smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)CCCc1cc2cc(Br)ccc2o1 36655 NJWJDHBNXGGJMQ-UHFFFAOYSA-N 283.121 3.603 0 40 CHAB Cc1ccc2cccc(N[C@H]3OC(=O)c4ccccc43)c2n1 100283 YLSVGZZXFDPHIK-KRWDZBQOSA-N 290.322 3.824 0 40 CHAB O=C(O)c1c2c(nc3ccc(Cl)cc13)CCCCC2 874869 WZAAWEVYOPZMFI-UHFFFAOYSA-N 275.735 3.855 0 40 CHAB COc1cnc(Oc2ccc3ccccc3c2)nc1C 1390153 YICFXVMNCLUDLP-UHFFFAOYSA-N 266.300 3.739 0 40 CHAB O=C(NCc1ccccc1)c1cc2c(F)cccc2s1 1390445 SZIUKPBPYGVKPB-UHFFFAOYSA-N 285.343 3.970 0 40 CHAB O=C(c1ccc(Cl)cc1)c1cnc2ccc(Cl)cn12 1400919 YFAGRSNFGFOUKN-UHFFFAOYSA-N 291.137 3.872 0 40 CHAB C[C@H]1O[C@@](C)(c2ccc(Cl)cc2)OCC1(C)C 1689340 VHDIAVQIUIBCRU-YGRLFVJLSA-N 254.757 3.974 0 40 CHAB CC1(C)COC(C(C)(C)c2ccc(C(=O)C3CC3)cc2)=N1 2539011 SOZLKVUYPDRIMD-UHFFFAOYSA-N 285.387 3.764 0 40 CHAB C[C@@H](Oc1ccccc1)c1ccnn1C(=O)c1ccccc1 3027692 MWCSAJIQOGGNNE-CQSZACIVSA-N 292.338 3.712 0 40 CHAB O=C(OCc1ccccc1)c1ccc2ccccc2n1 3237726 JCDSKAPUPVOXRF-UHFFFAOYSA-N 263.296 3.592 0 40 CHAB C[C@@H]1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1 3339808 APIRRWANGJCETR-SNVBAGLBSA-N 286.202 3.908 0 40 CHAB Cc1ccc(Nc2nc(Cl)c(C=O)s2)cc1 3888640 JDOIRYXVHWRKDR-UHFFFAOYSA-N 252.726 3.661 0 40 CHAB Fc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1 5996900 DRKLIPOLTNEOHO-UHFFFAOYSA-N 259.368 3.740 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccccc1 6309413 UMUUFHADBZBLDZ-XTZCOPOCSA-N 281.355 3.586 0 40 CHAB CCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2F)c1 7240900 YPZAXONBMUSGHY-LBPRGKRZSA-N 286.350 3.827 0 40 CHAB C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 8168258 HYWLIHCYWDZODF-AWEZNQCLSA-N 292.382 3.630 0 40 CHAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccccc1 8700982 DJDVCMJMJKSDTB-UHFFFAOYSA-N 277.364 3.564 0 40 CHAB in-vitro CCCCN(C)Cc1c(C)nc2ccc(F)cc2c1O 8717109 WDVJHDBBYLHIIS-UHFFFAOYSA-N 276.355 3.620 0 40 CHAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1O 8908851 JQMBOBFLHJPCFJ-UHFFFAOYSA-N 299.370 3.707 0 40 CHAB Cc1ccc(CCC(=O)Nc2cccnc2)cc1Cl 10742138 OPPUWGGEWGNJBY-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB Cc1cc(NC(=O)[C@H](C)Sc2ccccc2Cl)on1 10999772 HZIJKLLQLUPYNF-VIFPVBQESA-N 296.779 3.756 0 40 CHAB Cc1ccnc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 12527052 CXEDCZUGYHZBTA-UHFFFAOYSA-N 296.248 3.541 0 40 CHAB Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)on1 12700917 CAYOMFPYNVAOPL-UHFFFAOYSA-N 258.321 3.533 0 40 CHAB CCCc1c(C)[nH]c2c(Br)cccc2c1=O 13549636 BIMSTPBRVSNVOG-UHFFFAOYSA-N 280.165 3.552 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1ccc2nccnc2c1 15796381 ONHOREJVWUOINR-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB S=C(NCCc1cccs1)Nc1ccccc1Cl 16265604 BTVGPAJWCAWMSH-UHFFFAOYSA-N 296.848 3.931 0 40 CHAB O=C(O)c1ccc(N2CCCc3ccccc32)s1 16524767 FMMCXXXOHQHAJG-UHFFFAOYSA-N 259.330 3.531 0 40 CHAB Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccccc1 18129208 ZURKGCGPTUUAQN-UHFFFAOYSA-N 282.299 3.589 0 40 CHAB O=C(Nc1ccc(F)cc1)Nc1c(F)cccc1F 19075121 SWZLRJQMOINFOE-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB Cc1ccc(CN2C(=O)COc3ccc(Cl)cc32)cc1 19991478 DHYTWRIKFORNBU-UHFFFAOYSA-N 287.746 3.574 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1F 20041631 XTCWIYFUFRTMOB-LBPRGKRZSA-N 287.334 3.794 0 40 CHAB CCOC(=O)c1cccc(C(F)(F)F)c1Cl 21304751 SSWWINGYGIIJOP-UHFFFAOYSA-N 252.619 3.536 0 40 CHAB Nc1ncccc1C(=O)c1ccc(-c2ccccc2)cc1 21984032 FKUAEKAYDVXDPM-UHFFFAOYSA-N 274.323 3.562 0 40 CHAB CCc1c(C=O)c(C)n(-c2ccc(N(C)C)cc2)c1C 22122291 GFJAEFWTACGLCI-UHFFFAOYSA-N 270.376 3.535 0 40 CHAB Cc1ccc(Cn2cc(NC(=O)c3cccs3)cn2)cc1 27919937 YJRBAVYBVBIDRI-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB Cc1cc(C)cc(NCc2cccc3c2OCO3)c1 36167928 VGJPGJFXQGKKFE-UHFFFAOYSA-N 255.317 3.644 0 40 CHAB COc1ccc(OC)c(C(=O)CCC2CCCC2)c1 37353771 UDBGBRJVRLEYCC-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2N 39471385 SXFQJBRXNODJBV-SLMGBJJTSA-N 289.463 3.637 0 40 CHAB biogenic O=C(O)CSc1csc(-c2ccc(Cl)cc2)n1 41097471 CNXYPIKVGXLCTO-UHFFFAOYSA-N 285.777 3.640 0 40 CHAB CCC(CC)CNCc1ccccc1Br 42419170 VECFPEDHBPBRQC-UHFFFAOYSA-N 270.214 3.975 0 40 CHAB Cc1nc(C)c(C(=O)NC(C)(C)CC(C)(C)C)s1 42704647 QDUWUCDPXLXGJW-UHFFFAOYSA-N 268.426 3.705 0 40 CHAB COc1cc(Cl)ccc1C(=O)CCCCCC(=O)O 43214167 ORKJHSSYHABYGI-UHFFFAOYSA-N 284.739 3.566 0 40 CHAB CCCCC(=O)Nc1ccc(Sc2nncs2)cc1 48801450 KKWRNYBVDQWHMT-UHFFFAOYSA-N 293.417 3.818 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)Nc1cc(F)ccc1F 51354423 YQCYSHJUNXGBBH-UHFFFAOYSA-N 284.212 3.887 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1nc2cc(C(C)(C)C)ccc2o1 72311648 NAWDUQHIPUANJR-ONGXEEELSA-N 272.348 3.720 0 40 CHAB Fc1ccc(CN(CCc2cccnc2)CC2CC2)cc1 95959881 ZWUOXYJJRCFTSN-UHFFFAOYSA-N 284.378 3.675 0 40 CHAB CCN(Cc1cccc(OCCOC)c1)c1ccccc1 96003658 ZDWFGJCKZLAORC-UHFFFAOYSA-N 285.387 3.738 0 40 CHAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1cccs1 96409135 DSNOMAVXNYTEIX-SNVBAGLBSA-N 295.433 3.645 0 40 CHAB Clc1cc([C@H]2CCCO2)nc(-c2ccccc2)n1 96524137 GGTASKKEYCPGSM-GFCCVEGCSA-N 260.724 3.649 0 40 CHAB CCN1C(=O)/C(=C\c2ccc(OC)cc2)c2ccccc21 201378593 OUYSJLIMRQNUPX-VBKFSLOCSA-N 279.339 3.602 0 40 CHAB CNC(=O)c1ccc(Nc2cccc3ccccc23)c(N)c1 225421571 BUPJCWRXKSUZHA-UHFFFAOYSA-N 291.354 3.525 0 40 CHAB CCCOC(=O)c1cc(N)ccc1Nc1ccccc1 225462015 CZCZWMODHZRYBQ-UHFFFAOYSA-N 270.332 3.579 0 40 CHAB Cc1cccc(CC(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 253407257 VUCGDRRSSCAURA-QGZVFWFLSA-N 297.373 3.693 0 40 CHAB Cc1cc(-c2ccc(F)cc2)ncc1Br 536954359 PQFRUMJHCNZCCV-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB COC(=O)CCCCC(=O)c1cc(Cl)ccc1Cl 575360887 QRFBFQZQAYNQRS-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB CC(C)c1nc2ccccc2n1C1CN(CC(F)(F)F)C1 1888855895 UOTIURMDUADGHU-UHFFFAOYSA-N 297.324 3.579 0 40 CHAB COc1ccccc1OC(=O)c1ccc(-c2cnco2)cc1 58428509 GEIPHLFZEPOJDP-UHFFFAOYSA-N 295.294 3.569 0 40 CHAB Cc1cc(C(=O)NCc2cccc(Cl)c2)c(C)s1 7777519 ICCRDNDAKXDKNK-UHFFFAOYSA-N 279.792 3.948 0 40 CHAB O=C(Oc1cccc(Cl)c1Cl)c1ccncc1 7779075 KQKXUZQYQKNCNT-UHFFFAOYSA-N 268.099 3.608 0 40 CHAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Cl 862613 SPKPSVZKSHMXAY-UHFFFAOYSA-N 298.773 3.794 0 40 CHAB On1c(-c2ccccc2)nc2ccccc2c1=S 1650172 KNLKNECMXAABMH-UHFFFAOYSA-N 254.314 3.670 0 40 CHAB Cc1ccc(C(C)C)c(O)c1NC(=O)OC(C)C 1675244 ZYUMADVFYYQSON-UHFFFAOYSA-N 251.326 3.781 0 40 CHAB CC(C)c1noc(CN(C)[C@H](C)c2ccc(F)c(F)c2)n1 40489670 QWUHBHPCIAQDBI-SNVBAGLBSA-N 295.333 3.664 0 40 CHAB CCCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2745982 ZSQMZQCQQBWFBC-GFCCVEGCSA-N 283.799 3.722 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)NCc1cccnc1 40526112 JYXAUMCSPVAJEX-UHFFFAOYSA-N 283.375 3.835 0 40 CHAB COc1ccc2ccccc2c1-c1csc(N)n1 245607 XNLICULCURDRDU-UHFFFAOYSA-N 256.330 3.554 0 40 CHAB COC(=O)c1cc(-c2ccc(N)cc2)nc2ccc(C)cc12 4973765 XGYFDNSNXLZHJZ-UHFFFAOYSA-N 292.338 3.579 0 40 CHAB CCCOC(=O)c1ccccc1Nc1ccccc1 6246236 ZAUBAMQGTBEMET-UHFFFAOYSA-N 255.317 3.997 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(C)cc1 6945498 DMGGIBFRHXRCSW-CHWSQXEVSA-N 265.422 3.780 0 40 CHAB CCC[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 75093560 UFVIONFQDFIJFT-VIFPVBQESA-N 265.357 3.892 0 40 CHAB CC[C@@H]1CCCCN1C(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100629212 JTMQBKLVQMOPBR-FSPWUOQZSA-N 291.435 3.563 0 40 CHAB Cc1c(-c2csc(CO)n2)sc2ccccc12 75093217 ARULLUACULKGOY-UHFFFAOYSA-N 261.371 3.826 0 40 CHAB C[C@H](CCc1ccco1)NC(=O)N[C@@H]1CCc2ccccc21 32795205 UGEPHLDLEAMXBE-CXAGYDPISA-N 298.386 3.587 0 40 CHAB CC(C)Oc1ccc(C(=O)NC(C(C)C)C(C)C)cc1 8040767 JVOIZKVUSHDRRD-UHFFFAOYSA-N 277.408 3.884 0 40 CHAB CC(=O)c1ccccc1OCCOc1ccc(C)cc1 32958261 OKXMOYNXGUODRT-UHFFFAOYSA-N 270.328 3.655 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(Cl)cc1F 21887372 ADGYLGHJSBWVRB-ZWNOBZJWSA-N 298.789 3.586 0 40 CHAB C[C@H](NC(=O)c1ccc[nH]c1=S)c1ccccc1Cl 9996141 BLKYHIDTMIPFLW-VIFPVBQESA-N 292.791 3.889 0 40 CHAB Cc1cc(C)n(-c2c3c(nc4ccccc24)CCCC3)n1 550460 DHRLXSMJNKBHBM-UHFFFAOYSA-N 277.371 3.916 0 40 CHAB O=C(CCC1CCCC1)Nc1cnn(Cc2ccccc2)c1 28304873 PXGFBXOQKYMYOL-UHFFFAOYSA-N 297.402 3.840 0 40 CHAB NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1 11851479 HGZRYLOELFPGHT-UHFFFAOYSA-N 266.369 3.936 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ncccc1Cl 998887 NAXZWQJICBNNGI-ZDUSSCGKSA-N 290.750 3.531 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C=CC2=O 21992602 XGAZYVFYLADCPH-BBNZPBLFSA-N 286.415 3.655 0 40 CHAB CCCN(Cc1ccccc1)Cc1nnc(-c2ccco2)o1 58016202 PGIOWPPBPCZXEU-UHFFFAOYSA-N 297.358 3.742 0 40 CHAB CCCCCCSc1nc2ccccc2c(=O)[nH]1 2272508 RAUCLOWFYBAOBC-UHFFFAOYSA-N 262.378 3.596 0 40 CHAB CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](OC(=O)Nc1ccccc1)C2 12856147 IPYTWWJJNIJNSE-UAGQMJEPSA-N 289.375 3.971 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)c1cccc(OC(F)F)c1 18253870 MCDSWULZELNFOG-UHFFFAOYSA-N 299.223 3.819 0 40 CHAB Cc1cccc(NC(=O)CCn2ccc3ccc(F)cc32)n1 13730399 QWQLTVSBGZHYQI-UHFFFAOYSA-N 297.333 3.513 0 40 CHAB Cc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1 8550076 YNRJYAZETVKSFN-UHFFFAOYSA-N 255.405 3.909 0 40 CHAB CC[C@@H](C)NC(=O)CSCc1c(F)cccc1Cl 113932646 IILVYFGHQXTZBM-SECBINFHSA-N 289.803 3.627 0 40 CHAB C[C@H](NC(=O)C(C)(C)C)c1nc(C(C)(C)C)cs1 69702523 QAUSYXYHMVZMBG-VIFPVBQESA-N 268.426 3.664 0 40 CHAB Cc1cnc([C@@H](N[C@@H](C)CC2CC2)C2CC2)s1 89702393 ZIJNHJWXOBVNAI-ZANVPECISA-N 250.411 3.681 0 40 CHAB Cc1cccc(CN(Cc2cccc(C)n2)C[C@H]2C[C@H]2C)n1 97105624 GKWHMOGCBNAMHQ-RHSMWYFYSA-N 295.430 3.752 0 40 CHAB CC(C)c1cc(C(=O)N(C(C)C)C2CC2)nn1C(C)(C)C 84622457 SLERIKSYJAFELK-UHFFFAOYSA-N 291.439 3.775 0 40 CHAB Cc1cccc(NC(=O)/C=C/SCc2ccco2)c1O 95443693 YRSACRFTIHJYGB-VQHVLOKHSA-N 289.356 3.679 0 40 CHAB COc1ccccc1CNC(=S)c1cccc(Cl)c1 408576146 PWCVPQDBSMLHCE-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB Cc1nnc(CN(C)[C@@H](c2ccccc2Cl)C(C)C)o1 79097385 WJGYNXSJZGKMTR-OAHLLOKOSA-N 293.798 3.861 0 40 CHAB CSc1ncccc1[C@@H]1CCCN1CC(C)C 72216945 OFXOYTSIHFBOAY-ZDUSSCGKSA-N 250.411 3.596 0 40 CHAB CC(C)(C)Sc1ccc([C@@H]2CCCCN2)cn1 72217373 XXMIDJNGHNKXOI-LBPRGKRZSA-N 250.411 3.787 0 40 CHAB CCCCN1CCCC[C@H]1c1ccc(NC)nc1C 72219125 YMKFQLWRSKTWRP-HNNXBMFYSA-N 261.413 3.759 0 40 CHAB CCCn1c([C@@H](C)O)nc2cc(C(F)(F)F)ccc21 40417458 DURWYXZTQAOKMD-MRVPVSSYSA-N 272.270 3.518 0 40 CHAB CC(C)[C@H](C)NC(=O)/C=C/c1ccccc1Cl 225184477 OBISVNDQTYXFJY-FBOQAHMBSA-N 251.757 3.514 0 40 CHAB CC[C@@H](C)Oc1ccccc1[C@H](C)NC[C@@H]1CCCO1 225162627 AEGZFYICSOOIQG-ILXRZTDVSA-N 277.408 3.694 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccccc2C)C(=O)O)c1 225015984 IHPRQJFQQOWCID-SFHVURJKSA-N 298.382 3.995 0 40 CHAB C[C@H](c1nc2ccccc2n1C)N1CCCCCC1 82086975 CUKAMMGSYPIKMI-CYBMUJFWSA-N 257.381 3.510 0 40 CHAB COc1cccc2cc(C(=O)NCc3ccc(C)cc3)oc12 97074625 DBPGSJKBTHXNDJ-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB CCCCn1ccc(-c2cc(Cl)nc([C@@H](C)OC)n2)n1 96529129 XLTBZBVKIJKXAK-SNVBAGLBSA-N 294.786 3.501 0 40 CHAB C[C@H](Cc1csc2ccccc12)NC(=O)CC1CC1 575606065 JSBYVCWSTASIOX-LLVKDONJSA-N 273.401 3.749 0 40 CHAB C[C@H]1COCCN1Cc1ccc(-c2ccccc2)cc1 97221271 VZULWJPENBNBLQ-HNNXBMFYSA-N 267.372 3.574 0 40 CHAB CC[C@H](C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 13746371 XKESEHDQMVOIJM-STQMWFEESA-N 270.376 3.999 0 40 CHAB COc1ccc(CC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 18013860 GITDRWPXMLIDHL-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB CCN(C(=O)c1cnccc1C(F)(F)F)c1ccccc1 163215 MIJGJOSKJIWOFK-UHFFFAOYSA-N 294.276 3.767 0 40 CHAB O=C(NCc1ccccc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009030 RPNJSZPGDGEAGU-ROUUACIJSA-N 296.414 3.859 0 40 CHAB C[C@H]1[C@H](c2cccs2)N[C@@H](c2cccs2)[C@@H](C)[C@@H]1O 239562561 CPNYMZKNSCYTRC-DTIWESFOSA-N 293.457 3.828 0 40 CHAB O=C(NCc1ccsc1)c1ccc(Cl)c(Cl)c1 13698115 IACHBADRIHAKHF-UHFFFAOYSA-N 286.183 3.985 0 40 CHAB CCOC(=O)[C@@H]1C[C@H]1c1cc(Cl)ccc1Cl 1857793792 RGAVOGLXYWCFFO-WCBMZHEXSA-N 259.132 3.660 0 40 CHAB CC[C@@H]1c2ccsc2CCN1Cc1cc(C)no1 40013623 AYLJLQMRAALWEC-CYBMUJFWSA-N 262.378 3.554 0 40 CHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccco1 120589 UOCYBTIVVOTLIG-UHFFFAOYSA-N 270.332 3.522 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 364939 DECORNFPFKATTI-LSDHHAIUSA-N 283.371 3.640 0 40 CHAB O=C1CCCCC1(c1ccc(O)cc1)c1ccc(O)cc1 1724215 KQONZAITXOWBAD-UHFFFAOYSA-N 282.339 3.527 0 40 CHAB Cc1cc(NC(=O)Nc2cc(Cl)ccc2C)no1 1752973 RTAQQLOPPLBHHM-UHFFFAOYSA-N 265.700 3.589 0 40 CHAB Cc1ccc(OCCCC(=O)Nc2nccs2)c(C)c1 1913994 QDMYRIWMNFVNKG-UHFFFAOYSA-N 290.388 3.558 0 40 CHAB CCCCN1C(=O)N(c2ccccc2)[C@](C)(O)CC1(C)C 2271043 XEDKULSOWNZTTD-QGZVFWFLSA-N 290.407 3.606 0 40 CHAB CC1(C)CO[C@H](Cn2c3ccccc3c3ccccc32)O1 2315614 HJCHTYJANKXXRS-KRWDZBQOSA-N 281.355 3.946 0 40 CHAB Cc1ccc(C(=O)c2cccc(CN3CC=CC3)c2)c(C)c1 2515398 LTCXGOVYAFXIOU-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB Cc1ccccc1C(=O)c1ccccc1CN1CC=CC1 2515872 LITDJIRFMBLLEP-UHFFFAOYSA-N 277.367 3.598 0 40 CHAB CCC[C@H](CC)[C@@H](C(=O)OCC)C1=NC(C)(C)C[C@H](C)O1 5105509 DVDAUYKMYNRTGT-MELADBBJSA-N 297.439 3.978 0 40 CHAB CC[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccccc1 5599086 RWTWECQHRJDJRO-INIZCTEOSA-N 296.366 3.681 0 40 CHAB Cc1cccc(C)c1NC(=S)N1C[C@H](C)C[C@@H](C)C1 5656784 DSNIDPHHWIMMTM-VXGBXAGGSA-N 276.449 3.978 0 40 CHAB C1CCC(c2nnc3n2N=C2CCCC[C@H]2S3)CC1 6087159 ZMJNNFKVQIETOK-GFCCVEGCSA-N 276.409 3.578 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)c1c(C)noc1C 6307185 TTZVADOQTKPEEG-UHFFFAOYSA-N 294.738 3.514 0 40 CHAB CCC(CC)C(=O)Nc1nnc(C(CC)CC)s1 6396258 UDNFAKJBDISYKM-UHFFFAOYSA-N 269.414 3.816 0 40 CHAB O=C(OCc1ccc(Br)cc1)c1ccccc1 6595501 ZXNNWLRBSJBCPS-UHFFFAOYSA-N 291.144 3.806 0 40 CHAB CCCCN1C(=O)S[C@H](Cc2ccc(Cl)cc2)C1=O 6647728 BYYLTSWCWFXTJH-GFCCVEGCSA-N 297.807 3.747 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc2ccccc2n1 6788216 NMJNBKGCRDZDGL-GXTWGEPZSA-N 268.360 3.543 0 40 CHAB CCCc1cc(C(=O)NCc2ccco2)sc1C 7038719 GNLQOJYZALZIRB-UHFFFAOYSA-N 263.362 3.532 0 40 CHAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1 7242385 BWZITBPKNMMPEF-CYBMUJFWSA-N 280.371 3.614 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cccc(F)c1 7558638 KYVXLZGKGLCEAG-MFKMUULPSA-N 266.385 3.691 0 40 CHAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(F)cc1 10221288 DOSJNHOCZGODPI-UHFFFAOYSA-N 283.346 3.677 0 40 CHAB CC1(C)C[C@H](NC(=O)c2ccccc2)c2ccccc2O1 10542949 ZWEUBWAAOCADSK-HNNXBMFYSA-N 281.355 3.719 0 40 CHAB Cc1cc(NC(=O)c2ccc3c(c2)CCCC3)n(C(C)C)n1 11695180 RAHAVIWDOIZMCV-UHFFFAOYSA-N 297.402 3.904 0 40 CHAB C[C@H]1CCCN(C(=O)CSCc2ccccc2Cl)C1 13671198 WFKISEUMMONIDT-LBPRGKRZSA-N 297.851 3.832 0 40 CHAB COc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1C 13972000 AJRHPJXDRIIHMY-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1cc(Cl)ccc1F 14373868 RKSRJFXDCOLVIC-OAHLLOKOSA-N 289.737 3.896 0 40 CHAB Cc1ccc(C)c(Cc2ccc(C)cc2[S@](=O)O)c1 18194776 JDFCVTMYLAUQTA-UHFFFAOYSA-N 274.385 3.783 0 40 CHAB COc1cccc(NC(=O)CCOc2cccc(C)c2C)c1 24483241 VVFFZYPELGTBRP-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB CSc1ccc([C@H](C)NC(=O)NC2CCCC2)cc1 31085050 OKQGAYFGAREKQM-NSHDSACASA-N 278.421 3.711 0 40 CHAB Cc1cnc2ccc(Br)cc2c1Cl 32501173 QKOYLFRFLKGYFW-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB CCc1cccc(CC)c1NC(=O)OCC(F)(F)F 32628838 VFGCFMJWJULUED-UHFFFAOYSA-N 275.270 3.922 0 40 CHAB in-vitro CCc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1 32902270 KASYVUYUMSOWPX-QGZVFWFLSA-N 280.371 3.621 0 40 CHAB O=C(NCCc1cccc2ccccc12)C1CCCC1 32915107 GOWHBHUSJHNSBG-UHFFFAOYSA-N 267.372 3.689 0 40 CHAB C=CCN(CC=C)c1ccc(Br)cc1 34103128 ASCBNTWCZFWIKZ-UHFFFAOYSA-N 252.155 3.628 0 40 CHAB CC(C)NC[C@]1(C)C[C@@H](NC(C)C)CC(C)(C)C1 39245130 IFJYEFKWFQAKDZ-GOEBONIOSA-N 254.462 3.567 0 40 CHAB Cc1ccc(NC(=O)NCc2ccc(C)n2C)c(Cl)c1 40023896 YYKFSOYPZOVKMB-UHFFFAOYSA-N 291.782 3.617 0 40 CHAB CSc1ccccc1NC(=O)c1n[nH]c2ccccc12 42065567 OWFOQYBNHMKIKP-UHFFFAOYSA-N 283.356 3.537 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC1CCCCC1 44765819 MIMXHKXNOOMBKF-QGZVFWFLSA-N 289.419 3.910 0 40 CHAB Cc1cc([C@@H](C)NC(=O)Nc2cccnc2Cl)c(C)o1 49396080 QIDNJCANZMJDHP-SECBINFHSA-N 293.754 3.828 0 40 CHAB Cc1nc(N(C)C)ccc1[C@H]1CCCN1Cc1ccccc1 72218730 ZXLPGXHOXOAMHD-GOSISDBHSA-N 295.430 3.793 0 40 CHAB CC[C@H](O)c1cnc(N2CCc3ccccc32)c(C)c1 72222901 RLDIKAYCMVXYME-INIZCTEOSA-N 268.360 3.528 0 40 CHAB CC[C@H](O)c1ccc(SCc2ccccc2)nc1 72225410 MJRHEJAVHYDECY-AWEZNQCLSA-N 259.374 3.817 0 40 CHAB FC(F)(F)c1cc(Cl)ccc1OC[C@H]1CCCO1 72233601 VAVZHVQREZLGPJ-SECBINFHSA-N 280.673 3.917 0 40 CHAB CC(C)Oc1cc(C(=O)Nc2ccncc2)cc2occc12 72240200 JSYYHNOYJWGYBT-UHFFFAOYSA-N 296.326 3.867 0 40 CHAB c1cc([C@H]2CCCN2C2CCCCC2)nc(-n2ccnc2)c1 72378719 YAYSPXXMOLNEMO-QGZVFWFLSA-N 296.418 3.737 0 40 CHAB CC(=O)C[C@@H](C)Sc1ccccc1Br 82793906 QFYDPDLTJNVDER-SECBINFHSA-N 273.195 3.909 0 40 CHAB C/C=C/CSc1nnc(C2CC2)n1Cc1ccccc1 89597911 YKPCHNUBWHVITK-NSCUHMNNSA-N 285.416 3.872 0 40 CHAB O=C(Nc1cc(F)ccc1Cl)N1C[C@@H]2CCC[C@H]2C1 89769660 BKNHAPUAUGSLOI-UWVGGRQHSA-N 282.746 3.743 0 40 CHAB CC(C)c1nnc(COc2ccc(-c3ccccc3)nc2)o1 97046875 WBKPEMJUJATFPW-UHFFFAOYSA-N 295.342 3.834 0 40 CHAB Cc1c(CNc2ccc(Oc3ccccc3)cn2)cnn1C 97094822 YRDCGIOLILXSNW-UHFFFAOYSA-N 294.358 3.528 0 40 CHAB CC(C)=CCC[C@H](C)N[C@H]1CCO[C@@]2(CCSC2)C1 110704180 HXNWWUFIHQQJDH-JYJNAYRXSA-N 283.481 3.766 0 40 CHAB CCOC(=O)c1nc(Nc2cccc(F)c2)sc1C 161594097 PJRCKLAMDOWFEZ-UHFFFAOYSA-N 280.324 3.511 0 40 CHAB CC(C)(C)OC(=O)CCC(=O)Nc1cccc(C(F)F)c1 192300770 RSGCYKVMDVTEJI-UHFFFAOYSA-N 299.317 3.685 0 40 CHAB CC[C@@H](C)Oc1ccc2c(c1)c(CN)c(C)n2CC 223757312 COZINERCGYRCBH-LLVKDONJSA-N 260.381 3.606 0 40 CHAB CCN1c2cc(F)c(C(=O)O)cc2[C@@H](C)CC1(C)C 223778553 BOMMBKHHKSXVJA-VIFPVBQESA-N 265.328 3.636 0 40 CHAB O=C(Cc1ccc(Cl)cc1F)Nc1cccc(F)c1 224542729 AULJLDSAOZIHPE-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB Cc1cc(C)c(C)c(O[C@H](Cc2ccccc2C)C(=O)O)c1 225016018 IHPRQJFQQOWCID-GOSISDBHSA-N 298.382 3.995 0 40 CHAB CC(C)Oc1ccc(NC(=O)C(C)(C)c2ccccc2)cn1 225943778 AIAQLDMYIFYUQW-UHFFFAOYSA-N 298.386 3.785 0 40 CHAB F[C@H]1[C@](F)(Cl)[C@](F)(Cl)[C@@](F)(Cl)[C@]1(F)Cl 253475997 FQFOJXUQZIYKKN-APMUVNQYSA-N 297.865 3.957 0 40 CHAB CC[C@@H](Cl)C(=O)c1cc(F)c(Cl)c(F)c1 382675669 PNRVRAVLDWXSGI-ZCFIWIBFSA-N 253.075 3.818 0 40 CHAB C[C@H]1CCC[C@@H](OCc2nnc(-c3ccccc3)o2)C1 521393740 RJHNFFLVOQOQJV-GXTWGEPZSA-N 272.348 3.832 0 40 CHAB CC(=O)c1cc(Br)c(Cl)cc1Cl 575678936 MAASYNJUKBGFDP-UHFFFAOYSA-N 267.937 3.959 0 40 CHAB Oc1nc2cccc(Cl)c2c(O)c1-c1ccccc1 685936965 FJHXZTZSUNJVKF-UHFFFAOYSA-N 271.703 3.966 0 40 CHAB CSc1nc(-c2ccc(F)cc2)oc1SC 1740816561 MIBNZLYOEVMEPZ-UHFFFAOYSA-N 255.339 3.925 0 40 CHAB Cc1cccc(Nc2cc(Cl)nc(N(C)C)n2)c1C 1626 GMMWNTHAIOJBSD-UHFFFAOYSA-N 276.771 3.556 0 40 CHAB in-man C[C@H](NC[C@H]1CC=CCC1)c1ccc(N2CCCC2=O)cc1 79064255 SEDKIYSEGBUOIX-HOTGVXAUSA-N 298.430 3.820 0 40 CHAB Oc1cc(-[n+]2ccc3ccccc3c2)c(O)c2ccccc12 1672890 ROJXOZVHCBXEEO-UHFFFAOYSA-O 288.326 3.681 0 40 CHAB CCCCSc1nnc(-c2ccc(OC)cc2)n1CC 4130396 XJUSDIQKXRXRAY-UHFFFAOYSA-N 291.420 3.866 0 40 CHAB Cc1nn2c(S)c3c(nc2c1-c1ccccc1)CCCC3 6167213 ZWUKSZBFUCRRHM-UHFFFAOYSA-N 295.411 3.872 0 40 CHAB FC(F)(F)c1cc(NC(=S)NC2CC2)ccc1Cl 8377489 KKEXGENLDMRFRY-UHFFFAOYSA-N 294.729 3.808 0 40 CHAB Cc1cc(NC(=O)CS[C@@H](C)c2ccccc2F)on1 58245039 NDSNTSQHPGDMBV-JTQLQIEISA-N 294.351 3.555 0 40 CHAB O=C(CCc1ccccc1Cl)NC1CCCCC1 10457746 XSGSTLUTSYXRLU-UHFFFAOYSA-N 265.784 3.722 0 40 CHAB CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1)C(C)C 103933560 JIQMCMRDLLYYJY-UHFFFAOYSA-N 273.298 3.964 0 40 CHAB CCOC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 3072084 VFCHCZNMVSOESV-UHFFFAOYSA-N 284.315 3.507 0 40 CHAB Cc1nnc(SCc2coc(-c3cccs3)n2)s1 12592645 HVRDDBCKTPKXQE-UHFFFAOYSA-N 295.414 3.855 0 40 CHAB CCN(CC)c1ccc(C(=O)Nc2nc(C)cs2)cc1 3455823 MSHXGPIVVSHAOB-UHFFFAOYSA-N 289.404 3.550 0 40 CHAB Cc1ccnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 9316440 IBXFHLRWIBRZLL-CHWSQXEVSA-N 286.762 3.786 0 40 CHAB Cc1nn(COc2ccccc2-c2ccccc2)c(C)c1N 4298924 LUJZBNNHSTZGQI-UHFFFAOYSA-N 293.370 3.786 0 40 CHAB NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 6092777 UVLMDCRXONVSBL-UHFFFAOYSA-N 280.154 3.611 0 40 CHAB Cc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 6215319 PWDRCRZKQHYTSF-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C(Nc1cccc(CO)c1)c1ccc2ccccc2c1 8166270 OULGEBYZBWEFMY-UHFFFAOYSA-N 277.323 3.584 0 40 CHAB S=c1[nH]nc(CSCc2ccccc2)n1C1CC1 17007866 QCAOMBFSWZAQBE-UHFFFAOYSA-N 277.418 3.709 0 40 CHAB CCOc1cccc(C[S@](=O)[C@@H](C)c2cccs2)n1 97085324 XVXFOBQVAHRAOD-JEOXALJRSA-N 295.429 3.552 0 40 CHAB CCOc1ccccc1NC(=O)c1cnc(C(C)C)nc1C 75437027 FGIHPPDYWUWLDE-UHFFFAOYSA-N 299.374 3.559 0 40 CHAB Cc1ccc(C(=O)c2ccccc2Br)cc1 34976821 PGNXIGKGMHOQCA-UHFFFAOYSA-N 275.145 3.989 0 40 CHAB CC[C@H](O)c1cnc(N(C)c2ccccc2)cc1C 72223343 LQTQZWWYHKICQB-HNNXBMFYSA-N 256.349 3.601 0 40 CHAB CCCCNc1ncccc1[C@@H]1CCCCN1CC 72213614 GTQNORYTBPQAAV-HNNXBMFYSA-N 261.413 3.841 0 40 CHAB CC[C@@H](C(=O)Nc1ccncc1C)c1ccccc1 71885871 UEBYSMNKHYRURL-CQSZACIVSA-N 254.333 3.522 0 40 CHAB Clc1ccc(Cc2cccc([C@@H]3CCCNC3)n2)cc1 72343735 JVQGUQUSJLGCGB-CQSZACIVSA-N 286.806 3.793 0 40 CHAB CCN1CCO[C@H](c2ccccc2)[C@@H]1c1ccccc1 31961917 IURFUVWDJAOBFS-ZWKOTPCHSA-N 267.372 3.821 0 40 CHAB Cc1sc2c([C@H]3CCCN(C(C)C)C3)nc(C)n2c1C 72367726 LWUDJBFLPAXBCU-AWEZNQCLSA-N 291.464 3.909 0 40 CHAB O=CN1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 72217228 PDPKBANZJIWUNW-HNNXBMFYSA-N 290.432 3.800 0 40 CHAB CC[C@@H](C)c1cc(Cl)ccc1O[C@@H]1CCNC1 42775433 URZNKYWYDYHNAF-ZYHUDNBSSA-N 253.773 3.594 0 40 CHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C(C)(C)C 225658442 IXVVUEDYNKFSMK-ZDUSSCGKSA-N 275.392 3.760 0 40 CHAB CCCOC(=O)c1ccc(Nc2ccccc2C)c(N)c1 225416556 MHYTWVPKLXKDDX-UHFFFAOYSA-N 284.359 3.888 0 40 CHAB CCc1cccc(NC(=O)NCc2cc(F)cc(F)c2)c1 40098817 MSFVFWWPECFFNU-UHFFFAOYSA-N 290.313 3.849 0 40 CHAB COC(C)(C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225600104 ANRRHUVHVBYIKK-UHFFFAOYSA-N 291.391 3.680 0 40 CHAB Cc1nnc(CSCc2ccc(F)c(Cl)c2)o1 190200912 APYOPQZLAUSETF-UHFFFAOYSA-N 272.732 3.604 0 40 CHAB Cc1ccc(CO)c(OCc2ccc(F)cc2)c1C 95095200 AIGRRAQGUOGOGS-UHFFFAOYSA-N 260.308 3.514 0 40 CHAB O=C(c1ccco1)N1CCC(=Cc2ccccc2)CC1 98018723 YGTPAAMEZZUIIU-UHFFFAOYSA-N 267.328 3.599 0 40 CHAB CCOC(=O)c1ccc2c(c1)[C@H](C)CC(C)(C)N2C 616590656 JJVURQZDIXFABL-LLVKDONJSA-N 261.365 3.585 0 40 CHAB CCC(CC)C(=O)c1ccc(Cl)cc1C(=O)OC 575362001 TXZFIEDHGFUJLW-UHFFFAOYSA-N 268.740 3.746 0 40 CHAB CCc1c[nH]c2ccc(SC(F)(F)F)cc2c1=O 685937942 CJVGMIOJOHQVCU-UHFFFAOYSA-N 273.279 3.702 0 40 CHAB CC(C)(C)c1cc(CO)c2ccc(Br)cc2n1 685937591 SNPUNWOCHVRQGQ-UHFFFAOYSA-N 294.192 3.787 0 40 CHAB Clc1ccc(CN(Cc2nccs2)C2CC2)cc1 84398159 ZNVNNPZGEZHEEK-UHFFFAOYSA-N 278.808 3.961 0 40 CHAB CCC1CCC(NC[C@@H](O)c2ccc(C)cc2)CC1 95365099 ORVLGQVEUDAFFX-BDVYOWHSSA-N 261.409 3.587 0 40 CHAB CC(C)(C)CC(=O)NCC(c1ccco1)c1ccco1 952964462 BXOQODNQECKNPU-UHFFFAOYSA-N 275.348 3.557 0 40 CHAB CSc1ccc([C@@H]2NCCc3ccccc32)cc1 19772825 RITXFPJDTKCQJJ-INIZCTEOSA-N 255.386 3.644 0 40 CHAB Cc1ccc2c(Cl)c(C)c(N3CCCCC3)nc2n1 19897382 FAVTWGFHIVCUTG-UHFFFAOYSA-N 275.783 3.890 0 40 CHAB Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1F 169831114 AJAHXKXZNWHOJU-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CC(=O)SC[C@H](C)[C@H]1CC[C@@H](C)[C@@H](SC(C)=O)C1 4706042 HGDCJIHXSWQFGW-OAACRXHESA-N 288.478 3.987 0 40 CHAB O[C@@H](CSc1ncnc2sccc12)c1ccccc1 10340936 WACIJZRCZKMZEV-LBPRGKRZSA-N 288.397 3.517 0 40 CHAB CC(C)CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 40946578 CWTIRCRJELTHCY-ZDUSSCGKSA-N 277.408 3.524 0 40 CHAB CC[C@H](C)C(=O)c1ccc(OC(F)(F)F)c(F)c1 575360810 OOFCILOUMRAEFI-ZETCQYMHSA-N 264.218 3.953 0 40 CHAB O=C(NCCc1ccc(-c2ccsc2)s1)C1CC1 575414011 IWTGZDHMHZZYCZ-UHFFFAOYSA-N 277.414 3.545 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(OC2CCCC2)c1 32769529 BMCWJVPACDUKBB-UHFFFAOYSA-N 261.365 3.993 0 40 CHAB COc1ccc2c(NCc3ccc(C)cc3)ncnc2c1 41470181 LEOPWJYEFMIPOH-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB CCOc1ccc(C(=O)Oc2ccc(CC)cc2)cc1 1017090 UCEWJBYMAFXPJC-UHFFFAOYSA-N 270.328 3.867 0 40 CHAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](C)CC3=O)cc1 20101617 YJCWEUGNJZUXOV-NSHDSACASA-N 295.386 3.856 0 40 CHAB O=C(Nc1ncccc1OCC1CCCCC1)C1CCC1 58421191 ZPSBKLCNKLJQPF-UHFFFAOYSA-N 288.391 3.779 0 40 CHAB Cc1ccc(NCc2ccc(O)c3ncccc23)cc1 576833 PVBOZCBROHHDLB-UHFFFAOYSA-N 264.328 3.861 0 40 CHAB C[C@]1(Cc2ccccc2)OC[C@H](c2ccccc2)O1 1685999 QZMPOBJTQZEMJT-SJORKVTESA-N 254.329 3.733 0 40 CHAB c1ccc(N2N=N[C@H]3CCC[C@]32N2CCCCC2)cc1 1720275 ZWPIBSWGWNALCM-JKSUJKDBSA-N 270.380 3.609 0 40 CHAB CCc1nc2ccccc2c(=O)n1-c1ccccc1Cl 130258 BMCZGFLRSZOBQY-UHFFFAOYSA-N 284.746 3.602 0 40 CHAB O=C(CCCc1nc2ccccc2o1)Nc1ccccc1F 31810500 XBNZGWUCFDPAII-UHFFFAOYSA-N 298.317 3.928 0 40 CHAB CCCCOc1ccc(CSC(=N)N)cc1Cl 4713685 IONZMLSFEITLRK-UHFFFAOYSA-N 272.801 3.646 0 40 CHAB in-vitro C[C@H]1CCC[C@@H](NC(=O)COc2ccc(Cl)cc2)[C@@H]1C 6435975 ZHGZWBNIFFCUSW-YWPYICTPSA-N 295.810 3.660 0 40 CHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 6931801 HIKMXMNNDVJVQY-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB C[C@@H]1CCCN(C(=S)Nc2ccc(Cl)cc2)C1 7558787 KDQPEYKKMDHZLS-SNVBAGLBSA-N 268.813 3.769 0 40 CHAB COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 361977 PTEBQUFBDQXFFF-UHFFFAOYSA-N 261.708 3.601 0 40 CHAB Cc1cccc(C)c1NC(=O)c1sc(Cl)nc1C 385259 OBSARIGTIAKPKM-UHFFFAOYSA-N 280.780 3.974 0 40 CHAB Cc1ccc(CCC(=O)N[C@H](C)c2ccccc2)cc1 10335401 OLIWLYAKYYSXCH-OAHLLOKOSA-N 267.372 3.805 0 40 CHAB O=C(O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 32918498 PJYRKPKKJRAYAM-UHFFFAOYSA-N 292.294 3.634 0 40 CHAB CCOc1ccc(NC(=O)N2CCc3ccccc32)cc1 2532764 IERXPEVRBKPSEJ-UHFFFAOYSA-N 282.343 3.680 0 40 CHAB Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 37064964 OCNQNARPBGMJRE-UHFFFAOYSA-N 272.201 3.614 0 40 CHAB in-vitro Cc1ccc2c(c1)C(=O)[C@@H]1CCN(c3ccccc3)C1=N2 100255539 IWAKVGDABZGZLT-AWEZNQCLSA-N 276.339 3.748 0 40 CHAB in-vitro CCc1ccccc1NC(=O)c1cc(F)cc(F)c1 2650801 OQSYIHVBEJECLT-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB CCCC[C@H](CC)CNC[C@@H](O)COc1ccc(C)cc1 2647025 KYRXGNDXTRQLMI-DLBZAZTESA-N 293.451 3.541 0 40 CHAB Cc1noc(C2CCN([C@@H](C)CCc3ccccc3)CC2)n1 53618217 WXSYJTKNJBAICT-AWEZNQCLSA-N 299.418 3.579 0 40 CHAB CC(C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 23170955 NOBHVNFMGGPRHI-UHFFFAOYSA-N 264.756 3.597 0 40 CHAB Clc1cc(Cl)c(O[C@H]2CCCNC2)cc1Cl 42776154 WVGAVWOXADKOFA-ZETCQYMHSA-N 280.582 3.778 0 40 CHAB Cc1cc(NC(=O)[C@H](C)SCc2ccccc2C)no1 24080768 OAXNQYFQURUFRM-LBPRGKRZSA-N 290.388 3.552 0 40 CHAB O=C(O)c1cccc(Nc2ccnc3c(F)cccc23)c1 26507775 VJCXNTSLNHTTMV-UHFFFAOYSA-N 282.274 3.816 0 40 CHAB O=c1ccc(-c2ccccc2Cl)nn1Cc1ccccc1 44892261 MOONSYJOWKMFJF-UHFFFAOYSA-N 296.757 3.612 0 40 CHAB CC(C)(C(=O)Nc1ccc(Cl)cn1)c1ccccc1 26511385 SFVFEKMUKHLASE-UHFFFAOYSA-N 274.751 3.651 0 40 CHAB C[C@H](Sc1ncnc2ccccc12)C(=O)c1ccccc1 3351118 NHDDBABKFPNVHH-LBPRGKRZSA-N 294.379 3.993 0 40 CHAB COc1ccc(-c2nnc(COc3cccc(C)c3)o2)cc1 12749063 GVBJHZUVOXWLJS-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1 3449461 ZWGVTNWJDQHVGT-GFCCVEGCSA-N 257.308 3.625 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1 5378164 NGPOYEOFWWEJEJ-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB CC(C)c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2 6493137 OBTGYWKIIXKBPO-UHFFFAOYSA-N 283.371 3.545 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CN[C@H]1CCCC[C@@H]1C 6604160 HJCZAXHJTSFZEY-FZMZJTMJSA-N 294.826 3.755 0 40 CHAB Cc1ccc(NC(=O)/C=C/c2ccco2)c(Cl)c1 6650642 PHJMBHNPHJCBBL-FNORWQNLSA-N 261.708 3.893 0 40 CHAB C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc2[nH]ccc2c1 71803324 AFBHWUGDUTYGFB-LBPRGKRZSA-N 294.358 3.788 0 40 CHAB COc1cccc([C@@H](C)NCCc2ccccc2)c1 19919874 ISQOEQSIAKIDNY-CQSZACIVSA-N 255.361 3.589 0 40 CHAB O=C(c1ccc(Br)c(F)c1)C(F)(F)Cl 307672661 YTRHUIDRAQFTNB-UHFFFAOYSA-N 287.462 3.603 0 40 CHAB CCc1noc(CS[C@H](C)c2cccs2)n1 71915142 XZKZUDSXZNAKOD-MRVPVSSYSA-N 254.380 3.688 0 40 CHAB CCNC(=O)c1ccc(C)c(NCCCc2ccccc2)c1 75572523 AIKOAQFDEOZRFO-UHFFFAOYSA-N 296.414 3.789 0 40 CHAB CCNc1ccc(Cl)cc1NC(=O)c1cc[nH]c1C 97048580 SVPOFBNFWYUDKH-UHFFFAOYSA-N 277.755 3.661 0 40 CHAB C[C@@H]1CCCN([C@@H](CN)c2cc(Cl)cc(Cl)c2)C1 37424743 FNAYOLSGFCLSAS-YGRLFVJLSA-N 287.234 3.725 0 40 CHAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CCC2=O 1041186 JRIZOGLBRPZBLQ-QFXBJFAPSA-N 272.388 3.697 0 40 CHAB biogenic Cc1ccc(O[C@@H](C)C(=O)N2CCc3ccccc32)cc1C 219508864 JNSQCGCTWLETNQ-HNNXBMFYSA-N 295.382 3.660 0 40 CHAB CC(C)N1CCCC[C@@H]1c1cccnc1NC1CCC1 72213918 JEQSLBQJRUUSGE-MRXNPFEDSA-N 273.424 3.981 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccs1 34436124 XVMDUTAPDBTAAL-SNVBAGLBSA-N 253.367 3.820 0 40 CHAB Fc1ccccc1CN1CC[C@H](c2nc3ccccc3o2)C1 35446531 YAHYYWBITCKKAW-AWEZNQCLSA-N 296.345 3.956 0 40 CHAB biogenic,in-vitro O=C(c1ccc(F)c(Cl)c1)c1cc(F)ccc1F 62791741 FODCJLQWMRGTAD-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB O=Cc1cn(C(=O)c2ccccc2Cl)c2ccccc12 49881216 AHJLHCUBZRMGHK-UHFFFAOYSA-N 283.714 3.796 0 40 CHAB N=C(N)c1c(Cl)c(Cl)cc(Cl)c1Cl 199742559 BYSXBNWXLMHYRE-UHFFFAOYSA-N 257.935 3.584 0 40 CHAB Cc1ccc(C(=O)NCCOc2cc(C)ccc2C)c(C)c1 224046407 ROIBEGAHLZIIIP-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB CCc1cc(N)cc(Br)c1N1CCCCC1 226315265 URLJZMJLHMMRLS-UHFFFAOYSA-N 283.213 3.584 0 40 CHAB Clc1cccc(OCCC2OCCCO2)c1Cl 89064055 KTSXULUXODJFAJ-UHFFFAOYSA-N 277.147 3.525 0 40 CHAB C[C@H](O)c1nc2ccc(Cl)cc2n1Cc1ccccc1 40417828 RLSRMENLMMLDTK-NSHDSACASA-N 286.762 3.791 0 40 CHAB CC[C@@H](C(=O)OC)N1c2ccc(C)cc2C(C)=CC1(C)C 223198893 QYFBZYBAWCIVEV-HNNXBMFYSA-N 287.403 3.949 0 40 CHAB CCCC(=O)c1ccc(OC(F)(F)F)c(F)c1 95740150 QFLLLEJFCMRPGK-UHFFFAOYSA-N 250.191 3.707 0 40 CHAB C[C@@H]1CCCN([C@H](CN)c2cc(Cl)cc(Cl)c2)C1 252469983 FNAYOLSGFCLSAS-QMTHXVAHSA-N 287.234 3.725 0 40 CHAB Cc1ccccc1CCC(=O)NCc1cncc(C2CC2)c1 575606985 XGDGRIRSMWUIMZ-UHFFFAOYSA-N 294.398 3.516 0 40 CHAB Cc1ccc([C@H](C)C(=O)Nc2cncc(Cl)c2C)o1 833142115 OAZGZKLKFORCFH-JTQLQIEISA-N 278.739 3.687 0 40 CHAB C[C@@H]1COCCN1Cc1ccc(-c2ccccc2)cc1 97221269 VZULWJPENBNBLQ-OAHLLOKOSA-N 267.372 3.574 0 40 CHAB O=C1O/C(=C/c2c[nH]c3ccccc23)c2ccccc21 334600 FXDIAIYWNITYLJ-CXUHLZMHSA-N 261.280 3.836 0 40 CHAB COc1ccc(NC(=O)COc2ccccc2C(C)C)cc1 5414198 SNGXHBYPHHKEEI-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1ccnc(Cl)c1 19813795 CRIBSQBXOXZJKO-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB O=C(O)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1 19844788 CCEZKEOIHLDIGL-UHFFFAOYSA-N 282.221 3.542 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 10925139 SBASDLCHOVXIAQ-UHFFFAOYSA-N 294.354 3.596 0 40 CHAB CC(=O)c1ccccc1OCCSc1nc(C)cs1 35184878 OTXWULHQKJMPHV-UHFFFAOYSA-N 293.413 3.825 0 40 CHAB O=C(CC1CCCCC1)N1CC[C@H](c2ccccc2)C1 38566891 GRFXBQPUESHYFX-KRWDZBQOSA-N 271.404 3.973 0 40 CHAB COC(=O)c1cccc(NCc2ccc(SC)cc2)c1 36804694 BSJXUASMZAEUOW-UHFFFAOYSA-N 287.384 3.807 0 40 CHAB Cc1ccccc1-n1ccnc1SCc1ccccn1 40051852 VLXTWGTXBOMEEM-UHFFFAOYSA-N 281.384 3.868 0 40 CHAB Cc1ncc([C@@H]2CCCN2C)c2c1[nH]c1ccccc12 47467 DIZAFWUMCZPYGF-HNNXBMFYSA-N 265.360 3.791 0 40 CHAB biogenic,in-vitro CCCC[C@@H](CC)[C@H](O)P(=O)(OCC)OCC 1600146 LYZYTTBSSWSJDI-VXGBXAGGSA-N 266.318 3.787 0 40 CHAB CC(C)c1ccc(NCn2nnc3ccccc32)cc1 6707905 IJHGTMXKORBIGB-UHFFFAOYSA-N 266.348 3.624 0 40 CHAB Cc1ccc(C)c(C(=O)c2cccc(CN3CC=CC3)c2)c1 2515399 IYMNGEIXCUOANE-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)C[C@@H]1C=CCC1 32781429 KYBDNXDWLBMJJA-NWDGAFQWSA-N 261.390 3.550 0 40 CHAB CC(C)(C)c1csc(COc2ccc(C(=O)O)cc2)n1 11566541 CZZSSDXLXPZRMA-UHFFFAOYSA-N 291.372 3.718 0 40 CHAB COc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 8499182 UOFSNCMIZHEGTB-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB CC(C)(C)C(=O)COc1cccc(Cl)c1Cl 32859674 KFPFKNCZWBXSHE-UHFFFAOYSA-N 261.148 3.987 0 40 CHAB Cc1ccc(C)c(CN2C(=O)[C@H](C)CNc3ccccc32)c1 21793443 DTKDDPOYXGTGIF-OAHLLOKOSA-N 294.398 3.898 0 40 CHAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 21933440 IWHWEJUZSJFRPC-QWHCGFSZSA-N 269.344 3.966 0 40 CHAB CCCC[C@H](CC)C(=O)N1CCN(c2ccccc2)CC1 2737771 FGRKJHNXUMUNTM-INIZCTEOSA-N 288.435 3.552 0 40 CHAB FC(F)(F)c1cnc2c(-c3ccccc3)onc2c1 1391630 QDCKQMHGEHIVIP-UHFFFAOYSA-N 264.206 3.909 0 40 CHAB COc1cccc(C[C@H]2CCCc3ccccc3[C@@H]2O)c1 43659842 IXZRDQTZBDQQAZ-VQIMIIECSA-N 282.383 3.924 0 40 CHAB CC1(NC(=O)Nc2ccc(Br)cc2)CCCC1 58324823 QZRYSTSNGNAWSA-UHFFFAOYSA-N 297.196 3.903 0 40 CHAB CCCc1nc2oc3c(OC)ncnc3c2c2c1CCCC2 2208708 BQIINOBXECUZCO-UHFFFAOYSA-N 297.358 3.611 0 40 CHAB CCOC(=O)c1sc(Nc2ccc(C)cc2)nc1C 16778944 DYHDIGUPFAETRH-UHFFFAOYSA-N 276.361 3.680 0 40 CHAB O=C(NCc1ccccn1)c1cc(-c2ccccc2)cs1 9118010 WBVIBHQMCYMGTK-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB Cc1nc(/C=C/C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cs1 12918725 QNBOVGYNAWGSGP-JTMKOSTRSA-N 290.432 3.646 0 40 CHAB CC1(C)C[C@@]2(C)CC3=C([C@H](CO)C(C)(C)C3)[C@@](CO)(C1)C2 4127733 HFSMBLYAAAYWSS-KYNGSXCRSA-N 292.463 3.920 0 40 CHAB Cc1cccc(C(=O)NCc2ccc(-n3cccc3)cc2)c1 4708107 WDQJJRAKMLOIIM-UHFFFAOYSA-N 290.366 3.716 0 40 CHAB Brc1ccc2c(c1)CNc1cccnc1O2 6751407 ZDDWUOYBCBDOHM-UHFFFAOYSA-N 277.121 3.562 0 40 CHAB Cc1c(C(=O)CN2CCCC[C@@H]2C)c2ccccc2n1C 4806887 HLLZBTVILLVLKH-ZDUSSCGKSA-N 284.403 3.544 0 40 CHAB COc1ccc2c(CC(=O)Nc3ccccc3)coc2c1 7238862 ATOMCWAICUGWTN-UHFFFAOYSA-N 281.311 3.623 0 40 CHAB Cc1cccc(OC(=O)c2cc(-c3cccs3)on2)c1 15669791 IHTLPIMUAJHTNX-UHFFFAOYSA-N 285.324 3.931 0 40 CHAB CC/C=C(\C)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 96179396 FGTJUVNUOUWVBC-VZUCSPMQSA-N 270.332 3.945 0 40 CHAB Cc1ccccc1OCCN(C)c1ccncc1Cl 75103596 GKQXJBGVDHTWNZ-UHFFFAOYSA-N 276.767 3.559 0 40 CHAB COc1ccc(-c2noc([C@@H]3C[C@H]3c3ccco3)n2)cc1 83952334 RBDFKNOUOUCXQU-CHWSQXEVSA-N 282.299 3.609 0 40 CHAB CC[C@@H](NC(=O)C1=C(Cl)CCC1)c1ccc(OC)cc1 89947823 ZDBQBALQQDOEPQ-OAHLLOKOSA-N 293.794 3.939 0 40 CHAB Fc1ccc(CNc2nnc(-c3cccs3)o2)cc1 95939379 GPQXOKONXNAMOQ-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB CC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccccc1 20289663 WSOXSKOIHHQZNE-CQSZACIVSA-N 283.371 3.965 0 40 CHAB Cc1cc(O)cc2c1[C@@H]1CC[C@]3(C)[C@@H](O)CC[C@@H]3[C@@H]1C=C2 61852150 WCHXTGUTQVBYIP-RXYDEIHYSA-N 284.399 3.998 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1C=CCC1 78961512 CNWUNMCHMIHGHM-AWEZNQCLSA-N 255.361 3.631 0 40 CHAB CC[C@@H](C)OCc1nn([C@H](C)CC)cc1Br 408716355 LWQWLHDNWNDDTB-NXEZZACHSA-N 289.217 3.932 0 40 CHAB CCOC(=O)c1ccc2nc(-c3cccnc3)sc2c1 73635214 MQUHWZKFPYNVQD-UHFFFAOYSA-N 284.340 3.535 0 40 CHAB CCc1cc(OCC[C@H]2CCCCN2)ccc1Cl 42771494 BHZDVRDPNPOFAN-CYBMUJFWSA-N 267.800 3.813 0 40 CHAB C[C@@H](CC1CC1)Nc1ccc(Cl)c(C[S@@](C)=O)c1 195566334 VBZZPFDQXWKLCD-XTZNXHDOSA-N 285.840 3.819 0 40 CHAB COc1ccccc1[C@H](NCc1ncc(C)o1)C(C)(C)C 96492412 PTMJZORDXNDTDP-INIZCTEOSA-N 288.391 3.869 0 40 CHAB Cc1csc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 257339792 ZDEXXRIFYZUUOM-LLVKDONJSA-N 292.429 3.533 0 40 CHAB CC(C)N(Cc1ccc(Cl)cc1Cl)CC(C)(C)O 84597275 SLPAVWJZEXMOFJ-UHFFFAOYSA-N 290.234 3.975 0 40 CHAB CC[C@@H](C)OC(O[C@H](C)CC)C(=O)c1ccccc1 5922387 OHQSQCACEXDHAJ-CHWSQXEVSA-N 264.365 3.826 0 40 CHAB CCc1ccc(NC(=S)NC(CC)CC)cc1 13823689 WIIIYIJROZBAKS-UHFFFAOYSA-N 250.411 3.724 0 40 CHAB O=C(CCc1ccccc1Cl)NCCc1ccccc1 14831603 IUQWOQDIUDXJPU-UHFFFAOYSA-N 287.790 3.632 0 40 CHAB CC(=O)c1cccc(/N=c2\cc(C)[nH]c3ccccc23)c1 120690 PKVUYSMTJLSBNZ-UHFFFAOYSA-N 276.339 3.911 0 40 CHAB CCOC(=O)c1cccnc1Sc1ccccc1F 32923991 CFZCDOBICJJOMU-UHFFFAOYSA-N 277.320 3.549 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccccc3O)[C@@H]1[C@@H]2C 519477 YHPKSMCKTAILCI-MRTKSZKVSA-N 258.361 3.928 0 40 CHAB biogenic Cc1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 38435 RJCBUIXHMOPQQU-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB O=C(CCc1ccccc1)N1CC[C@@H](c2ccccc2)C1 174409 QSZCVRNMEHYXHX-GOSISDBHSA-N 279.383 3.635 0 40 CHAB COc1cccc(OC)c1C(=O)Nc1ccccc1Cl 342839 DWHRKBCMVVTFPL-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccccc1 430888 KFOCYQMPTOGCSL-GXDHUFHOSA-N 283.714 3.685 0 40 CHAB Clc1ccc(NCn2nnc3ccccc32)c(Cl)c1 1419187 ZBTKBHHPZHIDGK-UHFFFAOYSA-N 293.157 3.808 0 40 CHAB CC(C)OC(=O)c1ccc(-c2cccc(N)c2)cc1 2528984 CSNTUEAOJMESMJ-UHFFFAOYSA-N 255.317 3.501 0 40 CHAB Fc1ccccc1-c1nnc2c3ccccc3nc(Cl)n12 3063655 TXQHUOULTHKPPQ-UHFFFAOYSA-N 298.708 3.737 0 40 CHAB CC(=O)c1sc(N[C@@H](C)c2ccccc2)nc1C 3346068 IOUCLFJOKCPWIG-VIFPVBQESA-N 260.362 3.827 0 40 CHAB COc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1C 3437598 OFGIBAUUDZJZOP-ZDUSSCGKSA-N 299.370 3.503 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccco1 3551938 GAKGNMAPGCLZAZ-AATRIKPKSA-N 291.734 3.902 0 40 CHAB O=C1C[C@H]2Sc3ccccc3N=C2N1c1ccccc1 3639275 FXDKDNVHQMJYBK-CQSZACIVSA-N 280.352 3.628 0 40 CHAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(F)cc1 3904976 UWBNPVDYTHSVEP-MGPQQGTHSA-N 293.382 3.634 0 40 CHAB C1=CC[C@H]2[C@H](C1)CN1CCc3c([nH]c4ccccc34)[C@@H]21 4026243 OUQFYCOJMMHQMV-FHSNZYRGSA-N 264.372 3.663 0 40 CHAB C[C@H](CC(=O)O)CC(=O)N(c1ccccc1)c1ccccc1 4680805 BTCAWNFNFFMXRJ-AWEZNQCLSA-N 297.354 3.852 0 40 CHAB CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 5892681 HSGDTPCOQOJOQY-UHFFFAOYSA-N 296.322 3.954 0 40 CHAB biogenic CC(C)CNC[C@H](O)Cc1ccc(Oc2ccccc2)cc1 5962682 OYOADQBFRGBQPZ-QGZVFWFLSA-N 299.414 3.628 0 40 CHAB Cc1nc2cc(NC(=O)C3CCCCC3)ccc2o1 6239054 HTVMZXUSGUXQCO-UHFFFAOYSA-N 258.321 3.655 0 40 CHAB CCc1ccccc1NC(=O)CSc1nc(C)cs1 6605146 MXLJCWZVMAZHNF-UHFFFAOYSA-N 292.429 3.745 0 40 CHAB CCc1cccc(CC)c1Nc1nnc(S)s1 7718464 RZXIGOQQXLXSMQ-UHFFFAOYSA-N 265.407 3.695 0 40 CHAB CCOC(=O)Nc1ccc(C(=O)Nc2ccccc2C)cc1 7914894 VUOMDUPPZLMSRA-UHFFFAOYSA-N 298.342 3.816 0 40 CHAB CN(Cc1ccccc1Cl)c1ncnc2ccsc12 8750982 IARIOPOHRYIKTL-UHFFFAOYSA-N 289.791 3.981 0 40 CHAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(F)cc2)c1 10542746 HCIGUCSDBBPVQK-ZDUSSCGKSA-N 271.335 3.934 0 40 CHAB O=C(CC1=CCCCC1)N1CCC[C@H](Nc2ccccc2)C1 11820660 RAEXJFRIJFSRGS-SFHVURJKSA-N 298.430 3.980 0 40 CHAB COc1ccccc1-c1cc(-c2ccccc2OC)[nH]n1 12357704 IPNGSQDMHLJZCE-UHFFFAOYSA-N 280.327 3.761 0 40 CHAB C[C@@H]1Cc2ccccc2N1Cc1cnn(-c2ccccc2)c1 12484645 MWURTLYFZVMMDO-OAHLLOKOSA-N 289.382 3.824 0 40 CHAB CCCCN1C(=O)c2ccccc2[C@H]1O[C@H](C)CC 13941909 PMKHBDPQULBXHR-MLGOLLRUSA-N 261.365 3.756 0 40 CHAB CC(C)COc1cccc(C(=O)Nc2cccc(N)c2)c1 19736687 HGQYUQUWAGSWHF-UHFFFAOYSA-N 284.359 3.556 0 40 CHAB Cc1ccc(NC(=O)CNc2ccccc2)cc1Cl 19774020 VBSPTWFFNXHXGM-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](CC)Oc1cccc(Cl)c1 20490269 BTIPFIWQDANXHM-FZMZJTMJSA-N 283.799 3.802 0 40 CHAB Cc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1Cl 22124659 CKTWZMUQARRJRM-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1C 22250597 KOPSYWMEMGYHAP-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB O=C(c1ccc2c(c1)-c1ccccc1C2)N1CCCCC1 32819989 BHMFBQMWMOQKDU-UHFFFAOYSA-N 277.367 3.884 0 40 CHAB C[C@H](Sc1nnc2ccccn12)c1ccccc1 32945190 ZFEXXUYVUFQIBH-NSHDSACASA-N 255.346 3.583 0 40 CHAB O=C(NCCc1cccs1)Nc1ccc2c(c1)CCC2 40103356 BUKOZFFRKBUMDW-UHFFFAOYSA-N 286.400 3.601 0 40 CHAB O=C1CCc2cc(-c3csc(C4CC4)n3)ccc2N1 40501813 BLLRTSKEHICAHS-UHFFFAOYSA-N 270.357 3.572 0 40 CHAB Cc1cc(Br)cnc1N(C)Cc1ccccc1 42783641 SYSOCGUXKGBVDN-UHFFFAOYSA-N 291.192 3.789 0 40 CHAB O=C(Cc1cccs1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 44231203 AJOTXCWNBYRRJD-VHSXEESVSA-N 291.338 3.528 0 40 CHAB O=C(O)Cc1ccccc1-c1nc2ccc(F)cc2s1 45923260 IQRWGPCVUYTXTQ-UHFFFAOYSA-N 287.315 3.730 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1ccc2ccccc2n1 48325494 XALMKQKEFRZCMI-KRWDZBQOSA-N 288.350 3.652 0 40 CHAB Cc1cccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 49535347 NHHBSPFHRAGPMX-INIZCTEOSA-N 297.398 3.511 0 40 CHAB CCC1CCC(N(Cc2nc(C3CC3)no2)C2CC2)CC1 52103575 MJEDHBXGAHVIBT-UHFFFAOYSA-N 289.423 3.880 0 40 CHAB Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1C 59341934 BNHQFRRZUXLWMD-CQSZACIVSA-N 265.356 3.895 0 40 CHAB CCCCOc1ccc(/C=C/C(=O)OC(C)C)cc1 62715077 ZAPLXOUKLOSGPF-DHZHZOJOSA-N 262.349 3.830 0 40 CHAB CCn1c(CSC2=NCCS2)nc2cc(F)ccc21 66256158 LKAVBFGTPRTTFD-UHFFFAOYSA-N 295.408 3.531 0 40 CHAB CC(C)=CC(=O)N(CCc1ccccc1)Cc1ccncc1 69809324 HBUDKVSBGCPMAT-UHFFFAOYSA-N 294.398 3.619 0 40 CHAB COc1c(C(C)(C)C)cc(C(=O)O)cc1C(C)(C)C 71455668 XLICOLVSHXFUJG-UHFFFAOYSA-N 264.365 3.988 0 40 CHAB c1ccc(CCCN2CCCC[C@H]2c2ncc[nH]2)cc1 75104896 FVSHQMFWURZDDJ-INIZCTEOSA-N 269.392 3.570 0 40 CHAB CCn1c(CCCN2CCCCCC2)nc2ccccc21 76556392 WRVIOTUREIMXOV-UHFFFAOYSA-N 285.435 3.865 0 40 CHAB Cc1cc(C)c(Br)c(O[C@@H]2CCCCO2)c1 95095449 HCTXHQFDXSVYOK-GFCCVEGCSA-N 285.181 3.971 0 40 CHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(F)c(Cl)c1 95634011 NGZAWGNNBLYXQB-NXEZZACHSA-N 284.714 3.553 0 40 CHAB Cc1cscc1NC(=O)NCCC[C@@H]1CCCCO1 95940615 FRIHICQCGNNYIE-LBPRGKRZSA-N 282.409 3.527 0 40 CHAB C[C@H](CCO)S[C@H](C)c1ncc(C(C)(C)C)o1 96447795 YIYFXCQXNVNHPZ-NXEZZACHSA-N 257.399 3.537 0 40 CHAB C[C@@H]1CCc2c(sc3[nH]c(=S)sc(=N)c23)C1 100058137 NBADOVNMOQHHMM-RXMQYKEDSA-N 268.432 3.625 0 40 CHAB CN1C(=O)CC(c2ccccc2)=Nc2ccc(Cl)cc21 102372698 PZFMXHLWHWNFHR-UHFFFAOYSA-N 284.746 3.827 0 40 CHAB CCc1nc(C)c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 106577997 UQMZLCINWXDQQI-LPTSXCQYSA-N 292.448 3.568 0 40 CHAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2)c1 219485837 PQAUVQXHJYZVDH-MRXNPFEDSA-N 297.398 3.511 0 40 CHAB Cc1c(Cl)cccc1C[C@@H](Oc1ccccc1)C(=O)O 225070082 LNWAERRJGZQOER-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1 225761595 TUIZFETXUPTMJH-MRXNPFEDSA-N 284.359 3.968 0 40 CHAB Nc1cc(-c2ccccc2OCc2ccccc2Cl)n[nH]1 226104326 FLBFBSLQNZCZKT-UHFFFAOYSA-N 299.761 3.891 0 40 CHAB CCCCC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1 226351940 XSVPVYNTEJNTRI-UHFFFAOYSA-N 287.315 3.774 0 40 CHAB CC1(C)CC(=O)[C@H]2C(c3ccc(C(C)(C)C)cc3)=NN[C@H]2C1 228932686 BGCOUAMXBGPCCU-HOCLYGCPSA-N 298.430 3.665 0 40 CHAB c1cc(CN2CCCC[C@H]2c2ccncn2)c2cc[nH]c2c1 257261747 LIQVWFPSDZPCKQ-SFHVURJKSA-N 292.386 3.685 0 40 CHAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3)nn2)cc1 408531697 WUGXWVNCDKOILZ-UHFFFAOYSA-N 290.322 3.671 0 40 CHAB Cc1ccc2ccccc2c1I 71256645 CNBKZIZVMQYNMU-UHFFFAOYSA-N 268.097 3.753 0 40 CHAB C1CCCN(CCCCN2CCCCCC2)CC1 2227535 STZIRYVBGSAQLE-UHFFFAOYSA-N 252.446 3.519 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)CC2(Cl)Cl)[C@@H]1C 6522992 FYNCDKRQFLAWQU-BFLSOPEQSA-N 278.223 3.511 0 40 CHAB CCCCCCNCc1ccc(OC)c(OCC)c1 7261024 CFEAKIWAGVYHIZ-UHFFFAOYSA-N 265.397 3.764 0 40 CHAB Cc1ccc(Nc2nc3ccccc3c3nnc(C)n23)cc1 7500049 DQLUUQQPELGFHA-UHFFFAOYSA-N 289.342 3.638 0 40 CHAB Fc1ccccc1[C@H]1C=C(c2cccs2)Nc2ncnn21 101353670 MAYLZFGBNGQABJ-CYBMUJFWSA-N 298.346 3.535 0 40 CHAB Cc1ccccc1-n1nc(CSc2ccccn2)cc1O 10157386 IWNIQRVMPORODI-UHFFFAOYSA-N 297.383 3.574 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1 102181160 IKUBFGZYUXDDRM-JKQORVJESA-N 271.404 3.858 0 40 CHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C)cc1 8558350 BDFVEKCKNKOMDK-OAHLLOKOSA-N 287.334 3.930 0 40 CHAB CCOc1ccc(Nc2ncnc3ccsc23)cc1 8746935 SMDOXIFDZVVSLN-UHFFFAOYSA-N 271.345 3.834 0 40 CHAB COc1ccc(CCCC(=O)Nc2ccccc2C)cc1 10777525 OPYZPPAELONHNC-UHFFFAOYSA-N 283.371 3.965 0 40 CHAB Cc1noc(C)c1CN1C(=O)c2cccc3cccc1c23 28914532 GXHRWHHCOWJMDO-UHFFFAOYSA-N 278.311 3.605 0 40 CHAB CC(=O)c1ccc(C(=O)N(C)C2CCC(C)CC2)s1 32845412 WULFGCDWVTZPMC-UHFFFAOYSA-N 279.405 3.601 0 40 CHAB COc1ccc(-c2cn3cc(Cl)ccc3n2)cc1OC 495090 NSQPYKGCGWBTQN-UHFFFAOYSA-N 288.734 3.672 0 40 CHAB O=C(NC1CCCCCCC1)N1CCc2ccccc2C1 9877789 WGHOBAFVIFTWKP-UHFFFAOYSA-N 286.419 3.867 0 40 CHAB COc1ccc2c(c1)c(C=O)c(C)n2Cc1ccccc1 544582 XBMCMJODXKLFGT-UHFFFAOYSA-N 279.339 3.819 0 40 CHAB O=C(O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 37374901 NCFXQYTZUMZZCR-ZDUSSCGKSA-N 280.295 3.883 0 40 CHAB in-vitro COc1cc(C(C)=O)ccc1Oc1ncnc2ccccc12 24057727 SQFNNKQXBGVLSA-UHFFFAOYSA-N 294.310 3.633 0 40 CHAB O=C1CCCCCN1CSc1nc2ccccc2s1 1409674 KRMYPFNABQFRFT-UHFFFAOYSA-N 292.429 3.749 0 40 CHAB Cc1ccccc1COc1ccc(/C=C/C(=O)O)cc1 20134220 CRBKBFXKZRJFML-DHZHZOJOSA-N 268.312 3.672 0 40 CHAB CC(=O)c1c(Nc2cc(C)cc(C)c2)oc(C)cc1=O 27300361 YGBOPANBUZLIGQ-UHFFFAOYSA-N 271.316 3.511 0 40 CHAB CC[C@H](c1ccccc1)c1nc(-c2ccc(O)cc2)no1 20432773 XWUNVHVAFSGPAS-OAHLLOKOSA-N 280.327 3.984 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccc(OC)cc1 4666304 OAGPSBYQMCQNOF-ZDUSSCGKSA-N 263.381 3.641 0 40 CHAB Nc1ccc(N2CCCCCC2)c(C(F)(F)F)c1 8701198 JCYDAFZDXDOPRF-UHFFFAOYSA-N 258.287 3.668 0 40 CHAB Cc1cc(-c2ccccc2)n(C(=O)Nc2ccccc2)n1 408722960 JPMOTHNTSXFROF-UHFFFAOYSA-N 277.327 3.939 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1ncccn1 6913323 AYPICMKKBRVBEN-NSHDSACASA-N 297.383 3.630 0 40 CHAB C/C(=C\c1ccccc1OC(=O)c1ccc(C)cc1)[N+](=O)[O-] 408527075 JZLALBJTIHSZPK-ACCUITESSA-N 297.310 3.852 0 40 CHAB CC(=O)c1ccccc1NC(=O)CCc1ccsc1 8921247 HPOJRQWJESCZHF-UHFFFAOYSA-N 273.357 3.522 0 40 CHAB C[C@@H]1COc2ccccc2CN1Cc1cccc(F)c1F 96007875 MZFCRBUNJWBAOF-GFCCVEGCSA-N 289.325 3.748 0 40 CHAB Cc1cc(N)ccc1NC(=O)c1cccc(OCC(C)C)c1 19736774 WVLCVNRPMMJGAC-UHFFFAOYSA-N 298.386 3.864 0 40 CHAB CC(C)c1ccc(CS[C@H](C)C(=O)NC2CC2)cc1 71818609 HLAXUHNHSZIPPH-GFCCVEGCSA-N 277.433 3.710 0 40 CHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)/C=C/c1cscn1 95957231 MJSGUNGLZYBRHQ-AEZGRPFRSA-N 290.363 3.515 0 40 CHAB O=C(c1cc(F)cc(F)c1)C(Cl)(Cl)Cl 307636592 UQLTUIRKAYGUKI-UHFFFAOYSA-N 259.466 3.518 0 40 CHAB CCCCn1cc(Cl)c(COCCC(F)(F)F)n1 408715997 HSWXUMOFDSFDJW-UHFFFAOYSA-N 284.709 3.806 0 40 CHAB O[C@@H](c1cccc(Br)c1)C1CCCC1 37465017 PUZLHUXDAGMKII-GFCCVEGCSA-N 255.155 3.673 0 40 CHAB Cc1ccccc1C(=O)Oc1c(C)cc(C=O)cc1C 216727321 PNPRVTKOCYDSLO-UHFFFAOYSA-N 268.312 3.644 0 40 CHAB COc1ccc([C@@H](O)c2c(C)ccc3ccccc23)cc1N 226294421 YQLDDVHKPVBVNK-LJQANCHMSA-N 293.366 3.821 0 40 CHAB CCNc1ccc2nc(-c3cc(OC)cc(OC)c3)oc2c1 226284363 ZWDPXUDRFIYIJZ-UHFFFAOYSA-N 298.342 3.944 0 40 CHAB CCCCOc1ccc(C(=O)c2cc(C)ccn2)cc1 45028624 RNHBUWRVZPJXJN-UHFFFAOYSA-N 269.344 3.800 0 40 CHAB Cc1cc(-c2noc(C3CCCCC3)n2)ccc1N 225173467 NQEOKNIRUJMUIH-UHFFFAOYSA-N 257.337 3.675 0 40 CHAB COc1cccc(NC(=S)NC2(C3CC3)CCCC2)c1 225846954 UFMNSIZMUXXEMO-UHFFFAOYSA-N 290.432 3.704 0 40 CHAB Cc1cc(-c2ccc(Cl)cc2)c(Br)c(=O)[nH]1 90487103 HKABEZOVDARZGJ-UHFFFAOYSA-N 298.567 3.766 0 40 CHAB COC(=O)c1cc(NC(C)(C)CC(C)(C)C)nc(Cl)n1 95836933 RADWLQKVCPACMB-UHFFFAOYSA-N 299.802 3.543 0 40 CHAB CC(C)(C)c1cc(NC(=O)N2CC[C@H]2c2ccccc2)no1 95348974 ITYFRDCHJYYMDT-ZDUSSCGKSA-N 299.374 3.951 0 40 CHAB Cc1nnc(-c2ccc(N[C@@H](C)c3cccnc3)cc2)o1 97232154 HPHUDBQLKRONJZ-NSHDSACASA-N 280.331 3.613 0 40 CHAB O=C(OC1(C2CC2)CC1)c1csc(-c2ccoc2)n1 96447594 RUXOZCYBZMTIOD-UHFFFAOYSA-N 275.329 3.503 0 40 CHAB F[C@@H](C(F)(F)F)C(F)(F)COc1ccccc1 96509056 ITMZFCCGDFMNAX-MRVPVSSYSA-N 258.161 3.601 0 40 CHAB Fc1cc(F)cc(CNc2cnn(C3CCCC3)c2)c1 256049967 CCKIWDJZDSYBGQ-UHFFFAOYSA-N 277.318 3.889 0 40 CHAB CCc1ccc(NC(=O)COc2ccccc2Cl)cc1 94312 YRJKBYYWQLMXSS-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB CCN1CCC(Nc2ccnc3cc(Cl)ccc23)CC1 1683345 IZTXOLYDQAZEMI-UHFFFAOYSA-N 289.810 3.784 0 40 CHAB O=C1N[C@@H](c2cccc3ccccc23)Oc2ccccc21 5001176 YGXBVMISFGQDTK-GOSISDBHSA-N 275.307 3.661 0 40 CHAB Cc1ccc(-c2cc(C(=O)O)nn2-c2cccc(C)c2)cc1 11801579 QYPVTBYRYFACTI-UHFFFAOYSA-N 292.338 3.854 0 40 CHAB Cc1nn(-c2cccc(Cl)c2)c2nc3ccccc3nc12 16266493 MJMDQXIYTMPMDC-UHFFFAOYSA-N 294.745 3.931 0 40 CHAB C/C(=C\c1ccccc1)C(=O)Nc1nnc(C(C)C)s1 4681220 PAMJLKXKNVJEEU-PKNBQFBNSA-N 287.388 3.704 0 40 CHAB CCCCOC(=O)c1ccc(OCCCC)cc1 1598376 VZTOPIZKYQFRNC-UHFFFAOYSA-N 250.338 3.822 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)C1CCCC1 5176876 KZECENHYWOQNMX-ZDUSSCGKSA-N 261.390 3.530 0 40 CHAB Cc1cc(O[C@@H](C)C(=O)NC(C)(C)C)cc(C)c1Cl 150788 CVVXPQJVUVCGLK-NSHDSACASA-N 283.799 3.639 0 40 CHAB O=C(Cc1ccccc1)OCc1cc(-c2cccs2)on1 12727058 KRQWRIPSEDLZOT-UHFFFAOYSA-N 299.351 3.689 0 40 CHAB COc1ccc(C(=O)C(F)(F)Cl)cc1C(F)(F)F 575243072 WMCXHFVVQLPDOT-UHFFFAOYSA-N 288.599 3.728 0 40 CHAB O=C(c1cc2c(s1)CCC2)N(Cc1ccco1)C1CC1 40060351 MRMMUIITWQRJIC-UHFFFAOYSA-N 287.384 3.635 0 40 CHAB CC(C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 78875 KHKFPOIIVHCHRW-UHFFFAOYSA-N 289.400 3.635 0 40 CHAB Cc1ccc(-n2c(S)nnc2-c2cccs2)cc1 1010353 LXHLUIVFLDIUGB-UHFFFAOYSA-N 273.386 3.593 0 40 CHAB CC(=O)Oc1ccc(-c2sc3cc(C)ccc3[n+]2C)cc1 1600334 QEFBMOJWPNCEBI-UHFFFAOYSA-N 298.387 3.627 0 40 CHAB COc1ccc(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 1711301 APKUABFBZYGPPH-HOTGVXAUSA-N 288.387 3.977 0 40 CHAB CC(C)C[C@H](C)c1cc(N)nc2nc3ccccc3n12 134779 HIRJGPZTWUBXDB-NSHDSACASA-N 268.364 3.614 0 40 CHAB OC1[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 2286011 USAKVYHRWZXKIZ-SYBFEITBSA-N 293.410 3.849 0 40 CHAB O=C(O)CCCCC(=O)c1cccc(Cl)c1Cl 2579921 ILKFDIHGMHVWPR-UHFFFAOYSA-N 275.131 3.821 0 40 CHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O 3869900 DNXHEGUUPJUMQT-OVWQWFNUSA-N 270.372 3.817 0 40 CHAB in-man CN(Cc1cccs1)C(=O)c1cc2ccccc2o1 6376015 NNMHQXUBKBSHQH-UHFFFAOYSA-N 271.341 3.767 0 40 CHAB C[C@]12CC3CC(NCc4cccnc4)(C1)C[C@](C)(C3)C2 101001731 YIVMSNQMFCYNQE-QLOLRVAOSA-N 270.420 3.920 0 40 CHAB Cc1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 227545 JQBGOJBRVHKDTB-UHFFFAOYSA-N 296.395 3.634 0 40 CHAB O=C(Nc1cccc(Cl)c1)[C@@H]1COc2ccccc2C1 8755878 PKTXNUGRYLONCX-LBPRGKRZSA-N 287.746 3.530 0 40 CHAB C[P@](=O)(Nc1ccccc1)c1nc2c(s1)CCCC2 101023673 UEJJWZCUKBMNOQ-GOSISDBHSA-N 292.344 3.667 0 40 CHAB O=C(O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1 11629047 AVZZAZDBRVWAMZ-AWEZNQCLSA-N 262.255 3.571 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CCCC(c2ccccc2)=N1 1397985 KQRKOTJZLVLZJI-UHFFFAOYSA-N 298.773 3.980 0 40 CHAB O=C(Nc1cccc(F)c1)c1cc(-c2ccccc2)on1 21840265 BBAUYWRGFTVJDD-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB Cc1cc(CNc2cc(Cl)ccc2N2CCCC2)no1 57591854 XYQQRLGXDSNEIB-UHFFFAOYSA-N 291.782 3.849 0 40 CHAB Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1F 12820619 PIUXGELBHYLGTC-LBPRGKRZSA-N 269.319 3.726 0 40 CHAB CSc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 7118926 CGDIGZOEKIVSAT-UHFFFAOYSA-N 283.356 3.537 0 40 CHAB Cc1ccc(C)c(NCc2nnc(-c3ccccc3)o2)c1 4513675 OXLLIIREFKBQON-UHFFFAOYSA-N 279.343 3.966 0 40 CHAB CC(C)(C)C(=O)COC(=O)/C=C/c1cccc(Cl)c1 6543692 RQPXTCFDVNNACU-BQYQJAHWSA-N 280.751 3.512 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 4659363 FNTGQGRATKJMQC-HOTGVXAUSA-N 297.398 3.948 0 40 CHAB CSc1ccccc1NC(=S)NCc1cccs1 7735958 CALWOFWWZZOGEQ-UHFFFAOYSA-N 294.470 3.957 0 40 CHAB O=C(c1nc(C2CC2)ncc1Br)N1CC(Cc2ccoc2)C1 97370641 IEBVFHCFNSACSN-LLVKDONJSA-N 362.227 3.024 0 40 CHAB O=C(O)c1ccc(F)c(NC(=O)c2cc3ccccc3o2)c1 95349597 MKWBSQITQQRUBU-UHFFFAOYSA-N 299.257 3.522 0 40 CHAB Cc1ccc([C@@H](NC2CCOCC2)c2ccccc2)cc1 95419056 VTTHYKGYTUUSFO-IBGZPJMESA-N 281.399 3.853 0 40 CHAB Cc1ccc(CNc2cc(F)ccc2-n2cccn2)o1 95445310 PITNWBIEQJERCJ-UHFFFAOYSA-N 271.295 3.525 0 40 CHAB CCOc1cc(NC(=O)N[C@H](C)c2ccncc2)ccc1C 67347828 CHNLDVKJXDKHJC-CYBMUJFWSA-N 299.374 3.671 0 40 CHAB Cc1sc(=N)n(C)c1-c1ccc(Cl)c(Cl)c1 409224214 JAULOZMIQGNYKC-UHFFFAOYSA-N 273.188 3.848 0 40 CHAB CC(C)CNc1ccc([C@H]2CCCN2C(C)C)cn1 72213314 DWVMLWIUNZSFFZ-OAHLLOKOSA-N 261.413 3.695 0 40 CHAB CCC[C@H](Nc1cn(C)nc1CC)c1ccc(OC)cc1 537478858 YCJCQCRXWMFKDO-INIZCTEOSA-N 287.407 3.944 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)CC(C)C 32781328 GBYZJXYGVKCKOS-GFCCVEGCSA-N 251.395 3.630 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)NC1CCCCCC1 38772878 USNSFQWXTJTBFH-CQSZACIVSA-N 289.419 3.855 0 40 CHAB COc1cccc(N(C)C(=O)c2ccc(Cl)cc2)c1 222943637 NIKMEICDABLWDF-UHFFFAOYSA-N 275.735 3.625 0 40 CHAB S=c1nccc(N2CCC(Cc3ccccc3)CC2)[nH]1 40478757 GCRWIHGWQWVJLC-UHFFFAOYSA-N 285.416 3.598 0 40 CHAB C[C@@H](NC(=S)Nc1ccncc1)c1ccc(Cl)cc1 225179163 MWBOXJSJJVPBCB-SNVBAGLBSA-N 291.807 3.783 0 40 CHAB Cc1nnc(CSCc2ccc(OC(C)C)cc2)o1 96467811 NWPZMDZBGXUWMQ-UHFFFAOYSA-N 278.377 3.599 0 40 CHAB CCn1c([C@@H](C)NC2CCSCC2)nc2ccccc21 237218119 HONFKDCTEQCKPX-GFCCVEGCSA-N 289.448 3.602 0 40 CHAB CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@@H]1CCCC1=O 93487874 BSNQLZMGLCTBIL-STQMWFEESA-N 281.396 3.535 0 40 CHAB C[C@H](Cc1ccc2ccccc2c1)NC1CCOCC1 95421508 RCNIHJSYRHPYNC-CQSZACIVSA-N 269.388 3.539 0 40 CHAB O=C(c1cccc2ccccc12)N1CCC(CF)CC1 296064595 ZEQWCBSRLJJLKV-UHFFFAOYSA-N 271.335 3.662 0 40 CHAB COc1ccc(C(=O)c2cccc(SC)c2)c(OC)c1 95917214 HGDKYTGSEZENCB-UHFFFAOYSA-N 288.368 3.657 0 40 CHAB Cc1nnc([C@H](C)Nc2ccc(Br)c(C)c2)o1 71902381 CLEJVFDRVMJTRB-QMMMGPOBSA-N 296.168 3.622 0 40 CHAB CCc1ccc(CNCc2ccc(F)c(C)c2)cc1 83429009 DAMHAVGMANRBDQ-UHFFFAOYSA-N 257.352 3.986 0 40 CHAB Fc1cccc2c1SCC[C@@H]2Nc1cncc(Cl)n1 95369405 QWVSGMOFMYOVOO-JTQLQIEISA-N 295.770 3.918 0 40 CHAB CC(C)Oc1ccc(C(=O)Nc2cccnc2Cl)cc1 363857 QTJBVUQWMXGZDE-UHFFFAOYSA-N 290.750 3.775 0 40 CHAB c1ccc(CNc2c(-c3ccco3)nc3cnccn23)cc1 12113775 ZEXAFYHHEJVFSJ-UHFFFAOYSA-N 290.326 3.601 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1ccccc1 13674854 COFFEOKUCIRRPA-GCZGRYASSA-N 263.340 3.678 0 40 CHAB CCn1cc(C(=O)COc2ccccc2)c2ccccc21 14136209 HTFQRLRNVCIXHE-UHFFFAOYSA-N 279.339 3.923 0 40 CHAB O=C(CCC1CCCC1)NC1CCC(F)(F)CC1 341453132 CHGBMEFGTSINJO-UHFFFAOYSA-N 259.340 3.651 0 40 CHAB CC(C)=CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 40074313 WJWORFOCPKSHAB-JTQLQIEISA-N 287.281 3.729 0 40 CHAB Cc1n[nH]cc1CN[C@@H](CC(F)(F)F)c1ccccc1 38011581 SXFWVYMOOOJQNR-ZDUSSCGKSA-N 283.297 3.501 0 40 CHAB CC(=O)N[C@@H]1C[C@H](c2ccccc2)OC2(CCCCC2)C1 2037774054 PNZUHHVIJRIATP-IAGOWNOFSA-N 287.403 3.746 0 40 CHAB CC(C)=C1CC[C@]2(C)OC(=O)[C@@H](Cc3ccccn3)[C@]12C 33659 LABKVGSCWMJBSU-NJAFHUGGSA-N 285.387 3.692 0 40 CHAB Cc1ccc(N2N[C@](C)(CCC(C)C)N=C2S)cc1 1249054 GRAOKZSTOKKLRP-OAHLLOKOSA-N 277.437 3.758 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cc3nc(C)ccc3o2)c1 8793868 XXOYXQAKMXHGCX-UHFFFAOYSA-N 294.310 3.591 0 40 CHAB CC1=C2C=CC=C[C@@H]2c2nc3ccc(Cl)cc3n2N1 1097447 JJOQSCCEZNINCQ-LBPRGKRZSA-N 269.735 3.730 0 40 CHAB O=C(NCc1cccc(F)c1)c1ccccc1C(F)(F)F 45362068 CSSGWDGIRDRIMF-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB Cc1ccc(C)c(NC(=O)NCCN(C)c2ccccc2)c1 1741841 GXCYOYSQGPUBAV-UHFFFAOYSA-N 297.402 3.561 0 40 CHAB Cc1ccc(NC(=S)NCc2ccccc2F)c(C)c1 6964605 XGZIEDHUCDTDLR-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB CCc1nnc(CSc2nc3ccccc3s2)o1 32865392 SVHPLVJTASBPCI-UHFFFAOYSA-N 277.374 3.534 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc(N)ccc2Cl)c1 20194125 SDTCZFYSBVTLSF-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB C/C(=C/C(=O)Nc1cccc(C(F)(F)F)c1)N1CCCC1 1388176 WYOUAPQUYHEVQL-LUAWRHEFSA-N 298.308 3.644 0 40 CHAB O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccccn1 3066903 SNKDHYGIZNNNCR-UHFFFAOYSA-N 298.289 3.946 0 40 CHAB Cc1cc(C(=O)N2CCC[C@H]2c2ccncc2)sc1C 12546124 KJOSARIKMKVKEL-AWEZNQCLSA-N 286.400 3.737 0 40 CHAB Cc1ccsc1C(=O)Nc1ccccc1N1CCCC1 12536687 HPPJADAQMPFDSO-UHFFFAOYSA-N 286.400 3.909 0 40 CHAB Cc1[nH]c2ccccc2c1/C=C1\N=C(C(C)(C)C)OC1=O 10214691 OZIVFZIIBIZRGZ-ZROIWOOFSA-N 282.343 3.819 0 40 CHAB Cc1c([C@H]2[C@@H](CCN)C2(C)C)c2ccccc2n1C 2111438 CSWYSAZUCZBEDB-CZUORRHYSA-N 256.393 3.575 0 40 CHAB biogenic CCOP(=O)(OCC)[C@H](CC(C)=O)c1ccco1 2294381 DXJZKDZLNVZSCN-GFCCVEGCSA-N 274.253 3.566 0 40 CHAB COc1ccc(Nc2nnc(-c3ccccc3)s2)cc1 12739692 RDNNMFJZQSZMPF-UHFFFAOYSA-N 283.356 3.957 0 40 CHAB O=C(NCCc1ccco1)c1ccccc1-c1ccccc1 12820092 IWDWKLNNZFIJPZ-UHFFFAOYSA-N 291.350 3.919 0 40 CHAB CC(=O)c1ccc(NC(=S)N2C[C@H](C)C[C@@H](C)C2)cc1 8801744 SMSPZZFACKLMBP-VXGBXAGGSA-N 290.432 3.564 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 3553780 MTTAETNHHMARBF-UHFFFAOYSA-N 294.310 3.644 0 40 CHAB O=C(COc1ccccc1Cl)Nc1ccc(F)cc1F 3514930 GLCCKHPSDHUJGF-UHFFFAOYSA-N 297.688 3.636 0 40 CHAB CCCNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 13329863 VUSOSBVAAFRKSE-QMMMGPOBSA-N 275.179 3.764 0 40 CHAB CC(=O)c1csc2ccc(Br)cc12 4277350 IRGMTUHYELTYEG-UHFFFAOYSA-N 255.136 3.866 0 40 CHAB in-vitro CC(=O)Nc1ccccc1OCc1ccccc1Cl 6561569 FADIWWUDORAIKU-UHFFFAOYSA-N 275.735 3.877 0 40 CHAB Clc1ccc(-c2cc3c(N4CCCC4)nccn3n2)cc1 67284738 AIQMVKQVVNLIBB-UHFFFAOYSA-N 298.777 3.650 0 40 CHAB O=C(Nc1ccnc2ccccc12)c1ccccc1F 18192714 TVQVQPSZLLXORD-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB c1ccc(CCNCc2cccc3[nH]ccc23)cc1 15423506 LXRFWIPPPOAGEN-UHFFFAOYSA-N 250.345 3.500 0 40 CHAB biogenic CCNc1ccc(Cl)cc1NC(=O)c1ccoc1 97048587 DSEHMPJIPMOHAN-UHFFFAOYSA-N 264.712 3.617 0 40 CHAB C[C@H](CSCc1nnc(C2CC2)o1)c1ccccc1 97046918 OKKSLTZVRVBDDW-LLVKDONJSA-N 274.389 3.984 0 40 CHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(CC)CC 216171583 VQBHCBKGUCIDCL-QGZVFWFLSA-N 285.387 3.866 0 40 CHAB CCCN1CCCC[C@H]1c1ccc(NC2CCC2)nc1 72213857 ZICVQQHMNWOSBL-INIZCTEOSA-N 273.424 3.983 0 40 CHAB CC(C)C[C@H](NCc1cccc(Cl)c1Cl)C(=O)O 43432657 HLFGTYVWSVKBMB-NSHDSACASA-N 290.190 3.582 0 40 CHAB CC(C)[C@@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 225211262 ZKHITRSMXPUVRD-KGLIPLIRSA-N 285.387 3.768 0 40 CHAB Cc1ccccc1O[C@@H](Cc1cccc(Cl)c1)C(=O)O 225058011 IDVDEAYORZGWEI-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Cc1cccc2cc(C(=O)NC3CCCCCC3)c(=O)oc12 226034134 CNDCHQBNKBJNOQ-UHFFFAOYSA-N 299.370 3.554 0 40 CHAB CC[C@@]1(C)OC(=S)Nc2ccc(Br)cc21 90415020 DCKAFEQQFCQWOZ-LLVKDONJSA-N 286.194 3.801 0 40 CHAB CCOC(=O)c1[nH]ccc1-c1cccc(Br)c1 92721609 VJGSOWDFFZDNSJ-UHFFFAOYSA-N 294.148 3.621 0 40 CHAB c1csc(CN2CCC3(CCCN3CC3CC3)CC2)c1 96049292 IRVINRIJFMIJPD-UHFFFAOYSA-N 290.476 3.589 0 40 CHAB Cc1cccc(CC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 253398188 GRSIDQJMBMNVEW-QGZVFWFLSA-N 297.373 3.693 0 40 CHAB Cc1cc(F)cc(C(=O)COCc2ccccc2)c1 394662077 AEFJOHOBYIOZRW-UHFFFAOYSA-N 258.292 3.534 0 40 CHAB CCc1c[nH]c2ccc(OCc3ccccc3)cc2c1=O 685937934 BSWIGHCQQJMSMJ-UHFFFAOYSA-N 279.339 3.670 0 40 CHAB Fc1cc(Br)cc2oc(C(F)(F)F)nc12 169805256 YBWPXCZXFAWTLP-UHFFFAOYSA-N 284.006 3.748 0 40 CHAB O=C(Nc1nccs1)c1cc(C2CC2)nc2ccccc12 12389897 XWDSWEHFBYGXNZ-UHFFFAOYSA-N 295.367 3.821 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@]1(C)CC1(Cl)Cl 12730315 FSAREUPRWQAQPF-LBPRGKRZSA-N 288.174 3.526 0 40 CHAB COc1ccc(C(=O)CCC2CCCC2)c(OC)c1 165435443 XTOAEOFGCPWYNB-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB Cc1ccccc1C1=N/C(=C\C=C\c2ccccc2)C(=O)O1 4509501 KDQSXSAZERNERJ-DNZSEPECSA-N 289.334 3.896 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 5465455 BCRBQDJOTQIFBN-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB O=C(/C=C/c1ccccc1)N1CCCC[C@H]1c1cccnc1 123500 FDJIGFPSANYVIK-DXRVJIQQSA-N 292.382 3.849 0 40 CHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(C)cc1 8477574 DTKJTLBGPDSFLB-HNNXBMFYSA-N 299.370 3.800 0 40 CHAB CSCCC(=O)Nc1ccc(OC2CCCC2)cc1 31245811 FVVYYJVUSOESLW-UHFFFAOYSA-N 279.405 3.700 0 40 CHAB c1ccc(-c2n[nH]cc2-c2nc(-c3cccs3)no2)cc1 49422290 QLSHEGAQPKEZAG-UHFFFAOYSA-N 294.339 3.855 0 40 CHAB COc1ccc(C(=O)c2c(C)cccc2C)c(OC)c1 234959624 HSMZZEXSKDDSPL-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB Oc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1 100072216 SMZQPCZYWCVTQT-UHFFFAOYSA-N 270.719 3.898 0 40 CHAB CC(C)[C@@H](C)NC(=O)COc1cc(Cl)ccc1Cl 40159015 NZABWVLZSCBVDD-SECBINFHSA-N 290.190 3.533 0 40 CHAB CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCc2ccccc21 107329835 IVBGKUJASUZVAX-ZFZWDLNGSA-N 269.388 3.569 0 40 CHAB Fc1ccc(-c2nnc(SCc3cccnc3)o2)cc1 415885 FOROGFYPZSCSGH-UHFFFAOYSA-N 287.319 3.563 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccsc2)cc1 16354328 HQXREEKIRUBXQI-ZDUSSCGKSA-N 288.416 3.516 0 40 CHAB Cc1ccc([C@@H](Cc2ccccc2)NC(C)(C)CO)cc1 1666401 YMUFTSXVUQUZLE-GOSISDBHSA-N 283.415 3.639 0 40 CHAB CCCCC1(CCCC)NC(=S)N(c2ccccc2)N1 2320539 ZZNVZDXMORRKAF-UHFFFAOYSA-N 291.464 3.962 0 40 CHAB COc1ccc(C(=O)CNc2cc(C)ccc2C)c(F)c1 2684419 ZRPFFLXXPOJVOX-UHFFFAOYSA-N 287.334 3.746 0 40 CHAB O=C(NCc1ccccc1)C12CCC3C[C@H](C[C@@H](C3)C1)C2 3265043 PKOHGORCSUVXPC-VZDIDWBNSA-N 283.415 3.909 0 40 CHAB C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@H]1CC[C@@H]2O)CC(=O)CC4 4082030 BAZGVDKAIHZPOH-DZVNLGKHSA-N 274.404 3.633 0 40 CHAB biogenic CCCCC[C@@H]1OC[C@@]2(CO)[C@@H](C)C=C(C)[C@H]1[C@H]2C 101125848 KWAQTWWTBCDMPK-QEOTZNIISA-N 266.425 3.793 0 40 CHAB O=C(CCc1ccc(Cl)cc1)Nc1cccc(O)c1 41413960 FIHPMSNWZIJFMW-UHFFFAOYSA-N 275.735 3.617 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H](C)C2)c1 58969976 YFURRPGLRLVHED-OAHLLOKOSA-N 289.419 3.756 0 40 CHAB Cc1ccc(O)c(CN[C@H](C)c2ccc3c(c2)CCCC3)n1 103341102 GPMFGOGUAMIBKO-CQSZACIVSA-N 296.414 3.825 0 40 CHAB O=C(CCc1ccco1)N1CCC[C@H]1c1ccccc1 42010461 REBBIXMORFXFGK-INIZCTEOSA-N 269.344 3.576 0 40 CHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 113945699 JTLOEXVGVSSAGZ-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB Cc1cc(C)cc(C2(C(=O)N[C@H](C)c3ccncc3)CC2)c1 54984763 ADHWUNNEKVMCRA-OAHLLOKOSA-N 294.398 3.607 0 40 CHAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(F)cc1 24839268 IGISHQAHXRHJTK-UHFFFAOYSA-N 283.346 3.886 0 40 CHAB O=Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 54933254 FBCPVXZZCAVTTK-UHFFFAOYSA-N 252.191 3.709 0 40 CHAB C[C@@H](NC(=O)c1ccco1)c1ccc(-n2cccc2)cc1 28221001 MXPQQJFYBGSLPZ-CYBMUJFWSA-N 280.327 3.561 0 40 CHAB CN(C)C(=O)c1ccc(-c2nc3ccccc3s2)s1 8373776 KEYUOOVQXHDBQU-UHFFFAOYSA-N 288.397 3.727 0 40 CHAB CCCCSc1ncnc2c1cnn2-c1ccccc1 1891281 YXZCVUVAAOXPHP-UHFFFAOYSA-N 284.388 3.708 0 40 CHAB Cc1c(Cl)cccc1Nc1nnc(S)s1 1870188 GAKFSVUCXVAFRR-UHFFFAOYSA-N 257.771 3.532 0 40 CHAB in-vitro CN(C(=O)c1cccs1)c1nc2ccccc2s1 26955765 NOSSNJLPKYMFEA-UHFFFAOYSA-N 274.370 3.634 0 40 CHAB CCN(Cc1c(C)nn(C)c1Cl)C1CCCCC1 37515153 JJOUBDZJAXSOIE-UHFFFAOYSA-N 269.820 3.537 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(F)cc1F 3221358 GZLBFVHEQVUVCA-GFCCVEGCSA-N 289.325 3.716 0 40 CHAB CCCN1C(=O)c2ccccc2N[C@@H]1/C=C/c1ccco1 48354577 RKMNNQYQORMOGY-SCOAYWHSSA-N 282.343 3.597 0 40 CHAB CC(C)CNC(=O)c1ccccc1CCc1ccccc1 12857841 ONRRDWYITOAIGV-UHFFFAOYSA-N 281.399 3.858 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccncc1 48954678 KNZZOKKKYNSMSB-BPLDGKMQSA-N 275.396 3.664 0 40 CHAB O[C@H](Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 13729991 IXJFAZPPIDOJGE-HXUWFJFHSA-N 295.426 3.502 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)c2ccc(F)cc2F)[C@@H]1C 6113832 KKOHVEHWRFJRGR-RULNRJAQSA-N 267.319 3.519 0 40 CHAB CCC(C)(C)C(=O)Nc1cc(OC)c(Cl)cc1OC 4696143 GVNVXFNQJZWEKK-UHFFFAOYSA-N 285.771 3.732 0 40 CHAB Cc1cc(C)c2c(C)nn(-c3ccc(Cl)cc3)c2n1 4739174 WRPVOAPACCIDNT-UHFFFAOYSA-N 271.751 3.999 0 40 CHAB CCC[C@H](C)COc1ccc(Br)cc1N 14630935 NBRLDNHLGPRUCB-VIFPVBQESA-N 272.186 3.846 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2ccccc2n1 6788215 NMJNBKGCRDZDGL-TZMCWYRMSA-N 268.360 3.543 0 40 CHAB O=C(Nc1nccs1)c1csc(-c2cccs2)n1 7918978 KWHRDGNZTJTBJG-UHFFFAOYSA-N 293.398 3.580 0 40 CHAB O=C(Nc1ccccn1)c1cccc(Cl)c1Cl 9379072 SXZZWEIHNOABGS-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3ccccc32)c1 219540191 WLXKCLJUCNBXKP-OAHLLOKOSA-N 295.382 3.660 0 40 CHAB Cc1ccc2oc(C(=O)N(C)OCc3ccccc3)cc2c1 89657565 IDDOPLAMZZMCKD-UHFFFAOYSA-N 295.338 3.945 0 40 CHAB CC(C)=CCN1CCC[C@H](c2nc3ccccc3o2)C1 75696345 FCSQUIJRUOMZJM-AWEZNQCLSA-N 270.376 3.973 0 40 CHAB Cc1cnn(-c2ccncc2NCc2ccc(C)c(C)c2)c1 95443039 AQGNJANVOGYFMC-UHFFFAOYSA-N 292.386 3.805 0 40 CHAB O=C(Nc1ccc(F)cc1Cl)c1noc2c1CCCC2 20436022 MGMHSBSJUJIIPM-UHFFFAOYSA-N 294.713 3.598 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCC(C)(C)C1 20046151 NPHQHMFJSPVVPV-LBPRGKRZSA-N 295.810 3.756 0 40 CHAB O=C(c1ccccn1)N(Cc1ccoc1)Cc1cccs1 90612065 BEZNRPVYAZDPNP-UHFFFAOYSA-N 298.367 3.579 0 40 CHAB O[C@@H](CNc1nc2ccccc2o1)c1ccc(Cl)cc1 30860334 ZDEPKSZXZKFSDI-ZDUSSCGKSA-N 288.734 3.627 0 40 CHAB Cc1ccccc1NC(=O)Nc1nnc(C(C)C)s1 32604005 GLUNZITUBPBYNN-UHFFFAOYSA-N 276.365 3.614 0 40 CHAB C(=C/[C@@H]1OC[C@H](c2ccccc2)O1)\c1ccccc1 38306733 WSGOUZOHBWMGBM-CSLLIFPHSA-N 252.313 3.814 0 40 CHAB CCCN1CCCC[C@@H]1c1cccnc1N1CCCC1 72216000 BMQFPJHURSMONU-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1cccs1 32865225 QQAFJIYVUOZJJB-CHWSQXEVSA-N 261.390 3.768 0 40 CHAB Cc1cc(Cl)cnc1NC(=S)NCc1ccccc1 223922423 CPXIARLOJKDCHG-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1cccc(OC(C)C)c1 225383564 PAGSLCFIMPCTSH-GFCCVEGCSA-N 280.437 3.949 0 40 CHAB CS[C@@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 42849885 ZCHWGLKXTNHSNZ-SMDDNHRTSA-N 291.441 3.705 0 40 CHAB COCCCN[C@H](C)c1ccc(OC2CCCC2)cc1 225169980 MRXYJNFFQLFUFT-CQSZACIVSA-N 277.408 3.695 0 40 CHAB CCCCO[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225095621 AUWOOBXEJQECBP-GFCCVEGCSA-N 290.281 3.518 0 40 CHAB CC(C)COc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 225167685 BDFLIQKTEPIHFU-YOEHRIQHSA-N 277.408 3.551 0 40 CHAB COc1ccc(N=c2ccoc3ccc(C)cc23)cc1 254294567 KSFPYFGIJQSWTF-UHFFFAOYSA-N 265.312 3.982 0 40 CHAB C[C@@H](C(=O)O)N1c2cc(Cl)ccc2[C@H](C)CC1(C)C 260714031 AAVNLVMKVSUKBQ-ZJUUUORDSA-N 281.783 3.905 0 40 CHAB CCSc1nnc(S[C@@H](C)c2cccnc2)s1 59324872 OVTLJCGTUIBZGL-QMMMGPOBSA-N 283.447 3.898 0 40 CHAB O=Cc1ccc(OCc2ccccc2)cc1OC(F)(F)F 382768495 AWIOAXGWNPTNFN-UHFFFAOYSA-N 296.244 3.977 0 40 CHAB CCc1c(-c2ccccc2)[nH]c2cc(F)ccc2c1=O 685938351 JCMVVERTXBLXDQ-UHFFFAOYSA-N 267.303 3.897 0 40 CHAB FC(F)(F)CNc1cccc(OCC(F)(F)F)c1 1083811786 OYCFGAQJAMBYBC-UHFFFAOYSA-N 273.176 3.602 0 40 CHAB O=C1Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1 16478511 NRAXDKHZWGBKAT-ZDUSSCGKSA-N 258.708 3.565 0 40 CHAB CCCCC[C@H](OC(C)=O)c1ccc2c(c1)OCO2 2042313 DHFWEDDMTLCZLG-ZDUSSCGKSA-N 264.321 3.600 0 40 CHAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1cccc(F)c1 37124160 ZMOWIGFHUUMPGU-NSHDSACASA-N 284.334 3.884 0 40 CHAB Cc1cc(N)nc(SCc2cccc3ccccc23)n1 22089442 XQAITMMACQHMNP-UHFFFAOYSA-N 281.384 3.813 0 40 CHAB C[C@@H](Cc1cccs1)NC(=O)/C=C/c1ccccc1 33203590 FDTDXAZZFNOSOL-LXKVQUBZSA-N 271.385 3.509 0 40 CHAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1 206755888 FJEMMLUZIKLQEB-NUUMQCRXSA-N 287.428 3.585 0 40 CHAB O=Cc1ccc(OCCCCN2CCCCCC2)cc1 206991575 DCDPKUVLGQPWGB-UHFFFAOYSA-N 275.392 3.534 0 40 CHAB CCC[C@@H](C)NC(=O)Nc1ccccc1Br 40095185 NREQXSBRKWLZTO-SECBINFHSA-N 285.185 3.759 0 40 CHAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1O 40019994 TXCFLGNOSMZNKX-UHFFFAOYSA-N 295.260 3.592 0 40 CHAB CC(C)C[C@H](N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 20027997 OKTLQXOVKNSJAJ-SFHVURJKSA-N 294.398 3.570 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1O 364382 GZAQCCDEBNPRND-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB CC(C)(C)CC(=O)Nc1nnc(C2CCCC2)s1 412268 IGJMXLFMUOJVSA-UHFFFAOYSA-N 267.398 3.570 0 40 CHAB Cc1cc2c(=O)oc(-c3cccc(Cl)c3)nc2s1 549489 NAUOIANEHWWMNM-UHFFFAOYSA-N 277.732 3.878 0 40 CHAB CC(=O)Nc1ccc(C(Cl)=C(Cl)Cl)cc1 1579765 NMDHNNPHLYKLDU-UHFFFAOYSA-N 264.539 3.988 0 40 CHAB COc1cc(Nc2ccc(O)cc2)c2ncccc2c1 1717561 MQQVFMKQADRBKH-UHFFFAOYSA-N 266.300 3.693 0 40 CHAB COc1cc2cc(-c3ccccc3)[nH]c2cc1OC 2569768 VXTHRFKFXIWSTO-UHFFFAOYSA-N 253.301 3.852 0 40 CHAB CC(C)(C)c1ccc(C(=O)O)c(C(=O)c2ccccc2)c1 3108919 YOQDGPBVHQXIMR-UHFFFAOYSA-N 282.339 3.913 0 40 CHAB CC1(C)[C@H]2CC=C(COC(=O)c3ccccc3)[C@@H]1C2 3846243 YUXLMPQJQGGWGZ-GJZGRUSLSA-N 256.345 3.836 0 40 CHAB COc1nc2ccccc2cc1-c1noc(-c2ccco2)n1 5560974 WWRAMAABXDEDIU-UHFFFAOYSA-N 293.282 3.553 0 40 CHAB CCc1ccc(Oc2coc3cc(O)cc(O)c3c2=O)cc1 5908917 DWFQQKXEKFTDSV-UHFFFAOYSA-N 298.294 3.559 0 40 CHAB biogenic CSc1cccc(NC(=O)Cc2cccc(F)c2)c1 6880101 QHOKUTCNEDITHO-UHFFFAOYSA-N 275.348 3.729 0 40 CHAB Cc1ccc(C)c(OCCCSc2ncccn2)c1C 8752945 BRUUEYWGWIMKTG-UHFFFAOYSA-N 288.416 3.963 0 40 CHAB CC(C)O[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 9136626 ZSHGLVPEPJARJI-SFHVURJKSA-N 281.355 3.766 0 40 CHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccccn1 9468320 MXPLYRQVKFHXDV-JTQLQIEISA-N 275.739 3.618 0 40 CHAB Cc1n[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)C)cc1)C2 10156791 ODUUXAIIVDHPRC-AWEZNQCLSA-N 268.360 3.754 0 40 CHAB CCc1ccc(CC(=O)Nc2ccc(F)cc2)cc1 10812555 ZXMJYOQAEYRKIR-UHFFFAOYSA-N 257.308 3.569 0 40 CHAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2c1C 12850215 ZGDXENFRURQQCT-LLVKDONJSA-N 270.376 3.657 0 40 CHAB Cc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1F 13320312 DTSHIKVFHYOZIK-QWRGUYRKSA-N 264.344 3.644 0 40 CHAB CN(C(=O)CCCOc1ccc(Cl)cc1)C1CCCC1 20492149 UYWRFMWAMXNPPV-UHFFFAOYSA-N 295.810 3.900 0 40 CHAB O=C(NC1CCCCCCC1)c1ccc(-n2cccn2)cc1 21796571 XVPPDCZVEBYPBS-UHFFFAOYSA-N 297.402 3.715 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC1CCCCC1 22519666 FVXCVDQJHFQWBN-MRXNPFEDSA-N 289.419 3.910 0 40 CHAB Nc1onc(-c2ccc(F)cc2)c1Cc1ccccc1 26512508 JMQSFPPRCFNPAV-UHFFFAOYSA-N 268.291 3.654 0 40 CHAB Cc1cccc(NC(=O)c2csc3c2CC[C@@H](C)C3)n1 27655634 DBLLCZAVUXYYAM-SNVBAGLBSA-N 286.400 3.829 0 40 CHAB CC1(C)C[C@@](C)(c2ccc(N)cc2)c2ccc(N)cc21 33604942 CGSKOGYKWHUSLC-SFHVURJKSA-N 266.388 3.838 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2)cc1C 37289037 OVDNEVXOWIBTJG-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB Cc1cc(Cl)nc(Cc2cccc(Cl)c2)n1 37504354 OHAUQDJYXGILFR-UHFFFAOYSA-N 253.132 3.683 0 40 CHAB C[C@@H](NC(=O)Nc1nccs1)c1cccc(Cl)c1 42736614 WOSQOAVFJZQPBI-MRVPVSSYSA-N 281.768 3.679 0 40 CHAB Nc1ccc(Sc2nccc(-c3cccs3)n2)cc1 47474194 NCRJZGREZRXKDY-UHFFFAOYSA-N 285.397 3.939 0 40 CHAB Clc1snnc1CN1CCC[C@H]1c1cccs1 52916702 WEDFHWOCWITJJJ-VIFPVBQESA-N 285.825 3.590 0 40 CHAB CCOc1cccc(CNC(=O)c2ccc(C)c(C)c2)c1 57669898 KPLOTTXFXKOONS-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB CCCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 60370064 XKIQEGNQSHLZKL-CQSZACIVSA-N 271.364 3.674 0 40 CHAB O=Cc1nc(-c2ccc(C(F)(F)F)cc2)cs1 61798778 TXAWFIWWLHYMFW-UHFFFAOYSA-N 257.236 3.641 0 40 CHAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@H]2c2ccc(C)cc2)c1 65552509 JTNJROVAQQWENM-KRWDZBQOSA-N 296.370 3.503 0 40 CHAB Cc1ccsc1CN(C)C(=O)Nc1cccs1 69582394 SMQSBUVFKBBAGU-UHFFFAOYSA-N 266.391 3.782 0 40 CHAB Clc1nc(SCCCOc2ccccc2)ns1 71980757 RVTRHARKYYTGHK-UHFFFAOYSA-N 286.809 3.753 0 40 CHAB O=C(O)c1cc(Br)c(Sc2ccccc2)o1 85395557 ASZYNYPCADANDE-UHFFFAOYSA-N 299.145 3.892 0 40 CHAB CN(C(=O)[C@@H]1C[C@H]1c1ccco1)c1nc2ccccc2s1 89365678 QSGJOKJLXMZEJZ-GHMZBOCLSA-N 298.367 3.656 0 40 CHAB Cc1noc(C)c1CCN[C@@H](CC(C)C)c1ccccn1 95422126 YSEASXYLTLHARB-KRWDZBQOSA-N 287.407 3.606 0 40 CHAB C[C@H]1CCCC[C@@H]1OCCNc1ncnc2sccc12 95951813 ISVMZUMIGZMQRI-AAEUAGOBSA-N 291.420 3.699 0 40 CHAB C[C@H]1OCC[C@H]1NC(=O)N(c1ccccc1)c1ccccc1 96007781 MVHGFORHZBXIJX-RHSMWYFYSA-N 296.370 3.712 0 40 CHAB C[C@@H](c1ccncc1)N1CCC(NCCC(C)(C)C)CC1 188167199 LTIHBKOAPYEXAC-HNNXBMFYSA-N 289.467 3.633 0 40 CHAB C[C@H](C(=O)O)N(C)c1ccccc1Sc1ccccc1 225004105 YKYLDIBAMDVWBM-GFCCVEGCSA-N 287.384 3.747 0 40 CHAB O=C(COc1cccc2c1CCCC2)Nc1ccc(F)cc1 225609301 YCGUWZUBLXVKLV-UHFFFAOYSA-N 299.345 3.722 0 40 CHAB O=C(c1cccc(F)c1Cl)C(F)(F)Br 306292049 RWOWSBSYJLWVCY-UHFFFAOYSA-N 287.462 3.650 0 40 CHAB O=C(NC1CCC(F)(F)CC1)c1cccc(Cl)c1 341524328 HHQMZRLFFNCDJG-UHFFFAOYSA-N 273.710 3.648 0 40 CHAB Cc1cc(N2CCCC[C@H]2C)nc2c(N)cccc12 685938298 PRORHONPCARVGN-GFCCVEGCSA-N 255.365 3.504 0 40 CHAB Clc1cc(Cl)cc(-n2cnc(Br)c2)c1 953056819 TVXWIXIMOHPJMN-UHFFFAOYSA-N 291.963 3.942 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CCC(=C2CCC2)CC1 1775986101 VMHMCQXRBGDKMS-UHFFFAOYSA-N 280.371 3.884 0 40 CHAB O=C(c1c[nH]c2ccccc12)[C@H](O)c1ccc(Cl)cc1 33817 SJCNNQWSIPIPDF-OAHLLOKOSA-N 285.730 3.738 0 40 CHAB CC1=N/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)O1 292055 IGPWYGIOKDFTAC-MDWZMJQESA-N 287.702 3.916 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccc(Br)o2)c1 311497 JTIXNGPWYHRAAJ-UHFFFAOYSA-N 294.148 3.911 0 40 CHAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 371329 TZYLNFWEWWXTFN-CQSZACIVSA-N 299.370 3.800 0 40 CHAB CCOC(=O)c1sc(Cl)c(Cl)c1Cl 477445 DJWZIPLAGVWICP-UHFFFAOYSA-N 259.541 3.885 0 40 CHAB Cc1cc2n(n1)[C@H](c1ccccc1F)Nc1ccccc1-2 817652 FXQKXEZJDZYFTQ-QGZVFWFLSA-N 279.318 3.970 0 40 CHAB C[C@H](C1CCCCC1)[C@](C)(CCC(=O)O)CC(=O)O 2204676 HAYNPIYDTMTGOL-IAQYHMDHSA-N 270.369 3.549 0 40 CHAB CC(C)n1cnc2cc(NCc3ccncc3)ccc21 2357723 IJGDYTPQGXNSNP-UHFFFAOYSA-N 266.348 3.624 0 40 CHAB CCCOc1c(Cl)cc(/C=C/C(=O)O)cc1OCC 2619129 FYLWDNBTOCCUAF-AATRIKPKSA-N 284.739 3.625 0 40 CHAB CCCOc1ccc(C(=O)CCN2CCCCCC2)cc1 3068309 XJLSIHLNCRSPKR-UHFFFAOYSA-N 289.419 3.924 0 40 CHAB CC(C)c1ccccc1NS(=O)(=O)c1ccccc1F 3581376 MQWSSPFEXGJPHC-UHFFFAOYSA-N 293.363 3.750 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccccc3O)[C@@H]1[C@H]2C 4027125 YHPKSMCKTAILCI-NUKKGAITSA-N 258.361 3.928 0 40 CHAB biogenic O=C(COc1ccccc1F)Nc1ccc(F)c(Cl)c1 6378406 HVKDYDMSXQESNI-UHFFFAOYSA-N 297.688 3.636 0 40 CHAB Cc1cc(F)ccc1NC(=O)C1(c2ccccc2)CC1 7749107 CQGVCLJTXDZREU-UHFFFAOYSA-N 269.319 3.804 0 40 CHAB CCCS[C@@H]1C(C)=C(C)C(=O)N1Cc1ccccc1 8959152 DBIPUVITQZPOAP-MRXNPFEDSA-N 275.417 3.835 0 40 CHAB Cc1nc(CSCCC(=O)NC2CCCCC2)cs1 9040877 GMGSLXXBIKOTPK-UHFFFAOYSA-N 298.477 3.524 0 40 CHAB Cc1ccc2cccc(NC(=O)c3ccccc3)c2n1 11917470 ZVZDQYIFBBEXEK-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB CC1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1 12949867 HTOOHMDRQLUPGV-UHFFFAOYSA-N 292.429 3.744 0 40 CHAB CCCc1sc(C(=O)Nc2nccs2)cc1CC 14430020 AUGPGDHUWKVDBA-UHFFFAOYSA-N 280.418 3.972 0 40 CHAB CCOc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 16211978 DXWTYNKMKSHAOL-YWPYICTPSA-N 290.432 3.560 0 40 CHAB COc1cc2ccccc2cc1C(=O)N1CCC[C@@H](C)C1 16641945 NLMNXOMZGNFICI-CYBMUJFWSA-N 283.371 3.721 0 40 CHAB O=C(O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 19669940 NFLNHAANTYEWTK-CYBMUJFWSA-N 280.682 3.684 0 40 CHAB in-vitro O=C(O)C12c3ccccc3C(c3ccccc31)c1ccccc12 19909216 JZZLUQJJPOYTRC-UHFFFAOYSA-N 298.341 3.913 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(CN)cc2)cc1 20224336 LWPPCLZBRDIVKY-UHFFFAOYSA-N 282.387 3.695 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccco2)on1 25586000 GJRVKIBQJYBANS-LLVKDONJSA-N 294.310 3.526 0 40 CHAB Cc1cc(COC(=O)c2c(C)c(C)c(C)c(C)c2C)on1 32829833 RUXXKOQWYNLUGO-UHFFFAOYSA-N 287.359 3.882 0 40 CHAB Cc1nc(N(C)Cc2cccnc2)c2c(C)c(C)sc2n1 33012135 WJAASLUKODJTDY-UHFFFAOYSA-N 298.415 3.648 0 40 CHAB Cc1ccc(C(=O)CSc2nccn2C2CC2)s1 40071094 SXDUSDCLCVOYRN-UHFFFAOYSA-N 278.402 3.563 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)o1 40107704 NVYAQUFXIRSMEN-LBPRGKRZSA-N 261.346 3.627 0 40 CHAB O=C1Nc2ccccc2[C@@H]1Cc1ccc2ncccc2c1 40313079 FPEZBRSBCHWZEF-HNNXBMFYSA-N 274.323 3.513 0 40 CHAB biogenic Cc1ccc(N[C@H]2OC(=O)c3cccc4[nH]cc2c34)cc1 44900712 AYLFLOSQMXBDBW-INIZCTEOSA-N 278.311 3.757 0 40 CHAB O=C(Nc1cn[nH]c1)N[C@@H](c1cccs1)C1CCCC1 46983614 IRFRVJCSRXQURE-CYBMUJFWSA-N 290.392 3.524 0 40 CHAB CCc1ccc(C(=O)N(Cc2ccccn2)C2CC2)s1 52953421 WEMMLSUQGHJRCQ-UHFFFAOYSA-N 286.400 3.510 0 40 CHAB O=C(c1ccc(F)c(Cl)c1)c1ccccc1F 62791774 HYFXHBDCUVDJQL-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CC(C)n1cc(NC(=O)c2cccc(C(F)(F)F)c2)cn1 66241826 WLWUXGBXIFQGNT-UHFFFAOYSA-N 297.280 3.735 0 40 CHAB O=C(Nc1ccc(Cl)cn1)[C@H]1C[C@@H]1c1cccc(F)c1 67030289 AJFJKCYTLANBIX-OLZOCXBDSA-N 290.725 3.616 0 40 CHAB Cc1ccc(OCC(=O)Nc2c(C)cc(C)cc2N)c(C)c1 70462897 PSWZEPWNTROEJV-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB CN1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214064 XIIKQNIHMBFIOB-HNNXBMFYSA-N 253.349 3.592 0 40 CHAB CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(Cl)nc1)C1CC1 78509665 RSNOLSACENALNP-GHMZBOCLSA-N 280.799 3.774 0 40 CHAB CO[C@H](C)c1cccc(NCc2cccc(O)c2)c1 89905250 UYCKPCVKDMCYCW-GFCCVEGCSA-N 257.333 3.712 0 40 CHAB Fc1cc(OC(Cl)(Cl)Cl)cc(F)c1F 95215679 AEHLFPPQRYTXDJ-UHFFFAOYSA-N 265.445 3.810 0 40 CHAB CCOC(=O)CCCCOc1ccc(Cl)cc1F 95734191 OQXIFPVAJIQVAY-UHFFFAOYSA-N 274.719 3.591 0 40 CHAB Nc1cc(Cl)c(C(=O)c2ccc(Cl)cc2)s1 96190652 LMUKOQMKOGSDIT-UHFFFAOYSA-N 272.156 3.868 0 40 CHAB CCc1ccc([C@H]2CCCN2Cc2nnc(C(C)C)o2)o1 96410349 ZIFIVUAWAOSZLZ-CYBMUJFWSA-N 289.379 3.686 0 40 CHAB Cc1nnc([C@H](C)SC[C@@H](C)c2ccccc2)o1 96496189 FARNOLHADMSNEK-MNOVXSKESA-N 262.378 3.976 0 40 CHAB Oc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 100756876 WNUNVRRVEQLTAT-UHFFFAOYSA-N 287.322 3.769 0 40 CHAB C1CCCN(C2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)CC1 100861235 XCZBNZIWHQGJOM-JFIYKMOQSA-N 276.468 3.515 0 40 CHAB C[C@H](NCc1ccnc(OCC2CC2)c1)c1ccsc1 178040723 MNBGITLPMFUUCE-LBPRGKRZSA-N 288.416 3.783 0 40 CHAB Cc1ccc(Cl)cc1C[C@@H](Oc1ccccc1)C(=O)O 225076374 KQTCOTFDHOWVKM-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)C(C)C 225218394 RFLHBYGTDXYLFF-LBPRGKRZSA-N 271.360 3.623 0 40 CHAB CCCCOc1c(C)cc(NC(=O)C(F)(F)F)cc1C 225588790 JNGZBNJTCVLKIG-UHFFFAOYSA-N 289.297 3.983 0 40 CHAB O=C(c1ccco1)N1CCc2cc(-c3ccncc3)ccc21 225637926 DEHCTMHNUGLHBJ-UHFFFAOYSA-N 290.322 3.545 0 40 CHAB O=C(O)COc1ccc(F)cc1Oc1ccc(Cl)cc1 257218201 DCFSYCQAGJSHAT-UHFFFAOYSA-N 296.681 3.735 0 40 CHAB Cc1nc(C(=O)Nc2ccccc2C(C)C)ccc1F 1888880090 ZLRXUUQQHGOOHB-UHFFFAOYSA-N 272.323 3.905 0 40 CHAB O=C(CCCc1c[nH]c2ccccc12)N1CCCCCC1 249234 VUBJLUZSJQDJIS-UHFFFAOYSA-N 284.403 3.893 0 40 CHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(F)c1 7408995 GSKZHKBISZALCY-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB O=C(Cc1ccc(Cl)cc1)N1CCc2sccc2C1 10885304 YODKUOQJOZELIH-UHFFFAOYSA-N 291.803 3.529 0 40 CHAB O=C(Nc1ccccc1F)N1CCC[C@@H]1c1cccnc1 129703 YJYZQCROADTQPE-OAHLLOKOSA-N 285.322 3.590 0 40 CHAB O=C(NC1c2ccccc2Oc2ccccc21)c1ccco1 1865335 YDSSJMTVMAEZRN-UHFFFAOYSA-N 291.306 3.905 0 40 CHAB Cc1ccc([C@@H](O)c2cnc(C)n2Cc2ccccc2)cc1 3954490 LDUBFHKGOKKYNV-LJQANCHMSA-N 292.382 3.630 0 40 CHAB in-vitro CC(C)OCc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 40541855 IMCMFOPKZSCNJD-KRWDZBQOSA-N 287.403 3.584 0 40 CHAB COc1ccccc1Nc1ncnc2sc3c(c12)CCC3 250237 WXCAGSOYKCYOBM-UHFFFAOYSA-N 297.383 3.932 0 40 CHAB CCOc1cc(CNCc2ccc(F)cc2)ccc1OC 8254361 SFQZCSWLLPOORE-UHFFFAOYSA-N 289.350 3.523 0 40 CHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1 10109641 RCLMKXLYZBKRAE-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB O[C@@H](c1ccc(Oc2ccccc2)cc1)c1ccccn1 59882120 MFHIQJNKKJBXFJ-SFHVURJKSA-N 277.323 3.956 0 40 CHAB O=C(Nc1ccccc1)c1csc(Cc2ccccc2)n1 32913984 WSMHIYVABIZFDW-UHFFFAOYSA-N 294.379 3.986 0 40 CHAB C1CCC(CSc2nnc(NC3CC3)s2)CC1 22174389 ODROFGOWWXWZKW-UHFFFAOYSA-N 269.439 3.785 0 40 CHAB O=C(CN1CCCCC1)n1c2c(c3ccccc31)CCCC2 54097169 NWQWKOGZSRBPRH-UHFFFAOYSA-N 296.414 3.646 0 40 CHAB Fc1ccc(-n2cc3c(n2)-c2ccccc2OC3)cc1 1395722 WEUHUCWDRNQQJX-UHFFFAOYSA-N 266.275 3.571 0 40 CHAB CCOC(=O)c1cnc2c(C)c(C)ccc2c1Cl 1397513 YOXOUHZNQVMBBH-UHFFFAOYSA-N 263.724 3.682 0 40 CHAB COc1ccccc1/C=C1\Sc2ccccc2NC1=O 26894406 ZAYLYXURFLUNJR-GDNBJRDFSA-N 283.352 3.781 0 40 CHAB Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)O 44594138 QMRHMRNGDXFMPD-QMMMGPOBSA-N 298.205 3.934 0 40 CHAB in-vitro Cc1ccc(C)c(C(=O)N2CCC[C@@H]2c2ccncc2)c1 27269380 PGDIAPNBAJWEFP-QGZVFWFLSA-N 280.371 3.676 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)c1cc2ccccc2[nH]1 12796018 FJQIVEUTBBRDNL-LBPRGKRZSA-N 294.354 3.668 0 40 CHAB CCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699770 HMVNUSZZFYFORZ-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB O=C(/C=C/c1cccc(F)c1)NCc1ccccc1Cl 3562339 CLHKOYZCTKJCDX-CMDGGOBGSA-N 289.737 3.809 0 40 CHAB O=C(Cc1ccc2ccccc2c1)NCc1ccccc1F 7755032 DUVCIJAXBAZIRM-UHFFFAOYSA-N 293.341 3.838 0 40 CHAB CN(C(=O)Nc1cccc(Cl)c1)C1CCCC1 4109964 KOGKTVNURHMRLO-UHFFFAOYSA-N 252.745 3.746 0 40 CHAB Cc1csc(Sc2ncnc3sccc23)n1 7983866 LPSVDQDRLCRVLG-UHFFFAOYSA-N 265.388 3.607 0 40 CHAB CN(Cc1nc(O)c2sccc2n1)C1CCCCCC1 14705182 JQBJKTDUSCDVLW-UHFFFAOYSA-N 291.420 3.552 0 40 CHAB Cc1cc(C)c(CN[C@H](C)c2nnc3ccccn23)c(C)c1 15593800 DTWXSAVLINWTFK-OAHLLOKOSA-N 294.402 3.505 0 40 CHAB Fc1cccc(-c2nccc(CCC(F)(F)F)n2)c1 71775757 ZEAAXWCBNUHYQR-UHFFFAOYSA-N 270.229 3.778 0 40 CHAB Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1c(C)cccc1C 19736422 IYGNPZPXJDTRPF-AWEZNQCLSA-N 298.386 3.600 0 40 CHAB Nc1ccc(F)c(NC(=O)c2ccc(Cl)cc2Cl)c1 19736554 HSNKTBVKLPSELZ-UHFFFAOYSA-N 299.132 3.967 0 40 CHAB CC[C@H](C)CSc1nc(-c2ccccc2F)n[nH]1 95410277 GLHQIDXAPOBWJJ-VIFPVBQESA-N 265.357 3.749 0 40 CHAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccsc2)C1 95411112 PTTZMXWKFRYKDA-QWHCGFSZSA-N 298.477 3.564 0 40 CHAB Fc1ccc(F)c(-c2cncc(Br)c2)c1 112927225 ISIYTCQJCKWAGY-UHFFFAOYSA-N 270.076 3.789 0 40 CHAB OC1CCC(NCc2cccc(-c3ccccc3)c2)CC1 77325549 SJFGYCXTFOFUOH-UHFFFAOYSA-N 281.399 3.747 0 40 CHAB Cc1ccc(-n2c(C)nnc2Sc2ccccn2)cc1C 409102191 DBHCWOVSJRVNJW-UHFFFAOYSA-N 296.399 3.739 0 40 CHAB Cc1cc(OCC(=O)N(C)C2CCCC2)cc(C)c1Cl 30859876 FLEOQOYBFYCANR-UHFFFAOYSA-N 295.810 3.737 0 40 CHAB CC(=O)[C@@H]1CCC(c2ccccc2)(c2ccccc2)C[C@H]1O 3844300 CLVLAVFCIQZXKQ-RBUKOAKNSA-N 294.394 3.723 0 40 CHAB biogenic CCCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 35042125 FNVDHYZMYKEWRO-JLHYYAGUSA-N 275.373 3.831 0 40 CHAB CCOc1cccc(C=O)c1OCc1cccc(C)c1 36986106 XGRYHIAXGBTQQB-UHFFFAOYSA-N 270.328 3.785 0 40 CHAB O=C(c1ccc(F)cc1)N1CCSc2ccccc21 37975168 PQXKCJWIRCZNRW-UHFFFAOYSA-N 273.332 3.578 0 40 CHAB C[C@@H]1C[C@@H](C)CN(CCCCOc2ccc(C=O)cc2)C1 217794017 HAEDRGRMWFMHCG-HZPDHXFCSA-N 289.419 3.636 0 40 CHAB Fc1ccc(-c2csc([C@H]3CCCO3)n2)c(F)c1 136493789 RALPLXVGIKVZSU-GFCCVEGCSA-N 267.300 3.940 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)C(C)C 225217866 VOMVGIXNNLTEMI-LSDHHAIUSA-N 277.408 3.622 0 40 CHAB Nc1cc(Cl)c(NC(=O)Cc2ccccc2)cc1Cl 45891601 WOQAQOJXFICYOY-UHFFFAOYSA-N 295.169 3.757 0 40 CHAB CC(C)C(NC(=O)Cc1cccc(Cl)c1)C(C)C 223940085 KETIWZBNQKGVBQ-UHFFFAOYSA-N 267.800 3.679 0 40 CHAB CC[C@@H](C(=O)O)N1c2c(OC)cccc2C(C)=CC1(C)C 223197224 XPDYDDQDQFJTNC-ZDUSSCGKSA-N 289.375 3.560 0 40 CHAB CCn1nc(C)c(CNc2nccc3ccccc23)c1C 527884465 WNELKBHRCPREMN-UHFFFAOYSA-N 280.375 3.680 0 40 CHAB C[C@H](C(=O)Nc1ccc(F)cc1F)c1ccccc1 96318515 GKNYKPSVHKPNRE-JTQLQIEISA-N 261.271 3.707 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=S)NCc1ccc(F)cc1 245285655 YFBJGYBZUDJHJR-TYNCELHUSA-N 294.439 3.615 0 40 CHAB CC(C)([C@@H]1CCCO1)[C@@H]1CC[C@@H](C(C)(C)[C@H]2CCCO2)O1 255188832 LXSJUNVCYSIBBZ-FZKCQIBNSA-N 296.451 3.944 0 40 CHAB COc1c(F)cccc1C(=O)CCC1CCCC1 575358747 CMCRUMVDXMPXOF-UHFFFAOYSA-N 250.313 3.987 0 40 CHAB Fc1cc(Br)ccc1SC(F)F 604221833 YNPWKNVQASWNOB-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB Cc1ccccc1NCC(=O)Nc1ccccc1Cl 15085253 DPLNFXZQTKCHKJ-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB Cc1ccc(C(=O)NCc2ccccc2)cc1Cl 5795270 HMJHETRAAZCLID-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB Cc1cc(NC(=O)c2cccs2)cc2sc(N)nc12 226311119 GOBZRUGQWCSWLX-UHFFFAOYSA-N 289.385 3.501 0 40 CHAB CC(C)n1c(CN2CCCCC2)nc2ccccc21 5235832 JSFLXMMTYOTBOO-UHFFFAOYSA-N 257.381 3.603 0 40 CHAB CCCC[C@H](CC)C(=O)c1ccc2c(c1)OCCO2 37354110 DFMMSDMYXSPELH-LBPRGKRZSA-N 262.349 3.857 0 40 CHAB O=C(/C=C/c1ccoc1)N1CCc2sc(Cl)cc2C1 585148743 BNBYPXZFHVXZHB-OWOJBTEDSA-N 293.775 3.593 0 40 CHAB CC(C)(C)c1csc(NC(=O)c2cccc(F)c2)n1 452470 YTTAGQBQBWNSSS-UHFFFAOYSA-N 278.352 3.832 0 40 CHAB CC(=O)c1c(C(C)=O)c(C)n(-c2cccc(C)c2)c1C 843508 ZRDQUBNGBKQSJC-UHFFFAOYSA-N 269.344 3.808 0 40 CHAB O=C(Nc1nc2ccsc2s1)c1ccccc1 1582581 RAAVLSNJUFAXCZ-UHFFFAOYSA-N 260.343 3.610 0 40 CHAB Cc1cc(C)c(C(=O)c2c(C)cccc2C(=O)O)c(C)c1 1600777 CBCGTVOWIWEJQF-UHFFFAOYSA-N 282.339 3.849 0 40 CHAB CC(C)NCCCCCNc1cccc2cccnc12 1687533 YZWOMVXWGMUEJN-UHFFFAOYSA-N 271.408 3.815 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)c1ccc(O)cc1)C2 2146360 WZBMPPVYPMMRNT-DXCKQFNASA-N 274.360 3.764 0 40 CHAB in-vitro CCOP(=O)(Cc1cc(C)oc1C(C)=O)OCC 2335331 BEJODFKQIBKIMK-UHFFFAOYSA-N 274.253 3.557 0 40 CHAB CSc1ccccc1C(=O)c1cccc(CN2CCC2)c1 2515113 UBTHTRCPKNXYSZ-UHFFFAOYSA-N 297.423 3.845 0 40 CHAB O=C(c1ccccc1CN1CCC1)C1CCCCC1 2515645 IZNDPSHPXNMOCV-UHFFFAOYSA-N 257.377 3.655 0 40 CHAB O=C(NCCOc1cccc2ccccc12)C1CCCCC1 2553833 SAOYBXBPJQYBPL-UHFFFAOYSA-N 297.398 3.915 0 40 CHAB Cc1cc(C)cc(C(=O)OCCOc2ccc(F)cc2)c1 3292248 BQNAARSGXFFSER-UHFFFAOYSA-N 288.318 3.678 0 40 CHAB COc1ccc(C)cc1NC(=O)C1(c2ccccc2)CC1 3453731 CDHXKLJSZNAANL-UHFFFAOYSA-N 281.355 3.674 0 40 CHAB CCCCC(=O)Oc1cc2c(C)cc(=O)oc2cc1Cl 4103904 AAVHBVYGUIFLCW-UHFFFAOYSA-N 294.734 3.850 0 40 CHAB CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@H](C)[C@@H]3CC[C@@]12C 5275460 CPKPUIIUQANSBI-RCWMJGLXSA-N 262.393 3.633 0 40 CHAB Cc1cccc(C2=N/C(=C/c3cc(C)ccc3C)C(=O)O2)c1 5619501 UEXYTHPVZBDSIO-GZTJUZNOSA-N 291.350 3.956 0 40 CHAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 5864875 MLXGSXBLEPFHFC-CQSZACIVSA-N 283.371 3.963 0 40 CHAB CCn1c(C)c(C(C)=O)s/c1=N\c1ccc(Cl)cc1 6356727 QVNYIPRIASUULI-PEZBUJJGSA-N 294.807 3.966 0 40 CHAB COc1ccc(NC(=O)C(C)(C)c2ccccc2)c(OC)c1 7307259 PQOIGEZIOSKDIV-UHFFFAOYSA-N 299.370 3.620 0 40 CHAB CCc1ccc(NC(=O)Cc2cccc(F)c2)cc1 8080866 HADDXCADEPUIRE-UHFFFAOYSA-N 257.308 3.569 0 40 CHAB Cc1ccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)c(O)c1 10751561 JCMZNVZQFKKSKZ-NWDGAFQWSA-N 278.421 3.566 0 40 CHAB CCOc1ccccc1Oc1ccc(C(=O)O)cc1 11993463 PJZFUDVCECUSEI-UHFFFAOYSA-N 258.273 3.576 0 40 CHAB CCC(CC)c1nnc(NC(=O)c2cc(C)oc2C)s1 12787606 VQEHDRUHMCVKHD-UHFFFAOYSA-N 293.392 3.904 0 40 CHAB COc1cc2nccc(Oc3cccc(N)c3)c2cc1OC 13859457 KOTHQRYMXOUUHZ-UHFFFAOYSA-N 296.326 3.627 0 40 CHAB in-vivo CSc1ccccc1C(=O)NCCc1ccc(F)cc1 16640230 DYCUMDKRMYUAOY-UHFFFAOYSA-N 289.375 3.520 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1ccnc(Cl)c1 19813470 NEKIOWHVFAQSCZ-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB C[C@@H]1CCc2onc(C(=O)Nc3ccccc3Cl)c2C1 20572149 WJFTYKBOURYDJI-SECBINFHSA-N 290.750 3.705 0 40 CHAB Cc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 21898777 FLQDQAFJHWJPLQ-HNNXBMFYSA-N 283.396 3.962 0 40 CHAB Cc1n[nH]cc1CN[C@H](c1cccs1)C1CCCC1 37128920 LCGQRBWRJVEKIL-HNNXBMFYSA-N 275.421 3.801 0 40 CHAB CCOc1ccc(C(=O)c2cccc(Cl)c2)cc1 37358369 ZMZFMDGJZHPZAM-UHFFFAOYSA-N 260.720 3.970 0 40 CHAB O=C1CCCc2c(OCc3ccccc3)cccc21 39043183 MIXYKCZHTSEKKW-UHFFFAOYSA-N 252.313 3.785 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)c(F)c1 40098496 DGVHWFIZPSGAEQ-LLVKDONJSA-N 276.311 3.918 0 40 CHAB CCCc1nn2c(C)c(-c3ccc(F)cc3)nc2s1 40963619 VRNFIYQJQKZVNR-UHFFFAOYSA-N 275.352 3.858 0 40 CHAB OCc1ccc(-c2nc3ccccc3o2)cc1Cl 41127202 JEEIDHQAKZFHDD-UHFFFAOYSA-N 259.692 3.641 0 40 CHAB Cc1cc(Cl)ccc1OCC[C@H]1CCCCN1 42770641 OONYCBKEPLAZPX-CYBMUJFWSA-N 253.773 3.559 0 40 CHAB C[C@H](CNC(=O)CCc1ccccc1)c1ccccc1 43700804 KIGKDEBDVHDZKO-OAHLLOKOSA-N 267.372 3.539 0 40 CHAB O=C(Nc1ccccc1)N(Cc1ccsc1)C1CC1 44446742 MYRKHZLCASDBET-UHFFFAOYSA-N 272.373 3.945 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1C 44843170 AFAXRONFZVWBII-GOSISDBHSA-N 297.398 3.777 0 40 CHAB CCc1ccc(C(=O)Nc2c(C)cc(N)cc2CC)cc1 45888543 ICBQWWUPHKCRSU-UHFFFAOYSA-N 282.387 3.954 0 40 CHAB O=c1[nH]c(-c2ccco2)nc2scc(-c3ccco3)c12 47682161 XYFWFJUUFUVFQR-UHFFFAOYSA-N 284.296 3.505 0 40 CHAB CCCCCC(=O)NCc1ccc(CN(CC)CC)cc1 48313832 FXHVGYIRAMFOPN-UHFFFAOYSA-N 290.451 3.725 0 40 CHAB Cc1cccc(CSc2ncn(-c3ccccc3)n2)c1 48406137 YQPWOTXMQSDFBP-UHFFFAOYSA-N 281.384 3.868 0 40 CHAB CC(C)c1cc2cc(Br)ccc2nc1N 63118245 UBXFYPCFXCADEQ-UHFFFAOYSA-N 265.154 3.703 0 40 CHAB Fc1cccc(CNc2cccc(Br)n2)c1 69017538 WZOQFBWWCYBZCP-UHFFFAOYSA-N 281.128 3.595 0 40 CHAB in-vitro O=C(C1CC1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 69454216 SWJDVNRZQBVECV-CYBMUJFWSA-N 283.293 3.779 0 40 CHAB CCCNc1ccc([C@@H]2CCCCN2CCC)cn1 72213212 QJWLBMOLIOFMST-HNNXBMFYSA-N 261.413 3.841 0 40 CHAB CCCN1CCCC[C@@H]1c1cnc(S)c(C)c1 72218278 YFOJOXFZSTVKJS-CYBMUJFWSA-N 250.411 3.616 0 40 CHAB CC(=O)N1CCC[C@H](c2ccc(-c3ccc(C)cc3)cn2)C1 72364996 UJTLKZNFJJNHAQ-SFHVURJKSA-N 294.398 3.783 0 40 CHAB C[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)[C@H](c2ccco2)C1 75388735 KFKLXQUBBKVNPA-ILXRZTDVSA-N 291.391 3.538 0 40 CHAB Cc1nc(Cl)cc(-c2ccc(Br)cc2)n1 78401123 HVINHVAKPDWYCX-UHFFFAOYSA-N 283.556 3.868 0 40 CHAB COc1cccc(C[S@](=O)[C@H](C)c2ccc(F)cc2)c1 78556271 CROJLQIRSROQEA-MPBGBICISA-N 292.375 3.844 0 40 CHAB Cc1ncc(/C=C/C(=O)N(Cc2ccccc2)C2CC2)s1 78996123 YVMBFVYEVPPEDO-MDZDMXLPSA-N 298.411 3.656 0 40 CHAB Cc1nnc(CSCCCOc2cccc(Cl)c2)o1 95965643 MSERBRQPTVWMDN-UHFFFAOYSA-N 298.795 3.734 0 40 CHAB Cc1ccc([C@H]2CCCCCN2C(=O)C[C@H]2CCCO2)o1 98012615 KPSCBUUTVIGIBQ-HUUCEWRRSA-N 291.391 3.601 0 40 CHAB COc1cccc(NC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 100796311 XADCVSJYYXXUHF-BRXULGCHSA-N 288.391 3.641 0 40 CHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 103210194 TYQWYBWNFZCZMT-QMTMVMCOSA-N 299.414 3.965 0 40 CHAB C/C=C(\CN/C(=C/[N+](=O)[O-])c1ccccc1)c1ccccc1 104237365 YXIBWPUZIBVQEV-WBTGZNGMSA-N 294.354 3.955 0 40 CHAB CN(C(=O)N[C@H](c1cc2ccccc2o1)C1CC1)C1CC1 195530317 ZWCCKWBXGDUIOR-INIZCTEOSA-N 284.359 3.688 0 40 CHAB CCN(CC)c1ccc(C(=O)C(F)(F)Cl)cc1 196629675 ZEMRXUBJFAJRJI-UHFFFAOYSA-N 261.699 3.547 0 40 CHAB CC(C)c1ccc(-n2ncc3c2C[C@H](C)CC3=O)cc1 199733931 KVWOJMJOAYFOSF-LBPRGKRZSA-N 268.360 3.761 0 40 CHAB COCc1cc(C(=O)Nc2c(C)cccc2C)ccc1OC 224395497 BYLVUFLADJMCJW-UHFFFAOYSA-N 299.370 3.711 0 40 CHAB CCN(CC(=O)O)c1ccccc1Sc1ccccc1 225004314 SUHQRFFCAGXDSD-UHFFFAOYSA-N 287.384 3.749 0 40 CHAB CC[C@H](NC(=S)Nc1cccnc1)c1ccccc1C 225759320 LIQJIGRENVTYAQ-HNNXBMFYSA-N 285.416 3.828 0 40 CHAB CCn1c2ccccc2c2cc(CN(C)C)ccc21 1142852761 LZUQLSHEKJDTQL-UHFFFAOYSA-N 252.361 3.876 0 40 CHAB C[C@H](NC(=O)CSc1cccs1)c1cccs1 36391547 RKRZMIKXXIDWJN-VIFPVBQESA-N 283.443 3.779 0 40 CHAB c1ccc(N2N=N[C@H]3CCCC[C@]32N2CCCCC2)cc1 1720266 UETWMCKMAXGEOO-DLBZAZTESA-N 284.407 3.999 0 40 CHAB CC(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1 3455424 LPVGATXTBAOPFJ-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB COc1ccc(NC(=O)CCSc2ccccc2)cc1 6406373 UDYDUEJZVLFTDQ-UHFFFAOYSA-N 287.384 3.816 0 40 CHAB CC(C)[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(F)cc1 67816331 QECGDRKVKPHXAD-QWHCGFSZSA-N 265.372 3.555 0 40 CHAB Nc1ccccc1-c1ccccc1OC(F)(F)F 2572328 AYVFXUXDUIPECW-UHFFFAOYSA-N 253.223 3.834 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3cc(C)ccc3C)C(=O)[C@H]2C1 100526879 FPPHWZSYQMTFLS-GASCZTMLSA-N 283.371 3.539 0 40 CHAB CCCc1noc([C@H](C)N(C)CC2CCCCC2)n1 32769964 PMKRWRUYGVAVEY-LBPRGKRZSA-N 265.401 3.595 0 40 CHAB CN(C(=O)c1sccc1-n1cccc1)c1ccccc1 29293130 NEFMFWRQBXWPBD-UHFFFAOYSA-N 282.368 3.815 0 40 CHAB Cc1cc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)no1 100616975 XYHVTTSNAVPQMC-UNXMRWRESA-N 288.391 3.918 0 40 CHAB c1ccc(-c2noc(CN3CCCc4ccccc43)n2)cc1 7587906 BIIPTGPUCXJAJJ-UHFFFAOYSA-N 291.354 3.689 0 40 CHAB O=C(CCCc1ccccc1)N(Cc1ccncc1)C1CC1 46744538 SBAQJZMUMKEWBU-UHFFFAOYSA-N 294.398 3.596 0 40 CHAB Clc1cc(Cl)c(OC[C@H]2CCNC2)cc1Cl 42772336 YKMNRGDEMOIOLL-ZETCQYMHSA-N 280.582 3.635 0 40 CHAB CCc1ccccc1NC(=O)CCNc1ccccc1 24450178 GAEKUESXPAEABM-UHFFFAOYSA-N 268.360 3.690 0 40 CHAB O=C(c1cccc(C(F)(F)F)c1)c1cccs1 34472339 HZSMAMMINJXQME-UHFFFAOYSA-N 256.248 3.998 0 40 CHAB COc1ccc(CNC2=Nc3ccccc3CS2)cc1 1397118 XJVPNXKEWSFGSO-UHFFFAOYSA-N 284.384 3.719 0 40 CHAB O=C(c1c[nH]c(-c2ccccn2)c1)c1cc(Cl)ccc1O 12597361 QIYKBLTUYBUTAE-UHFFFAOYSA-N 298.729 3.667 0 40 CHAB COc1ccc(C(=O)Oc2ccccc2Cl)c(OC)c1 3249124 USHOKAFRMIYXAE-UHFFFAOYSA-N 292.718 3.576 0 40 CHAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc3ccccc23)C1 7787476 KGAQXFONLOFKIA-GJZGRUSLSA-N 296.414 3.899 0 40 CHAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1F 12809391 NNXOELVSDKWZIA-PWSUYJOCSA-N 289.272 3.677 0 40 CHAB C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1cccnc1 13744805 OHNCFUMLNAPMFW-VIFPVBQESA-N 293.729 3.757 0 40 CHAB CCSc1ccccc1C(=O)Nc1cccc(C)n1 4739565 BXIUUJQRQZPSCB-UHFFFAOYSA-N 272.373 3.754 0 40 CHAB CNCCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 4999765 RJAIBHYZNVXEFI-UHFFFAOYSA-N 292.810 3.608 0 40 CHAB Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1C 7053041 PXDUZMBQPWKVBI-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB Cc1ccc(F)c(NC(=O)COc2ccccc2Cl)c1 15543757 QHXYOXWGXQARQG-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB CCc1nc2c(C)cccn2c1C(=O)N1CCCC[C@@H]1CC 71460495 KEYIYWQBLJIJSA-AWEZNQCLSA-N 299.418 3.610 0 40 CHAB O=C(c1occc1-c1ccccc1)N1CCc2cnccc21 97108850 IKDZABJGQBOZIP-UHFFFAOYSA-N 290.322 3.545 0 40 CHAB O=C(O)c1ccccc1Sc1nc(Cl)cs1 9953696 IRHBDSNZSBMQEA-UHFFFAOYSA-N 271.750 3.646 0 40 CHAB CCN(Cc1ccccc1)c1ccc(C=O)c(C)c1 21999893 JCWHSNMPOWXNFP-UHFFFAOYSA-N 253.345 3.834 0 40 CHAB Cc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)c(C)c1 70461266 OCNRTUVUJOALLO-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB CCCCN1C(=O)S/C(=C\Nc2ccc(F)cc2)C1=O 36636205 ROPUNTSCDIXXRC-XFXZXTDPSA-N 294.351 3.575 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](Sc2ccccn2)C1 71257497 GPNFYXYTEJVSDQ-GFCCVEGCSA-N 294.420 3.573 0 40 CHAB Cc1ccc2nc(-c3cc(N)c(C)c(N)c3)sc2c1 45923399 DKZFDKHOUZLNKU-UHFFFAOYSA-N 269.373 3.745 0 40 CHAB O=C(CSc1ccncc1)N(CC1CC1)c1ccccc1 84243440 ALTKOHXTHUKENT-UHFFFAOYSA-N 298.411 3.617 0 40 CHAB Cc1cc(Br)c2c(F)ccc(C)c2n1 85386420 DOMMEAXTRIGRPZ-UHFFFAOYSA-N 254.102 3.753 0 40 CHAB CC[C@H](C(=O)O)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223198147 GATFTHUXNHOUOE-GXFFZTMASA-N 279.355 3.781 0 40 CHAB O=C([C@H]1CCCC12CC2)N1CC[C@@H](c2cccc(F)c2)C1 528430514 CYFHYZTUTVIYMU-GDBMZVCRSA-N 287.378 3.722 0 40 CHAB Cc1ccc(F)cc1C(=O)C(F)(F)C(F)(F)F 95917047 BBMNLMUDVJWAFF-UHFFFAOYSA-N 256.145 3.514 0 40 CHAB CCCCCCC(=O)c1cc(OC)ccc1OC 95916716 HABCXCSIWBVLJM-UHFFFAOYSA-N 250.338 3.857 0 40 CHAB Cc1nn(C2CCCC2)cc1CNc1ccn(C(F)F)n1 256051889 KXVPDWNZJAXOPX-UHFFFAOYSA-N 295.337 3.510 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCc1ccccc1)[C@H]2OC=O 254395467 RLHWKPHEDMEOHF-CUSZFKRNSA-N 288.387 3.570 0 40 CHAB Cc1cc(Br)cc(C)c1NC(=O)N1CCCC1 48466559 HUEQOKNNVPTVOV-UHFFFAOYSA-N 297.196 3.694 0 40 CHAB Fc1cc([C@H]2CCCCN2)ccc1OC(F)(F)F 575183643 SKIXLXALYGHERN-SNVBAGLBSA-N 263.234 3.539 0 40 CHAB CCCCC[C@H](CN(C)C)[C@H](O)/C=C\c1ccccc1 5052730 DEETXEARXAKUHP-RUDFYFPKSA-N 275.436 3.819 0 40 CHAB Cc1cc(Oc2ccccc2O)nc(-c2ccccc2)n1 12391540 JRUNGXHYSALQDF-UHFFFAOYSA-N 278.311 3.950 0 40 CHAB Cc1cc(C)cc(NC(=O)N2CCc3ccccc3C2)c1 15899654 RLELTFHLCHYBKM-UHFFFAOYSA-N 280.371 3.894 0 40 CHAB COc1cc(CNc2cccc(C)c2C)ccc1O 19964219 QCBJXQXDOQQBBJ-UHFFFAOYSA-N 257.333 3.630 0 40 CHAB Cc1cc(NC(=O)N[C@H](C)c2cc(C)sc2C)no1 31662807 SAKIEZBLSASFLC-SECBINFHSA-N 279.365 3.544 0 40 CHAB Cn1cc(/C=C2/SC(=S)N=C2O)c2ccccc21 1059599 FBVDWZXGSDXXCF-IZZDOVSWSA-N 274.370 3.507 0 40 CHAB CCn1/c(=N\C(=O)c2ccccc2C)sc2ccccc21 12180879 WYVGLHWGYPVIGY-ISLYRVAYSA-N 296.395 3.772 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1c(Cl)cccc1Cl 575360955 VDGFZUWPWVLVCI-UHFFFAOYSA-N 275.131 3.518 0 40 CHAB CC(C)(C)NC(=S)Nc1ccc(F)c(Cl)c1 89901 PPKHGACQRZCPHB-UHFFFAOYSA-N 260.765 3.564 0 40 CHAB NC(=S)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 128079 BBRJGUROVZDJPY-UHFFFAOYSA-N 287.228 3.553 0 40 CHAB CCOc1ccc2nc(NC(=O)[C@@H](C)CC)sc2c1 364508 SBYMDNRUQAFDQT-VIFPVBQESA-N 278.377 3.680 0 40 CHAB O=C(OCc1nc2ccccc2s1)c1ccc(F)cc1 381334 NTIDMTFXCSMODC-UHFFFAOYSA-N 287.315 3.792 0 40 CHAB Clc1ccc(Cc2nnc(-c3ccco3)o2)cc1 412716 HWUHZGSJNAFZCC-UHFFFAOYSA-N 260.680 3.574 0 40 CHAB S=C1N(C2CCCCC2)CCN1C1CCCCC1 1666693 NUCTZZKROHNYPU-UHFFFAOYSA-N 266.454 3.554 0 40 CHAB O=C(O)CCCCCCC(=O)c1ccccc1Cl 2518021 WZQZLNOXRQSGBB-UHFFFAOYSA-N 268.740 3.948 0 40 CHAB COc1cccc(C(=O)Oc2ccc(C)c(C)c2)c1 2593441 IYTHMLNYHIWVPH-UHFFFAOYSA-N 256.301 3.531 0 40 CHAB CCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 2638016 XYPIIEBUPPJUAR-UHFFFAOYSA-N 274.360 3.870 0 40 CHAB CCCO[P@@](C)(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4026612 IRSGFXOKDNHIQR-IQUTYRLHSA-N 289.356 3.517 0 40 CHAB biogenic Cc1cccc(-n2nc(C(=O)O)cc2-c2ccccc2)c1 5022756 XDKDJRWOHMIRGN-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB in-vitro CCC[C@@H](CC)[C@H](C(=O)OCC)C1=NC(C)(C)C[C@H](C)O1 5105505 DVDAUYKMYNRTGT-MJBXVCDLSA-N 297.439 3.978 0 40 CHAB O[C@@H]1c2ccccc2-c2ccc3ccccc3c2[C@H]1O 5935177 LMNSFGGRBHRGSN-QZTJIDSGSA-N 262.308 3.587 0 40 CHAB CC[C@H](NC(=O)[C@@H]1CCCO1)c1ccc([C@H](C)CC)cc1 6698295 JLUUSXYQFJQHRS-COXVUDFISA-N 289.419 3.946 0 40 CHAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1 7428131 WHOZUKHQJWDQRW-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@H]1CC=CCC1 7609516 QCSHFLQAESJMKF-JTQLQIEISA-N 280.165 3.744 0 40 CHAB Cc1ccc(NCc2ccc3c(c2)C[C@H](C)O3)cc1 10299498 CQUJYYKBAXGBOR-ZDUSSCGKSA-N 253.345 3.931 0 40 CHAB CSc1ccccc1C(=O)N1c2ccccc2C[C@@H]1C 10449673 IHBXCXDIUUWGPI-LBPRGKRZSA-N 283.396 4.000 0 40 CHAB Cc1cc(OCC(=O)Nc2ccccn2)ccc1C(C)C 12558059 YHVJRCFVFARAMS-UHFFFAOYSA-N 284.359 3.531 0 40 CHAB CCc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 16237560 ARJPJMAJTBEQAE-GUTXKFCHSA-N 274.433 3.724 0 40 CHAB CCCCc1nc(Cl)n(-c2ccc(Cl)cc2)n1 22125310 CWTDAKVZZGDMDZ-UHFFFAOYSA-N 270.163 3.917 0 40 CHAB Clc1ccc(COC[C@H]2CCCNC2)cc1Cl 28521985 CEGNUXJEBIUJDL-NSHDSACASA-N 274.191 3.510 0 40 CHAB C[C@H](C(=O)N[C@H](C)c1ccccc1)c1ccccc1 34245301 ZWNCJNODOVPNTF-UONOGXRCSA-N 253.345 3.668 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 36623477 RKZQJYWMEDYYKV-HUUCEWRRSA-N 297.398 3.894 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(C)n1 40051497 IMZGLAARHHIPLI-AWEZNQCLSA-N 286.400 3.601 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cc(F)c(Cl)cc1Cl 42673839 RHFOZDXALJMSIU-CSMHCCOUSA-N 290.165 3.966 0 40 CHAB CCCCOc1ccc(C(=O)c2ccc(C)nc2)cc1 45029088 MHPQCUORULUBBI-UHFFFAOYSA-N 269.344 3.800 0 40 CHAB CCN(CC)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 56731878 YNSUVHFGZLJFCK-UHFFFAOYSA-N 287.363 3.832 0 40 CHAB CCCCN1CCCC[C@@H]1c1ccc(NC)nc1C 72219124 YMKFQLWRSKTWRP-OAHLLOKOSA-N 261.413 3.759 0 40 CHAB CC[C@H](N)c1cnc(N(C)c2ccccc2)c(C)c1 72222310 ZQFDJRIRGMHVOA-HNNXBMFYSA-N 255.365 3.568 0 40 CHAB Cc1cc(NCc2ccccc2C(F)(F)F)no1 83413805 NYYKDCSFQZDGBA-UHFFFAOYSA-N 256.227 3.614 0 40 CHAB C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc2c(c1)CCO2 84691865 VRQMBWWRVWSHOI-SWLSCSKDSA-N 288.391 3.664 0 40 CHAB CSc1ccc(NC(=O)N(C)Cc2ccco2)cc1F 96435399 NKBUXJVDVZANTF-UHFFFAOYSA-N 294.351 3.805 0 40 CHAB CN(Cc1cc2ccccc2o1)C(=O)CCc1ccco1 96445191 XZDXHYGGCVFNIO-UHFFFAOYSA-N 283.327 3.617 0 40 CHAB CCCOc1ccc(NC(=O)c2cc(C)oc2C)cc1 122558548 ZLTLWSIJFUJVSV-UHFFFAOYSA-N 273.332 3.938 0 40 CHAB CC(C)Oc1ccccc1C(=O)NCCCc1ccccc1 219739468 YVFHEGXYBQDWFE-UHFFFAOYSA-N 297.398 3.836 0 40 CHAB CCOc1ccccc1CNC(=O)Cc1ccc(C)cc1C 225175390 NJIALAXAMTYDRC-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB CC(C)CNC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 225987013 GUQMSEVWFSEANB-UHFFFAOYSA-N 293.798 3.656 0 40 CHAB Nc1n[nH]c2ccc(C(F)(F)c3cc(F)cc(F)c3)cc12 261506986 DFEPQXFPXWVCBF-UHFFFAOYSA-N 295.239 3.563 0 40 CHAB CCc1nn(C)cc1NCc1ccc(Oc2ccccc2)o1 503587344 SPXMKXNWMSZZRP-UHFFFAOYSA-N 297.358 3.980 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(C)c(Cl)c1 575357903 DQFPAWIRFAGMPM-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB O=C(/C=C/c1ccoc1)NCc1ccc(-c2ccsc2)o1 575609792 HCYWIBPSWBMDOD-DAFODLJHSA-N 299.351 3.931 0 40 CHAB Cc1cccc2nc(-c3cccs3)cc(CO)c12 685937413 OYUAFOCPXPDFMO-UHFFFAOYSA-N 255.342 3.764 0 40 CHAB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1 173459 MRQNFRMHWBTRGX-UHFFFAOYSA-N 277.538 3.759 0 40 CHAB CCOC(=O)Nc1nc(C)c(-c2ccccc2)s1 1581236 OHFFQWHWJNCBCE-UHFFFAOYSA-N 262.334 3.687 0 40 CHAB COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1 287989 MGCBFVNPJJRODR-UHFFFAOYSA-N 287.384 3.734 0 40 CHAB CCCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 4575200 DWRFIWOMCMLVCI-UHFFFAOYSA-N 298.773 3.992 0 40 CHAB O=C1C[C@@H](c2cccs2)Cc2c1cnn2-c1ccccc1 4992917 KVPPDEJRNOXQNK-LBPRGKRZSA-N 294.379 3.847 0 40 CHAB CCCCCCC(=O)Nc1ccc(Cl)c(N)c1 8732399 JUCXPPSCKZARCM-UHFFFAOYSA-N 254.761 3.831 0 40 CHAB CSc1ccccc1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102270679 KSSZACFWZNLZFE-SDDRHHMPSA-N 259.374 3.559 0 40 CHAB Cc1ccc(-c2onc3ccc(C(=O)O)cc23)cc1 9607360 HLSBMOWPXCBDEU-UHFFFAOYSA-N 253.257 3.501 0 40 CHAB O=C1O[C@@H](Nc2ccc(Cl)c(Cl)c2)c2ccc#cc21 102813271 QDLZESXDNAAFJD-CYBMUJFWSA-N 292.121 3.875 0 40 CHAB c1ccc(Oc2cccc(CNC[C@H]3CCCO3)c2)cc1 810261 HIQAVZNLSCKULU-GOSISDBHSA-N 283.371 3.748 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cnc2ccccc2c1 104688876 OZVTXTLDYZVVBF-YDHLFZDLSA-N 280.371 4.000 0 40 CHAB Cc1cc(C)c2oc(-c3cc(N)c(C)c(N)c3)nc2c1 57351255 CHVBDZYYDOISLM-UHFFFAOYSA-N 267.332 3.584 0 40 CHAB Oc1ccc(Cl)cc1-c1cc(C(F)(F)F)no1 12428513 WXDBAAOCXPMTET-UHFFFAOYSA-N 263.602 3.719 0 40 CHAB O=C1CS[C@H](c2ccco2)N1Cc1ccc(Cl)cc1 27754597 KSCSJFWPCLLVRM-CQSZACIVSA-N 293.775 3.707 0 40 CHAB Cc1ccc2c(CC(=O)NCc3ccccc3)coc2c1 3524900 SBZMTWLQXAPLIP-UHFFFAOYSA-N 279.339 3.600 0 40 CHAB Cc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 3554352 IMVBUWKJXKWMBT-UHFFFAOYSA-N 285.412 3.865 0 40 CHAB CC[C@@H](NC(=O)C1CC1)C12CC3CC(CC(C3)C1)C2 16990219 MGTQQPZFQBUSHN-XWWZASNVSA-N 261.409 3.508 0 40 CHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccn1 8279108 XOZZZKCRUPSZHG-LLVKDONJSA-N 297.383 3.525 0 40 CHAB CCc1ccc(/C=C/c2nc3ccccc3c(=O)n2C)cc1 5295834 QQLJPQFZIHMZAB-OUKQBFOZSA-N 290.366 3.666 0 40 CHAB Cn1c([C@H]2CC[C@@](C)(C(=O)O)C2(C)C)nc2ccccc21 6388313 ZDWSEERXYLZOGE-DIFFPNOSSA-N 286.375 3.568 0 40 CHAB Cc1ccc2nc(NC(=O)Cc3ccsc3)sc2c1 5443092 DQDRRRIFTOQCBI-UHFFFAOYSA-N 288.397 3.847 0 40 CHAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCCC1 4691516 GLZJGWKYYBTUSM-UHFFFAOYSA-N 276.767 3.838 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](CC)Oc1cc(C)ccc1C 22523406 VFQMNQCKDNZYRR-CABCVRRESA-N 277.408 3.766 0 40 CHAB O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)C1CC1 67067760 PBJPECZSFNEIID-ZDUSSCGKSA-N 298.411 3.764 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)cc1 113945539 UURIHBMZGBABNW-AWEZNQCLSA-N 277.408 3.559 0 40 CHAB O[C@H](c1ccc(C(F)(F)F)c(Cl)c1)C(F)(F)F 1536086837 ZDYYDGWWQVUKHI-SSDOTTSWSA-N 278.579 3.955 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)C1CCCC1 38754780 RMPGMLZQYRHHIL-AWEZNQCLSA-N 295.810 3.898 0 40 CHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](C)C1 38755560 YAVWVRWGCYMUBL-WFASDCNBSA-N 295.810 3.756 0 40 CHAB CCOc1ccc(NC(=O)Cc2ccc(CC)cc2)cc1 223097627 QKWLWRMERUBBLN-UHFFFAOYSA-N 283.371 3.829 0 40 CHAB COc1ccc(CC(=O)Nc2c(C)cccc2C)cc1C 225394419 CKKWDSAGILQYGM-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB CNc1cc(C)c2oc(Cc3ccccc3)nc2c1 226271172 WLTLTZZRFYGVND-UHFFFAOYSA-N 252.317 3.769 0 40 CHAB CC(C)[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1 41103865 WMSIBYFZAAPOEN-LLVKDONJSA-N 285.840 3.734 0 40 CHAB CCc1ccc(Nc2ccc(N)cc2C(=O)NC(C)C)cc1 225466907 FHDRAWDKTSXZMM-UHFFFAOYSA-N 297.402 3.713 0 40 CHAB CCCc1sc(/C=C/C(=O)O)cc1Br 85394031 GQENOPFBIKWYTJ-SNAWJCMRSA-N 275.167 3.561 0 40 CHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225651665 AMHLBDGGQBXAQM-QGZVFWFLSA-N 293.407 3.926 0 40 CHAB O[C@H](c1ccc(F)c(Br)c1)C1CCCC1 82676991 WABIDLIMDOPGSZ-LBPRGKRZSA-N 273.145 3.812 0 40 CHAB CC[C@H](Nc1cncc(-n2ccnc2C)n1)c1cccs1 195575533 LKQYWYLIKAXGQP-LBPRGKRZSA-N 299.403 3.595 0 40 CHAB Cc1cc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)no1 96492243 VOWKYKBEPGCPCX-CQSZACIVSA-N 293.370 3.896 0 40 CHAB O=C(NC1CCCCC1)C(F)(F)Sc1ccccc1 256049617 AQXPYNVCXYWJIN-UHFFFAOYSA-N 285.359 3.820 0 40 CHAB c1nn(C2CCCC2)cc1CNc1cnn(C2CCCC2)c1 256050681 GDALQJKIKVUFSQ-UHFFFAOYSA-N 299.422 3.922 0 40 CHAB COc1ccc(C(=O)CCCCCl)c(Cl)c1 390130242 JKJYIRJJNQRVCW-UHFFFAOYSA-N 261.148 3.940 0 40 CHAB Cc1ccc(-n2nc(-c3ccccc3)cc2O)cc1 100070170 CUKIYXBQMKSPDY-UHFFFAOYSA-N 250.301 3.553 0 40 CHAB COc1ccc(-c2[nH]nc(C(F)F)c2Cl)cc1 16158900 AQYOAKLMQCWPCX-UHFFFAOYSA-N 258.655 3.676 0 40 CHAB Cc1csc(NC(=O)Nc2cn(C)c3ccccc23)n1 5265873 DQKNYPXCHWHTCS-UHFFFAOYSA-N 286.360 3.587 0 40 CHAB O=c1c2ccccc2ncn1-c1cccc2ccccc12 5605031 HSZSCVSVDQPXQS-UHFFFAOYSA-N 272.307 3.539 0 40 CHAB Cn1ccnc1Sc1ccnc2cc(Cl)ccc12 5635126 IJIUMZQFLCVOKA-UHFFFAOYSA-N 275.764 3.773 0 40 CHAB Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)O)cc2)cc1 5968119 YRWLLLWIGLFBFP-MHWRWJLKSA-N 293.322 3.523 0 40 CHAB Cc1ccc2[nH]c(CCc3nc4ccc(C)cc4[nH]3)nc2c1 12481484 FWZBLSXNXIYENA-UHFFFAOYSA-N 290.370 3.841 0 40 CHAB O=C(NCCc1ccc(-c2cccs2)s1)C1CC1 1889125030 AOEJRDHOVUUPNE-UHFFFAOYSA-N 277.414 3.545 0 40 CHAB O=C(/C=C/c1cccs1)Nc1nc2c(s1)CCCC2 4078615 SRXIRAVQDMNAFE-BQYQJAHWSA-N 290.413 3.735 0 40 CHAB Cc1cccc(Cn2c(=O)cc(C)c3ccccc32)c1 20031623 YHLUHKIUOWYDCE-UHFFFAOYSA-N 263.340 3.667 0 40 CHAB Cn1c(SCc2ccc(Cl)s2)nnc1C1CC1 40159112 QNCSONDVNJDMCK-UHFFFAOYSA-N 285.825 3.700 0 40 CHAB c1ccc2c(c1)CCC[C@H]2Sc1nnc2ccccn12 40114215 PEPLYFUXSYUTDX-CQSZACIVSA-N 281.384 3.899 0 40 CHAB Cc1sc2ncnc(N3CCc4ccccc4C3)c2c1C 91649 YXDGYQIVNKFPQS-UHFFFAOYSA-N 295.411 3.871 0 40 CHAB CC(=O)c1cccc(Nc2ncnc3ccccc23)c1 118588 GIROZUSLLFRUDH-UHFFFAOYSA-N 263.300 3.576 0 40 CHAB Cc1n[nH]c(=S)n1-c1ccc(OCc2ccccc2)cc1 128021 VSTBONUOIOMHSE-UHFFFAOYSA-N 297.383 3.817 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2)c1C 265009 OXGIASHTSLAMHY-UHFFFAOYSA-N 290.750 3.740 0 40 CHAB CCc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 429461 PIHVWTAQUNNJDE-UHFFFAOYSA-N 284.359 3.649 0 40 CHAB Cc1cc2c3c(c1)c(=O)c(-c1ccccc1)c(O)n3CCC2 519579 QRJRZVZMGWTOHP-UHFFFAOYSA-N 291.350 3.629 0 40 CHAB biogenic Fc1ccc(-c2onc3ccc(C4OCCO4)cc23)cc1 1407002 OSJBBSMIHCPHSS-UHFFFAOYSA-N 285.274 3.679 0 40 CHAB C=C(c1ccc2[nH]c(NC(=O)OC)nc2c1)c1cccs1 1591408 ZEABLLDFGWGWPV-UHFFFAOYSA-N 299.355 3.864 0 40 CHAB Cc1c2ccccc2nc(CSCc2ccccc2)[n+]1[O-] 1682170 QOJYBNNYWGAXEV-UHFFFAOYSA-N 296.395 3.610 0 40 CHAB CC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1Cl 3269654 LTINICLCEOTVOE-UHFFFAOYSA-N 290.702 3.631 0 40 CHAB CC(C)(C)c1ccc(OCc2nnc3n2CCCCC3)cc1 3299645 FQXJSZSGMCWGJA-UHFFFAOYSA-N 299.418 3.881 0 40 CHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1 3333592 IBAKFBQLUUVAOS-CMPLNLGQSA-N 272.373 3.713 0 40 CHAB CCCCC(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 4107383 ARWYOZMWVVOIIG-UHFFFAOYSA-N 299.374 3.744 0 40 CHAB Cc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 4661632 KMVPDCJPUSFZNS-SNVBAGLBSA-N 286.400 3.829 0 40 CHAB CC1(C)CC=C[C@@H](COC(=O)c2ccccc2C(=O)O)C1 4990572 RVAKEMCKGXEJJX-GFCCVEGCSA-N 288.343 3.534 0 40 CHAB CCOc1ccccc1NC(=O)c1ccc(F)cc1F 5464815 KAANRCDTWFNLDQ-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB Clc1ccc(CNc2nc3ccccc3[nH]2)cc1 8701365 GNCUDHLBPMQNEJ-UHFFFAOYSA-N 257.724 3.828 0 40 CHAB COc1cc(C=O)c(Sc2ccc(C)cc2)cc1OC 8729785 DFWOJKXERGAFHS-UHFFFAOYSA-N 288.368 3.976 0 40 CHAB C[C@H](NC(=O)c1ccoc1)c1ccc(Br)cc1 8939618 OLHVGOSJQBKEIY-VIFPVBQESA-N 294.148 3.533 0 40 CHAB CCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)no1 9597908 TZAVIKZZIVICNM-UHFFFAOYSA-N 285.130 3.796 0 40 CHAB CC(C)c1ccc(NC(=O)Cc2cn3ccccc3n2)cc1 12740321 OWLOAMCOMZTZBD-UHFFFAOYSA-N 293.370 3.639 0 40 CHAB Cc1nccc2c1[nH]c1ccc(Br)cc12 13379706 MGPZBLVKGVLQIV-UHFFFAOYSA-N 261.122 3.787 0 40 CHAB CCCCCNC(=S)Nc1ccc(C)c(C)c1 13818911 VLVBPNKJLBOAMF-UHFFFAOYSA-N 250.411 3.780 0 40 CHAB C[n+]1ccccc1/C=C/c1csc2ccccc12 17020397 NTFUSCBAVUOWHS-MDZDMXLPSA-N 252.362 3.896 0 40 CHAB COc1cccc2cc([C@H](C)NCc3cccnc3)oc12 20141445 RGKJDKWWIUBNAK-LBPRGKRZSA-N 282.343 3.687 0 40 CHAB Cc1cccc(CNC(=O)COc2ccccc2C(C)C)c1 26018498 JXKOVMSUMNNFJW-UHFFFAOYSA-N 297.398 3.814 0 40 CHAB COc1ccc(Cl)c2sc(NC[C@H]3CCCO3)nc12 26423937 GZZGAKLJXTZZHB-MRVPVSSYSA-N 298.795 3.549 0 40 CHAB O=C(c1ccc(OCc2ccccc2)cc1)C1CC1 28528885 OWMJPBVELHTRER-UHFFFAOYSA-N 252.313 3.858 0 40 CHAB Cc1ccc(CCC2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1 40023457 CZSMTMLYCSHLIO-YJBOKZPZSA-N 285.431 3.822 0 40 CHAB Cc1c(Cl)cccc1NC(=O)NCc1ccoc1 47698692 SWPKBRMPEGQYQF-UHFFFAOYSA-N 264.712 3.563 0 40 CHAB CC[C@@H](NCc1cccc(OC)c1OC(F)F)C(C)C 49127565 DCDGCZSIDYXJAY-GFCCVEGCSA-N 287.350 3.821 0 40 CHAB CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)O 54533088 CWJYLRNEOCFRBC-UHFFFAOYSA-N 275.270 3.640 0 40 CHAB in-vitro COc1ccc(CC(=O)c2ccc(F)c(C)c2)cc1 55199848 ALJZFZUIDKFAON-UHFFFAOYSA-N 258.292 3.568 0 40 CHAB O[C@@H](c1c(F)cncc1Br)C1CCCCC1 62152101 GNFNLOGQSXGZQQ-GFCCVEGCSA-N 288.160 3.597 0 40 CHAB in-vitro COc1cccc(CCCNC(=O)c2cc(C)ccc2C)c1 66436334 QJAFDZSYZKGXCG-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB Cc1cc(C)c(NC(=O)COc2ccc(C)c(C)c2)c(N)c1 70462898 NAPKCVJWTJTLMO-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB COC(=O)c1cnc(SC2CCCCC2)cc1C 72223828 AIPVQJHRFXPKSM-UHFFFAOYSA-N 265.378 3.601 0 40 CHAB CC(=O)c1ccc(NCc2ncc(C(C)(C)C)o2)cc1 72312429 QMWOMJGMOBTOPN-UHFFFAOYSA-N 272.348 3.787 0 40 CHAB COC(=O)Nc1ccccc1OCc1sc(C)nc1C 78991401 SLFLKKCPXNLQAG-UHFFFAOYSA-N 292.360 3.517 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2)c(C)c1 87754648 LLAYNVZXCQWMIA-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB CC(C)C[C@@H]1CCCCN1C(=O)Nc1nccs1 89821106 PFVFSMJTQUYCRB-NSHDSACASA-N 267.398 3.576 0 40 CHAB COc1cccc(C(=O)c2cccc(Cl)c2C)c1 95916347 FPGOLGGPZKUTGS-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB COC(=O)c1cccc(Oc2ccc(SC)cc2)c1 95951526 SPZQBVSPMFCYGQ-UHFFFAOYSA-N 274.341 3.987 0 40 CHAB COP(=O)(OC)C1CC(OCc2ccc(C)cc2)C1 96508995 OULMEPGAYQGUDO-UHFFFAOYSA-N 284.292 3.529 0 40 CHAB CCc1ccc(C[C@H](Oc2cccc(C)c2)C(=O)O)cc1 225042299 CRRNGNZKOMUYHP-KRWDZBQOSA-N 284.355 3.632 0 40 CHAB CCOc1cccc([C@@H]2C[C@@H](O)c3ccccc3N2)c1 242548459 LMEXYBBRSGEAGV-DLBZAZTESA-N 269.344 3.676 0 40 CHAB Cc1ccc(Cl)c(C(=O)C(F)(F)Br)c1 306445207 SMIOMBHDFHNNJR-UHFFFAOYSA-N 283.499 3.819 0 40 CHAB Cc1cccc(C(=O)C(F)(F)Br)c1Cl 306488480 RQUFMFVUZXGADW-UHFFFAOYSA-N 283.499 3.819 0 40 CHAB CCc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O 390779653 IJIOCUSVSOVACI-UHFFFAOYSA-N 293.366 3.978 0 40 CHAB COC(=O)CCCCC(=O)c1cc(Cl)ccc1C 575357924 JJGIFTMYERSGGA-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB O=C(c1cccc(OC(F)(F)C(F)F)c1)C1CCC1 575360112 DQMIEOKAIYCVIM-UHFFFAOYSA-N 276.229 3.906 0 40 CHAB Cc1cc(N2CCCC[C@@H]2C)nc2c(O)cccc12 685938266 NWNIAYIOJFCBJJ-LBPRGKRZSA-N 256.349 3.628 0 40 CHAB COc1ccc(OC)c(NC(=O)c2ccc(C)cc2C)c1 557931 BPBHQKFXPIXMBM-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB Cc1ccccc1C(=O)N1c2ccccc2C[C@@H]1C 1431563 WUNMRVWPZMRLJQ-ZDUSSCGKSA-N 251.329 3.586 0 40 CHAB Nc1nccc(SCc2ccc(Cl)cc2Cl)n1 1675980 KZAWSERZQNRQDC-UHFFFAOYSA-N 286.187 3.658 0 40 CHAB CC[C@@H](O)CN(C)Cc1cc2c(c3ccccc13)CCCC2 6412424 QDDATMKERRMHIA-QGZVFWFLSA-N 297.442 3.921 0 40 CHAB CCCCNC(=O)c1sc(-c2ccccc2)nc1C 7996050 YCRIXZNUPMWPPH-UHFFFAOYSA-N 274.389 3.648 0 40 CHAB Cc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 10465586 MHKYMWXSKRSIAN-LBPRGKRZSA-N 298.342 3.606 0 40 CHAB COC(=O)c1cccc(COc2ccccc2Cl)c1 2578457 NYHOZOZPMJWMPU-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB CCOC(=O)c1ccc(C(=O)CCc2ccccc2C)cc1 2516370 VXVIRVCEMJBLRX-UHFFFAOYSA-N 296.366 3.987 0 40 CHAB CCc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1 8383021 IPPWFKMAJUJOGP-LBPRGKRZSA-N 269.344 3.555 0 40 CHAB CCCCCn1c(S)nnc1-c1ccc(C)cc1 11692597 UBHSLEOYMBNOJM-UHFFFAOYSA-N 261.394 3.732 0 40 CHAB Cc1cccc(C[S@@](=O)Cc2ccccc2C)c1 58168113 XGRJFKCHCHLZNK-SFHVURJKSA-N 258.386 3.752 0 40 CHAB CC(C)(C)NC(=O)c1cc2cc(Cl)ccc2o1 52410730 IKFQGSDZIHZTHL-UHFFFAOYSA-N 251.713 3.615 0 40 CHAB Cc1nc(NC(=O)c2ccccn2)sc1-c1ccccc1 29921613 KNOQMPHHDLKNDI-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CC(C)(C)SCCNC(=O)Cc1ccccc1Cl 66738906 LYEXZHUUOJBTLI-UHFFFAOYSA-N 285.840 3.530 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 23444634 CUKUTDCKXRFSKO-HZPDHXFCSA-N 297.398 3.682 0 40 CHAB Cc1nc(Cl)cc(N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 106866596 DMUAXOHXOBUXAQ-QTKMDUPCSA-N 265.788 3.675 0 40 CHAB Cc1cc([C@H](C)Nc2cncc(Cl)n2)c(C)o1 44731777 WUUNKPLDPYKTGB-QMMMGPOBSA-N 251.717 3.513 0 40 CHAB COc1ccc(C)cc1NC(=O)c1nc2ccccc2s1 3329271 USZNKCHVPFGVGN-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB CCSc1nnc(-c2cccnc2)n1-c1ccccc1C 3310275 BMHCBYWQVXOERI-UHFFFAOYSA-N 296.399 3.750 0 40 CHAB CCCCNc1ncc(C(F)(F)F)cc1Cl 21013070 QFURDCJAWVILTG-UHFFFAOYSA-N 252.667 3.966 0 40 CHAB CCCNC(=O)c1cc2c3ccccc3n(C)c2s1 4036607 DVVSWCJQIZPQLE-UHFFFAOYSA-N 272.373 3.533 0 40 CHAB O=C1CCC[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]12 4041286 RFCMYEBTZKSRRN-QRVBRYPASA-N 293.366 3.917 0 40 CHAB O=C(O)c1c(-c2c(Cl)cncc2Cl)noc1C1CC1 117751200 MFDMGPSXATVIKT-UHFFFAOYSA-N 299.113 3.619 0 40 CHAB CN1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 4671380 OKFGPCBKOCVTRJ-OAHLLOKOSA-N 270.763 3.773 0 40 CHAB CN(Cc1ccsc1)C(=O)Nc1ccc(F)cc1F 8746209 QWJDKBJOMWTEKC-UHFFFAOYSA-N 282.315 3.690 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCCC[C@H]1C 6964417 OCEPDGUSODCJRQ-CZUORRHYSA-N 284.403 3.645 0 40 CHAB CCC1CCC(NCCc2ccc(OC)c(OC)c2)CC1 19902420 RXZHTEVPXPPEEB-UHFFFAOYSA-N 291.435 3.805 0 40 CHAB CC(C)[C@@H](C)CC(=O)N(C)[C@H](C)c1cccc(O)c1 84409797 IIYWBTYKMAHLRR-QWHCGFSZSA-N 263.381 3.594 0 40 CHAB O=C(Nc1cc(Cl)c(O)c(Cl)c1)Nc1ccccn1 95943946 MLUCOIWFMLWAGD-UHFFFAOYSA-N 298.129 3.738 0 40 CHAB C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1ccccc1 79416710 CXEJEOCPRYVFGU-YOEHRIQHSA-N 298.386 3.757 0 40 CHAB CC(=O)Oc1ccc(/C=C\c2ccc(OC(C)=O)cc2)cc1 31362672 PJNPBRIHJXMRDS-ARJAWSKDSA-N 296.322 3.708 0 40 CHAB CCCOc1ccc(CNC(=O)c2ccc(C)cc2)cc1 72331488 CHBMCHLGNWRKIP-UHFFFAOYSA-N 283.371 3.714 0 40 CHAB CCOC(=O)c1cn[nH]c1-c1ccc(Cl)c(Cl)c1 71980834 LWBMONNATGZEDB-UHFFFAOYSA-N 285.130 3.560 0 40 CHAB CCCn1nccc1C(=O)Nc1cc(Cl)ccc1Cl 32611299 QGGYSCITZWRLKN-UHFFFAOYSA-N 298.173 3.852 0 40 CHAB Oc1ccc(-c2cccc(F)c2)c(C(F)(F)F)n1 47204640 YAYMLIVEENRDCT-UHFFFAOYSA-N 257.186 3.612 0 40 CHAB CC(=O)Oc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1 43209945 UFLFZEFDPBHEJW-UHFFFAOYSA-N 282.339 3.966 0 40 CHAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1cccc(C)c1 224168387 YLUDIQHUZRGTTM-OAHLLOKOSA-N 297.464 3.631 0 40 CHAB CC(=O)C[C@@H](C)Sc1ccc(Br)cc1 82793897 TXMWVFAESARCQI-SECBINFHSA-N 273.195 3.909 0 40 CHAB Cc1cccc(NC(=O)c2oc(C3CC3)nc2C)c1C 95939836 QZJFLZPGHSBYPW-UHFFFAOYSA-N 270.332 3.730 0 40 CHAB CCc1c(-c2ccccc2)[nH]c2ccc(OC)cc2c1=O 685938554 OEVVVZWVWMPPRP-UHFFFAOYSA-N 279.339 3.766 0 40 CHAB Cc1cc2c(cc1Br)C(=O)c1ccccc1-2 225773 BMWQDQMOJJRDBU-UHFFFAOYSA-N 273.129 3.969 0 40 CHAB FC(F)Sc1c[nH]c2ncc(Br)cc12 1848351069 UPSWMGDSRSJEKO-UHFFFAOYSA-N 279.109 3.640 0 40 CHAB O=C1c2ccccc2N[C@H]2C(=C3CCCC3)CC[C@H]12 5338552 DSBMMZMTLMBWEM-HOCLYGCPSA-N 253.345 3.944 0 40 CHAB COc1cccc(NC(=O)Nc2cc(C)cc(C)c2)c1 11555915 PSQMLFOSCAXNIE-UHFFFAOYSA-N 270.332 3.956 0 40 CHAB Nc1c(-c2cnc3ccccc3n2)oc2ccccc12 16525285 BZXRKZGKGJGNBD-UHFFFAOYSA-N 261.284 3.625 0 40 CHAB Cc1cn(C(=O)c2ccc(F)cc2)c(-c2ccccc2)n1 16780659 BXAKSQZRSWZOJB-UHFFFAOYSA-N 280.302 3.686 0 40 CHAB Cc1ccc(NC(=O)c2cccc(N)c2C)cc1Cl 19399593 AZAIFIXYRQLKRW-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB COc1ccc([C@@H]2CCCCN(C(=O)C=C(C)C)C2)cc1 206883790 LKAOBZHIGFQGQB-MRXNPFEDSA-N 287.403 3.758 0 40 CHAB CCOc1ccc(NC(=S)c2nc3ccccc3[nH]2)cc1 4136719 OAMDCQRJZQKBTG-UHFFFAOYSA-N 297.383 3.749 0 40 CHAB C[C@@H](Cc1ccoc1)NC(=O)c1ccc(C(C)(C)C)cc1 206661919 SXGKHAPZHJGNRE-ZDUSSCGKSA-N 285.387 3.938 0 40 CHAB CCN(C(=O)c1ccc(OC)c(OC)c1)c1ccccc1C 29918 FQTHQCIXDOKIDK-UHFFFAOYSA-N 299.370 3.679 0 40 CHAB biogenic,in-vitro Cc1ccccc1OCCOc1ccc(-c2nnco2)cc1 40159353 XUHMOXGGGJRAST-UHFFFAOYSA-N 296.326 3.503 0 40 CHAB C1CCC(OC[C@H]2CCCN3CCCC[C@H]23)CC1 35443 DBTLXFQLEFJHCH-GDBMZVCRSA-N 251.414 3.600 0 40 CHAB biogenic,in-vitro CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1 2329721 MRPWMJUQIHSLRT-JSGCOSHPSA-N 277.364 3.542 0 40 CHAB C[C@]12CC[C@@H]3[C@H]4CC[C@@H](O)C[C@@H]4CC[C@H]3[C@@H]1CCC2=O 6067695 UOUIARGWRPHDBX-CQZDKXCPSA-N 276.420 3.569 0 40 CHAB endogenous,in-man O=[P@]1(Oc2ccccc2)OCc2ccccc2O1 6116022 BXVSAYBZSGIURM-GOSISDBHSA-N 262.201 3.783 0 40 CHAB O=C(Cc1c(F)cccc1Cl)N1CCCCCCC1 20501353 BHTNGIBNHJIVMQ-UHFFFAOYSA-N 283.774 3.814 0 40 CHAB Cc1nc(CC(=O)Nc2ccc(C(C)C)cc2)cs1 7995495 BNDYACLDVSTQSB-UHFFFAOYSA-N 274.389 3.756 0 40 CHAB COc1ccc(NC(=O)Nc2cccc(C)c2)c(C)c1 51354577 GIJRFMSHHPEGKE-UHFFFAOYSA-N 270.332 3.956 0 40 CHAB O=C(O)[C@@H]1/C(=C/c2ccccc2)[C@H]1c1ccccc1 8627603 DDQINRMAUKWYHO-GSEJNISDSA-N 250.297 3.568 0 40 CHAB Cc1ccc(NC(=S)NC(=O)CC(C)C)cc1Cl 342047 DKYMEDRGVUIQPR-UHFFFAOYSA-N 284.812 3.508 0 40 CHAB CCOC(=S)SC/C=C\CSC(=S)OCC 104162766 NVZQGMQDJIYHKB-WAYWQWQTSA-N 296.504 3.652 0 40 CHAB C[C@H](N)c1nc(-c2ccc(F)c(Cl)c2)cs1 41059200 IPXBGNZEHFYRHY-LURJTMIESA-N 256.733 3.622 0 40 CHAB in-vitro C[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1cccs1 32879000 BYLNPYMCLLOGKB-HZMBPMFUSA-N 289.425 3.642 0 40 CHAB Cc1cccc(C(=O)c2c[nH]c3ccc(F)cc23)c1 104416916 GWORHXMEIGUSAL-UHFFFAOYSA-N 253.276 3.846 0 40 CHAB COc1ccccc1C(=O)Nc1cccc2ccc(C)nc12 11917577 BLQNOALWGYTQRK-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CCCN(CCC)C(=O)Cc1c(C)[nH]c2ccc(C)cc12 24536692 NJKDBKRPVFHCQO-UHFFFAOYSA-N 286.419 3.976 0 40 CHAB CCCCN(C)c1ncc(C(F)(F)F)cc1Cl 42783528 IPJWDAXTQHEZSE-UHFFFAOYSA-N 266.694 3.990 0 40 CHAB CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)CO 65743336 VFYHIOGWELBGIK-DLBZAZTESA-N 287.488 3.614 0 40 CHAB in-vitro Cc1nnsc1Sc1ccc(Br)cc1 3125239 RCPMYKPPQBNSJC-UHFFFAOYSA-N 287.207 3.760 0 40 CHAB Cc1cc(C)c(NC(=O)c2cccc(C)n2)c(C)c1 12875611 RLXNOMOACNMILT-UHFFFAOYSA-N 254.333 3.568 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1cccnc1 13331952 CAYRFDCUQMPMHO-NSHDSACASA-N 289.766 3.926 0 40 CHAB Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1 17124357 FSYXNASYROAEQB-UHFFFAOYSA-N 250.710 3.792 0 40 CHAB O=c1oc(Nc2ccccc2Cl)nc2ccccc12 4040838 ANLDBEZHIRNLQU-UHFFFAOYSA-N 272.691 3.585 0 40 CHAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccnc2)N3)C1 4125402 JSPZKXLFHZSMIN-OTYXRUKQSA-N 299.399 3.697 0 40 CHAB CCC[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 5552171 FCJMQTGSOJEURJ-HNNXBMFYSA-N 297.354 3.938 0 40 CHAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccco1 8756893 KRYDOULNNJZFEB-ZDUSSCGKSA-N 279.339 3.853 0 40 CHAB C[C@H](SC1CCCC1)C(=O)Nc1ccc(Cl)cn1 5896052 VBBMPDKGEHYAJM-VIFPVBQESA-N 284.812 3.738 0 40 CHAB CCOC(=S)Cc1ncc(C(F)(F)F)cc1Cl 64220256 YYACRUJBHSDNRE-UHFFFAOYSA-N 283.702 3.660 0 40 CHAB Nc1c(Cl)cc(NC(=O)c2ccccc2)cc1Cl 16489553 JGKBUFHQAVNGJB-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 62710375 VCBZFQIBJMJPMA-UHFFFAOYSA-N 265.291 3.532 0 40 CHAB CCO[C@H]1C[C@@H](NCc2cccs2)C12CCCCC2 76021630 YNAMHGMOSRGRJM-CABCVRRESA-N 279.449 3.966 0 40 CHAB Fc1cc(Br)c(OC(F)(F)F)cc1F 95215469 FZIYAGQTBRSAEC-UHFFFAOYSA-N 276.986 3.626 0 40 CHAB O=C(CSc1cccc2ccccc12)Nc1ccccn1 32692343 DAPJJTBKTUKZQT-UHFFFAOYSA-N 294.379 3.966 0 40 CHAB CCOc1ccc(C(=O)n2cc(C=O)c3ccccc32)cc1 216957671 MFTKYXBPIBORIO-UHFFFAOYSA-N 293.322 3.541 0 40 CHAB O=C(Nc1nc(-c2ccsc2)ns1)c1cccs1 72427518 CDQBGLYZYCNBIN-UHFFFAOYSA-N 293.398 3.580 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccncc2)c(Cl)c1 40525667 RVHMMCZOBSTSQM-NSHDSACASA-N 289.766 3.926 0 40 CHAB Cc1c(Cl)cnc(NC(=S)NCC(C)C)c1Cl 223877116 IRFZLUXIFJZPCT-UHFFFAOYSA-N 292.235 3.639 0 40 CHAB CCCOc1ccc(NC(=O)C(C)(C)OCCC)cc1C 225727862 XDKZLHOXJACBON-UHFFFAOYSA-N 293.407 3.928 0 40 CHAB COc1ccc(C(=O)CCc2ccc(C)cc2)cc1F 228699475 KYHAZXVZKMNQDF-UHFFFAOYSA-N 272.319 3.958 0 40 CHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@H]1CC=CCC1 40107198 TZPPOPQRFGVSCL-JSGCOSHPSA-N 277.795 3.744 0 40 CHAB Nc1cc(Nc2ccc(F)cc2)nc(-c2ccc(F)cc2)n1 49467934 UVURVLCDJXKNQX-UHFFFAOYSA-N 298.296 3.748 0 40 CHAB CCN(c1ccc(Oc2ccccc2)cc1)[C@@H](C)C(=O)O 224999552 IYXZYDHDZTZMHX-ZDUSSCGKSA-N 285.343 3.778 0 40 CHAB Cc1csc(NC(=O)C2(c3ccccc3F)CCC2)n1 41526862 JXCAMVHANJXJOW-UHFFFAOYSA-N 290.363 3.651 0 40 CHAB C=Cn1cc(CNC(C)(C)c2ccc(F)cc2Cl)cn1 225583011 POPQLUXYXSOBGK-UHFFFAOYSA-N 293.773 3.801 0 40 CHAB Cc1ccc(CNC(=O)c2cc(C)c(C)cc2C)cc1 225640308 KFEQYJOJPZTSPI-UHFFFAOYSA-N 267.372 3.850 0 40 CHAB CC(=O)C[C@H](C)Sc1ccccc1Br 82793904 QFYDPDLTJNVDER-VIFPVBQESA-N 273.195 3.909 0 40 CHAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C(F)(F)F)c1 247475546 HAIIAJAXYIKTDK-GVXVVHGQSA-N 297.320 3.871 0 40 CHAB Fc1ccccc1NC(=S)NC[C@@H]1C[C@H]2CC[C@H]1C2 254490315 HOYMWKCTNPPLKR-SRVKXCTJSA-N 278.396 3.548 0 40 CHAB Cc1csc(C(=O)N2CC[C@H](c3cccs3)C2)c1 825257224 FCRLLVQWQUYHBX-NSHDSACASA-N 277.414 3.748 0 40 CHAB Fc1ccc(-c2ncccc2Br)cc1 215653836 IPSHOAWCCYABTN-UHFFFAOYSA-N 252.086 3.650 0 40 CHAB CC1(C)CCc2cc(Br)sc2C1=O 257770730 BEDPUFOBFVFQKU-UHFFFAOYSA-N 259.168 3.666 0 40 CHAB Cc1cccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 14573750 VUKFPFVOKJFHAO-INIZCTEOSA-N 297.398 3.868 0 40 CHAB CC(=O)c1cn(C(=O)Nc2ccccc2)c2ccccc12 16322062 YDZOGYNILHDDQE-UHFFFAOYSA-N 278.311 3.924 0 40 CHAB O=C(Cc1noc2ccccc12)OC/C=C/c1ccccc1 18965723 KVVQRFKUECCLQW-RMKNXTFCSA-N 293.322 3.627 0 40 CHAB O=C(c1ccsc1)N1CCS[C@@H](c2ccco2)CC1 207010248 ITCOGEHKQNNXEB-CYBMUJFWSA-N 293.413 3.662 0 40 CHAB CCCC(=O)Nc1cc(C)ccc1-c1ccc(C(=O)O)o1 226351972 MQTUZVBMOMPQEE-UHFFFAOYSA-N 287.315 3.692 0 40 CHAB Cc1ccc(CN2C[C@H](c3ccccc3)CC2=O)cc1 1888926502 VKKKMTWMPUDLAG-QGZVFWFLSA-N 265.356 3.511 0 40 CHAB CSc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2 1710721 LRTKPTMILYHCKC-UHFFFAOYSA-N 269.369 3.938 0 40 CHAB Cc1ccc2oc(C(=O)Nc3cccc(F)c3)cc2n1 8793841 KZQDGHUHPURIEJ-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB CCC[C@H](C)C(=O)c1ccc(Cl)cc1C(=O)OC 575361913 ROINDEPKOHBBOU-VIFPVBQESA-N 268.740 3.746 0 40 CHAB CC(=O)Oc1ccccc1C(=O)CCC1CCCC1 575362022 VMCZVTKNPPPICD-UHFFFAOYSA-N 260.333 3.765 0 40 CHAB CCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C 118164 QSFSZRNZJAHUMO-UHFFFAOYSA-N 295.342 3.937 0 40 CHAB Cc1ccc(SCC(=O)Nc2ccc(F)cc2)cc1 172882 SJEOIAIZOQWPPM-UHFFFAOYSA-N 275.348 3.865 0 40 CHAB O=C(NC1CC1)c1cc2cc(Br)ccc2s1 1386262 WDBFZOXGWOPOMS-UHFFFAOYSA-N 296.189 3.556 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)c1ccccc1 4611012 WBMULNOFMGKWPA-FVQBIDKESA-N 288.387 3.873 0 40 CHAB biogenic,in-vitro CC[C@H](C)NC(=O)c1sc(-c2ccccc2)nc1C 7996047 FJGAXIXOQRGALK-JTQLQIEISA-N 274.389 3.647 0 40 CHAB COc1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1 1845628 MJDGFIOMTNMZTJ-UHFFFAOYSA-N 280.245 3.945 0 40 CHAB CCCCOc1ccc(/C=C/C(=O)OCC)cc1OCC 57471018 AHRDVTLLJIGEDO-PKNBQFBNSA-N 292.375 3.841 0 40 CHAB Cc1ccc([C@H](NC2CCOCC2)c2ccccc2)cc1 95419055 VTTHYKGYTUUSFO-LJQANCHMSA-N 281.399 3.853 0 40 CHAB O=C(c1cccs1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53356708 LNPSUPTXYFKZSN-CYBMUJFWSA-N 297.383 3.602 0 40 CHAB Cc1cccc(C)c1NC(=S)N1CCCC[C@H]1C 3338691 JVRZNPOOYSZTRH-CYBMUJFWSA-N 262.422 3.875 0 40 CHAB CC1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 58403725 ZKVRFDMXJVPOLF-NSHDSACASA-N 277.393 3.591 0 40 CHAB O=C(Cc1ccccc1)c1nc2ccccc2s1 2661490 FEGRXWKXYVKSOA-UHFFFAOYSA-N 253.326 3.722 0 40 CHAB COCc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 58702682 HCSBCBDSTMRKLZ-SFHVURJKSA-N 295.382 3.892 0 40 CHAB COC1[C@@H]2C=C[C@@H]1[C@H]1[C@@H]3CC[C@H](c4ccccc43)[C@H]21 101044728 ZKULZUFLJQGWTA-HDKMNVHJSA-N 252.357 3.724 0 40 CHAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)oc2C)cc1 12898527 XXKRMNMIZBNMHP-KRWDZBQOSA-N 299.370 3.882 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CNc1ccccc1F 3487008 VZQPAXMPPIDQDC-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB Clc1cccc(Cl)c1COC[C@@H]1CCCCN1 28521945 GRKGVIAAOONXKX-JTQLQIEISA-N 274.191 3.652 0 40 CHAB Fc1ccc(I)c2ccccc12 71606919 BKXQUMOQBPPDMT-UHFFFAOYSA-N 272.060 3.584 0 40 CHAB CC(C)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1 5198872 AXBSXYXBKIKQQC-UHFFFAOYSA-N 293.370 3.798 0 40 CHAB CCN(CC)c1nc(C)nc(Cl)c1Cc1ccccc1 4575288 LZAHZZXJYLHUDH-UHFFFAOYSA-N 289.810 3.875 0 40 CHAB CCc1ccccc1NC(=O)Cc1noc2ccccc12 6836935 TURYPAAYQODQCB-UHFFFAOYSA-N 280.327 3.571 0 40 CHAB CCOc1ccc(NC(=S)N2CCC(C)CC2)cc1 5980415 QBYDEBUDFMMRBB-UHFFFAOYSA-N 278.421 3.514 0 40 CHAB Cc1cc(C(=O)Nc2c[nH]nc2-c2ccccc2)ccc1F 89587725 JPYHCAMXBQJDAM-UHFFFAOYSA-N 295.317 3.777 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)C1CCCC1 22509485 WJMJNDDKZHGKNW-NSHDSACASA-N 281.783 3.508 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1cccs1 32865226 QQAFJIYVUOZJJB-STQMWFEESA-N 261.390 3.768 0 40 CHAB Cc1ccccc1NCCC(=O)Nc1ccc(F)cc1F 40160520 RMPPMDYPTJAZRU-UHFFFAOYSA-N 290.313 3.714 0 40 CHAB CCCCO[C@@H](Cc1cccc2ccccc12)C(=O)O 225049943 CCSPIMPDAMBGLU-INIZCTEOSA-N 272.344 3.652 0 40 CHAB CCOc1ccccc1NC(=O)Cc1ccc(OC)c(C)c1 225813885 NRIBXYDVUKVMDN-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB COCCCN[C@@H](C)c1cccc(OC2CCCC2)c1 225166779 CVAHMWZBMVZXDI-AWEZNQCLSA-N 277.408 3.695 0 40 CHAB COc1c(C)cc(NC(=O)C(Cl)(Cl)Cl)cc1C 225591180 MXQMVDYOIKFBIT-UHFFFAOYSA-N 296.581 3.621 0 40 CHAB OCC[C@@H](NCc1sccc1Cl)c1ccccc1 225610892 ACRKNDWPOBEJQW-CYBMUJFWSA-N 281.808 3.615 0 40 CHAB Cc1ccc(CC(=O)NCCSC2CCCC2)cc1C 225508957 ZYRPSDUFCDWMEF-UHFFFAOYSA-N 291.460 3.638 0 40 CHAB CC[n+]1cccc(-c2nc3c(Cl)cccc3s2)c1 226776672 KWTIDUOJUSPPOA-UHFFFAOYSA-N 275.784 3.924 0 40 CHAB O=C(CC(c1ccccc1)c1ccccc1)Cn1ccnc1 95920840 SRAWFXXOZVYZRX-UHFFFAOYSA-N 290.366 3.674 0 40 CHAB in-vitro COc1cc(C(=O)C(F)(F)C(F)(F)F)ccc1Cl 234811553 BOKGONLABNQVML-UHFFFAOYSA-N 288.599 3.729 0 40 CHAB CC(C)CCOc1ccc(C(=O)Nc2ccccn2)cc1 27653308 NNWYZTFTHIZCHF-UHFFFAOYSA-N 284.359 3.759 0 40 CHAB COc1cc(C(=O)COCc2ccccc2)ccc1Cl 382702910 PWGSXVUSTAWHMT-UHFFFAOYSA-N 290.746 3.748 0 40 CHAB CCOc1ccc(NCc2cccc(OC)c2)cc1 19902157 ZRTGSSROVNJGAQ-UHFFFAOYSA-N 257.333 3.706 0 40 CHAB CN(Cc1csc2ccccc12)C(=O)Cc1ccco1 83867677 FMOWZSWUIDCNBN-UHFFFAOYSA-N 285.368 3.695 0 40 CHAB Fc1nc(-c2ccccc2)cc(-c2ccccc2)n1 3175893 HQNDUNAYTZLHDD-UHFFFAOYSA-N 250.276 3.950 0 40 CHAB Cc1ccc(-c2csc3[nH]c(=S)[nH]c(=O)c23)cc1 6407405 QDCHWFZQIFFVER-UHFFFAOYSA-N 274.370 3.623 0 40 CHAB CC1(C)O[C@H]2[C@@H]3CC[C@@](C)(C3)[C@]2(c2ccccc2)O1 5119131 QJXLKANVPCEITL-NQZOLGFYSA-N 258.361 3.853 0 40 CHAB Cc1cc(C)c2c(NC/C=C/c3ccccc3)n[nH]c2n1 12143046 MOYUFLBSMRFGTL-RMKNXTFCSA-N 278.359 3.700 0 40 CHAB Cc1cc(-c2ccccc2)c2ccc(S)nc2n1 13999126 QBEMMNRPSZZCLW-UHFFFAOYSA-N 252.342 3.894 0 40 CHAB O[C@H](CCNC12CC3CC(CC(C3)C1)C2)c1ccccc1 6575573 XXBRJGCJCMOIFO-CHNSHAQVSA-N 285.431 3.669 0 40 CHAB COc1ccc2cc([C@H](C)C(=O)OC(C)C)ccc2c1 34429686 KABDXMXJNHRMMO-LBPRGKRZSA-N 272.344 3.904 0 40 CHAB in-vitro Cc1cc(C(=O)O)ccc1NC(=O)c1cccc(Cl)c1 13391061 LTQODJDOJOBXBM-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CC[C@@H](C(=O)c1ccc(OC(C)=O)cc1)c1ccccc1 575362270 QXVAPCYPNSMGOG-QGZVFWFLSA-N 282.339 3.988 0 40 CHAB S=c1nc(NCc2ccccc2)c2ccccc2[nH]1 424983 SBILQQZKPSMLGF-UHFFFAOYSA-N 267.357 3.904 0 40 CHAB Cc1cc(C(=O)NCc2ccc(C)o2)c2cccc(C)c2n1 35239891 PORUOBNFVVBUPJ-UHFFFAOYSA-N 294.354 3.683 0 40 CHAB COc1ccc2c(OC)cc(-c3ccccc3)nc2c1 346087 BDYXTSMYSPQKPT-UHFFFAOYSA-N 265.312 3.919 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1cccc(Cl)c1 102266785 VFIMMPHLIZNSJS-UBHSHLNASA-N 277.795 3.783 0 40 CHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102213147 GIZUHUTZKZGUSF-IKICRFKJSA-N 297.398 3.571 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccco1 498120 CSERXRLNHSGANA-GQCTYLIASA-N 296.153 3.916 0 40 CHAB C[C@@H]1C2=C(O)CCCC2=Nc2nc3ccccc3n21 102663933 VFXQLUPAOKGJDT-SECBINFHSA-N 253.305 3.679 0 40 CHAB CC(=O)OC[C@]12COC[C@H](C3=CCCC(C)(C)[C@@H]3C1)[C@@H]2C 517225 AOWHBUFUMSNEAB-BWUSGFMJSA-N 292.419 3.585 0 40 CHAB biogenic CCc1ccccc1NC(=O)c1cccnc1Cl 35586 ORHDFPYUDCGMAQ-UHFFFAOYSA-N 260.724 3.550 0 40 CHAB Cc1nnc(CN[C@@H](CC2CCC2)c2ccccc2)s1 95994278 HFDOLSBWKZJSQO-HNNXBMFYSA-N 287.432 3.868 0 40 CHAB C[C@@H](C[C@H]1OC[C@H](CN2CCCCC2)O1)CC(C)(C)C 1229976 HFXRXQYPTWPANL-JYJNAYRXSA-N 283.456 3.676 0 40 CHAB CO[C@@]1(c2ccc(C)cc2C)OC(=O)c2c(C)ccc(C)c21 2044219 KSGBKYOCZIGIQB-IBGZPJMESA-N 296.366 3.938 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2CC(=O)Oc1ccccc1 3845461 HWMGNZIDLAPOLP-LBTNJELSSA-N 286.371 3.624 0 40 CHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H]1Cc1ccccc1 107329373 CEVSGPCWLBCVDY-XLAORIBOSA-N 283.415 3.656 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 3360846 VOCOOCHLGBUJOQ-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(N(C)C)cc2)cc1C 8345704 GFJSRGSBIAEPGX-UHFFFAOYSA-N 282.387 3.551 0 40 CHAB Cc1cccc(OCC(=O)N[C@H](c2ccccc2)C2CC2)c1 11207144 NEWJFGQPUGWRON-LJQANCHMSA-N 295.382 3.641 0 40 CHAB CC(C)CCNC(=O)C1(c2ccccc2)CCCC1 2512735 XFECLLJMWGNUDR-UHFFFAOYSA-N 259.393 3.661 0 40 CHAB CC(C)C(NC(=O)[C@H](C)Sc1ccccc1)C(C)C 20238470 RPBSZHXDFLPXFQ-ZDUSSCGKSA-N 279.449 3.964 0 40 CHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(F)cc1 45950632 FBDXDBFDPGBBBL-IUODEOHRSA-N 294.370 3.543 0 40 CHAB O=C(NCC1CC1)N[C@@H](Cc1ccccc1)c1ccccc1 29727324 FBOWDERJXGGOOV-SFHVURJKSA-N 294.398 3.680 0 40 CHAB CC1(C)[C@H]2CC[C@@]3(C)OC(=O)N(N1c1ccccc1)[C@]23C 4087711 NSUOGCYPVWQKRF-KBRIMQKVSA-N 286.375 3.580 0 40 CHAB Cc1nc(-c2ccc(Oc3nc4ccccc4o3)cc2)no1 48364831 LQSONXHUKFTVPP-UHFFFAOYSA-N 293.282 3.979 0 40 CHAB c1csc(-c2nc(Cn3cnc4ccccc43)co2)c1 9367394 WGEYMZIHKMVSPC-UHFFFAOYSA-N 281.340 3.801 0 40 CHAB COc1ccccc1-c1nc(-c2ccc(O)cc2O)cs1 9337166 BHPKPXHNAVSPMT-UHFFFAOYSA-N 299.351 3.897 0 40 CHAB CC[C@@H]1C[C@H]2CCN1[C@H]([C@H](O)c1ccnc3ccccc13)C2 4115598 YGSPYMMGHMAUNZ-TUFGIGEDSA-N 296.414 3.531 0 40 CHAB O=C(c1cc(F)ccc1F)N(C1CCCC1)C1CC1 65590956 XAWRZYAQMKSSAR-UHFFFAOYSA-N 265.303 3.512 0 40 CHAB O=c1cc(-c2cc3ccccc3o2)c2cc(O)ccc2o1 4586192 ZSADBVXZEDCHBR-UHFFFAOYSA-N 278.263 3.912 0 40 CHAB biogenic CCC(=O)Nc1c(-c2ccc(C)cc2)nc2c(C)cccn12 19898747 RXSWRUBSWXJHPF-UHFFFAOYSA-N 293.370 3.967 0 40 CHAB Cc1ccc2c(C(=O)CN3CCC(C)CC3)c(C)[nH]c2c1 4871832 VHFDUFNJRZUVFJ-UHFFFAOYSA-N 284.403 3.699 0 40 CHAB O=C(NCC(F)(F)F)c1ccccc1Oc1ccccc1 6969039 LTPHBFGWVBNOLN-UHFFFAOYSA-N 295.260 3.771 0 40 CHAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 7384147 BTJAMNAHNRTYMZ-QWRGUYRKSA-N 298.789 3.538 0 40 CHAB O=C(Cc1ccc(Cl)cc1Cl)NC1CCCC1 8082082 IBJRLCNIEHLHGS-UHFFFAOYSA-N 272.175 3.595 0 40 CHAB CCOc1ccccc1C(=O)Nc1ccc2oc(C)nc2c1 9709969 BTLYTSROHWNCQB-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB Cc1ccc([C@H](NC(=O)Nc2nccs2)C(C)(C)C)o1 72284976 VSQHCOVGIRMGPN-NSHDSACASA-N 293.392 3.953 0 40 CHAB Nc1cc(Br)ccc1N1CCc2ccccc21 19517074 XFSIEHFDUNLXTH-UHFFFAOYSA-N 289.176 3.726 0 40 CHAB CC(=O)N1CCCC[C@@H]1c1cccnc1Oc1ccccc1 72212233 WEZLEGAGYQQJFL-QGZVFWFLSA-N 296.370 3.947 0 40 CHAB O=C(NCc1ccc(F)cc1Cl)c1ccccc1F 72331770 MFRYENGYUFHPNZ-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB O=C(COc1ccccc1)c1cccc(OC(F)(F)F)c1 61703318 SHZVMHCMEZXNBL-UHFFFAOYSA-N 296.244 3.847 0 40 CHAB Cc1cc(CSCc2ccc(-n3ccnc3)cc2)on1 89608714 AZQBLDJUFDUHAI-UHFFFAOYSA-N 285.372 3.602 0 40 CHAB CC(C)c1ccccc1OCCNC(=O)c1cccs1 110508720 XINKILRKPUZWQO-UHFFFAOYSA-N 289.400 3.680 0 40 CHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1Cl 408873137 NMYIIMZPGWGOKN-RVBZMBCESA-N 284.186 3.912 0 40 CHAB Cc1ccc([C@H](C)NC(=O)CSc2ccccc2)cc1 38752341 DZDZPBYIDNZRCX-AWEZNQCLSA-N 285.412 3.965 0 40 CHAB Cc1ccccc1NC(=O)Nc1cc(C(C)(C)C)on1 32611410 LLOXTQIFNLPIPY-UHFFFAOYSA-N 273.336 3.925 0 40 CHAB CC[C@H](C)NC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 225986926 ZORAUYHNWJNKAP-JTQLQIEISA-N 293.798 3.799 0 40 CHAB Cc1ccc(C(=O)NCCOc2cccc(C)c2C)c(C)c1 223967406 ZWINQOTYARZDKM-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB CC(C)C(=O)NCCCc1cccc2ccccc12 223165954 XMGGBKJCIUCQTD-UHFFFAOYSA-N 255.361 3.545 0 40 CHAB Cc1nc(-c2cccs2)sc1CNC(=O)C1CCC1 85555963 SQLQZSWHCHPMTB-UHFFFAOYSA-N 292.429 3.596 0 40 CHAB Cc1ccc(O[C@H](Cc2ccc(F)cc2)C(=O)O)cc1C 225054674 ZIADZKIMHFIIRY-MRXNPFEDSA-N 288.318 3.517 0 40 CHAB Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)s1 618257380 VLDQXRVOKWKTLY-KBPBESRZSA-N 273.401 3.914 0 40 CHAB CCCCCOc1ccc(Cl)cc1C(=O)C(=O)OCC 95739866 YEEBPWLWIYPPNG-UHFFFAOYSA-N 298.766 3.655 0 40 CHAB CCOP(=O)(OCC)C(F)(F)[C@@H](N)c1ccccc1 95637458 VOMXDASMZHCKAZ-NSHDSACASA-N 293.250 3.545 0 40 CHAB CC[C@H](C)Oc1cccc(N[C@@H](C)c2cnn(C)c2)c1 51780139 DVGXQZYIHQTBJR-STQMWFEESA-N 273.380 3.771 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1Cl)c1ccncc1 27407812 BAHRTODANPYGMH-LBPRGKRZSA-N 288.778 3.545 0 40 CHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)c1ccc(Cl)c(Cl)c1 95634167 VRMSGOQZYFIZEH-ZJUUUORDSA-N 299.153 3.843 0 40 CHAB OCc1cc(-c2cccs2)nc2c(F)cccc12 685937051 JEEZIBHQRWJSKK-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB CCc1c(C2CC2)[nH]c2cccc(Br)c2c1=O 685938731 USCRTLRRGRFIIR-UHFFFAOYSA-N 292.176 3.730 0 40 CHAB Cc1ccccc1OCCOC(=O)c1cc2ccccc2[nH]1 5492311 DFSVSHPEEBSSGD-UHFFFAOYSA-N 295.338 3.712 0 40 CHAB CC(C)Oc1cccc(CNC(=O)c2ccc(F)cc2)c1 13670381 WMPDYYWUQDJZML-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB O=Cc1cccc2c1ccn2Cc1ccc(F)cc1 15424069 FAPXSDIPJWCUAQ-UHFFFAOYSA-N 253.276 3.641 0 40 CHAB Clc1cccc(-c2c[nH]nc2C2CCOCC2)c1 19293488 JZIINQCPASBKFX-UHFFFAOYSA-N 262.740 3.624 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 19463228 IAFWDNUHCNWVCC-XYPHTWIQSA-N 294.398 3.597 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N)c1C 19514091 KZMLBVHXCKTLGP-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB O=C1O[C@H](/C=C/c2ccccc2)Sc2ccccc21 1599615 RGNQSOOYPAWNOV-NKSUMMKUSA-N 268.337 3.989 0 40 CHAB Cc1cc2ccccn2c1C(=O)c1cccc(F)c1 3193682 CBVCQBDKPUCBMP-UHFFFAOYSA-N 253.276 3.618 0 40 CHAB CC[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 12861048 RGZYSRGRBNGJDQ-NSHDSACASA-N 286.331 3.517 0 40 CHAB Fc1ccc(NCc2cscn2)cc1Br 104366488 NMZABRVEUHFXNX-UHFFFAOYSA-N 287.157 3.657 0 40 CHAB CN1CCC[C@@H]1c1ccc2ncc(-c3cccc(F)c3)n2c1 2037846147 RIBJYCVRQXQGCB-MRXNPFEDSA-N 295.361 3.907 0 40 CHAB CC(C)c1nnc2sc(-c3ccccc3Cl)nn12 2443999 IGSILNSJJOTBSQ-UHFFFAOYSA-N 278.768 3.630 0 40 CHAB S=C(NCCc1cccc(Cl)c1)Nc1ccccc1 13577068 NRWFFCYMTABZKE-UHFFFAOYSA-N 290.819 3.869 0 40 CHAB Cn1ncc2c(C(F)F)cc(-c3ccc(F)cc3)nc21 20603035 DTDWAGZZFNIKGH-UHFFFAOYSA-N 277.249 3.712 0 40 CHAB Cc1noc(C(C)C)c1C(=O)NC1CCCCCCC1 21555747 KLFBFKQBCUVKRW-UHFFFAOYSA-N 278.396 3.949 0 40 CHAB O=Cc1sccc1Sc1ccsc1C=O 490940 IIWRBHZYXRYAMS-UHFFFAOYSA-N 254.357 3.586 0 40 CHAB biogenic CC(C)(C)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 54667402 FNKFVKHGTLSIIL-UHFFFAOYSA-N 297.402 3.871 0 40 CHAB CC(C)(C)c1ccc(OC[C@@H]2CCNC2)c(Cl)c1 42771075 QMKSQEAKUWVCRM-LLVKDONJSA-N 267.800 3.626 0 40 CHAB C[C@@H]1CC(=O)CC[C@]2(C)[C@@H](OC(C)(C)C)CC[C@H]12 1575293 VONPHBXPKMRMFD-UYHMYPTGSA-N 252.398 3.976 0 40 CHAB COC(=O)C[C@@H]1CCc2ccccc2[C@H]1c1ccccc1 1632903 RJKXANGMEGTSQG-LPHOPBHVSA-N 280.367 3.944 0 40 CHAB O=C(NC1CCCC1)c1cccnc1Sc1ccccc1 25320217 JHULCKBYIMSRLK-UHFFFAOYSA-N 298.411 3.905 0 40 CHAB CCOC(=O)c1c(N)sc(C)c1-c1ccc(C)cc1 3277812 UFBPTRLHPVERBQ-UHFFFAOYSA-N 275.373 3.791 0 40 CHAB CCC[C@@H](C)C(=O)OCC(=O)c1cccc(Cl)c1 3303307 AIVYPYSGFJZMOW-SNVBAGLBSA-N 268.740 3.502 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCCCCC1 6085513 LCJHAUZAOAPMPI-UHFFFAOYSA-N 284.359 3.666 0 40 CHAB Cc1ccc(F)cc1NC(=O)/C=C/c1cccs1 3360977 CYWRTUVFHWCHQK-VOTSOKGWSA-N 261.321 3.848 0 40 CHAB COc1ccccc1C1(CNC(=O)c2ccco2)CCCC1 21692287 KMKMZSIXDMQATL-UHFFFAOYSA-N 299.370 3.530 0 40 CHAB O=C(O)Cc1csc(SCc2ccc(Cl)cc2)n1 11919922 FOMVONUACZRSRI-UHFFFAOYSA-N 299.804 3.716 0 40 CHAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(Cl)c1 100979654 GYHDHQRBABUUEI-IJLUTSLNSA-N 278.783 3.898 0 40 CHAB Cc1nc2c(c(NCc3ccccc3Cl)n1)CCC2 12016426 UOXIPFIVDKGKAX-UHFFFAOYSA-N 273.767 3.539 0 40 CHAB CCCc1cc2c(s1)N[C@H](c1ccccc1)NC2=O 2737934 BDEFYVRROKNGLB-CYBMUJFWSA-N 272.373 3.555 0 40 CHAB Cc1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1 12745331 AMZXRDZKQFFZOZ-UHFFFAOYSA-N 286.400 3.973 0 40 CHAB Clc1ccc(COC[C@@H]2CCCNC2)cc1Cl 28521982 CEGNUXJEBIUJDL-LLVKDONJSA-N 274.191 3.510 0 40 CHAB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1cccs1 39967441 YGBLUGSQAAYVRU-CYBMUJFWSA-N 275.373 3.638 0 40 CHAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 5259937 WEISXKANIPXKMG-UHFFFAOYSA-N 275.373 3.611 0 40 CHAB CCc1ccc(NCc2nc(-c3ccco3)no2)cc1 65584888 VLDFYCJBZIZADY-UHFFFAOYSA-N 269.304 3.504 0 40 CHAB COc1ccc(C[C@H](C)N)c(Sc2ccccc2)c1 6467982 ZBVAOHMHFXIUII-LBPRGKRZSA-N 273.401 3.736 0 40 CHAB Cc1cc([C@H](C)NC(=O)c2ccncc2Cl)c(C)s1 73847001 BGILVLHLUSTVKM-VIFPVBQESA-N 294.807 3.904 0 40 CHAB CC(C)c1ccccc1NC(=O)NC[C@@H](O)c1ccccc1 65606968 ZILDFOYNZUHHDH-QGZVFWFLSA-N 298.386 3.665 0 40 CHAB Nc1cc(Cl)ccc1OCCCc1ccccc1 14629333 BGDXVRHBAJNZPH-UHFFFAOYSA-N 261.752 3.934 0 40 CHAB O=C(CSc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4831869 SWHGHAGMKCRYNT-MISXGVKJSA-N 295.835 3.737 0 40 CHAB O=Cc1sc(SCc2ccccc2)nc1Cl 35067393 YCUZSRCNCRKZDV-UHFFFAOYSA-N 269.778 3.901 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(/C=C2\N=C(c3cccs3)OC2=O)o1 8111614 RLBXTXHMPBIEPO-KVLZXVQHSA-N 299.351 3.809 0 40 CHAB Cc1ccc([C@@H](C)Nc2nccc(C(F)(F)F)n2)o1 70250171 BYYBJZDASGOJRZ-MRVPVSSYSA-N 271.242 3.570 0 40 CHAB CC(C)(C)OC(=O)N(Cc1ccco1)c1ccccn1 71921553 GWBVHNBUYYJGSU-UHFFFAOYSA-N 274.320 3.616 0 40 CHAB CCCCCCc1c(C)[nH]c2nc3ccccc3n2c1=O 18240772 UXBZXTKPJWHCAQ-UHFFFAOYSA-N 283.375 3.607 0 40 CHAB CCCc1sc(NC(C)=O)nc1-c1ccc(OC)cc1 408835205 NDOFPDMJWOOSMC-UHFFFAOYSA-N 290.388 3.730 0 40 CHAB CCCCC(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20136555 DFZKJBDCOOOMIY-UHFFFAOYSA-N 290.146 3.820 0 40 CHAB CCCCCN1C(=O)S/C(=C\c2cccs2)C1=O 409213225 RRVUYSVYXLONTA-LUAWRHEFSA-N 281.402 3.975 0 40 CHAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CCC2=O 5764407 JRIZOGLBRPZBLQ-LFRCEIEQSA-N 272.388 3.697 0 40 CHAB biogenic CC1(C)C[C@](C)(c2ccc(N)cc2)c2ccc(N)cc21 33604943 CGSKOGYKWHUSLC-GOSISDBHSA-N 266.388 3.838 0 40 CHAB CCOC(=O)c1sc(SC)c2c1CC(C)(C)CC2=O 20286601 ALOYSIPFMHLTHJ-UHFFFAOYSA-N 298.429 3.802 0 40 CHAB CCc1nc(NC(=O)c2ccc3c(ccn3C)c2)sc1C 71284003 CZKUPOSNAOYVLU-UHFFFAOYSA-N 299.399 3.758 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccs1 34436126 XVMDUTAPDBTAAL-JTQLQIEISA-N 253.367 3.820 0 40 CHAB CCc1ccc([C@@H](C)N[C@H](CC)c2c(C)nn(C)c2C)o1 133847834 OPSAMYKIPSLRIM-IAQYHMDHSA-N 289.423 3.994 0 40 CHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)C 225221174 ZXBNEWCGHNJLLU-FZMZJTMJSA-N 283.799 3.658 0 40 CHAB Fc1ccc(NC(=S)NC2CCCCCC2)cc1F 225353510 BUYMFKUKMTXFFI-UHFFFAOYSA-N 284.375 3.974 0 40 CHAB Nc1cccc(CC[C@H]2CCc3ccccc3N2)c1 85392098 LUJOESZEGYTYMY-INIZCTEOSA-N 252.361 3.628 0 40 CHAB O=C(CCC1CCCC1)Nc1cc(-c2ccccn2)no1 96183987 HDOIHGMMAKTTHB-UHFFFAOYSA-N 285.347 3.646 0 40 CHAB CCC[C@H]1C[C@@H](NC(=O)c2ccccc2)[C@@H]2CCC[C@H]2O1 257276302 NTDLDXOTRRXVLJ-MWDXBVQZSA-N 287.403 3.543 0 40 CHAB Cc1nccn1CCCCN[C@H]1CCCc2sccc21 96478382 JTSJHIIVLYZNJG-HNNXBMFYSA-N 289.448 3.700 0 40 CHAB Cc1nc(Nc2cc(F)ccc2C)cc(C(F)F)n1 1888879447 YTGMVKBGUZPELR-UHFFFAOYSA-N 267.254 3.914 0 40 CHAB Clc1ccc(NCc2nc3ccccc3[nH]2)cc1 13207509 YYVYLJWNGGTNJK-UHFFFAOYSA-N 257.724 3.828 0 40 CHAB O=C(CSCc1ccc(Cl)cc1)Nc1cccnc1 15435800 URBALSKTVSHEAZ-UHFFFAOYSA-N 292.791 3.607 0 40 CHAB CC(=O)c1ccc(OC(=O)C2(c3ccccc3)CCC2)cc1 16959425 QRBCUKRXILOBNO-UHFFFAOYSA-N 294.350 3.917 0 40 CHAB O=CNc1ccc(/C=C\c2ccnc3ccccc23)cc1 17062629 DQJCBLHSXHWKLY-YVMONPNESA-N 274.323 3.974 0 40 CHAB O=C(c1cc(Br)ccc1F)C(F)(F)Cl 158688744 QVVZANSSJWFBGE-UHFFFAOYSA-N 287.462 3.603 0 40 CHAB COc1cc(/C=C\c2ccc(O)cc2)cc(OC)c1 3225 VLEUZFDZJKSGMX-ARJAWSKDSA-N 256.301 3.580 0 40 CHAB biogenic,in-vitro C[C@]12CC=C3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2O 34124911 FABGTKBXHAEVKL-MHORFTMASA-N 270.372 3.519 0 40 CHAB Cc1cc(COc2ccc3ccccc3c2C=O)on1 21310295 GUMSYPLCJISNCM-UHFFFAOYSA-N 267.284 3.528 0 40 CHAB CCc1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 8793835 MPCYNRPQGOMZGP-UHFFFAOYSA-N 280.327 3.951 0 40 CHAB c1ccc2oc(N3CC[C@@H](c4ccsc4)C3)nc2c1 1775970687 PWFPZPGIIXLTDO-LLVKDONJSA-N 270.357 3.883 0 40 CHAB Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102184078 FUZHVAMTBFCXTN-OWLYRPNTSA-N 281.399 3.871 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)c1sc(C)nc1C 32978651 HAIOUZCUXIFLCL-UHFFFAOYSA-N 286.400 3.661 0 40 CHAB CN(Cc1cccc(F)c1)C(=O)Nc1ccccc1F 23077910 IGRTUZLQKFNCKB-UHFFFAOYSA-N 276.286 3.629 0 40 CHAB Cc1sc2ncnc(Nc3ccc(N(C)C)nc3)c2c1C 23618955 ZGMUSGZFUJSJGC-UHFFFAOYSA-N 299.403 3.513 0 40 CHAB O=C1CS[C@@H](c2ccccc2)N1c1ccc(F)cc1 67281 POFKZEIHONYHRP-HNNXBMFYSA-N 273.332 3.604 0 40 CHAB CC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2C)c1 10701121 XEDAYONCGHNPQU-UHFFFAOYSA-N 281.355 3.687 0 40 CHAB O=C(O)[C@@H](Sc1nc2ccccc2o1)c1ccccc1 6241633 GWEDGROZKOAEGM-ZDUSSCGKSA-N 285.324 3.746 0 40 CHAB CN(C)Cc1ccc(Cc2ccc(Cl)cc2)cc1 346567 PDGGHDLIWGFAKU-UHFFFAOYSA-N 259.780 3.992 0 40 CHAB CC(=O)n1c2ccccc2c2nc(NC(C)C)sc21 496306 CLXLIXCGTAQAAR-UHFFFAOYSA-N 273.361 3.731 0 40 CHAB O=C(NCc1ccccc1F)c1ccc(C(F)(F)F)cc1 2631103 AYSDOAWWBZWVLK-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@H]1Cc1ccc(Cl)cc1 100998737 RHLPSTLAMLIWBZ-INIZCTEOSA-N 298.773 3.921 0 40 CHAB O=C1CCN(Cc2ccccc2)[C@@H](c2ccccc2)C1 21987422 SXBALVCQZRIWQR-GOSISDBHSA-N 265.356 3.593 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 20106717 IHSLCISLOVNLBB-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB Cc1ccccc1-c1csc(-c2cnn(C)c2)n1 48356513 FMMNTBXGGDINCS-UHFFFAOYSA-N 255.346 3.519 0 40 CHAB C[C@@H]1CCCN(C(=O)CCCc2c[nH]c3ccccc23)C1 13015285 IMANNOCBYADGIL-CQSZACIVSA-N 284.403 3.749 0 40 CHAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1C 3736575 GTGBFYKASMCWBS-SFHVURJKSA-N 292.382 3.720 0 40 CHAB CC[C@H](NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 13329006 XVTXPVLWXJMXEG-LBPRGKRZSA-N 268.788 3.889 0 40 CHAB COc1ccc2[nH]c(=S)n(CC(=O)c3ccccc3)c2c1 4053348 GKPABFWXAWHLJQ-UHFFFAOYSA-N 298.367 3.590 0 40 CHAB Cc1ccccc1S(=O)(=O)Nc1ccc(C(C)C)cc1 4660758 ZUJDJIFRCYILGC-UHFFFAOYSA-N 289.400 3.919 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1C[C@@H](C)C[C@@H](C)C1 4871745 UEQWWPMREGCWDQ-BETUJISGSA-N 284.403 3.637 0 40 CHAB CCCn1c(NC(=O)C2CCCC2)nc2ccccc21 4900528 XJHQKPXDVWAEHN-UHFFFAOYSA-N 271.364 3.575 0 40 CHAB COCc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 8726574 DYEQNNCQMQPPOC-SFHVURJKSA-N 295.382 3.640 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1ccc(F)cc1Cl 8719202 WKSWNNXNBTXVFB-UHFFFAOYSA-N 296.729 3.655 0 40 CHAB FC(F)(F)c1cc(-c2ncn[nH]2)cc(C(F)(F)F)c1 71607063 VREVSIZDNGOZRO-UHFFFAOYSA-N 281.159 3.509 0 40 CHAB Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1Cl 19813648 DLIPVPUUCIGDPE-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB CCC[C@]1(C)CCCN(C(=O)c2cccc(OC)c2)C1 72303839 XHFZBKGORFHODQ-QGZVFWFLSA-N 275.392 3.738 0 40 CHAB CCS[C@H]1CC[C@@H](N(C)Cc2csc(C)n2)C1 78947888 SPHOTXIWNLCTLH-OLZOCXBDSA-N 270.467 3.558 0 40 CHAB Cc1ccc(C(=O)Nc2cccc3c2CCN3C)c(C)c1 79093874 LWTHNFMQLLMWTR-UHFFFAOYSA-N 280.371 3.548 0 40 CHAB O=C(c1ccncc1Cl)N1CCC2(CCCCC2)C1 73120162 KINATBLXFJOQCA-UHFFFAOYSA-N 278.783 3.531 0 40 CHAB CC[C@H](C)OCc1c(Br)cnn1C(C)C 408716344 LTVZNFSKRJQHHA-VIFPVBQESA-N 275.190 3.542 0 40 CHAB O=c1ccc2ccccc2n1Cc1cccc2cccnc12 74285179 KIBNVWRBUQQMCK-UHFFFAOYSA-N 286.334 3.598 0 40 CHAB Nc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2)c1 20194169 GJMTYJURLUISHI-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)O)cc2c1 39321002 GLLFQKVJBXZJON-UHFFFAOYSA-N 293.344 3.947 0 40 CHAB Cc1ccc(-c2nnc(-c3c(C)nc4sccn34)o2)cc1 216603746 LRVLJLLULVVVPB-UHFFFAOYSA-N 296.355 3.730 0 40 CHAB Fc1ccc(-c2cncc(Br)c2)cc1F 72192739 FNQCFFZSPYVCJG-UHFFFAOYSA-N 270.076 3.789 0 40 CHAB OC(CSc1ccccc1)CSc1ccccc1 39262598 UTEZTCVRMVTVSA-UHFFFAOYSA-N 276.426 3.932 0 40 CHAB COC(=O)C[C@@H](C)SCc1ncc(-c2cccs2)o1 79358951 KKAUYFANVRWPKH-SECBINFHSA-N 297.401 3.588 0 40 CHAB Cc1cccnc1C(=O)c1ccccc1C(F)(F)F 45028658 OSTBBBXORLMKML-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1cc(NC(=O)C(F)(F)F)cc(C)c1OCC(C)C 225588898 KARYVPDGILFAPJ-UHFFFAOYSA-N 289.297 3.839 0 40 CHAB NC(=O)/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 44262087 YDLVFRLLFURQSR-UTCJRWHESA-N 282.126 3.752 0 40 CHAB Cc1ccc(CN(C)C(=O)Cc2ccccc2Cl)cc1 45824984 FDRAGUVTOOQTMU-UHFFFAOYSA-N 287.790 3.850 0 40 CHAB CCN1c2cc(C)c(C(=O)O)cc2[C@@H](C)CC1(C)C 223777514 IBWVANKMELOFIG-NSHDSACASA-N 261.365 3.805 0 40 CHAB O=c1[nH]c(-c2ccco2)nc2sc3c(c12)CCCCC3 46703243 NNLRLHCQJKXJPY-UHFFFAOYSA-N 286.356 3.514 0 40 CHAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(C)(C)F 195579196 OVIAQOAXFAIIGW-SNVBAGLBSA-N 286.416 3.842 0 40 CHAB CCCN(CCCC(=O)O)c1cc(Cl)ccc1C 224992755 DYJZHQUZKCMRPH-UHFFFAOYSA-N 269.772 3.730 0 40 CHAB Brc1ccc([C@H]2C[C@H]2Br)cc1 149280530 WTUXFTDVACRZOV-RKDXNWHRSA-N 275.971 3.700 0 40 CHAB C[C@H]1CCN(C(=O)c2ccn(C)c2)c2ccccc2S1 95966856 XQGNYSITRJCMCS-LBPRGKRZSA-N 286.400 3.556 0 40 CHAB Oc1ccc(F)cc1Nc1nc(-c2ccncc2)cs1 95920680 RMWZRYBJQMKPMA-UHFFFAOYSA-N 287.319 3.793 0 40 CHAB in-vitro CC[C@H](C)Oc1cccc(N[C@H](C)c2cnn(C)c2)c1 51780142 DVGXQZYIHQTBJR-QWHCGFSZSA-N 273.380 3.771 0 40 CHAB C[C@H]1C[C@H](C)CN(c2cccc(Br)c2)C1 95915524 IBSOWDJIYWZHMS-QWRGUYRKSA-N 268.198 3.931 0 40 CHAB O=C(N[C@@H](c1ccsc1)c1cccs1)C1CCC1 390827466 YFSJZHJLRDUGBK-ZDUSSCGKSA-N 277.414 3.815 0 40 CHAB CCOC(=O)c1coc(Cc2cccc3ccccc23)n1 585656337 DKIHIAJYPFBLEA-UHFFFAOYSA-N 281.311 3.595 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2-n2cccn2)C1 48151645 LFXLFKJSADVSEQ-KGLIPLIRSA-N 298.390 3.573 0 40 CHAB CN(CCC(F)(F)F)Cc1ccc(Br)cc1 57595721 RNWZZHBTKCJYTK-UHFFFAOYSA-N 296.130 3.833 0 40 CHAB Cc1cc(Nc2cccc(O)c2)nc2ccccc12 5587772 IPUJBIHNJUZCOT-UHFFFAOYSA-N 250.301 3.992 0 40 CHAB COc1ccc([C@H](O)Cc2nc3ccccc3s2)cc1 5513919 OKCDEXNVAZWANF-CQSZACIVSA-N 285.368 3.581 0 40 CHAB COc1ccc(CNc2ccccc2C)cc1OC 8701811 XMAKIUDFAKMNBH-UHFFFAOYSA-N 257.333 3.624 0 40 CHAB O=C(c1ccccc1)c1ccc2ccccc2c1C(=O)O 1621309 YIRPAPKIKQKCJW-UHFFFAOYSA-N 276.291 3.769 0 40 CHAB O=C(NCc1ccc(-c2ccsc2)o1)c1cccs1 575611859 YPSFKXIINGWVER-UHFFFAOYSA-N 289.381 4.000 0 40 CHAB CC(C)(C)C(=O)NC[C@@H](c1ccco1)c1cccs1 585146705 DWZIEIAZUCDMRO-NSHDSACASA-N 277.389 3.635 0 40 CHAB CC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C 27700 NPJVGQHTXJHUEL-DYVFJYSZSA-N 280.371 3.985 0 40 CHAB COc1ccc(C2=CCN(C(=O)c3ccccc3)CC2)cc1 40119711 BGMLWAMZHSLMKN-UHFFFAOYSA-N 293.366 3.625 0 40 CHAB CC(C)(C)c1noc(CN2CCC[C@H]2c2ccsc2)n1 40105869 ZSGOPNRZQXINTR-LBPRGKRZSA-N 291.420 3.766 0 40 CHAB COc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)O)c2c1 68953 ALPKHODHHOVLRR-UHFFFAOYSA-N 297.285 3.748 0 40 CHAB CCOCCCC(=O)N1[C@H](C)CCC[C@@H]1c1ccccc1 79059951 YYGNUYPTLQGKDC-NVXWUHKLSA-N 289.419 3.945 0 40 CHAB Cc1ccc(C(C)C)cc1[C@@H](O)CN1CCCCC1 1667135 KYZKBGNXPBDDHT-KRWDZBQOSA-N 261.409 3.638 0 40 CHAB c1ccc(CCSc2nnc3[nH]c4ccccc4n23)cc1 4267747 KKGIZOHTZRNYSS-UHFFFAOYSA-N 294.383 3.545 0 40 CHAB COc1ccccc1OC(=O)c1ccc(Cl)cc1 4921594 NPQPAQLPNOGAPP-UHFFFAOYSA-N 262.692 3.568 0 40 CHAB Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(O)c1 6454061 TVLIARLKZANUTH-UHFFFAOYSA-N 295.260 3.972 0 40 CHAB CCOC(=O)c1cc(C(F)(F)F)cc(Cl)c1F 44200473 ZKJDODRSQKYJLY-UHFFFAOYSA-N 270.609 3.675 0 40 CHAB Cc1nc2cc(NC(=O)c3cccc(F)c3)ccc2o1 57541778 VXBLLSGEJFQWRX-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB O=[S@@](Cc1ccc(Cl)cc1)Cc1ccccc1F 58132246 YULZNZQCFBIKTD-GOSISDBHSA-N 282.767 3.928 0 40 CHAB Cc1ccc(CSCC(=O)Nc2nc(C)cs2)cc1 8909618 IOXLZLKZIXTDOA-UHFFFAOYSA-N 292.429 3.632 0 40 CHAB C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)C1CC1 10219690 QGEDTSQUBFRLEJ-JTQLQIEISA-N 293.457 3.694 0 40 CHAB CC(C)CCn1cnc2c([nH]c3ccc(Cl)cc32)c1=O 2345165 GLMOSUJFLBBESL-UHFFFAOYSA-N 289.766 3.577 0 40 CHAB O=C(Nc1ccccc1)c1ccc(CNC2CCCC2)cc1 11011353 MOJVWWSBDRVPDD-UHFFFAOYSA-N 294.398 3.971 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(F)cc1)C2 100749297 DWICXINJNFRVIU-SUYBPPKGSA-N 275.367 3.770 0 40 CHAB Cc1cccc(C(=O)c2ccccc2CN2CCC2)c1C 2515615 CQHPCDMCENVNSJ-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB C[C@@](Cc1ccccc1)(C(=O)O)c1cccc(Cl)c1 11732596 STFPLJHNDCUUGV-INIZCTEOSA-N 274.747 3.925 0 40 CHAB CC(=O)Nc1cc(-c2nc(-c3cccs3)no2)ccc1C 95394378 MSDCYPKPFRYXIV-UHFFFAOYSA-N 299.355 3.732 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2ccc(F)cc2)cc1 20036935 CCYSIZQSCGQUOE-LBPRGKRZSA-N 257.308 3.625 0 40 CHAB COc1ccc(C)cc1NC(=O)Cc1ccc(C)c(C)c1 3432178 KUNGSBRTTBJYND-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB CCC[C@H](C)NC(=O)Cc1coc2cc(C)c(C)cc12 13002034 VOACTXZAFREEGB-ZDUSSCGKSA-N 273.376 3.897 0 40 CHAB COc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1 3904650 WHLNRMKQQOKSAV-DHZHZOJOSA-N 250.301 3.742 0 40 CHAB biogenic Cc1cc(C)cc(CN[C@H](CN(C)C)c2ccccc2)c1 49900533 CLEJVXUTFXKMCI-LJQANCHMSA-N 282.431 3.696 0 40 CHAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(C(C)C)cc2)c1 14110291 AHQCKHBAEHFIRC-UHFFFAOYSA-N 270.332 3.593 0 40 CHAB Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Cl)n1 4501868 SKONLXXCLXURLV-UHFFFAOYSA-N 293.157 3.739 0 40 CHAB c1ccc(-c2ccccc2OC[C@H]2CCCNC2)cc1 14631175 NRIFYSHYGKWGQJ-HNNXBMFYSA-N 267.372 3.732 0 40 CHAB CCc1ccccc1NC(=O)c1cc(N)ccc1Cl 20194139 MBFAHYIFRDZEDX-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB CCCOc1ccc(CNc2cc(CN(C)C)ccn2)cc1 95972337 WQJBSTKFKSWGCJ-UHFFFAOYSA-N 299.418 3.544 0 40 CHAB c1cnc2c(CSC3=N[C@@H]4CCCC[C@H]4N3)cccc2c1 8935662 HMSGAMFZHSIYBJ-HUUCEWRRSA-N 297.427 3.738 0 40 CHAB NCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 20224335 AQBDXFSBSYWWKD-UHFFFAOYSA-N 295.169 3.704 0 40 CHAB O=C1S/C(=C/c2ccco2)C(=O)N1CC1CCCCC1 409135653 ZNUWUYOBKSJUMJ-UKTHLTGXSA-N 291.372 3.896 0 40 CHAB Cc1cc(C)c(NC(=O)c2cc3ccccc3o2)c(N)c1 70462868 WWCSJZLJIZGMHI-UHFFFAOYSA-N 280.327 3.884 0 40 CHAB Cc1cc(C)c2c(NC(=O)OC(C)(C)C)noc2c1 72209025 ZHCYLOSQHWZVSP-UHFFFAOYSA-N 262.309 3.792 0 40 CHAB O=C(c1ccccc1)c1cc(Cl)c(O)cc1Cl 34219734 RLVMAKJBZIXSIK-UHFFFAOYSA-N 267.111 3.930 0 40 CHAB FC(F)c1nnc(SCc2ccc(Cl)cc2)[nH]1 216902369 AMEYOPBVUWXWEX-UHFFFAOYSA-N 275.711 3.688 0 40 CHAB CCSc1ncccc1[C@@H]1CCCN1CC(C)C 72217184 GAHLGKNYILYNJE-AWEZNQCLSA-N 264.438 3.987 0 40 CHAB Nc1nnc(-c2ccc(-c3ccccc3Cl)o2)s1 40537959 RLXSAHMCMMYBBP-UHFFFAOYSA-N 277.736 3.701 0 40 CHAB Cc1ccc(O[C@H](Cc2c(C)cccc2C)C(=O)O)cc1 225030560 ZTZKXGUJRRXGPH-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB Clc1ccc(-c2nc(CNc3ccccc3)n[nH]2)cc1 40174441 XWFAAXMMRCYXSS-UHFFFAOYSA-N 284.750 3.737 0 40 CHAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)C(C)C)cc(C)c1Cl 225207048 LLDAMALMRKNICD-OLZOCXBDSA-N 297.826 3.885 0 40 CHAB CC(C)c1ccc(O[C@@H]2CCCNC2)c(Br)c1 42774701 XUONBQDRNBTXNO-GFCCVEGCSA-N 298.224 3.703 0 40 CHAB CSc1ccc(CNc2ncnc3ccccc23)cc1 48962875 RRGRXZMKQYESJI-UHFFFAOYSA-N 281.384 3.964 0 40 CHAB CCOc1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1C 223526369 PPYDXQHARBIPTL-UHFFFAOYSA-N 297.398 3.974 0 40 CHAB COc1sc(C(=O)O)c(OCc2ccccc2)c1Cl 96510982 SBZHSKJHFGNZJG-UHFFFAOYSA-N 298.747 3.687 0 40 CHAB C[C@H](NCc1nnc(-c2ccccc2)o1)c1ccccc1F 40460656 YRCQOMIWJPNDEV-LBPRGKRZSA-N 297.333 3.727 0 40 CHAB Cc1cc2c3c(c1)c(O)c(-c1ccccc1)c(=O)n3CCC2 100019254 HTMNAMCJEBWORS-UHFFFAOYSA-N 291.350 3.629 0 40 CHAB FC(F)Sc1ccc(NCc2nnc(C3CC3)o2)cc1 95409859 AEKDEQZTHBRANN-UHFFFAOYSA-N 297.330 3.874 0 40 CHAB Cc1nnc(CN[C@H](C)c2cccc3ccccc23)s1 95984267 KHVSCRZTXZJVGY-LLVKDONJSA-N 283.400 3.851 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2ccccc2F)c(C)c1 20457012 FYIXZUUJXLSMSM-ZDUSSCGKSA-N 271.335 3.934 0 40 CHAB CCc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 5034266 FYJJDACCKKEDKN-UHFFFAOYSA-N 279.339 3.664 0 40 CHAB biogenic,in-vitro Cc1ccc(COC(=O)Cc2c[nH]c3ccccc23)cc1 5398983 JWBPHBUPEDZEDM-UHFFFAOYSA-N 279.339 3.762 0 40 CHAB Cc1ccc(O)c(C(=O)CSc2nc3ccccc3[nH]2)c1 5634820 IEGVRXIFNBPBEI-UHFFFAOYSA-N 298.367 3.552 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)s2)[C@@H]1C 13006295 GNAQFHZACMKTJG-AEJSXWLSSA-N 271.813 3.956 0 40 CHAB Cc1cccc(NC(=O)Nc2ccc(S)cc2)c1 16349694 WLUYHBMIWOMCOV-UHFFFAOYSA-N 258.346 3.928 0 40 CHAB CC[C@@H]1N2CCc3c([nH]c4ccccc34)[C@@H]2[C@H]2CCCCN12 19329919 WETNQTVELGGQDM-AOIWGVFYSA-N 295.430 3.671 0 40 CHAB O=C(Nc1ccccc1F)c1ccc2c(c1)CCCC2 8060739 AGXQSJMYTPTXQP-UHFFFAOYSA-N 269.319 3.957 0 40 CHAB C[C@@H](Nc1ncnc(C2CC2)c1F)c1ccccc1 1888857076 HAIVOBGRYRYMTG-SNVBAGLBSA-N 257.312 3.666 0 40 CHAB Cc1ccc(F)cc1NC(=O)NC1CCCCCC1 40023770 JLZMHHORXFJVBH-UHFFFAOYSA-N 264.344 3.978 0 40 CHAB CC(C)(C)c1ccc(C(=O)CC(=O)C(F)(F)F)cc1 100478889 UROAUAWOKMUVMK-UHFFFAOYSA-N 272.266 3.688 0 40 CHAB CC(C)c1noc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)n1 40489669 QWUHBHPCIAQDBI-JTQLQIEISA-N 295.333 3.664 0 40 CHAB Cc1nc(-c2c[nH]c(C(=O)NCCC(C)(C)C)c2)cs1 31759495 DBIVYOZJQOGHGL-UHFFFAOYSA-N 291.420 3.613 0 40 CHAB CN(C)Cc1ccccc1Sc1ccccc1O 346287 LIUYMMIIJPJJSD-UHFFFAOYSA-N 259.374 3.605 0 40 CHAB C[C@@H](NC(=O)NCc1ccco1)c1ccc2ccccc2c1 32841245 JHFFNIOUBADOPX-CYBMUJFWSA-N 294.354 3.993 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1cccc2ncccc12 556599 NGUSYGBVBMKXQQ-VAWYXSNFSA-N 274.323 3.887 0 40 CHAB biogenic C[C@@H](CC(=O)N1CCCC1)c1ccccc1Br 104161744 YRRXVOYIUZRDHC-NSHDSACASA-N 296.208 3.565 0 40 CHAB COc1ccc(N2C(=O)[C@@H](C)SC23CCCCC3)cc1 205366 OCDYJTOXHXGYBH-GFCCVEGCSA-N 291.416 3.824 0 40 CHAB CC(=O)n1nc(-c2ccccc2)cc1-c1ccccc1 349323 LEZLHOKJTQXBOW-UHFFFAOYSA-N 262.312 3.877 0 40 CHAB CC(C)(C)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 354402 UXUKIXBZWSPGRR-UHFFFAOYSA-N 295.448 3.595 0 40 CHAB Cc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 383549 DIYAZWAHPXYDNX-UHFFFAOYSA-N 291.144 3.977 0 40 CHAB CCOc1ccccc1C(=O)Oc1ccc(CC)cc1 1016962 BXDGGBPEIJALNM-UHFFFAOYSA-N 270.328 3.867 0 40 CHAB COc1cc2ccc3c(c2cc1OC)CCc1cnoc1-3 1556348 SGHKGRHEEDBJDL-UHFFFAOYSA-N 281.311 3.611 0 40 CHAB Cc1ccc(-c2nnc3c4ccccc4ccn23)cc1 1702917 KYOSZNVQIYWEOX-UHFFFAOYSA-N 259.312 3.858 0 40 CHAB CO[C@](F)(C(=O)Nc1ccccc1C(C)C)C(F)(F)F 2066483 WEEYAPWWFCKRNL-GFCCVEGCSA-N 293.260 3.623 0 40 CHAB Cc1ccc(C(=O)C[C@@H](SCCO)c2ccco2)cc1 2708418 AXGDTYZBOVLJNJ-MRXNPFEDSA-N 290.384 3.628 0 40 CHAB Cc1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c(C)c1 3097288 MNLBANLVYHVZKB-ACJLOTCBSA-N 285.387 3.619 0 40 CHAB O=C1N(c2ccccc2)[C@@H](c2ccccc2F)C1(F)F 3195635 AOKCLXHHVHILMU-ZDUSSCGKSA-N 277.245 3.549 0 40 CHAB O=C(Cc1ccccc1Cl)Nc1ccc(F)cc1F 3561525 RKRKCUKFXSZARJ-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB C[C@]12CC[C@H]3c4ccc(O)cc4C=C[C@@H]3[C@@H]1CC[C@@H]2O 4655205 VVLCELUSWGWMSW-ATIWLJMLSA-N 270.372 3.690 0 40 CHAB Cc1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1 4950243 GKVCFNHJIUUJPX-UHFFFAOYSA-N 285.734 3.548 0 40 CHAB O=C(NCc1ccccc1)C1(c2ccc(Cl)cc2)CC1 5557718 CBUSRNMMQPLSHC-UHFFFAOYSA-N 285.774 3.688 0 40 CHAB O=C(NC1CCCCC1)N1CCC(c2ccccc2)CC1 6474833 XJAQGVHCDQNDHB-UHFFFAOYSA-N 286.419 3.908 0 40 CHAB CCc1ccc(NC(=O)c2noc3c2C[C@H](C)CC3)cc1 7000174 DRPXHNBSGWKBRI-LLVKDONJSA-N 284.359 3.614 0 40 CHAB O=C(CNc1ccc(F)cc1)Nc1ccccc1Cl 7971630 LPXPHPYFONFXDP-UHFFFAOYSA-N 278.714 3.530 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccc(Cl)cc2C)s1 7995401 XKVBRFZDHTZUJR-UHFFFAOYSA-N 280.780 3.974 0 40 CHAB CC(C)COc1ccccc1C(=O)NCCc1ccccc1 8722856 XEJYQISTKCZIPO-UHFFFAOYSA-N 297.398 3.694 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccsc1)c1nc2ccccc2[nH]1 8775479 OOVBTVFCMOFQLV-XUIVZRPNSA-N 297.383 3.515 0 40 CHAB Cc1c(-c2ccccc2)ncn2c1nc1ccccc12 9156344 RZWKZHROLZPNDK-UHFFFAOYSA-N 259.312 3.858 0 40 CHAB O=C(N[C@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1 11211865 TYNJZBFIALGISD-MRXNPFEDSA-N 287.309 3.846 0 40 CHAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccco1 12849603 ZQKGDAGMMPKZRW-CYBMUJFWSA-N 295.338 3.689 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc3ccccc3c2)C1 15434123 SOVOUOQQYLXVNS-KBPBESRZSA-N 267.372 3.958 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)Nc1ccc(F)cc1 16608839 QQWDCMGTEYILPJ-PHIMTYICSA-N 250.317 3.621 0 40 CHAB Cc1c(C(=O)N[C@H](C)c2ccncc2)oc2c(F)cccc12 19565810 XZZJYSISYQRMKE-LLVKDONJSA-N 298.317 3.766 0 40 CHAB CCCO[P@@](C)(=O)OC[C@@H]1CCCN2CCCC[C@@H]12 20111218 IRSGFXOKDNHIQR-CKFHNAJUSA-N 289.356 3.517 0 40 CHAB biogenic Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 20111408 MKVCVTLPOLLYON-AWEZNQCLSA-N 285.362 3.862 0 40 CHAB C[C@H](CCc1ccc2c(c1)OCO2)NC(C1CC1)C1CC1 20131049 YFKFAAMDCHJBOZ-GFCCVEGCSA-N 287.403 3.515 0 40 CHAB CC(C)(C)c1noc(-c2ccnc3ccccc23)n1 20451388 PCEIEABAKKGYOS-UHFFFAOYSA-N 253.305 3.582 0 40 CHAB Nc1nc(Cl)cc(-c2cccc3ccccc23)n1 20534023 ALUBSZGHFDXJIU-UHFFFAOYSA-N 255.708 3.532 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc3scnc3c2)cc1 21000975 YHZADIYCVGYUNY-UHFFFAOYSA-N 282.368 3.786 0 40 CHAB O=C(CCC1CCCC1)Nc1cc(-c2ccccc2)n[nH]1 28304957 WHDZUSFWNIQZAK-UHFFFAOYSA-N 283.375 3.986 0 40 CHAB Fc1cc(CN2CCc3ccccc3C2)c2ncccc2c1 32825144 NVXBVHXSLFHTMZ-UHFFFAOYSA-N 292.357 3.932 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 32843556 ASPYFXXJLMCGBS-SUMWQHHRSA-N 297.423 3.971 0 40 CHAB Cc1ccc2oc(-c3cccc(C(=O)O)c3)nc2c1 33420447 KXKVQXJIEZLWTI-UHFFFAOYSA-N 253.257 3.501 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2cc3ccccc3[nH]2)o1 37976477 SVLVIVAUODDYFC-NSHDSACASA-N 268.316 3.560 0 40 CHAB COc1ccccc1C=C(Br)Br 38817430 NFAKVKGWPCPOLY-UHFFFAOYSA-N 291.970 3.783 0 40 CHAB Clc1ccc2oc(-c3cccc(-n4cnnc4)c3)nc2c1 40542233 SDXKAUNQGMJIOJ-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB Cn1c(C(=O)O)c(-c2ccccc2)c2ccccc21 42784256 ZPUSQIWNVXTSPW-UHFFFAOYSA-N 251.285 3.544 0 40 CHAB O=C(O)/C=C/c1c[nH]c2cccc(OCc3ccccc3)c12 44214773 GDAPJUOZJKUSIN-MDZDMXLPSA-N 293.322 3.845 0 40 CHAB O=C(CCc1ccc(Cl)cc1Cl)NC1CCCC1 44597491 YLGPUOXECXYWPM-UHFFFAOYSA-N 286.202 3.985 0 40 CHAB Cc1ccnc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 45573939 QKBMCVCVOMBMIK-SNVBAGLBSA-N 286.400 3.829 0 40 CHAB COCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 46031587 NLSWIOXDQCCKOO-TZMCWYRMSA-N 276.380 3.533 0 40 CHAB COc1ccccc1C(=O)c1ccccc1OC(F)(F)F 55198947 MJFABZJOKZMQFS-UHFFFAOYSA-N 296.244 3.825 0 40 CHAB COc1ccc(CC(=O)NC(C)(C)CC(C)(C)C)cc1 57156190 SXYAHYDIIMGMHC-UHFFFAOYSA-N 277.408 3.569 0 40 CHAB Cc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 57897327 CNXWSYYNTZRFTE-QLFBSQMISA-N 274.408 3.585 0 40 CHAB CC(C)[C@H](C)NC(=O)C1(c2ccc(Cl)cc2)CC1 60626564 HUJPEQSQUWYTAI-NSHDSACASA-N 265.784 3.532 0 40 CHAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cccnc1 63962698 XOEQWLTYDAPWET-UHFFFAOYSA-N 295.367 3.821 0 40 CHAB O=C(CC1=CCCCC1)N1CCC[C@H](c2nccs2)C1 67047657 ABKLEIKAVCRNSK-AWEZNQCLSA-N 290.432 3.740 0 40 CHAB C[C@H](SCc1ccc(F)cc1)C(=O)NC1CCCC1 71818600 LJUOZTQRUADHIY-NSHDSACASA-N 281.396 3.506 0 40 CHAB CC[C@H](N)c1ccc(Sc2ccccc2)nc1C 72224231 DWVILWVTNZUHFO-AWEZNQCLSA-N 258.390 3.951 0 40 CHAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1cccc(F)c1 79501960 YKRGQMRZKOZQIO-UHFFFAOYSA-N 295.317 3.832 0 40 CHAB Clc1cc([C@@H]2CCCN2)ccc1Br 84199318 AUCPUFDMCZEBQK-JTQLQIEISA-N 260.562 3.527 0 40 CHAB COC[C@@H](C)S[C@@H](C)c1ncc(C(C)(C)C)o1 85228767 NRDRGRZXSBORDW-ZJUUUORDSA-N 257.399 3.801 0 40 CHAB Cc1c(CN[C@@H]2C[C@H](C)Sc3sccc32)cnn1C 90888183 GVJLDNOYTKRYPR-TVQRCGJNSA-N 293.461 3.505 0 40 CHAB Cc1ccc([C@H](O)c2cc(F)cc(Cl)c2)s1 95727935 FNGRNBCHJYMWOJ-GFCCVEGCSA-N 256.729 3.931 0 40 CHAB C[C@H]1CCCN(c2cc(Br)ccc2F)C1 95915597 JWEDCCMYQJFIFK-VIFPVBQESA-N 272.161 3.825 0 40 CHAB CCSc1ccc([C@@H](C)NCc2nnc(C)s2)cc1 95984888 BZNCPYCCEZOTIQ-SNVBAGLBSA-N 293.461 3.809 0 40 CHAB CC(C)Cn1cc(N[C@H](C)c2nc3ccccc3n2C)cn1 97038663 OJZWOUFTDYBVLX-CYBMUJFWSA-N 297.406 3.599 0 40 CHAB BrC1=C[C@@H]2[C@@H]3C=C[C@@H](c4ccccc43)[C@@H]12 104134108 NPPNDZKDSHBZLV-GFQSEFKGSA-N 259.146 3.962 0 40 CHAB Cc1ccc(C(=O)CC(=O)c2cccc(Cl)c2)c(O)c1 105991630 SPSQILRYYDFYLQ-UHFFFAOYSA-N 288.730 3.810 0 40 CHAB Cc1ccc(C[C@@H](OCc2ccccc2)C(=O)O)c(C)c1 225027388 PCZZUIJTSBHXEN-QGZVFWFLSA-N 284.355 3.516 0 40 CHAB Cc1ccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1C 225034628 VOSDHBYTGGOKBG-GOSISDBHSA-N 298.382 3.995 0 40 CHAB CCc1c(Br)cc(C=O)n1C1CCCC1 225304755 JOJWQZNBSFXJGU-UHFFFAOYSA-N 270.170 3.741 0 40 CHAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1C 225612682 MROFVWQNZKAPOP-KRWDZBQOSA-N 293.407 3.928 0 40 CHAB COc1ccc(NC(=O)[C@](C)(OC)C2CC2)c2ccccc12 225813230 KVQUUEGZTCMILA-GOSISDBHSA-N 299.370 3.602 0 40 CHAB CO[C@H]1CN(C2CCCC2)CC[C@@H]1Cc1ccccc1F 1615082726 KASQUIUJFRKPEK-QAPCUYQASA-N 291.410 3.648 0 40 CHAB C[C@H](Sc1ncccc1Cl)C(=O)NC1CCCCC1 11033834 LIWLHLZIJUXPTB-JTQLQIEISA-N 298.839 3.665 0 40 CHAB CC(C)CC(CC(C)C)OC(=O)[C@H](O)c1ccccc1 1600821 HQXIGSYJQXZGHA-MRXNPFEDSA-N 278.392 3.724 0 40 CHAB CC(=O)c1cccc(NC(=O)OC[C@H]2C[C@@H]3C=C[C@H]2C3)c1 1741635 ATBXXGYSMIORHO-VHDGCEQUSA-N 285.343 3.650 0 40 CHAB CN1C(=O)/C(=C2\Sc3ccccc3N2C)c2ccccc21 101409385 NDMJJMKWGIEUNF-ICFOKQHNSA-N 294.379 3.574 0 40 CHAB Cc1ccc(-c2c(N)n[nH]c2-c2cccs2)cc1 8701295 MEADIOBFUJMJCQ-UHFFFAOYSA-N 255.346 3.696 0 40 CHAB Cc1ccc(NC(=O)c2cccnc2Cl)cc1C 368216 SPOXQZPYLRUXHQ-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB Nc1ccc(-c2nc3ccc(F)cc3n2C2CC2)cc1 52125138 COIOZLNEPSHNLX-UHFFFAOYSA-N 267.307 3.760 0 40 CHAB Cc1ccc2c(c1)nc1n2C(=O)[C@]2(C)CC[C@@H]1C2(C)C 103134245 XTWQSORRZBPXII-GTNSWQLSSA-N 268.360 3.908 0 40 CHAB COc1ccc2c(CC(=O)Nc3ccc(F)cc3)coc2c1 2619458 CNMIHNKVWXXPNM-UHFFFAOYSA-N 299.301 3.762 0 40 CHAB Cc1cccc(C(=O)NCc2cccs2)c1-n1cccc1 32932113 KKRHVFKLSRLKOU-UHFFFAOYSA-N 296.395 3.777 0 40 CHAB Cc1ccc2[nH]c3c(N4C[C@@H](C)C[C@H](C)C4)ncnc3c2c1 544654 KTSJYCAKNVROQP-STQMWFEESA-N 294.402 3.902 0 40 CHAB CCC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 22623935 OOUHLDCXJMWTPU-SNVBAGLBSA-N 292.766 3.913 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)s1 171646469 FCCZZNRGNPJVJO-LLVKDONJSA-N 292.429 3.533 0 40 CHAB O=C(c1ccccn1)c1ccc(Cl)cc1Cl 43210495 CAVVDDAXVUDWLE-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 34868561 HZTMJYUGQMQDBE-ADEWGFFLSA-N 251.395 3.611 0 40 CHAB Cc1cccc(NC(=O)c2csc(-c3ccccc3)n2)n1 12523235 FFEDFWIJNOGHSE-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CC(C)Sc1ccccc1NC(=O)Cc1cccnc1 89891041 XGVDBNOVJTXOPO-UHFFFAOYSA-N 286.400 3.763 0 40 CHAB CCN(CCC(F)(F)F)C(=O)CCc1ccc(F)cc1 58404889 UCXWEJXPKNSYKF-UHFFFAOYSA-N 291.288 3.559 0 40 CHAB CC(C)(C)c1nnc(COc2ccc(F)cc2Cl)o1 48355418 IKINFTDUOGGFCI-UHFFFAOYSA-N 284.718 3.739 0 40 CHAB Cc1cccc(CNC(=O)c2cccc(Cl)c2)c1 6207089 PSBHWAJFVJAKRJ-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB Cc1occc1C(=O)Nc1ccc(N2CCCCC2)cc1 5259105 AZKYXTUVUUTOFL-UHFFFAOYSA-N 284.359 3.831 0 40 CHAB Cc1cc(C)c(C(=O)NCc2ccccc2)c(C)c1 16989340 WPOQBGRIKIFRJF-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB CC[C@@H](CNC(=O)c1cccc(N(C)C)c1)c1ccccc1 18153085 OXGRHWRGNNYXNT-HNNXBMFYSA-N 296.414 3.676 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cc(F)cc(F)c2)c1 5938429 QWPINODBZDPQJK-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Fc1ccccc1CNCc1ccc(Br)cc1 19949583 PCHIGUZTYGWYMH-UHFFFAOYSA-N 294.167 3.878 0 40 CHAB CCC(CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)O 72233674 XWSNHYHGZYOUTP-QWHCGFSZSA-N 299.411 3.523 0 40 CHAB Cc1ccc([C@H](C)NCc2cccc(CO)c2)c(C)c1 95421978 AMATZJLJULKYJR-HNNXBMFYSA-N 269.388 3.647 0 40 CHAB Cc1ccc(CNc2ccc(Br)cn2)cc1 19986949 CRILQQKCZVJGPN-UHFFFAOYSA-N 277.165 3.765 0 40 CHAB CCCCNCc1cccn1Cc1ccccc1C 35727299 HJLBFWPALMQRNA-UHFFFAOYSA-N 256.393 3.735 0 40 CHAB CC[C@@H](c1ccccc1)c1nc(-c2cccc(N)c2)no1 35697287 ZZSZEPPZTVUHOY-HNNXBMFYSA-N 279.343 3.861 0 40 CHAB Nc1ccc(-c2ccc3nn(-c4ccccc4)nc3c2)cc1 3844697 OZEHZYBPFUYOGZ-UHFFFAOYSA-N 286.338 3.670 0 40 CHAB biogenic CCOC(=O)C[C@H](c1cccc(Cl)c1)N1CCCCC1 72210311 RPTFEHKMIOQHFU-OAHLLOKOSA-N 295.810 3.820 0 40 CHAB Cc1nc(NC[C@@H]2CCCO2)sc1-c1ccccc1 32666072 NBQYWEYNWCHHRF-ZDUSSCGKSA-N 274.389 3.709 0 40 CHAB O=C(Nc1ccc2sncc2c1)C1CCCCC1 188234049 WTQANYSWWQQOFD-UHFFFAOYSA-N 260.362 3.815 0 40 CHAB CNCc1cnc(SC2CCCCC2)cc1C 72223849 IXHUTBACQBTZOO-UHFFFAOYSA-N 250.411 3.534 0 40 CHAB CCN(CC)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 42124337 YLMPOSNSIJXMKB-AWEZNQCLSA-N 277.408 3.754 0 40 CHAB CC[C@H](NC(=O)N1CCSCC1)c1ccc(Cl)cc1 45404727 RRCGFRBJWKBRQM-ZDUSSCGKSA-N 298.839 3.550 0 40 CHAB Cc1ccccc1[C@@H](NCc1cnn(C)c1)C(C)(C)C 80347490 CFEFNAFKVNKKGN-MRXNPFEDSA-N 271.408 3.606 0 40 CHAB CCCCn1c(Cc2ccc(C)cc2)ccc1C(=O)OC 226029659 YAHJUEGGAWSRTD-UHFFFAOYSA-N 285.387 3.974 0 40 CHAB C[C@@H](NC(=O)NC1CCCCC1)c1ccc2c(c1)CCC2 223260453 CWZSOZOPGHGDCW-CYBMUJFWSA-N 286.419 3.868 0 40 CHAB CC(C)Cc1ccc(C(=O)O)n1Cc1ccc(F)cc1 226023379 FENXTXHQIZSEAW-UHFFFAOYSA-N 275.323 3.572 0 40 CHAB Cc1ccc(NC(=S)NCc2cccc(F)c2)cc1 46415923 KLAMVWUQBNUKEV-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB CC[C@@H](C(=O)O)N(CC)c1ccc(Cl)cc1Cl 224994420 LENHHBSLYROZFK-JTQLQIEISA-N 276.163 3.683 0 40 CHAB Fc1cc(F)cc(CNc2cccnc2Br)c1 231675062 ZGMKPUOXLUFDLJ-UHFFFAOYSA-N 299.118 3.734 0 40 CHAB Cc1ccc([C@H](O)c2cc(Cl)cc(Cl)c2)o1 95727579 XSBIVMNQGQRXTN-GFCCVEGCSA-N 257.116 3.977 0 40 CHAB CCCC1(COc2ccc(Br)cn2)CC1 95093834 KKDUGIHYKJEOIV-UHFFFAOYSA-N 270.170 3.803 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](OCc2ccccc2)C1 96302939 SIHORALXKHRJAD-HNNXBMFYSA-N 291.391 3.603 0 40 CHAB Fc1ccc(CNc2ccn(C3CCCC3)n2)s1 256051165 IABNNOFJFAEZTG-UHFFFAOYSA-N 265.357 3.811 0 40 CHAB Cc1c(C)n(C(=O)OC(C)(C)C)c2ccc(N)cc12 953080100 JZWHHGSUFKHLID-UHFFFAOYSA-N 260.337 3.624 0 40 CHAB O=C(CSc1ccc(F)cc1)Nc1ccc(F)cc1F 5192507 NOMDMVCOGCISFV-UHFFFAOYSA-N 297.301 3.835 0 40 CHAB CCc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2 13119458 TXZVRHZXENRQSX-UHFFFAOYSA-N 282.387 3.613 0 40 CHAB COC(=O)c1cc(NC(=O)C2CCCCC2)ccc1Cl 13716941 HTYFRTHPFCZZAS-UHFFFAOYSA-N 295.766 3.645 0 40 CHAB CCOc1ccccc1NCc1ccc(OC)cc1 19903844 UKGCXNKUAMRNNW-UHFFFAOYSA-N 257.333 3.706 0 40 CHAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(C)C1=O 6355889 WVEOJHSUNIRFKA-QQMDNXKGSA-N 291.372 3.530 0 40 CHAB CC(=O)Nc1ccc(OCc2ccccc2)c(S)c1 22051031 RAEVGIDMILXZIH-UHFFFAOYSA-N 273.357 3.513 0 40 CHAB in-vitro CC(=O)Nc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1 25313236 HAKRYOXOWKFMBE-SJCJKPOMSA-N 298.386 3.651 0 40 CHAB COCc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 25335602 RPFIYYDNICUXOG-IRXDYDNUSA-N 299.345 3.714 0 40 CHAB F[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C(F)(F)F 953062992 YIJWZMDLGVFHEO-NEPJUHHUSA-N 261.262 3.551 0 40 CHAB CC(=O)Nc1ccc(NCc2cccc(C)c2)cc1C 12536874 DHLCAGGDTWBLFI-UHFFFAOYSA-N 268.360 3.874 0 40 CHAB O=C(NCCOc1ccccc1)Nc1ccc(Cl)cc1 18177121 UIIUDKILIRHBGX-UHFFFAOYSA-N 290.750 3.541 0 40 CHAB O=C1CS[C@@H](c2cccs2)N1c1ccccc1 179929 BSVGMWCIZDSTDJ-ZDUSSCGKSA-N 261.371 3.527 0 40 CHAB O=C(c1cc(F)c(F)cc1Cl)N1CCc2ccccc21 107244 PXVOPQDTYQXOOT-UHFFFAOYSA-N 293.700 3.821 0 40 CHAB Cc1ccc(SCc2ccc(Cl)cc2)nn1 1693151 YETSWTJQHZBVMS-UHFFFAOYSA-N 250.754 3.731 0 40 CHAB Cc1cc2ccccc2[n+](C)c1-c1ccccc1F 1724715 FIWIIGGNEBHNCJ-UHFFFAOYSA-N 252.312 3.779 0 40 CHAB Cc1cccc(C)c1OCC(=O)Nc1ccc(F)c(F)c1 6128546 CSTQRDNNECHSDW-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB Cc1nc(-c2cccc(NC(=O)c3ccncc3)c2)oc1C 6232953 HFHCEQZSZWVOBH-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccc(OCC)cc1 6329289 MHEXBNHCHOADQB-NSHDSACASA-N 266.410 3.560 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)OCC(F)(F)F 32628782 KPBAQGXPKDBHJV-UHFFFAOYSA-N 271.597 3.590 0 40 CHAB in-vitro CCCCc1ccc(CC(=O)Nc2cc(C)ccn2)cc1 8726619 FAIASXXSLCSJBH-UHFFFAOYSA-N 282.387 3.914 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 33028605 HZTMJYUGQMQDBE-MVWJERBFSA-N 251.395 3.611 0 40 CHAB CCCCCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 20136607 WJRUPTIMCRQJPS-UHFFFAOYSA-N 269.728 3.557 0 40 CHAB ClC(Cl)(Cl)[C@@H]1NCCc2c1[nH]c1ccccc21 23583904 DPPAKKMPHBZNQA-LLVKDONJSA-N 289.593 3.725 0 40 CHAB in-vitro Clc1cccc(-c2n[nH]c(-c3cccs3)n2)c1 50200554 UUHSWZFSCYKGGM-UHFFFAOYSA-N 261.737 3.854 0 40 CHAB Clc1cccc2c(-c3nn4cnnc4s3)cccc12 59835253 VNAFJMCUWSBUIG-UHFFFAOYSA-N 286.747 3.659 0 40 CHAB CN(C)Cc1c[nH]c2cc(OCc3ccccc3)ccc12 1598256 ARPLSLHBKDIBNO-UHFFFAOYSA-N 280.371 3.809 0 40 CHAB in-vitro Cc1ccnc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1 12533830 MHKLXZYTKVGURG-TZMCWYRMSA-N 284.359 3.678 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)C1CCCC1 12851110 VATGDXWGRPSAGN-UHFFFAOYSA-N 284.359 3.665 0 40 CHAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)s1 12921929 CKHKJOSJHYSLQP-CQSZACIVSA-N 299.395 3.928 0 40 CHAB Cc1ccccc1CNC(=O)c1cc(Cl)ccc1F 7965948 RHJJXCQISADXMO-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC(C)CC1 17355498 WMBZAYKLBSGXHA-UHFFFAOYSA-N 284.359 3.522 0 40 CHAB Cc1ccccc1OCCCN(C)c1c(C)noc1C 72308945 VUOYTHXGDPPKKL-UHFFFAOYSA-N 274.364 3.505 0 40 CHAB Cc1cc([C@H](C)NCC[S@](=O)C(C)(C)C)c(C)s1 95422603 KPJPXWRRBNRULJ-BBATYDOGSA-N 287.494 3.563 0 40 CHAB Cc1ccc(NC2CCN(C(=O)c3ccoc3)CC2)cc1C 95453386 MQTCWRAWCNBNJO-UHFFFAOYSA-N 298.386 3.613 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1c(F)cc(F)cc1F 37358924 VHANHADHCNIVPD-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(C)cc1 30857310 DMNWTZXMINWOPI-KRWDZBQOSA-N 297.398 3.777 0 40 CHAB Cc1ccc(NC(=S)NCCC2=CCCCC2)nc1 33493278 SSSMPMUKCWMBHZ-UHFFFAOYSA-N 275.421 3.567 0 40 CHAB COc1cccc(-c2nc(Cl)cc(-c3cccnc3)n2)c1 78401327 SVSMMTFRFXNVOK-UHFFFAOYSA-N 297.745 3.868 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CC[C@H](c2ccsc2)C1 670935833 YASKJDAUUTYREP-NSHDSACASA-N 290.363 3.909 0 40 CHAB NC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 75934180 XZVLPLYLRJJJFV-UHFFFAOYSA-N 269.188 3.672 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(SCC)cc1 43214423 OEAIBKTVDNPABK-UHFFFAOYSA-N 280.389 3.715 0 40 CHAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCC(C)C 44839050 NMMSKPWAYNROII-ZDUSSCGKSA-N 285.840 3.983 0 40 CHAB COC(=O)C(C)(C)N1c2ccc(F)cc2C(C)=CC1(C)C 223205890 UEBYRGUOXVTPMZ-UHFFFAOYSA-N 291.366 3.779 0 40 CHAB Cc1ccc(O[C@@H](Cc2c(C)cccc2C)C(=O)O)cc1 225030529 ZTZKXGUJRRXGPH-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB Cc1cc(C)cc(-n2cccc2CNCC(C)C)c1 223682879 VZHKANKREVHQDL-UHFFFAOYSA-N 256.393 3.840 0 40 CHAB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1ccc(Cl)cc1 43879320 PZKWNHCRQTZIHT-DGCLKSJQSA-N 280.751 3.804 0 40 CHAB COC(=O)[C@H](C)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223193468 OPWNEBZMJUILNU-STQMWFEESA-N 275.392 3.649 0 40 CHAB CC(C)OCc1cccc(NC2CCN(C(C)C)CC2)c1 97371327 DAXHNWUILYNFSN-UHFFFAOYSA-N 290.451 3.896 0 40 CHAB Clc1ccc2c(c1)OC[C@@H](c1ccc3c(c1)OCO3)N2 96531234 PUNXFSYDTCGGBO-LBPRGKRZSA-N 289.718 3.614 0 40 CHAB C1=CC[C@@H]2[C@@H](C1)CN1CCc3c([nH]c4ccccc34)[C@@H]21 252694718 OUQFYCOJMMHQMV-VEVIJQCQSA-N 264.372 3.663 0 40 CHAB biogenic O=C(CC1CC1)N[C@@H](c1ccsc1)c1cccs1 575414941 SMEPYJBVWNDBDX-AWEZNQCLSA-N 277.414 3.815 0 40 CHAB Cc1ccc(C)c(OCc2ccc(C(=O)O)s2)c1 12357614 QETBHKGQTUYGNY-UHFFFAOYSA-N 262.330 3.642 0 40 CHAB Cc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 13167679 ZFKCBFGGVXVWGY-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB Cc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c(C)c1 13939116 XXGLMHWSXYBNTG-UHFFFAOYSA-N 297.464 3.797 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCc1ccccc1 14022285 SQTWDASJILOMDP-SFHVURJKSA-N 297.398 3.511 0 40 CHAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCCC1 19933274 PPCZAYYPUYLBRB-INIZCTEOSA-N 283.371 3.620 0 40 CHAB C[C@H]1CCC[C@@H](C)N1c1ccc(N)cc1Br 226316377 KSZBCYNMUUEHKE-AOOOYVTPSA-N 283.213 3.799 0 40 CHAB Cc1cc(C)cc(O[C@H](C)C(=O)NC2CCCCC2)c1 8041505 MBSMDRWWWNQZMJ-CQSZACIVSA-N 275.392 3.520 0 40 CHAB CCCOc1ccccc1NC(=O)c1ccccc1OC 10029563 HVHSDMDEDXCRGY-UHFFFAOYSA-N 285.343 3.736 0 40 CHAB Cc1nc(Nc2cccc(F)c2)cc(C2CCOCC2)n1 1888873373 UANOIAYVTYUGDO-UHFFFAOYSA-N 287.338 3.562 0 40 CHAB CCCCc1ccc(NC(=O)c2ncnc(C)c2C)cc1 1889005205 RNGURAHWCOHWFW-UHFFFAOYSA-N 283.375 3.688 0 40 CHAB CC[C@@]1(C)OC(=O)N2CCc3c([nH]c4ccc(C)cc34)[C@@]21C 4786464 YJPWBRBWODCYEW-QZTJIDSGSA-N 298.386 3.869 0 40 CHAB Cc1ccc(C(=O)C(F)(F)Br)cc1Cl 307255249 ZGXIHKYYZHAOBW-UHFFFAOYSA-N 283.499 3.819 0 40 CHAB O=C(NCc1ccccc1)N(Cc1ccsc1)C1CC1 44446745 QCWKXRWUGQPGNC-UHFFFAOYSA-N 286.400 3.622 0 40 CHAB COC(=O)c1ccccc1C(=O)CCC1CCCC1 575362201 AAKHFYIOHMACIY-UHFFFAOYSA-N 260.333 3.626 0 40 CHAB Cc1cc(=S)[nH]c2cc(Br)ccc12 106751 WODJGCFTELZCJJ-UHFFFAOYSA-N 254.152 3.968 0 40 CHAB Cc1cc(C(=O)N2CCC[C@H]2c2ccsc2)c(C)o1 36392046 MUQUHHFEVMBLDK-AWEZNQCLSA-N 275.373 3.935 0 40 CHAB Cc1noc(C)c1CN[C@H](C)c1ccccc1Cl 20253186 KTUUPQFQHNPAIJ-SECBINFHSA-N 264.756 3.796 0 40 CHAB CCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1 422642 MJADXEDMKKDCRI-UHFFFAOYSA-N 266.300 3.802 0 40 CHAB O=C(N[C@@H]1CCCc2occc21)c1cc2ccccc2[nH]1 40432422 FEMDSOBNZJVCHH-CQSZACIVSA-N 280.327 3.568 0 40 CHAB CN(C)CCC(=O)c1ccc(C2CCCCC2)cc1 6592101 GPORLFPFUPAQRA-UHFFFAOYSA-N 259.393 3.869 0 40 CHAB CCC[C@H](NC(=O)NOCc1ccccc1)c1ccccc1 32795281 GRAUPFSTSQSGIA-KRWDZBQOSA-N 298.386 3.959 0 40 CHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccco1 411095 QMGROHGHIDSKFC-UHFFFAOYSA-N 288.303 3.795 0 40 CHAB O[C@@H](c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 26462323 ZBHZMZKVUTXVCJ-ZDUSSCGKSA-N 293.153 3.951 0 40 CHAB Cc1ccccc1NC(=O)[C@]12C[C@H]3CC[C@]1(C)[C@]3(C)CO2 100700710 VEXFIHOUSZHFJY-BNEJOLLZSA-N 285.387 3.529 0 40 CHAB COc1ccc(C(=O)NC2(c3ccccc3)CCCC2)cc1 41528404 HFIPZCUTSJQOCP-UHFFFAOYSA-N 295.382 3.895 0 40 CHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H]1C[C@@H]1C 23646449 REKBCAZUUOEUIK-YOEHRIQHSA-N 287.447 3.916 0 40 CHAB Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1N(C)C 24573110 KUDIKJXZEHRHIL-IZZDOVSWSA-N 298.361 3.852 0 40 CHAB CSc1ccccc1C(=O)NC(C(C)C)C(C)C 408549064 WIMCOBJMWBQKRW-UHFFFAOYSA-N 265.422 3.819 0 40 CHAB CC(C)C(=O)Nc1nc2c(s1)CC[C@H](C(C)(C)C)C2 27583423 CFBMXCGSZJVKGC-JTQLQIEISA-N 280.437 3.889 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccccc2O)o1 14110844 KYKGYKJCXZAODC-AAEUAGOBSA-N 285.343 3.680 0 40 CHAB CCC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 5552197 FCJMQTGSOJEURJ-OAHLLOKOSA-N 297.354 3.938 0 40 CHAB CCCCCc1nnc(NC(=O)c2cccc(F)c2)s1 5617031 FEVRWSPPRIXPAP-UHFFFAOYSA-N 293.367 3.662 0 40 CHAB Clc1cc2nc(Br)[nH]c2cc1Cl 5973899 KEZMBKQTCPNSOF-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB in-vitro COc1ccc(F)cc1CS[C@H](C)c1nnc(C)o1 71862835 PBHBCKXGKJRGQA-MRVPVSSYSA-N 282.340 3.520 0 40 CHAB CC[C@](C)(NCc1ncc(C(C)C)o1)c1nccs1 72683673 PSSRPMWNDJDSSG-AWEZNQCLSA-N 279.409 3.670 0 40 CHAB O=C(C[C@@H]1CCCO1)Nc1ccccc1Nc1ccccc1 84553496 WFYHDELGCPRKOO-HNNXBMFYSA-N 296.370 3.938 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@H](C)SC(F)(F)F 33147917 UQMYAPPMHPXXRV-QMMMGPOBSA-N 293.310 3.584 0 40 CHAB COc1ccc(OCc2cccc(Cl)c2)c(C=O)c1 37021998 OZRBVHHZLFKVBL-UHFFFAOYSA-N 276.719 3.740 0 40 CHAB C[C@@H]1CC[C@](C)(C(=O)COC(=O)c2ccccc2)C1(C)C 3846098 DEVYPJFFYKGEEF-FZKQIMNGSA-N 288.387 3.875 0 40 CHAB biogenic Cc1cccc([C@H](O)c2cccc(Br)c2)c1 37465029 ZBMIXGKECIXMFV-AWEZNQCLSA-N 277.161 3.839 0 40 CHAB Nc1cc(C(=O)O)ccc1Nc1cccc2ccccc12 37930238 BTUWCCAOAKQPHW-UHFFFAOYSA-N 278.311 3.864 0 40 CHAB COc1ccc(Cl)cc1-c1ccc(/C=C/C(=O)O)o1 216764861 XLSRIZXYOOEBDW-QPJJXVBHSA-N 278.691 3.706 0 40 CHAB Fc1cc2c(Br)cncc2cc1Cl 72319635 LFSNMZKTWDLKEC-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)c1ccccc1 216379348 HEVCDMJDWZIVTM-MRXNPFEDSA-N 287.334 3.646 0 40 CHAB COC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 72207230 ZMEHYZAOFLUSPF-MNOVXSKESA-N 275.373 3.743 0 40 CHAB Clc1ccc(OCCC2OCCCO2)cc1Cl 89064049 JVHXBBWDNIAHGD-UHFFFAOYSA-N 277.147 3.525 0 40 CHAB Cc1cc(NCCN)c2cc(Oc3ccccc3)ccc2n1 222690807 VTSAYWPCIRYYRZ-UHFFFAOYSA-N 293.370 3.706 0 40 CHAB CC(C)Oc1cccc(C(=O)Nc2cccc([C@@H](C)O)c2)c1 226274348 BQXPURRLJWMVEZ-CYBMUJFWSA-N 299.370 3.779 0 40 CHAB CCCOc1c(Cl)cc(C(=O)N(CC)CC)cc1OC 42629758 KOWKLKIZOFPZCY-UHFFFAOYSA-N 299.798 3.619 0 40 CHAB Cc1ccnc(Nc2ccc(Br)cc2)c1 199715943 MHOAXLJAGQRGDD-UHFFFAOYSA-N 263.138 3.896 0 40 CHAB Cc1ccc(NC(=O)c2cnc(C3CC3)nc2)cc1Cl 222595369 ANJJVPVSEIMSRC-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB O=Cc1ccc(F)cc1OCc1ccccc1Cl 95738863 FYTBYBWBGFICNS-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB Cc1ccc([C@H]2OCCN(Cc3ccccc3)[C@@H]2C)cc1 140727414 MRJDEFWKIOSCAG-APWZRJJASA-N 281.399 3.957 0 40 CHAB CC(=O)Nc1cccc(CSCc2ccco2)c1 96416316 NQAGYHHDTFFVHI-UHFFFAOYSA-N 261.346 3.671 0 40 CHAB O=C(O)C1(c2cc(Cl)ccc2Cl)CCCC1 260129104 PXGANOCPVWWPRD-UHFFFAOYSA-N 259.132 3.890 0 40 CHAB COc1cc(OC)c(Cl)c(Br)c1Cl 98210187 JWWIYVNGLBZQDG-UHFFFAOYSA-N 285.952 3.773 0 40 CHAB C[C@H](c1cccc(Cl)c1)N(C)CCCn1ccnc1 84656007 ZLOXYIJCGSLCRJ-CYBMUJFWSA-N 277.799 3.620 0 40 CHAB O=C1OC(/C=C\c2ccccc2)=N/C1=C/c1ccccc1 6060334 RLOWORWEDZZSDF-PAZXJHTRSA-N 275.307 3.696 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(Cl)c1 5510749 CFWCRXRGCOGPAK-LLVKDONJSA-N 289.762 3.840 0 40 CHAB C[C@H](NC(=O)c1ccccc1Cl)c1cccs1 12853140 XFGDFVCNSNAMRR-VIFPVBQESA-N 265.765 3.893 0 40 CHAB C[C@@H]1CCCN(C(=O)CSCc2ccccc2Cl)C1 13671197 WFKISEUMMONIDT-GFCCVEGCSA-N 297.851 3.832 0 40 CHAB Cc1ccccc1OC[C@@H](O)CNC(C)(C)CC(C)(C)C 16758583 GZVCYICVYOJEAU-HNNXBMFYSA-N 293.451 3.539 0 40 CHAB Clc1ccc(CNNCc2cccc(Cl)c2)cc1 19167469 JHPUTNHTTSQHOF-UHFFFAOYSA-N 281.186 3.788 0 40 CHAB Cc1ccc(C(=O)NCc2ccccc2C2CC2)cc1 141347 BBWIGBMGZPCBTB-UHFFFAOYSA-N 265.356 3.802 0 40 CHAB c1ccc(SCc2csc(-c3ccccn3)n2)nc1 40030872 FAZJKXRERACGSW-UHFFFAOYSA-N 285.397 3.892 0 40 CHAB C[C@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1 45353625 BUUYHTPGJCUOIM-QMMMGPOBSA-N 266.753 3.539 0 40 CHAB CC1=C[C@@H]2[C@H](c3ccccc3)Nc3ccccc3N2C1=O 1558541 FTURAVHDLMSXIS-SJORKVTESA-N 276.339 3.515 0 40 CHAB CCOC(=O)c1ccc2c3c(ccc(C(=O)OCC)c13)C=C2 1702002 CRWYRTUNGZLSBI-UHFFFAOYSA-N 296.322 3.677 0 40 CHAB CC1CCN(CC(=O)Nc2cccc3ccccc23)CC1 1853849 AAIDTBKBIGJSMY-UHFFFAOYSA-N 282.387 3.510 0 40 CHAB CSCC(=O)Nc1ccc(-c2ccccc2)cc1 3448547 FKINAQZIMKGVDW-UHFFFAOYSA-N 257.358 3.655 0 40 CHAB O=c1[nH]c2ccccc2c2oc(-c3cccc(Cl)c3)nc12 354099 UDCUYPAERYYQQJ-UHFFFAOYSA-N 296.713 3.990 0 40 CHAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102169499 RFRFDCULURPQDK-ASHKBJFXSA-N 277.795 3.895 0 40 CHAB CC1=NN(c2ccccc2)C(=S)[C@@H]1C(=O)c1ccccc1 100935104 OFSJYAIKMAHYOV-HNNXBMFYSA-N 294.379 3.709 0 40 CHAB NCc1ccc(Br)cc1Oc1ccccc1 36985466 BRHBNMZJULCWFA-UHFFFAOYSA-N 278.149 3.700 0 40 CHAB in-vitro CCc1sc(C(=O)Nc2ccnn2C(C)C)cc1C 32969284 HBCDEIAENSQZPS-UHFFFAOYSA-N 277.393 3.649 0 40 CHAB O=C(CSCc1ccccc1Cl)Nc1cccnc1 567300 XVDQPVVFSRXZLK-UHFFFAOYSA-N 292.791 3.607 0 40 CHAB Cc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2[nH]1 42060532 ZGHCAMSFUHJSFU-JXMROGBWSA-N 277.327 3.523 0 40 CHAB O=C(CCc1ccc(F)cc1)NCc1ccccc1Cl 62076489 XYNISQULGZSYSK-UHFFFAOYSA-N 291.753 3.728 0 40 CHAB CC(=O)c1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106540317 QYANVCXWSKGWEC-MELADBBJSA-N 271.360 3.654 0 40 CHAB COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1 1405662 PVLOMXHKKBSQTP-UHFFFAOYSA-N 299.761 3.904 0 40 CHAB O=C(CCCc1cccs1)Nc1ccc(Cl)cn1 26088047 DOLPWDPXSXOIDX-UHFFFAOYSA-N 280.780 3.758 0 40 CHAB CCC(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 12687630 ZQADSEURWSHMIG-UHFFFAOYSA-N 285.372 3.948 0 40 CHAB CCOC(=O)/C=C/c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 12869623 UWGNVHMWKKKIOE-RZXPCSSPSA-N 299.370 3.558 0 40 CHAB CCOc1cc2c(cc1NC(=O)C1CCCC1)O[C@@H](C)C2 12977065 BIENDDRGYANYRV-NSHDSACASA-N 289.375 3.537 0 40 CHAB Cc1[nH]c2ccc(C(=O)Nc3ccccc3O)cc2c1C 13005871 PXJHDLJFFUDNBO-UHFFFAOYSA-N 280.327 3.743 0 40 CHAB CCCCOc1ccccc1[C@H]1NC(=O)c2ccccc2N1 4045549 LQLUPUIMDSQRPQ-QGZVFWFLSA-N 296.370 3.720 0 40 CHAB Cc1ccc(C)c(N[C@H](C(=O)N(C)C)c2ccccc2)c1 39982324 ALTGNVOLQGBZSX-KRWDZBQOSA-N 282.387 3.545 0 40 CHAB CC(=O)c1cc(CCC(=O)Nc2ccccc2F)oc1C 8749078 XTKRHNBCLVXGSC-UHFFFAOYSA-N 289.306 3.501 0 40 CHAB Cc1ccc(NC(=O)Cc2noc3c(C)cccc23)cc1C 4667881 KUPKWPYFDDYIGD-UHFFFAOYSA-N 294.354 3.934 0 40 CHAB CSc1ccc(N/C=C2/C(=O)Nc3ccccc32)cc1 5896950 NMBCFXFHGIACRN-GXDHUFHOSA-N 282.368 3.814 0 40 CHAB Cc1ccc(C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 8869585 WTKHTEQRSUUYIE-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)C2CC2)n1 9530692 ACTBHRSCSXPMOW-UHFFFAOYSA-N 297.383 3.948 0 40 CHAB C1=CC[C@@H](CN2CCN(CCCc3ccccc3)CC2)CC1 19900088 PIUGLYAIASQPLN-HXUWFJFHSA-N 298.474 3.593 0 40 CHAB Cc1ccsc1C(=O)OCc1nc2ccc(F)cc2o1 84251347 SQYSCTXHJZDYDM-UHFFFAOYSA-N 291.303 3.694 0 40 CHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1c(F)cccc1F 32501743 XWDPOXZLPJFYNR-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB Cc1ccc(SCCC(=O)NCCC(C)C)cc1 33026143 UDDDSKLSNIGHMX-UHFFFAOYSA-N 265.422 3.640 0 40 CHAB c1ccc(-c2nnc3n2N=C(C2CCCCC2)CS3)cc1 32604265 IBNGTXBRGSZNNN-UHFFFAOYSA-N 298.415 3.835 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2C(=O)c1ccccc1 39738103 IVDVAMTYPIOUEQ-GDZNZVCISA-N 256.345 3.511 0 40 CHAB Cc1nc(Cl)ccc1[C@@H]1CCCCN1C(C)C 72217920 BNUMWGABLJBQDM-ZDUSSCGKSA-N 252.789 3.979 0 40 CHAB Clc1cccc(Cl)c1SC[C@@H]1CCCN1 83308933 LXDXYSHOVORJLN-QMMMGPOBSA-N 262.205 3.838 0 40 CHAB C[C@@H](CNc1cccc(C[S@@](C)=O)c1)c1ccccc1 194158377 XTUXQCOKLLBHJP-VBKZILBWSA-N 287.428 3.781 0 40 CHAB CC(=O)N1CCCc2cc(NCc3cccc(F)c3)ccc21 95428962 FSXRBLDVWYZDQH-UHFFFAOYSA-N 298.361 3.737 0 40 CHAB Cc1cc(C)c(Br)c(O[C@H]2CCCCO2)c1 95095450 HCTXHQFDXSVYOK-LBPRGKRZSA-N 285.181 3.971 0 40 CHAB CC[C@@H](C(=O)O)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260624903 WGWYALTUJZERBD-RISCZKNCSA-N 291.391 3.651 0 40 CHAB C[C@@H]1CC2(CCC(=O)CC2)CCN1C(=O)OC(C)(C)C 1083104408 YZPSPDVJIGHRSL-GFCCVEGCSA-N 281.396 3.535 0 40 CHAB Cc1nc(C)c([C@H](C)NC(=O)Nc2cccc(F)c2)s1 48694437 PNPAQJGLTDWPBA-VIFPVBQESA-N 293.367 3.782 0 40 CHAB Fc1ccc(Br)c(SC(F)F)c1 604221854 VZZGBJQNRJWXPW-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB COc1cc(-c2nc3cc(Cl)ccc3o2)ccc1O 21023077 ORDFZWGAKILCGQ-UHFFFAOYSA-N 275.691 3.862 0 40 CHAB CNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 5910012 GTARXTKHPNEIBP-UHFFFAOYSA-N 297.807 3.709 0 40 CHAB Cc1ccc2occ/c(=N\Nc3ccccc3)c2c1 5759123 LGEVMCFFTMWWBP-OBGWFSINSA-N 250.301 3.669 0 40 CHAB COc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 5559031 CCMWSUICZUDZEJ-UHFFFAOYSA-N 288.372 3.557 0 40 CHAB CCCCOCCC(F)(F)C(F)(F)Br 2526351 ZZIBPOHXUWUDEY-UHFFFAOYSA-N 281.087 3.816 0 40 CHAB Fc1ccc(NC(=S)NC2CCCCC2)cc1F 7571427 QLSAAIGPKKXCES-UHFFFAOYSA-N 270.348 3.584 0 40 CHAB CC(C)CC(=O)N1CC(n2c(C(C)C)nc3ccccc32)C1 1888864273 FHMJSDZTURKVIZ-UHFFFAOYSA-N 299.418 3.589 0 40 CHAB Fc1cc(F)c(F)c(SCCc2ccccn2)c1F 63701 VYYBDENLTYLOPB-UHFFFAOYSA-N 287.281 3.973 0 40 CHAB C[C@H](NC(=O)Nc1cccnc1)c1ccc(Cl)s1 40086411 CJSJKFNTLAWDLA-QMMMGPOBSA-N 281.768 3.679 0 40 CHAB O=C(Nc1cccc(CN2CCCC2)c1)c1ccccc1F 40086932 QKJPHKPKAOEOJZ-UHFFFAOYSA-N 298.361 3.674 0 40 CHAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 36435370 BTJAMNAHNRTYMZ-GHMZBOCLSA-N 298.789 3.538 0 40 CHAB COc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1 3124519 MIAUCQRMTJWYDT-UHFFFAOYSA-N 283.371 3.746 0 40 CHAB CCCOc1cccc(CNc2ccc3c(c2)OCCO3)c1 32182694 HJOWZZRXWHCBLU-UHFFFAOYSA-N 299.370 3.859 0 40 CHAB Cc1noc(-c2cc3cc(Br)ccc3o2)n1 32925258 YLEQWQUBAFLSPT-UHFFFAOYSA-N 279.093 3.554 0 40 CHAB O=C(O)c1cccc(NCc2c(F)cccc2Cl)c1 505471 KWKIPNMZGMOLII-UHFFFAOYSA-N 279.698 3.789 0 40 CHAB CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1 12223424 FSKXXIPGSQGHDH-UHFFFAOYSA-N 251.757 3.745 0 40 CHAB CC(C)c1nc(CCNc2ccc(C(F)(F)F)cc2)n[nH]1 62719332 SFLFGWYIGZRNIV-UHFFFAOYSA-N 298.312 3.602 0 40 CHAB Cc1cccc(-c2noc(-c3ccnc(Cl)c3)n2)c1 22120422 CZKNVZOHOAXLDV-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB CCc1ccc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 28875092 IFTGPQGROJABMB-LSDHHAIUSA-N 296.414 3.927 0 40 CHAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(C)o2)cc1 48345218 XIPQRBZHTKVCJH-CQSZACIVSA-N 299.370 3.737 0 40 CHAB C[C@H](Oc1ccc(C(N)=O)cc1)c1ccccc1Cl 12819970 FDIJOSXDOXALMI-JTQLQIEISA-N 275.735 3.579 0 40 CHAB Cc1cccc(NC(=O)N[C@H](C)c2cccnc2)c1C 13744307 RZKOWEZKHSVKKN-CYBMUJFWSA-N 269.348 3.581 0 40 CHAB CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4363222 MQCKIWHLRVCIAY-BJJXKVORSA-N 271.404 3.903 0 40 CHAB Cc1ccc2cccc(NC(=O)COc3ccccc3)c2n1 4413189 WHLQOBJFQGDYFK-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB CSc1ccccc1NC(=O)c1cccc(C)c1 5443596 LIVYZUZBJHNTOR-UHFFFAOYSA-N 257.358 3.969 0 40 CHAB C[C@@H]1CN(c2ccnc3cc(Cl)ccc23)C[C@@H](C)O1 6561444 KRWMDOOKRDVCKN-GHMZBOCLSA-N 276.767 3.502 0 40 CHAB CCCn1c(CN2CCC(C)CC2)nc2ccccc21 4911005 ODLRBDPCKJOSDM-UHFFFAOYSA-N 271.408 3.678 0 40 CHAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccco1 9053752 QKNHOQMPNNQYDH-CQSZACIVSA-N 275.735 3.814 0 40 CHAB Cc1noc(C)c1NC(=O)N[C@H](C)c1ccccc1Cl 71799536 HJKZMQIYLPBZTL-MRVPVSSYSA-N 293.754 3.828 0 40 CHAB C[C@H](NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)c1ccccn1 97010340 BYNYSWRJGOMANI-JKIFEVAISA-N 295.386 3.545 0 40 CHAB COc1ccc(-c2nc(Cl)nn2-c2ccccc2)cc1 22125644 QQRYRMHDYAUEIE-UHFFFAOYSA-N 285.734 3.596 0 40 CHAB C[C@@H](NCCc1ccccc1)c1cccnc1Cl 95419228 KLNUOYPEVWTLGB-GFCCVEGCSA-N 260.768 3.628 0 40 CHAB Nc1ccc(Nc2cccc3c(O)cccc23)c(C(=O)O)c1 408712602 AQBOLSKBQJRDFT-UHFFFAOYSA-N 294.310 3.569 0 40 CHAB O=C(CCc1ccccc1F)Nc1c(F)cccc1F 60517960 NRUFPPFSVQKKDO-UHFFFAOYSA-N 279.261 3.675 0 40 CHAB C[C@H](Cc1nc2ccccc2s1)Sc1nncs1 79344948 XMKKIVDTZGFYLX-MRVPVSSYSA-N 293.442 3.871 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 38754475 OLKIPIBLUHKJLB-HNNXBMFYSA-N 291.297 3.761 0 40 CHAB CCCCN1CCC[C@H]1c1cccnc1NC1CC1 72213724 RDIAZRXASJIBCR-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB CCOC(=O)Cc1ccc(-c2ccccc2F)cc1 77032088 LLFIDXLQIIWNDE-UHFFFAOYSA-N 258.292 3.598 0 40 CHAB Cc1ccc(NC2=CC(=O)N(c3ccccc3)C2)cc1C 217441242 OQQMIOMGZLKSAL-UHFFFAOYSA-N 278.355 3.646 0 40 CHAB CC[C@H](C(=O)O)N(CC)c1cccc(Cl)c1Cl 224993834 UCQGTUYFERRVJF-SECBINFHSA-N 276.163 3.683 0 40 CHAB COc1ccc(OC)c(Cc2nc3cc(C)ccc3o2)c1 228948213 UMHRUKIFIOXNLQ-UHFFFAOYSA-N 283.327 3.744 0 40 CHAB CCOC(=O)c1nc(-c2ccc(Cl)cc2)sc1C 135083354 NYVSAPPGVDSYCG-UHFFFAOYSA-N 281.764 3.949 0 40 CHAB CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 44840467 LIGXFOPTHCKDCQ-UHFFFAOYSA-N 292.231 3.753 0 40 CHAB CCCN(c1ccc(C(C)C)cc1)[C@@H](CC)C(=O)O 224986029 QVARJNBDDPOUHL-HNNXBMFYSA-N 263.381 3.890 0 40 CHAB CC(C)[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 225211191 ZKHITRSMXPUVRD-ZIAGYGMSSA-N 285.387 3.768 0 40 CHAB Cc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)c(C)c1 225024842 BCLPCYKPZDBVBB-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB FC(F)COc1ccc(/C=C/c2ccccc2)nc1 256054577 WWIFIENJPLNYPF-VOTSOKGWSA-N 261.271 3.896 0 40 CHAB CC(=O)c1ccccc1N1CCc2[nH]c3ccccc3c2C1 256053899 UBZUATFIDLUAOP-UHFFFAOYSA-N 290.366 3.933 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccc(Cl)c(C)c2)c1 95916510 VXZLWXLTQKJAPE-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB C[C@H](NC(=S)Nc1cccc(F)c1)c1ccccc1 13786781 ZTASRMDJBKDNCA-NSHDSACASA-N 274.364 3.873 0 40 CHAB C[C@@H]1CCC[C@@H](N2CCN(Cc3ccc(F)cc3)CC2)C1 19842481 ZURHLWABVSCWRZ-CRAIPNDOSA-N 290.426 3.522 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 8551557 CBMYJHIOYJEBSB-XCBYOTJYSA-N 292.463 3.751 0 40 CHAB endogenous,in-man O=C(Nc1cccc(C(F)(F)F)c1)C1[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 100065664 SAILSUJYPAJUGC-PNZRWIHMSA-N 295.304 3.936 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1 445572 CBIWCWVBAUMLIK-UHFFFAOYSA-N 278.315 3.582 0 40 CHAB CCc1nnc2c3c(-c4ccc(C)cc4)csc3ncn12 4131247 RDHDNXBKSYZUIT-UHFFFAOYSA-N 294.383 3.877 0 40 CHAB Cn1cc(NC(=O)NCc2ccccc2)c2ccccc21 5265698 RSQQUPHHXIFASN-UHFFFAOYSA-N 279.343 3.500 0 40 CHAB O=C(NCC1(c2cccs2)CC1)c1ccccc1Cl 22680181 UKMNTCMLARRJNX-UHFFFAOYSA-N 291.803 3.863 0 40 CHAB O=C(CCN1CCc2ccccc2C1)c1ccc(Cl)cc1 19681109 UJRCWMNNXUJQGU-UHFFFAOYSA-N 299.801 3.971 0 40 CHAB CN(C)Cc1ccccc1Sc1ccc(O)cc1 347788 BJOPZPFZQQKACQ-UHFFFAOYSA-N 259.374 3.605 0 40 CHAB CCC[C@@H]1[C@@H](c2ccco2)N[C@H](c2ccco2)C[C@@]1(C)O 544421 KRWCRLSHEPHBQC-OSRSDYAFSA-N 289.375 3.816 0 40 CHAB Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1 156883 CHQHHRQLPYTJCI-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB Cc1cccc(C2=NC(=C3CCCCC3)C(=O)O2)c1 1608153 KSHRUDBRYLJHKD-UHFFFAOYSA-N 255.317 3.517 0 40 CHAB CCOP(=O)(OCC)OCc1cccc(C)c1 1608548 RKOTXEBTOFHCTO-UHFFFAOYSA-N 258.254 3.693 0 40 CHAB CC[C@@H](C)OC(=O)Nc1cccc(OC(=O)NC(C)C)c1 1756430 ZAUINTVZQQDXEH-LLVKDONJSA-N 294.351 3.530 0 40 CHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1cccc(Cl)c1 6188371 ITEZPZKDXKJBCG-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 310281 DDWCIMFLYSGGQV-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622133 XDXDJAXHDDOQMU-UHFFFAOYSA-N 293.326 3.752 0 40 CHAB CN(Cc1csc(Nc2ccccc2)n1)CC1CC1 52128104 XAQDYJPEUYUDOZ-UHFFFAOYSA-N 273.405 3.729 0 40 CHAB Cc1ccc(CCC(=O)N[C@H]2CCc3ccccc32)cc1 32850832 OIVIZWBCKGZXKD-SFHVURJKSA-N 279.383 3.731 0 40 CHAB Cc1cccc(C(=O)NC[C@H](C)N(C)c2ccccc2)c1C 32931193 NOQOBYCKUHKMRW-HNNXBMFYSA-N 296.414 3.558 0 40 CHAB Cc1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1 26019857 BFQQDDJIZURDDX-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB COCc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 25335731 PKHLYERNKWDOOS-UHFFFAOYSA-N 293.725 3.878 0 40 CHAB CCC(CC)c1nnc(NC(=O)c2ccccc2)s1 804629 HBFDCDMTJROYIK-UHFFFAOYSA-N 275.377 3.694 0 40 CHAB Cc1n[nH]c(C)c1NC(=O)c1ccc(-c2ccccc2F)o1 60869406 SUWDBGVOYRKHJF-UHFFFAOYSA-N 299.305 3.678 0 40 CHAB Cc1cccc(-c2nnc([C@@H](C)N3CCC[C@@H](C)C3)o2)c1 105679282 CRUFHUTXHPBMPW-ZIAGYGMSSA-N 285.391 3.838 0 40 CHAB Cc1nc(-c2ccc(-c3ccccc3)nc2Cl)no1 43828106 HNFXGBWWRJNJRC-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB O[C@@H](c1ccccc1)c1cccc(Br)c1 1727248 QAJARQNJEMLYCX-ZDUSSCGKSA-N 263.134 3.531 0 40 CHAB COC(=O)c1ccccc1OCc1ccc(Cl)cc1 3182813 GCSGESIMIISVRA-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB CC(=O)NCC[C@@H]1[C@H](c2c(C)n(C)c3ccccc23)C1(C)C 2109178 BGICSBMBQSLWQY-CRAIPNDOSA-N 298.430 3.753 0 40 CHAB biogenic Cc1cccc(CC(=O)Nc2ccc(F)c(Cl)c2)c1 8382867 LOUSZSCSEITUJU-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB C[C@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1 13014398 WVIUUVAXAYAEKK-JTQLQIEISA-N 275.735 3.537 0 40 CHAB COc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1 13140849 YEUNPDBTTQHAIH-UHFFFAOYSA-N 299.351 3.897 0 40 CHAB COc1ccc(-n2c(=S)[nH]c3ccccc32)cc1 13140531 WMEZOZSFUBAVPB-UHFFFAOYSA-N 256.330 3.697 0 40 CHAB Cc1cccc(CSc2nnc(N3CCCC3)s2)c1 64656600 JGNMEFACKNTGAC-UHFFFAOYSA-N 291.445 3.739 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccc(C)cc2)cc1 13788566 FBQJGNBECRZNGU-UHFFFAOYSA-N 270.401 3.790 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2ccccc2F)cc1 20457326 VCMUEEJLYKMWIK-LBPRGKRZSA-N 257.308 3.625 0 40 CHAB O=C(Nc1ccccc1)[C@H]1COc2ccc(Cl)cc2C1 14180189 KFRPEFAYINXSSX-GFCCVEGCSA-N 287.746 3.530 0 40 CHAB CC(=O)Nc1ccc(CN[C@H](C)c2ccccc2C)cc1 14168490 DRIPMRJSCSTJNN-CQSZACIVSA-N 282.387 3.804 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1F 20038426 ULKWRGNTDKSVKV-OAHLLOKOSA-N 291.297 3.761 0 40 CHAB Cc1ccccc1NC(=O)CCC(=O)c1ccccc1 6507727 FLVTXTUTUDXYMR-UHFFFAOYSA-N 267.328 3.597 0 40 CHAB CNCCO[C@@]1(c2ccccc2C)CCCC[C@H]1C 4655646 PGWSTYAZLHDNFQ-WBVHZDCISA-N 261.409 3.636 0 40 CHAB Fc1ccc(C(=S)NCc2ccc(Cl)cc2)cc1 408576881 YIPRTQMNSGWUKT-UHFFFAOYSA-N 279.767 3.944 0 40 CHAB CCOc1cc(CN[C@H](C)c2sccc2C)ccn1 95420325 JHNZYCWMJRDGGL-GFCCVEGCSA-N 276.405 3.701 0 40 CHAB CN(C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C1CC1 77443480 AHFHVJDZXJXNGX-UHFFFAOYSA-N 292.427 3.562 0 40 CHAB CC(=O)Nc1cccc(-c2cccc3[nH]ccc23)c1 67771646 PHYVOOSBCHEVSO-UHFFFAOYSA-N 250.301 3.793 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 32609779 RVLAOXCOKUCKTD-ZDUSSCGKSA-N 299.370 3.585 0 40 CHAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCN1C(C)C 72219280 PUKHKJFUFFNVJN-QGZVFWFLSA-N 287.451 3.926 0 40 CHAB O=C(Nc1ccnc(Oc2ccccc2)c1)c1ccncc1 74076301 AXGZWEYCTAYFPL-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB CC(C)(C)c1ccc(N2CCN[C@@H]3CCCC[C@H]32)cc1 218837501 FAEJKDIDUFPESY-IAGOWNOFSA-N 272.436 3.705 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)C(C)C)cc1 78362289 AAHXIVSBFMIWGN-CHWSQXEVSA-N 265.422 3.636 0 40 CHAB CCc1cc(Br)cc(C)c1NC(=O)C1CC1 226098315 XZJATNCGHWHEOL-UHFFFAOYSA-N 282.181 3.668 0 40 CHAB CCOc1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 225320687 DXWTYNKMKSHAOL-JMSVASOKSA-N 290.432 3.560 0 40 CHAB C[Si](C)(c1ccccc1)C1Cc2ccccc2C1 195805432 FWPKHXIWGRIOHW-UHFFFAOYSA-N 252.433 3.771 0 40 CHAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)C1CC1 225382213 YDMSTIFPAMCFNX-HNNXBMFYSA-N 285.387 3.739 0 40 CHAB CCc1c(-c2cccc(F)c2)nn(Cc2ccccc2)c1N 199749877 JAKQFZYISDWCCQ-UHFFFAOYSA-N 295.361 3.882 0 40 CHAB Cc1cc(O)cc2c1[C@@H]1CC[C@@]3(C)[C@@H](O)CC[C@@H]3[C@@H]1CC2 85626592 YFECXKBRYLRUTI-ZQOJQMTGSA-N 286.415 3.918 0 40 CHAB CCCCn1c(CCC(C)C)ccc1C(=O)OC 226024982 JDYCGMPJWXWSLB-UHFFFAOYSA-N 251.370 3.663 0 40 CHAB O=C(Cc1cccs1)c1sccc1Br 82613994 HGZXDHGNFWSCJP-UHFFFAOYSA-N 287.203 3.998 0 40 CHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccs1 253473838 ZCQQAZFFVRQALC-NSHDSACASA-N 285.368 3.855 0 40 CHAB COc1cc(C(F)(F)F)ccc1-c1cnoc1C 649440262 CKFLWIWWKYWYBC-UHFFFAOYSA-N 257.211 3.677 0 40 CHAB Cc1cc(CSCc2nccn2Cc2ccccc2)no1 72701906 FPAVWUOZSLCABF-UHFFFAOYSA-N 299.399 3.661 0 40 CHAB Nc1ccc(SC(F)(F)C(F)(F)F)c(F)c1 91252555 UAQVYSFLZDASRB-UHFFFAOYSA-N 261.190 3.655 0 40 CHAB C[C@@]12CCC3=C(CCc4cc(O)ccc43)[C@@H]1CCC2=O 5066708 OUGSRCWSHMWPQE-FUHWJXTLSA-N 268.356 3.871 0 40 CHAB c1ccc2sc(SC[C@@H]3CCCO3)nc2c1 5778126 XVFIIGMKKKQYFN-VIFPVBQESA-N 251.376 3.567 0 40 CHAB COc1cc(OC)c2c(c1C)O[C@H](c1ccccc1)CC2=O 13334949 RIEGMKITKZWJHR-HNNXBMFYSA-N 298.338 3.719 0 40 CHAB Cc1ccc(NCc2nc3ccccc3nc2C)cc1 16293215 BQYIELYCCCTABG-UHFFFAOYSA-N 263.344 3.859 0 40 CHAB Cc1ccc2[nH]c(=O)n(-c3ccc(C(F)(F)F)cc3)c2c1 258070566 MFUFPBCBPLCSLO-UHFFFAOYSA-N 292.260 3.646 0 40 CHAB COc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008976 UBVPMLUQEIQLQG-HOTGVXAUSA-N 297.398 3.799 0 40 CHAB Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1C 40103560 FGWAFLGSGJQXJO-GXFFZTMASA-N 264.344 3.834 0 40 CHAB COc1ccc(Cl)cc1CNCCc1ccc(F)cc1 22076430 CMMWGALIYNONJL-UHFFFAOYSA-N 293.769 3.820 0 40 CHAB CC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 299217 LZQWBBCCVQWFEA-UHFFFAOYSA-N 292.338 3.552 0 40 CHAB CCCc1cc2c(cc1NC(=O)c1ccccc1C)OCO2 381995 NZURDJWFOKUAKA-UHFFFAOYSA-N 297.354 3.929 0 40 CHAB CC(=O)c1ccc2c(c1)[nH]c1cc(C(C)=O)ccc12 2491173 SQUIQGVJHNIORQ-UHFFFAOYSA-N 251.285 3.726 0 40 CHAB biogenic O=c1c(-c2ccccc2)c(O)[nH]c2cc(Cl)ccc12 5910 RDXQSWLUXKUQSI-UHFFFAOYSA-N 271.703 3.554 0 40 CHAB c1ccc(CSc2nc3ccccc3n3cnnc23)cc1 1388149 FKZQAJVMFHPXJU-UHFFFAOYSA-N 292.367 3.570 0 40 CHAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccccc1 24865596 WCDYXIHWNKWSFL-UHFFFAOYSA-N 294.329 3.612 0 40 CHAB CC[C@@H](C)Sc1nnc(-c2cc(OC)cc(OC)c2)o1 78836538 GILVHTUITCTWNS-SECBINFHSA-N 294.376 3.644 0 40 CHAB OC1[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 1273298 USAKVYHRWZXKIZ-SWJQRLJCSA-N 293.410 3.849 0 40 CHAB CCN(CC)CC[C@@H](C)[C@H](Cc1cccs1)OC(C)=O 1671239 YBCGCYGNOGTANZ-CJNGLKHVSA-N 297.464 3.590 0 40 CHAB C[C@@H](CNC1CCCCC1)OC(=O)Nc1ccccc1 1710476 LQMYFVIMZYVTHD-ZDUSSCGKSA-N 276.380 3.546 0 40 CHAB CCOc1ccc(C(=O)O)cc1/C=N/c1cccc(C)c1 6963881 ZROQICLLFANSEZ-WOJGMQOQSA-N 283.327 3.843 0 40 CHAB CCOc1ccc(Br)cc1CNC(C)(C)C 7519225 FWZKHPJBMVZJMJ-UHFFFAOYSA-N 286.213 3.736 0 40 CHAB Fc1ccccc1CCNc1ncnc2cccc(F)c12 108199553 QTRLWCBVULAJMN-UHFFFAOYSA-N 285.297 3.563 0 40 CHAB COc1ccccc1N[C@@H](C)c1nc(-c2ccco2)no1 27058321 VVWAPNHPARYUNR-JTQLQIEISA-N 285.303 3.511 0 40 CHAB CCOc1ccc(Br)cc1CN[C@@H](C)CC 8326685 NIFRYWJSKNMIJW-JTQLQIEISA-N 286.213 3.736 0 40 CHAB Cc1sc(Oc2ccccc2Cl)nc1C(=O)O 72323933 MULYPOXYUIOYEM-UHFFFAOYSA-N 269.709 3.595 0 40 CHAB Fc1ccccc1NC(=S)NC[C@H]1C[C@@H]2CC[C@@H]1C2 100991260 HOYMWKCTNPPLKR-IJLUTSLNSA-N 278.396 3.548 0 40 CHAB O=C(O)c1occc1COc1cccc2ccccc12 37333235 ZSOATTIWYOWROR-UHFFFAOYSA-N 268.268 3.710 0 40 CHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccco1 6123969 MXTVLPWARMWKHL-SNVBAGLBSA-N 295.791 3.730 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 5679860 IZDRWFGVOFOCGH-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB CC(C)C[C@H](NC(=O)c1ccco1)c1nc2ccccc2[nH]1 5643770 QCEUWSMXJLAVQA-AWEZNQCLSA-N 297.358 3.673 0 40 CHAB CC[C@@H]1CCCCN1c1nc2cc(C)nn2c2ccccc12 7813486 CBRGTEVVSMGETM-CQSZACIVSA-N 294.402 3.960 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)Cc1ccc(Cl)cc1 16990990 KBTXXJXEXLKFJD-TXEJJXNPSA-N 265.784 3.672 0 40 CHAB C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 69378452 HYVYTRFOOREVKP-KBPBESRZSA-N 282.387 3.509 0 40 CHAB C[C@@H]1CCc2sc(C(=O)N[C@H](C)c3ccco3)cc2C1 8360194 ZNRNASUMBNXLDF-GHMZBOCLSA-N 289.400 3.957 0 40 CHAB CCOc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1 68748980 RIPJZGQWWKLGMN-UHFFFAOYSA-N 261.365 3.706 0 40 CHAB CC(=O)c1ccc(NC(=O)c2cccc3ncccc23)cc1 8772628 OGAMDXHZCAVTJZ-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB Cc1ccc(NC(=O)c2ccccc2NC(=O)C2CC2)cc1 8849003 SSQSRUBFQHRGFG-UHFFFAOYSA-N 294.354 3.596 0 40 CHAB N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 19429615 PNSYMFALJUIRBH-LBPRGKRZSA-N 254.358 3.539 0 40 CHAB CC[C@@H]1CC[C@H](C)N1c1ccc(Br)cn1 95458741 FVKRWELDIAYQFM-GXSJLCMTSA-N 269.186 3.611 0 40 CHAB CCc1c(NCc2ccc(F)cc2)cnn1CC(C)C 89280434 JIIUADZSUDFAAX-UHFFFAOYSA-N 275.371 3.853 0 40 CHAB Cc1cc([C@@H](C)NC(=O)c2nccc3ccccc23)c(C)o1 60322210 AINMIYMVIHWQRY-GFCCVEGCSA-N 294.354 3.936 0 40 CHAB CC(C)N1CCCC[C@@H]1c1ccc(NC2CC2)nc1 72213798 PTTNMSQWJDHPPA-OAHLLOKOSA-N 259.397 3.591 0 40 CHAB CCN1CCC[C@H]1c1cccnc1SC(C)C 72217533 KUJSNLZMMNYOPE-ZDUSSCGKSA-N 250.411 3.739 0 40 CHAB O=C(CCc1ccsc1)Nc1ccc2[nH]ccc2c1 79043160 MMPANUWBWUXPNV-UHFFFAOYSA-N 270.357 3.801 0 40 CHAB CC1(C)CCc2c(c3ccccc3c3nc[nH]c23)O1 71404307 VBZMEHNTFOKKEO-UHFFFAOYSA-N 252.317 3.820 0 40 CHAB biogenic,in-vitro Clc1cccc(-c2nnc(Br)s2)c1 71051216 UJPVVENRZHVPBI-UHFFFAOYSA-N 275.558 3.621 0 40 CHAB C[C@H]1CCC[C@@H](N2CCN(C[C@@H]3CC=CCC3)CC2)C1 224087134 PRIBEPJSCZVEBS-RCCFBDPRSA-N 276.468 3.539 0 40 CHAB Cc1ccc2sc(NC[C@@H]3CCCO3)nc2c1C 42379423 OQYRNVJYGQELRD-NSHDSACASA-N 262.378 3.504 0 40 CHAB c1ccc2sc(-c3ccc(-n4cnnc4)cc3)nc2c1 45920431 PIPDXBONNKAHIU-UHFFFAOYSA-N 278.340 3.544 0 40 CHAB Cc1cccc(C)c1NC(=O)[C@H]1Cc2ccccc2S1 84219726 GVXADKLAGHGDTE-OAHLLOKOSA-N 283.396 3.959 0 40 CHAB Cc1nc(C2CC2)oc1C(=O)N1CCC2(CCCC2)CC1 95940221 MYKGTFQVJAFMIO-UHFFFAOYSA-N 288.391 3.657 0 40 CHAB CC/C=C\C[C@H](O)/C=C/C=C\CCCCCC(=O)O 83314730 QJPYYKBUOWXTMJ-FYXZBIJLSA-N 266.381 3.851 0 40 CHAB CC[C@@H](C(=O)O)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260612852 BOOZSCLMPFIFAK-OCCSQVGLSA-N 275.392 3.950 0 40 CHAB CC[C@@H](C(=O)O)N1c2c(C)cccc2[C@H](C)CC1(C)C 260612769 BBALXHGTEGPXIW-OCCSQVGLSA-N 275.392 3.950 0 40 CHAB CCN(CC)C(=O)[C@H](C)Sc1ccc(Cl)cc1 46869935 ZSGCELXVWONVGY-JTQLQIEISA-N 271.813 3.689 0 40 CHAB COc1ccc(NCc2cc(Cl)c(O)c(OC)c2)cc1 76273811 ZLVHIQFFMNYATA-UHFFFAOYSA-N 293.750 3.675 0 40 CHAB Cc1nnc(N2CCC(c3c[nH]c4ccccc34)CC2)s1 77487295 PRYBMOXIRCQCMK-UHFFFAOYSA-N 298.415 3.712 0 40 CHAB COC(=O)Cc1ccccc1-c1ccc(Cl)cc1 98181784 IVDHUVDWPPXUBN-UHFFFAOYSA-N 260.720 3.723 0 40 CHAB in-vitro COc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 13710238 ADOMUZJQBZTSNL-CQSZACIVSA-N 299.370 3.718 0 40 CHAB Cc1ccc2c(C)c(C(=O)N[C@H](C)c3ccncc3)oc2c1 19217996 ZFQCXHLASPJQDK-CYBMUJFWSA-N 294.354 3.936 0 40 CHAB Cc1cccc(C)c1/C=C/S(=O)(=O)c1ccccc1 1725429 UDNISBFLONWFHY-VAWYXSNFSA-N 272.369 3.748 0 40 CHAB COc1cc(/C=C2\C=Nc3ccccc32)ccc1O 1735911 KKINKORVJXAKLU-XYOKQWHBSA-N 251.285 3.657 0 40 CHAB O=C(NCC1(c2ccc(F)cc2)CC1)C1CCCCC1 11899743 PUKCTOWOKUNFFL-UHFFFAOYSA-N 275.367 3.554 0 40 CHAB O=C(Cc1ccccc1Cl)Nc1ccccc1F 5578049 ZPVBWDIMFBJIGO-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB CCC(=O)Nc1nc2ccc3nc(C)sc3c2s1 4031612 RCLVMXFRPRHIAC-UHFFFAOYSA-N 277.374 3.563 0 40 CHAB CC(=O)Nc1nc2c(cc3c4c(cccc42)CC3)s1 4176247 OSFJILTYLQRWLF-UHFFFAOYSA-N 268.341 3.507 0 40 CHAB CC(C)C(=O)Nc1ccccc1OCCc1ccccc1 40090789 SNPZKADSBAPSKH-UHFFFAOYSA-N 283.371 3.903 0 40 CHAB CSc1ccccc1NC(=O)N1CCC[C@H](C)C1 40526191 NMOCMNJWQZQRJR-NSHDSACASA-N 264.394 3.672 0 40 CHAB C[C@H]1CN(C(=O)Nc2ccccc2C(C)(C)C)C[C@H](C)O1 40526143 KLEUMUXOVZYXAB-STQMWFEESA-N 290.407 3.625 0 40 CHAB Cc1ccc([C@H](O)c2coc3ccc(O)cc23)cc1 491338 KWSRPOMWDPYWQN-INIZCTEOSA-N 254.285 3.529 0 40 CHAB biogenic CCc1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1 21796596 HATUYUDKFSELBG-UHFFFAOYSA-N 291.354 3.687 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)OCO3)c(C)c1 568340 FUYYLEVIPRJGGJ-UHFFFAOYSA-N 283.327 3.593 0 40 CHAB O=C(COc1ccc2ccccc2c1)NC1CCCCC1 586812 GXTIZAYVAIUILD-UHFFFAOYSA-N 283.371 3.668 0 40 CHAB CC[C@@H](C)c1ccc(OCCC2CCNCC2)cc1 42773207 ZLCKKPQVNHWYOH-CQSZACIVSA-N 261.409 3.969 0 40 CHAB Cc1ccc(Cl)cc1-c1[nH]c(C=O)nc1Br 1857794825 LWEVWPAMZJGNPR-UHFFFAOYSA-N 299.555 3.614 0 40 CHAB O=C(c1ccco1)N1CCCc2cc(C(F)(F)F)ccc21 24466735 NNAKOUQMOICVMN-UHFFFAOYSA-N 295.260 3.891 0 40 CHAB O=C(c1ccccc1F)c1ccnc2ccccc12 83312867 ACXTZURTCYZQCE-UHFFFAOYSA-N 251.260 3.605 0 40 CHAB O=C(c1ccc(Cl)cc1)C(F)(F)C(F)(F)F 2559564 SVCOUMOZVHFUSG-UHFFFAOYSA-N 258.573 3.720 0 40 CHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)s1 3264897 HPWKVARFBPPDNZ-UHFFFAOYSA-N 298.820 3.989 0 40 CHAB Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1cccc(O)c1)N2 4458719 VPJFTEQCWLPCDE-SFHVURJKSA-N 291.354 3.845 0 40 CHAB CCCNc1ncnc2sc3c(c12)CC[C@@H](C)C3 1776836 PKLQOTSIBDNDHW-SECBINFHSA-N 261.394 3.638 0 40 CHAB CCCCCNC(=O)c1ccc(N2CCCCC2)cc1 7504928 WOMKXSPMLSBROP-UHFFFAOYSA-N 274.408 3.597 0 40 CHAB COCc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 7941009 AAZVUYJLEODNHL-UHFFFAOYSA-N 275.735 3.739 0 40 CHAB C[C@@]12CC[C@H]3c4ccccc4CC[C@@H]3[C@@H]1CC[C@@H]2O 8613444 MUENRDYXOADTOC-KFGODFMUSA-N 256.389 3.904 0 40 CHAB CCCNCc1cc(Cl)c(OCC)c(Cl)c1 2181833 GEJFQSXDLGEVCO-UHFFFAOYSA-N 262.180 3.892 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1ccc2ccccc2n1 58323471 HEBOIFONFYWQNY-GFCCVEGCSA-N 252.317 3.530 0 40 CHAB Cc1cc(O)ccc1NC(=O)C(C)(C)c1ccccc1F 95431730 GCGCZVXFJVOMFL-UHFFFAOYSA-N 287.334 3.756 0 40 CHAB C[C@@H]1CCCC[C@@H]1n1c(-c2cccnc2)n[nH]c1=S 13142543 PUJQPRBCIATNGV-PWSUYJOCSA-N 274.393 3.754 0 40 CHAB O=CN1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 9418863 HCHYRNSAYPDAFQ-MRXNPFEDSA-N 284.746 3.648 0 40 CHAB CC[C@H](C)NC(=O)N[C@@H](CC)c1ccc(C)cc1C 13745630 AOKBCXSLXGRHMD-ZFWWWQNUSA-N 262.397 3.852 0 40 CHAB CC(C)n1cc(NC(=O)c2c(F)cccc2Cl)cn1 66411975 QVUAXZQGKFHJON-UHFFFAOYSA-N 281.718 3.509 0 40 CHAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCC2 7888978 GEUOSGAFFYXHMR-UHFFFAOYSA-N 255.292 3.567 0 40 CHAB O=C(N1CCCCC1)C1(c2ccc(F)cc2)CCCC1 8324374 BJKXXOYQBVJUPG-UHFFFAOYSA-N 275.367 3.650 0 40 CHAB CCSc1nnc(S[C@H](C)c2ccncc2)s1 69740194 LJJFSSMFMGXFRV-MRVPVSSYSA-N 283.447 3.898 0 40 CHAB Cc1ccc2c(c1)[nH]c1c(N3C[C@@H](C)C[C@@H](C)C3)ncnc12 18175865 MJNFFGIXKKHGTG-BETUJISGSA-N 294.402 3.902 0 40 CHAB Cc1ccc(-c2nnc(CO[C@H]3CCC[C@@H](C)C3)o2)o1 521393915 DUIRTUCVOALGLO-PWSUYJOCSA-N 276.336 3.733 0 40 CHAB CCOC(=O)c1cn[nH]c1-c1cc(Cl)ccc1Cl 71980893 GMUSTUUXUAKXMF-UHFFFAOYSA-N 285.130 3.560 0 40 CHAB CC(C)Oc1ccccc1C(=O)N1CCc2ccccc2C1 219731090 UUNXZASMXDYNSN-UHFFFAOYSA-N 295.382 3.672 0 40 CHAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCCN1C(C)C 72218940 WVJUIJABVPSNLQ-KRWDZBQOSA-N 287.451 3.926 0 40 CHAB CCCN(CCC)c1ccc([C@H](N)c2ccccc2)cn1 72225287 QCFIARLMRRHPGJ-GOSISDBHSA-N 283.419 3.756 0 40 CHAB O=CN1CCCC[C@@H]1c1cccnc1Oc1ccccc1 72212232 CLLWRRCCUDCIPT-MRXNPFEDSA-N 282.343 3.557 0 40 CHAB Cc1cc([C@@H](C)O)cnc1N1CCCc2ccccc21 72222872 GNFZMROSJZQJSL-CYBMUJFWSA-N 268.360 3.528 0 40 CHAB O=C(NCc1ccc(F)cc1Cl)c1ccc(F)cc1F 72331686 KIKMXNVFGOEIJQ-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB CSc1ccccc1C(=O)N(C)C1CCCCC1 44839998 BYDHGNCSYPFKSD-UHFFFAOYSA-N 263.406 3.813 0 40 CHAB Cc1ccc(Cc2ccc(C(=O)O)n2C(C)C)cc1 226029726 UICVDKVNCJEGJG-UHFFFAOYSA-N 257.333 3.666 0 40 CHAB Cc1ccc(C(C)C)cc1OCC[C@H]1CCCNC1 42772560 XRQOYFSNOKXGPM-OAHLLOKOSA-N 261.409 3.887 0 40 CHAB CCCCNC(=O)CCc1ccc(Cl)c(Cl)c1 225327848 PGXNDFRJORXMLR-UHFFFAOYSA-N 274.191 3.842 0 40 CHAB c1cc(-c2nc(-c3ccsc3)no2)n(C2CCCC2)n1 330052706 PMEMCLFVSLANPH-UHFFFAOYSA-N 286.360 3.777 0 40 CHAB F[C@H](C(F)(F)F)C(F)(F)COc1ccccc1 96509055 ITMZFCCGDFMNAX-QMMMGPOBSA-N 258.161 3.601 0 40 CHAB CC(C)(C)OC(=O)Nc1nc(-c2ccccc2)ccc1C=O 95096653 MIAGOFPYXDTVLC-UHFFFAOYSA-N 298.342 3.908 0 40 CHAB CCCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1 98069140 GVTVAVKIOQWHEV-INIZCTEOSA-N 296.414 3.926 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C=CC2=O 35566871 XGAZYVFYLADCPH-JJJXKZEHSA-N 286.415 3.655 0 40 CHAB in-vitro C[C@H](CN[C@@H]1COC[C@H]1c1ccc(F)cc1)c1ccccc1 12220739 IRMRYRSUWXGPRO-MDASCCDHSA-N 299.389 3.701 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 13710161 PKOJPRSUIVNTCE-HOTGVXAUSA-N 297.398 3.948 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccc(Cl)cn2)cc1 13837986 BBNIROYHIBEMQD-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB Cc1cc2cc(NC(=O)C[C@@H](C)n3ccnc3)ccc2o1 19126512 YYLNPZBHNAEKJR-LLVKDONJSA-N 283.331 3.528 0 40 CHAB O=C(CC1CCCC1)OCc1ccc(Cl)cc1 3229108 PFBVDIXANOLXQQ-UHFFFAOYSA-N 252.741 3.964 0 40 CHAB Fc1cc(-c2cncc([C@H]3CCCN3)c2)ccc1Cl 906195142 ZQWKMIKJHBFLII-OAHLLOKOSA-N 276.742 3.966 0 40 CHAB COc1ccccc1NC(=S)NCC1CCCCC1 8692014 IPPYBHDRKPOMGK-UHFFFAOYSA-N 278.421 3.562 0 40 CHAB O=C(NCCCOC1CCCCC1)Nc1ccc(F)cc1 18177304 LFFFQQIPAUXZMG-UHFFFAOYSA-N 294.370 3.687 0 40 CHAB CCCSc1nnc(COc2ccc(Cl)cc2)o1 40159157 OAWBBPYEOKVJGO-UHFFFAOYSA-N 284.768 3.804 0 40 CHAB Cc1ccc(-c2cc(C(F)F)c3cnn(C)c3n2)cc1 20603042 WRVNPOALJNFLLI-UHFFFAOYSA-N 273.286 3.881 0 40 CHAB CCC(=O)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 506117 BNPRTNPXUUIMDH-UHFFFAOYSA-N 296.370 3.904 0 40 CHAB Cc1ccc(C(=O)N2CCCc3ccccc32)c(F)c1F 796970 ZVGMHBDEQUVGHD-UHFFFAOYSA-N 287.309 3.866 0 40 CHAB O[C@H]1c2ccccc2-c2cc(Br)ccc21 1580968 GYBYYSKYAJLEJQ-ZDUSSCGKSA-N 261.118 3.511 0 40 CHAB CCCCn1c(C)c(C(=O)OCC)c2cc(O)c(C)cc21 3153819 NWMLRSQJVLOIOY-UHFFFAOYSA-N 289.375 3.941 0 40 CHAB COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)c(C)c1 51355882 MCRJWJBWCUTGOW-UHFFFAOYSA-N 292.285 3.926 0 40 CHAB CC(C)(C)n1cnc2cc(NCc3ccccn3)ccc21 249588 JLHBFYPZVQCAQG-UHFFFAOYSA-N 280.375 3.798 0 40 CHAB CCCN1C(=O)S/C(=C/c2ccccc2OCC)C1=O 6879188 WBPVLVKJKDZEOM-JLHYYAGUSA-N 291.372 3.532 0 40 CHAB O=C(Nc1nccs1)c1ccccc1Cc1ccccc1 7655111 VRALDGSJCNUKGO-UHFFFAOYSA-N 294.379 3.986 0 40 CHAB Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N 11568418 YGYIXXSODUCIOB-ZETCQYMHSA-N 252.770 3.792 0 40 CHAB in-vitro CC1(C)CC(=O)c2c(O)cc(Cc3ccccc3)cc2O1 367565 DNHJPJJXQOKFPE-UHFFFAOYSA-N 282.339 3.727 0 40 CHAB O=C(O)[C@@H]1Sc2ccccc2Oc2ccccc21 347504 ANHXGSCQPJHOKF-CYBMUJFWSA-N 258.298 3.710 0 40 CHAB CC(C)C(=O)c1cc(Br)cc(Cl)c1O 52068487 RSMHCHVGONBNBO-UHFFFAOYSA-N 277.545 3.647 0 40 CHAB Cc1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1 8550100 ZSSYCTZXLZJFQU-UHFFFAOYSA-N 296.399 3.660 0 40 CHAB O=C(C[C@@H]1C=CCC1)N(Cc1ccc(F)cc1)C1CC1 32744778 CXHZYKIALVCNEX-CYBMUJFWSA-N 273.351 3.673 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)nc1 2663492 QGUYZIHVNXPDCY-CQSZACIVSA-N 286.762 3.542 0 40 CHAB CCc1ccccc1NC(=O)Cc1cccc(F)c1 7724070 HCMZFSBPQDVTOC-UHFFFAOYSA-N 257.308 3.569 0 40 CHAB CCC(C)(C)NC(=O)c1ccc(Cl)cc1Cl 2774242 VNRGVATVNYZQJO-UHFFFAOYSA-N 260.164 3.912 0 40 CHAB Cc1ccccc1NC(=O)CCCOc1ccccc1 1748071 UMNAJHGTFOYCEY-UHFFFAOYSA-N 269.344 3.793 0 40 CHAB Cc1cc(CNc2ccccc2N2CCCCC2)no1 57566476 GIMTWESSKBBSBW-UHFFFAOYSA-N 271.364 3.585 0 40 CHAB CCOc1ccccc1OC(=O)c1ccccc1OCC 3363065 IAFOAQDFMNTRRP-UHFFFAOYSA-N 286.327 3.703 0 40 CHAB O=C(NC1CCCCC1)c1cc2c(cn1)[nH]c1ccccc12 2158577 HNJLYLMSNKKCLF-UHFFFAOYSA-N 293.370 3.779 0 40 CHAB biogenic O=C(c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 2236596 PJPSKRATLNFZFM-UHFFFAOYSA-N 262.523 3.721 0 40 CHAB Cc1cc(Cl)ccc1OCCCNC(=O)C1CCCC1 48235978 GPQMCQXLFTXCKX-UHFFFAOYSA-N 295.810 3.724 0 40 CHAB O=C(Cc1cccs1)N[C@@H]1CCSc2ccccc21 12877548 AQTKRIAVWITKGI-CYBMUJFWSA-N 289.425 3.644 0 40 CHAB COc1ccccc1NC(=O)c1cc(C)c(C)s1 12984513 HYRZDTLOWPEYFF-UHFFFAOYSA-N 261.346 3.626 0 40 CHAB COc1cc2c(cc1OC)CN(Cc1ccccc1)CCC2 22050690 FRXHWVJZKYQAJG-UHFFFAOYSA-N 297.398 3.652 0 40 CHAB in-vitro COc1ccc(Cl)cc1CN(C)C(=O)c1ccoc1C 68932987 AXOABULDMLOOPD-UHFFFAOYSA-N 293.750 3.522 0 40 CHAB Cc1nc(-c2c(C)oc3cc(O)c(C)cc3c2=O)cs1 6008841 QYKSBIZYPYAIQF-UHFFFAOYSA-N 287.340 3.547 0 40 CHAB Cc1nc2ccc(NC(=O)NCc3ccccc3)cc2s1 4695411 OCMLQLOOLNQOMP-UHFFFAOYSA-N 297.383 3.926 0 40 CHAB COc1ccc(CC(=O)Nc2c(C)cccc2C)cc1OC 5548771 RBJWVHYSXDYWNX-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Cn1c(CNCCc2ccccc2)cc2ccccc21 6675641 IRHZNZJTWJMSOQ-UHFFFAOYSA-N 264.372 3.511 0 40 CHAB CC(=O)Nc1ccc(CNC[C@H](C)c2ccccc2)cc1 17312459 RWWAFGQFVXJYGT-AWEZNQCLSA-N 282.387 3.538 0 40 CHAB O=C1CS[C@@H](c2ccco2)N1Cc1ccc(Cl)cc1 27754607 KSCSJFWPCLLVRM-AWEZNQCLSA-N 293.775 3.707 0 40 CHAB CCN(c1ccccc1)S(=O)(=O)/C=C/c1ccccc1 7386556 BOERVHMJUOYPBT-BUHFOSPRSA-N 287.384 3.514 0 40 CHAB Cc1nc(NCCc2ccccc2)c2ccccc2n1 70666182 QBGQNIIMQLREEM-UHFFFAOYSA-N 263.344 3.593 0 40 CHAB biogenic Cc1ccc([C@@H]2C[C@H]2c2nc(COC(C)C)no2)s1 95394425 RTHJZTRPLMPESV-GHMZBOCLSA-N 278.377 3.636 0 40 CHAB Cc1cc(C)c2c(Br)cc(C)nc2c1 32099876 CPEXXDIUHQMTLZ-UHFFFAOYSA-N 250.139 3.923 0 40 CHAB Cc1cc(C)c2oc(=O)cc(CN3CCCC[C@@H]3C)c2c1 4340538 VWTDWWJXPHNTEY-AWEZNQCLSA-N 285.387 3.784 0 40 CHAB biogenic Cc1cc([C@H](C)N)cnc1SCc1ccccc1 72222416 RFJVAEALJPNKOO-LBPRGKRZSA-N 258.390 3.702 0 40 CHAB COC(=O)Cc1ccc2c(c1)N(C)c1ccccc1S2 36719684 FWSUIELWTCAOIL-UHFFFAOYSA-N 285.368 3.635 0 40 CHAB Clc1onc2c1CC[C@@H]1[C@@H](CC2)C1(Cl)Cl 219776286 NXZTZPRAJRVZEP-RNFRBKRXSA-N 266.555 3.627 0 40 CHAB O=C(c1cccc(OC(F)(F)F)c1)C1CCCC1 61703304 CGNWUJRIDUUHLP-UHFFFAOYSA-N 258.239 3.958 0 40 CHAB COc1ccccc1C(=O)c1ccc(F)cc1Cl 61845564 DWJDQRUORWLJIB-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CCc1cc(C)n(Cc2ccccc2Cl)c1C(=O)O 78405447 QMOQXZXTMRMPPG-UHFFFAOYSA-N 277.751 3.759 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)CCc2ccccc2)cc1 45174586 UXMXFQSPIFQXPG-OAHLLOKOSA-N 267.372 3.805 0 40 CHAB CC(C)n1cc(-c2ccc(N)c3ccccc23)cn1 85390949 QEFGPECQRAPVEG-UHFFFAOYSA-N 251.333 3.866 0 40 CHAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(F)cc1 45888822 NZKPEENINHAYLH-UHFFFAOYSA-N 272.323 3.531 0 40 CHAB COc1ccc(CC(=O)N(C)Cc2ccc(C)cc2)cc1C 225575928 GNNLCHWHQAIQLC-UHFFFAOYSA-N 297.398 3.513 0 40 CHAB COc1cccc(OC)c1C(=O)N(C)c1ccc(C)c(C)c1 222957695 SZKAQZWBGSQVRW-UHFFFAOYSA-N 299.370 3.597 0 40 CHAB CC(C)(CC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O 43214246 YUICPAZCDYDUFL-UHFFFAOYSA-N 262.349 3.668 0 40 CHAB Cc1nc(C)c(C(=O)N2CCC(=Cc3ccccc3)CC2)o1 89558038 NNTUDKQZYVYWEW-UHFFFAOYSA-N 296.370 3.611 0 40 CHAB CCC1CC(COc2ccc(Br)cn2)C1 95093840 SBKISHYPZOPWAI-UHFFFAOYSA-N 270.170 3.659 0 40 CHAB CC(C)c1ccc(C(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 95634425 XAGDIIWOXPHYBW-LSDHHAIUSA-N 272.344 3.660 0 40 CHAB CSCCC(=O)c1ccc(OC(C)(C)C)cc1 575357514 HTXGMGDFYQVPOT-UHFFFAOYSA-N 252.379 3.800 0 40 CHAB CC[C@@H](O)CCNC(=O)N(c1ccccc1)c1ccccc1 96007759 GFCWTJCKNVVSCS-QGZVFWFLSA-N 298.386 3.695 0 40 CHAB CC(=O)N(C1=C[C@H](C)Nc2ccccc21)c1ccccc1 5739306 ALBFGQWZWQCUFQ-ZDUSSCGKSA-N 278.355 3.895 0 40 CHAB O=C(/C=C/c1ccco1)N[C@@H]1CCSc2ccccc21 5425430 SMVKJYURBBFKIE-HSBSLETESA-N 285.368 3.646 0 40 CHAB CCCCNC(=S)Nc1ccc(F)c(Cl)c1 7559249 MKSCUTAVBFDXCC-UHFFFAOYSA-N 260.765 3.566 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1ccccn1 26186602 CBXPDWNHIGNCKV-KGLIPLIRSA-N 283.375 3.511 0 40 CHAB C[C@H]1CCCCN1C(=O)Nc1ccc(Br)cc1 33620914 QZPQBTXQTXTSRH-JTQLQIEISA-N 297.196 3.855 0 40 CHAB CC(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 30380 XMDMLODKMBTGHR-UHFFFAOYSA-N 289.400 3.752 0 40 CHAB CCOC(=O)CSc1cc(Cl)c2cccc(C)c2n1 31993 SKHVACKYQZOEPU-UHFFFAOYSA-N 295.791 3.852 0 40 CHAB CCC(=O)N[C@H](c1ccc(F)cc1)C(Cl)(Cl)Cl 374313 OPUAHVOWYPKGSK-SNVBAGLBSA-N 298.572 3.763 0 40 CHAB CC(C)(c1ccsc1)c1sccc1C(=O)O 1734676 JKELOSHOLUSVLM-UHFFFAOYSA-N 252.360 3.834 0 40 CHAB O=C(Cc1ccccc1F)Nc1cccc(Cl)c1 3548333 VBVTZLTXAHNGSL-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB COc1ccc(SCC(=O)Nc2ccccc2F)cc1 7129343 PQLDHTQCBVHBDM-UHFFFAOYSA-N 291.347 3.565 0 40 CHAB COc1cccc(NC(=O)c2cc3cccc(OC)c3o2)c1 8960592 AOIMZXFSAGLOBF-UHFFFAOYSA-N 297.310 3.702 0 40 CHAB O=C(c1ccoc1)N1CCC[C@@H]1c1ccc(Cl)cc1 32796223 DVQUGABECCJRRF-CQSZACIVSA-N 275.735 3.910 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1cccc(Cl)c1 102266787 VFIMMPHLIZNSJS-FPMFFAJLSA-N 277.795 3.783 0 40 CHAB CCc1ccc(C(=S)NCc2ccccc2)cc1 9188067 KQWPXNOHQUTUEE-UHFFFAOYSA-N 255.386 3.714 0 40 CHAB C[C@@H](C(=O)Nc1ccccc1F)N1CCCc2ccccc21 21821739 FMVCSTHAEHIWRB-ZDUSSCGKSA-N 298.361 3.606 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108924864 GZLMXKGDLFLCCX-AOLWHUPESA-N 291.822 3.823 0 40 CHAB Cc1cc(F)ccc1[C@H](O)c1ccccc1Br 55203388 UXCREISDCSEFOD-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB CC(=O)c1cccc(NC(=O)N(C)[C@@H](C)C(C)(C)C)c1 41638944 NBMHNGCTUUHNON-LBPRGKRZSA-N 276.380 3.788 0 40 CHAB CC[C@@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@H]32 20113198 WYJAPUKIYAZSEM-RBUKOAKNSA-N 294.398 3.775 0 40 CHAB biogenic,in-vitro Cc1cc(C)cc(NC(=O)c2cc(N)ccc2Cl)c1 20194131 RIMHBTQQUUTBAC-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Cc1ccc(NC(=S)C(=O)c2ccccc2)cc1 68572178 HRYMWXHFTZKJHG-UHFFFAOYSA-N 255.342 3.617 0 40 CHAB Cc1ccccc1C[S@@](=O)Cc1cccc(F)c1 58168085 XOUPWCWZLJMTBP-GOSISDBHSA-N 262.349 3.583 0 40 CHAB Cc1nc(CSc2ncnc3ccccc23)cs1 48354586 HYSWBWOOXXWKBQ-UHFFFAOYSA-N 273.386 3.687 0 40 CHAB Cc1nnc(SCC(=O)c2ccc(C(C)(C)C)cc2)o1 12815289 OGMMVBGDYJVQTR-UHFFFAOYSA-N 290.388 3.651 0 40 CHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1C 3426885 MHEIVZUPCFKWOT-UHFFFAOYSA-N 292.338 3.854 0 40 CHAB Cc1csc(S[C@H](C)C(=O)Nc2ccccc2F)n1 3413738 HBSUOIISMBOTJR-SECBINFHSA-N 296.392 3.710 0 40 CHAB O=C(O)[C@@H]1CCCN1Cc1cccc(Oc2ccccc2)c1 3747830 BXXBAUSDIQDPBH-KRWDZBQOSA-N 297.354 3.528 0 40 CHAB Cc1nn2cc(-c3cccc(Br)c3)nc2s1 4551817 FBXPKBUAFVVZIZ-UHFFFAOYSA-N 294.177 3.529 0 40 CHAB c1csc(-c2nc(C3CCOCC3)cs2)c1 92196761 NFEUWHRXHRBTAT-UHFFFAOYSA-N 251.376 3.766 0 40 CHAB COC(=O)c1ccccc1NC(=O)/C(C)=C/c1ccccc1 5826233 HTVMXIJYSZOPTD-OUKQBFOZSA-N 295.338 3.515 0 40 CHAB Cc1ccc(N)cc1NC(=O)c1cccc(OC(C)C)c1 19736722 MXVYTWICUCYEFW-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB CC[C@](CO)(NCc1ccc(C)c(C)c1)c1ccccc1 72289911 KWNHYEFBWUINRS-LJQANCHMSA-N 283.415 3.691 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)CNc2ccc(C)c(C)c2)c1C 72267322 WJZQMRJVGCOVQU-UHFFFAOYSA-N 298.386 3.746 0 40 CHAB O=C(NCc1ccc(F)cc1)c1cc(F)ccc1Cl 72331785 JVPRCYSOEBSAJM-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB C[C@H](CC[C@H]1CCCO1)NCc1cnc(C2CCC2)s1 95415437 APIFIPSYFVBPMC-TZMCWYRMSA-N 294.464 3.848 0 40 CHAB CCCCNC(=O)CSCc1c(F)cccc1Cl 113932995 HQDCMWQDSPQPKY-UHFFFAOYSA-N 289.803 3.629 0 40 CHAB FC(F)(F)c1cnc(NCc2ccccn2)c(Cl)c1 21789782 JIOFKKUTPMHPLE-UHFFFAOYSA-N 287.672 3.761 0 40 CHAB CC(=O)N1N=C(c2ccccc2C)C[C@H]1c1cccs1 79112131 JDWGXCGYUDPRHD-HNNXBMFYSA-N 284.384 3.754 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1 38754344 OLOTUOHSZGEJBQ-CQSZACIVSA-N 253.345 3.794 0 40 CHAB CN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 408806576 AFEHFCAKJRFRPZ-XFXZXTDPSA-N 275.373 3.650 0 40 CHAB Cc1nc(N)ccc1[C@H]1CCCCN1Cc1ccccc1 72218587 YHXULAKSYBDOCC-QGZVFWFLSA-N 281.403 3.699 0 40 CHAB CC(=O)N1CCC[C@H]1c1cccnc1SC(C)(C)C 72217415 UMCHFHHDJYDSOX-ZDUSSCGKSA-N 278.421 3.656 0 40 CHAB CCOc1cccc(C=O)c1OCc1ccc(F)cc1 36672346 GPIPCGAGOFOHIW-UHFFFAOYSA-N 274.291 3.616 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1c(F)cccc1Cl 37357784 IVDBCHKZJWTATJ-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB COc1nc(C(F)(F)F)ccc1-c1cccc(F)c1 47204814 PXCMXFWFWJKREP-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB CC(C)NC(=O)c1cc(N)ccc1N[C@H](C)c1ccccc1 225458841 DRBCSWIYXWKXKI-CYBMUJFWSA-N 297.402 3.580 0 40 CHAB O=C(O)c1ccc(-c2nc3ccc(F)cc3s2)cc1 45920060 MYVZFNSGIIDHAM-UHFFFAOYSA-N 273.288 3.801 0 40 CHAB O=C(O)c1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@@H]21 229960596 NICOKRPJPBMVCX-AYRXBEOTSA-N 297.398 3.986 0 40 CHAB C[C@H](CNC(=O)CSc1ccccc1)c1ccccc1 49535686 RNQGNWGMXYUARV-CQSZACIVSA-N 285.412 3.699 0 40 CHAB COc1ccc(CCC(=O)Nc2cccc(F)c2)cc1C 225340048 TYOBOGHZGBFQIM-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB Cc1c(Cl)cccc1C[C@H](Oc1ccccc1)C(=O)O 225070123 LNWAERRJGZQOER-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB O=C(C1CC1)N1CCC[C@@H]1c1cccc2ccccc12 48948893 SNTYNEHZSVCDHJ-QGZVFWFLSA-N 265.356 3.913 0 40 CHAB CCC1(COc2ccc(Br)cn2)CCC1 95093845 GFWWWOSEKXYRCM-UHFFFAOYSA-N 270.170 3.803 0 40 CHAB CCO[C@H](C)c1nc(CSC2=NCCS2)cs1 96424802 MBTZOGRXBYCVML-MRVPVSSYSA-N 288.463 3.577 0 40 CHAB C[C@H]1CCN(C(=O)Nc2cccnc2)[C@H](c2ccco2)C1 98015839 KMLYUADHQJJIAU-JSGCOSHPSA-N 285.347 3.680 0 40 CHAB CC(C)CC(=O)c1cc(Br)ccc1F 83256129 JJQXSWZHSKSGGI-UHFFFAOYSA-N 259.118 3.817 0 40 CHAB CC(C)(C)c1ccc(C(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 95634003 FCMRRKGQHMNKGE-LSDHHAIUSA-N 286.371 3.834 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)c(F)c2)c(OC)c1 95916269 IHYWHBLXJMJMDX-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB O=C(O)c1ccccc1-c1ccc(CNc2cccnc2)o1 1602463751 LSCIYLMSWHKJAJ-UHFFFAOYSA-N 294.310 3.652 0 40 CHAB Cc1ccc(C(=O)c2cnc(C)n2Cc2ccccc2)cc1 13281770 MNOMDCGSMFKRSF-UHFFFAOYSA-N 290.366 3.779 0 40 CHAB CCCCCCNC(=O)N1CCC[C@@H]2CCCC[C@H]21 16637959 FUIBNSFIKHECCW-LSDHHAIUSA-N 266.429 3.931 0 40 CHAB CC(=O)c1ccc(NC(=O)/C=C\c2ccccc2)cc1 16990880 FDVFDILGKPNZHV-GHXNOFRVSA-N 265.312 3.541 0 40 CHAB CC(C)CC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1 226351924 IUQWQTFOEDESLB-UHFFFAOYSA-N 287.315 3.629 0 40 CHAB Cc1ccc(-c2nnc(NC(=O)C3CCCCC3)o2)cc1C 10220593 DAPYYUOYVCTZPU-UHFFFAOYSA-N 299.374 3.872 0 40 CHAB Cc1nc2ccccc2nc1N1CCc2sccc2C1 29434912 HZKWXOYAGVCHMM-UHFFFAOYSA-N 281.384 3.562 0 40 CHAB F[C@@H]1CCCN(Cc2ccccc2)[C@H]1C(F)(F)F 953062993 YIJWZMDLGVFHEO-VXGBXAGGSA-N 261.262 3.551 0 40 CHAB Nc1nc2c(Cl)cc(C(F)(F)F)cc2s1 22121862 DFPUGGXCOUAHGD-UHFFFAOYSA-N 252.648 3.551 0 40 CHAB O=C(Nc1ncnc2sccc12)c1cccc(Cl)c1 5299385 BMUKLYPPMCOHTN-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB CC(C)CCOc1ccccc1C(=O)Nc1nccs1 8072443 SNKXXEKFJFDJHM-UHFFFAOYSA-N 290.388 3.820 0 40 CHAB COc1cccc(CC(=O)Nc2ccc(Cl)cc2)c1 3549327 MHHKISSCHMPKFC-UHFFFAOYSA-N 275.735 3.530 0 40 CHAB CN(C(=O)c1cc2sccc2n1C)C1CCCCC1 4411632 AKTYXVQVZJLCEL-UHFFFAOYSA-N 276.405 3.645 0 40 CHAB CC(=O)N1N=C(c2ccc(C)cc2)O[C@@H]1c1ccc(C)cc1 204693 OBEHISVWEGNNJT-GOSISDBHSA-N 294.354 3.543 0 40 CHAB CC(=O)Nc1ccc(OC(=O)Nc2cccc(C)c2)cc1 6550698 PJAGEEXMIBUUOR-UHFFFAOYSA-N 284.315 3.564 0 40 CHAB COCCCNC(=O)c1ccccc1SCC=C(C)C 96420604 YMYWDPABUJBLQJ-UHFFFAOYSA-N 293.432 3.511 0 40 CHAB O=C(Nc1ccccc1)[C@@H]1C[C@H]1Cc1ccccc1 478215 FBUQLYZARVFVHQ-GDBMZVCRSA-N 251.329 3.504 0 40 CHAB CC(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 521326 GCUNJCLKWSKUDI-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB CCCc1nc2scc(-c3cccs3)c2c(=O)o1 536174 NLHKMJLGNMKKLU-UHFFFAOYSA-N 277.370 3.931 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1ccc(F)c(Cl)c1 43210042 KGLCFDLGFGHECH-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 8274614 DIKCRPLWBNDJLD-UHFFFAOYSA-N 289.718 3.629 0 40 CHAB O=C(Nc1ccc(F)cc1)c1c[nH]nc1-c1ccc(F)cc1 10192006 AXUSJQNBJUMYTP-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB CSc1ncccc1C(=O)N[C@@H]1CCCc2ccccc21 3402644 IVDRLEYQEPWDIL-OAHLLOKOSA-N 298.411 3.611 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)o1 16990629 NFMWRTSTDGZMMI-CHWSQXEVSA-N 263.381 3.923 0 40 CHAB Cc1cccc(-n2[nH]c(C)c(CCc3ccccc3)c2=O)c1 13571543 KQSQGKHENUUABA-UHFFFAOYSA-N 292.382 3.568 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6638620 DHZWDLFBFYSLKL-CBAPKCEASA-N 294.326 3.683 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1cc(F)cc(F)c1 7652500 BDLJPDMDBKLRDV-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB CC(C)O[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 9136622 ZSHGLVPEPJARJI-GOSISDBHSA-N 281.355 3.766 0 40 CHAB Cc1cc(Cl)ccc1C(=O)C(F)(F)Br 307254581 YAYRAOZGNNEKAG-UHFFFAOYSA-N 283.499 3.819 0 40 CHAB Clc1ccc(-c2cc3ncn4cnnc4c3s2)cc1 19797087 HBNKQVOLSLSTLA-UHFFFAOYSA-N 286.747 3.659 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N)cc1C 19736378 FQMIDIXJFFUBCH-INIZCTEOSA-N 298.386 3.682 0 40 CHAB CCCOc1cccc(C(=O)Nc2cccc(N)c2C)c1 19736335 NWQQBALPLAHSCH-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB COc1cc(OC)c(NC(=O)[C@H]2CC=CCC2)cc1Cl 9836343 UALWXYCUZFFTPO-JTQLQIEISA-N 295.766 3.652 0 40 CHAB Cc1ccc(CNc2ccn(CCc3ccncc3)n2)s1 95415574 BCMREEUSRCKIGT-UHFFFAOYSA-N 298.415 3.503 0 40 CHAB OCc1cccc(NCc2ncc(-c3cccs3)o2)c1 95464321 ALFIPMKYXWADCE-UHFFFAOYSA-N 286.356 3.508 0 40 CHAB C[C@H](NCC1(Sc2ccccc2)CC1)C1CCOCC1 95967871 MKJHPSDRXLUJLA-AWEZNQCLSA-N 291.460 3.716 0 40 CHAB CC(=O)c1cccc(Oc2ncnc3sccc23)c1 9995923 SVQBPBJXXGDNSA-UHFFFAOYSA-N 270.313 3.686 0 40 CHAB Cc1ccc(CNCC2(N3CCCCC3)CCCCC2)o1 38688833 VAIPFXPHDHXLGL-UHFFFAOYSA-N 290.451 3.866 0 40 CHAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CCC2=O 4691930 GATQSSNSIBFJTG-CUGOLFLRSA-N 290.447 3.959 0 40 CHAB biogenic,in-vitro Cc1nn(C)c2nc(-c3ccccc3)cc(C(F)F)c12 36616419 FFDLDTVUFSNZAL-UHFFFAOYSA-N 273.286 3.881 0 40 CHAB O=C(c1cccc(Cl)c1)c1c(F)cccc1F 70210341 AATYDSPWQXKRTD-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB Cc1nnc(CSCCC(C)(C)C)n1C1CC1 187511896 JOWQMBCTCBNYPE-UHFFFAOYSA-N 253.415 3.591 0 40 CHAB CCc1cc(C)n(Cc2cccc(Cl)c2)c1C(=O)O 78405453 YYWLXFPUCLFXIB-UHFFFAOYSA-N 277.751 3.759 0 40 CHAB CNCCCc1ccc(Cl)c(C(F)(F)F)c1 70453170 LUXUTUOOXPOZPF-UHFFFAOYSA-N 251.679 3.511 0 40 CHAB COc1cccc(CCCNC(=O)c2ccc(C)c(C)c2)c1 225591951 OLQQGISQYRWDAN-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB FC(F)(F)c1cnc(N2CCCCC2)c(Cl)c1 42783525 SYJHATHFKCHDPL-UHFFFAOYSA-N 264.678 3.744 0 40 CHAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccc(F)cc1 225468794 QPPXPDVKTLBRGV-UHFFFAOYSA-N 288.322 3.717 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@H](C)C2)c(Cl)c1 192303396 BYIZQTGMVKOVMP-NSHDSACASA-N 251.757 3.521 0 40 CHAB CCCCN[C@H](CC)c1cc(OC)ccc1OC 222635923 PXPMVKUFUAJCKZ-CQSZACIVSA-N 251.370 3.545 0 40 CHAB Fc1ccc([C@@H]2C[C@@H]2c2nc(-c3ccncc3)no2)c(F)c1 193198342 SKMHHLPWFCRLEH-STQMWFEESA-N 299.280 3.681 0 40 CHAB COCc1nc(CSCc2ccccc2)cs1 96429926 QIVDVLGABBVECS-UHFFFAOYSA-N 265.403 3.723 0 40 CHAB CCN(Cc1ccccn1)[C@H](C)c1ncc(C(C)(C)C)o1 96486771 REBLASZHHJTRLC-CYBMUJFWSA-N 287.407 3.950 0 40 CHAB O=c1c2cc(Cl)c(Cl)cc2ccn1C(F)F 242400327 AULBRISZIANWIS-UHFFFAOYSA-N 264.058 3.703 0 40 CHAB C[C@@]12CC(=O)NC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 257345566 BPIRFNVICIHJMC-WXHDYWNTSA-N 275.436 3.755 0 40 CHAB Fc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 260658782 JUEAGHGVWAPYTJ-MWODSPESSA-N 298.814 3.954 0 40 CHAB COc1ccc(C(=O)C(Cl)(Cl)Cl)c(C)c1 382675927 QUKYYGRIXVGIJG-UHFFFAOYSA-N 267.539 3.557 0 40 CHAB CN(c1ccccn1)c1ccc(Br)cc1F 95915711 KIMBWRFOVKOZDL-UHFFFAOYSA-N 281.128 3.751 0 40 CHAB COc1ccc2[nH]c(C(C)C)c(C(C)C)c(=O)c2c1 685938823 ZSFPXFIFOWATED-UHFFFAOYSA-N 259.349 3.784 0 40 CHAB Brc1cccc2c(N3CCCC3)nccc12 72206993 PLDBQPAZOXCPEY-UHFFFAOYSA-N 277.165 3.598 0 40 CHAB O=C(/C=C/c1ccccc1Cl)NCc1ccc(F)cc1 579344 MZMRVYAMHWELKG-JXMROGBWSA-N 289.737 3.809 0 40 CHAB Sc1nnc(Nc2cccc(Cl)c2Cl)s1 97981 WEDOLFCPURYALV-UHFFFAOYSA-N 278.189 3.877 0 40 CHAB CCN(CC)C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14400716 SVWYCXZHHQCMFJ-GFCCVEGCSA-N 283.799 3.593 0 40 CHAB C[C@@H](Cc1cccs1)NC(=O)[C@H](C)Cc1cccs1 19457189 GIJPQIYAWLFOTE-NEPJUHHUSA-N 293.457 3.736 0 40 CHAB Cc1c(CC(=O)O)c(-c2ccccc2)nc2ccccc12 19413850 WQIZOXJRLQMLQL-UHFFFAOYSA-N 277.323 3.837 0 40 CHAB in-vitro CCOc1ccc(OCC)c(NC(=O)c2cccs2)c1 9314229 CGBYHUJHSKUBIY-UHFFFAOYSA-N 291.372 3.798 0 40 CHAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1cccs1 4264229 DNJJQSXZXZTVOO-UHFFFAOYSA-N 296.323 3.888 0 40 CHAB Cc1cc2cc(NC(=O)/C=C/c3ccco3)ccc2[nH]1 40081308 UYWWFJSEOMYYNW-FNORWQNLSA-N 266.300 3.721 0 40 CHAB Clc1ccccc1CNc1ncnc2ccccc12 109575 DAOZNTUXZQZUBN-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB CC[C@H](c1ccc(O)cc1)[C@](O)(CC)c1ccc(O)cc1 1600172 MGFPGOSFEBGPKB-MSOLQXFVSA-N 286.371 3.889 0 40 CHAB Clc1ccccc1NCSC1=NCCS1 1693311 DPBCAVBEWNRTAM-UHFFFAOYSA-N 258.799 3.545 0 40 CHAB Cc1ccc(N2C(=O)[C@@H]3CC[C@](C)(C2=O)C3(C)C)c(C)c1 3097287 MNLBANLVYHVZKB-SCLBCKFNSA-N 285.387 3.619 0 40 CHAB O=C(O)[C@H](Sc1nc2ccccc2o1)c1ccccc1 6241969 GWEDGROZKOAEGM-CYBMUJFWSA-N 285.324 3.746 0 40 CHAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2OC)cc1 6554339 QUJRPAFHRSOEJS-CYBMUJFWSA-N 299.370 3.585 0 40 CHAB CCOc1ccccc1CCC(=O)Nc1ccc(C)cc1 7127548 CAGOKKRWVNZELX-UHFFFAOYSA-N 283.371 3.965 0 40 CHAB Cc1ccc(F)cc1C(=O)CCCC1OCC(C)(C)CO1 2518113 IIYODZVVRFMPIN-UHFFFAOYSA-N 294.366 3.886 0 40 CHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(F)c2)cc1 11565739 AWLDLIQPOGRQQI-GFCCVEGCSA-N 286.302 3.562 0 40 CHAB O=C(NC1CCCCC1)n1c(=S)oc2ccccc21 259928 QRDWOFYDIDMNKC-UHFFFAOYSA-N 276.361 3.854 0 40 CHAB O=C(O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100142529 APWLCUAAISKVPI-SCQRFTTHSA-N 256.345 3.609 0 40 CHAB C[C@@H]1Cc2c(ccc3c(-c4ccccc4)cc(=O)oc23)O1 384869 GRTXOXUWEVXLFM-LLVKDONJSA-N 278.307 3.783 0 40 CHAB C[C@H](C(=O)Nc1ccccc1F)N1CCCc2ccccc21 21821738 FMVCSTHAEHIWRB-CYBMUJFWSA-N 298.361 3.606 0 40 CHAB Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H]1C[C@H]1C 69452839 NFEOQMQMCRDUPX-ZWNOBZJWSA-N 299.399 3.531 0 40 CHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)[C@@H]1CC=CCC1 54298890 VZHRYSHEBIHMBX-UONOGXRCSA-N 294.398 3.970 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(-c2nnco2)c1 104711312 QUCWRDDYHKSYPT-SGMGOOAPSA-N 297.358 3.501 0 40 CHAB CCOC(=O)c1sc(=S)n(C2CCCCC2)c1N 1295908 NKVWVZHPEVHQOU-UHFFFAOYSA-N 286.422 3.543 0 40 CHAB CCCCCOc1ccc(/C=C/C(=O)OCC)cc1OC 62714446 JIUSHWZGCKBOLQ-PKNBQFBNSA-N 292.375 3.841 0 40 CHAB CCN[C@H](c1ccc(Br)cc1)c1cccnc1 35539015 UIADRZHSZNPTFA-CQSZACIVSA-N 291.192 3.543 0 40 CHAB in-vitro C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2ncsc2c1 12794845 IYDAMOLVUVHKCF-LLVKDONJSA-N 294.379 3.888 0 40 CHAB Cc1cc(NC(=O)CS[C@@H](C)c2ccc(F)cc2)no1 45090889 JBUUSUIVTRVGJO-JTQLQIEISA-N 294.351 3.555 0 40 CHAB c1cc(Oc2nc3ccccc3o2)cc(-c2nnco2)c1 48262127 MHRSUKOXZNEMHF-UHFFFAOYSA-N 279.255 3.670 0 40 CHAB CCc1ccc(C(=O)NCc2ccccc2Cl)cc1 3562336 ZVLVLKVORBCRRK-UHFFFAOYSA-N 273.763 3.832 0 40 CHAB C[C@H](NCc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 3896871 GLJRNCZYMLAOAN-UYIIGHAYSA-N 297.442 3.950 0 40 CHAB C[C@@H](NC(=O)c1cccc2ccccc12)c1ccncc1 7184028 RCHCLLUPRRRIQW-CYBMUJFWSA-N 276.339 3.726 0 40 CHAB O=c1cc(-c2ccccc2)nc(NC2CCCCCC2)[nH]1 8844083 LJGZXPXBWQSQBH-UHFFFAOYSA-N 283.375 3.572 0 40 CHAB C[C@@H](CNC[C@@H]1CCCO1)Oc1ccc(C(C)(C)C)cc1 19737905 SEYDLTAVGGJHPD-YOEHRIQHSA-N 291.435 3.520 0 40 CHAB CC(C)NC(=S)Nc1ccc(Oc2ccccc2)nc1 408553371 YDYHKIGJSPOQCO-UHFFFAOYSA-N 287.388 3.569 0 40 CHAB COc1ccc(-c2nnc([C@H](C)Nc3ccccc3)o2)cc1 9835061 IVOYLVSVIMXVRU-LBPRGKRZSA-N 295.342 3.918 0 40 CHAB Cc1nc(-c2ccc(NC(=O)NC3CCCC3)cc2)co1 72280755 HNMVOTOTCNPDIX-UHFFFAOYSA-N 285.347 3.714 0 40 CHAB C[C@@H](CSCc1nnc(C2CC2)o1)c1ccccc1 97046917 OKKSLTZVRVBDDW-NSHDSACASA-N 274.389 3.984 0 40 CHAB CCOC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 72976362 NMCVFPWZULGJSC-CYBMUJFWSA-N 290.432 3.545 0 40 CHAB Cc1csc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n1 9913241 PKYDGMXIGYNRTJ-UHFFFAOYSA-N 285.372 3.802 0 40 CHAB COc1cccc(-c2cc(-c3ccccc3F)nc(N)n2)c1 71977879 ZGJZNLANXNUVQB-UHFFFAOYSA-N 295.317 3.541 0 40 CHAB O=C(O)c1cc(Cl)c(Cl)cc1C(F)(F)F 38219139 AOTZPPUVMJQEJL-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB CC[C@@H](C)NC(=O)Nc1ccccc1SC(F)F 43552857 UPPUWJPGROWZMA-MRVPVSSYSA-N 274.336 3.921 0 40 CHAB CC(C)(C)c1ccc(-c2noc(CC3CCNCC3)n2)cc1 72328577 OKNYQEJENDEPDB-UHFFFAOYSA-N 299.418 3.576 0 40 CHAB Cc1cccnc1[C@H]1CCCCN1C(=O)c1ccccc1 72211168 NVQLBAXESKBPKC-MRXNPFEDSA-N 280.371 3.757 0 40 CHAB CCOC(=N)c1cc(C(F)(F)F)ccc1Cl 228942261 HBBXXHLHCCWCNI-UHFFFAOYSA-N 251.635 3.721 0 40 CHAB CCCCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 44885909 DUIYCUGLTRSSQJ-HNNXBMFYSA-N 277.408 3.686 0 40 CHAB CCCC[C@@H](CC)CNC(=O)COc1ccc(CC)cc1 224264461 QQALAXJFWXKFQJ-MRXNPFEDSA-N 291.435 3.960 0 40 CHAB CC[C@@H](NC(=S)Nc1cccnc1)c1ccccc1C 225759301 LIQJIGRENVTYAQ-OAHLLOKOSA-N 285.416 3.828 0 40 CHAB C[C@@H](NCc1cc[nH]c1)c1nc(C(C)(C)C)cs1 86253222 MJTDRJXBBJMQJB-SNVBAGLBSA-N 263.410 3.620 0 40 CHAB Cc1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 96586350 DPCBQSANRLHYDZ-UHFFFAOYSA-N 295.382 3.891 0 40 CHAB CC(C)c1ccc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 95634417 SGAUHRAKTYYKKX-CABCVRRESA-N 274.360 3.884 0 40 CHAB CC[C@H](Oc1ccc(Cc2ccccc2)cc1)C(=O)O 13609239 HUQUPIBASYRNCT-INIZCTEOSA-N 270.328 3.519 0 40 CHAB CN(C)c1ccccc1NCc1cnc(C2CC2)s1 96486267 RXYLKJJDLLPOQX-UHFFFAOYSA-N 273.405 3.699 0 40 CHAB Cc1ccc(CN[C@@H](CO)c2ccsc2)cc1Cl 225522357 DEHZARYGANUBHL-AWEZNQCLSA-N 281.808 3.533 0 40 CHAB c1ccc(CSc2nnc(COc3ccccc3)o2)cc1 12249433 RDZRMNDJMOTEMZ-UHFFFAOYSA-N 298.367 3.941 0 40 CHAB Cc1occc1C(=O)Nc1nc2cc(Cl)ccc2o1 12372531 WKBRAOGWANEEKK-UHFFFAOYSA-N 276.679 3.635 0 40 CHAB CCc1nnc(SCc2ccc(Cl)cc2)n1CC 13992308 XWPBPSGNVANZDT-UHFFFAOYSA-N 281.812 3.806 0 40 CHAB O=C1O[C@@H](Nc2ccccc2Cl)c2ccccc21 100155 UHUVPNDWWLXSCC-CYBMUJFWSA-N 259.692 3.621 0 40 CHAB O=Cc1ccc2oc(-c3ccccc3Cl)nc2c1 33420338 JSWAECGJURTOHV-UHFFFAOYSA-N 257.676 3.961 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1ccccn1 26186596 CBXPDWNHIGNCKV-ZIAGYGMSSA-N 283.375 3.511 0 40 CHAB CC1=C(CC[C@@]2(C)OC(=O)N(C)[C@]2(C)O)C(C)(C)CCC1 1025476 DZOGJWVBHKHVCK-IAGOWNOFSA-N 295.423 3.842 0 40 CHAB CC(C)=CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 40074314 WJWORFOCPKSHAB-SNVBAGLBSA-N 287.281 3.729 0 40 CHAB Cc1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1C 40060348 RYHXFFIPCNEGJP-UHFFFAOYSA-N 269.344 3.701 0 40 CHAB CC(C)c1ccccc1NC(=O)NCc1ccccn1 40525715 DLROYVYYWYSGRU-UHFFFAOYSA-N 269.348 3.527 0 40 CHAB Cc1ccccc1NC(=O)CSc1ccc(F)cc1 3492384 PWHSCQZULYEJPL-UHFFFAOYSA-N 275.348 3.865 0 40 CHAB C[C@@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@H]2O 4428373 NLLMJANWPUQQTA-LAVFITLUSA-N 270.372 3.529 0 40 CHAB Cc1c(C)n(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc12 4629563 JMJLASSMKYSRLB-UHFFFAOYSA-N 294.276 3.655 0 40 CHAB COc1ccc(/C=C\Cc2cc(C)ccc2O)cc1 4900759 HIGNYHQARNYZJR-ARJAWSKDSA-N 254.329 3.965 0 40 CHAB COc1ccccc1CCC(=O)c1ccc(F)c(F)c1 2516485 YDJAQWZFUQMWJZ-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB CCN(Cc1cn2ccsc2n1)Cc1ccccc1C 60372414 KAJJSSOJRBUEBW-UHFFFAOYSA-N 285.416 3.726 0 40 CHAB C[C@@H](O)CNc1cc(-c2ccccc2)c2ccccc2n1 46341282 AHVXZGAQRNLPDT-CYBMUJFWSA-N 278.355 3.695 0 40 CHAB CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 75106604 XCCXKDRCIQRJCB-ZIAGYGMSSA-N 299.418 3.794 0 40 CHAB c1ccc2c(-c3ccnc(N4CCCCC4)n3)c[nH]c2c1 21005805 WXDDGKHUAMUZBL-UHFFFAOYSA-N 278.359 3.615 0 40 CHAB Cc1c2n(c3ccccc13)CCN[C@H]2c1ccccc1 53151232 JVXQRIWBIYJXBI-KRWDZBQOSA-N 262.356 3.642 0 40 CHAB CC(C)(C)CC(=O)Nc1nnc(Cc2ccccc2)s1 2734620 FQURNAJRFJNXJR-UHFFFAOYSA-N 289.404 3.504 0 40 CHAB Cc1ccccc1C(=O)NC(=S)Nc1cccc(C)c1C 1003664 KEWRJIWKCSNKIR-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB O=C(Nc1ccc2ccccc2n1)[C@@H]1C[C@H]2CC[C@H]1C2 105555822 KIUHGTDANJBXLB-FPMFFAJLSA-N 266.344 3.610 0 40 CHAB COc1ccc([C@@H]2NN=C(c3ccccc3)S2)c(C)c1 59409002 DURTUBRAFUNNPT-MRXNPFEDSA-N 284.384 3.700 0 40 CHAB O=C1OC(c2cccs2)=N/C1=C\c1c[nH]c2ccccc12 25139901 MQGYDHNBDHUHRY-JYRVWZFOSA-N 294.335 3.574 0 40 CHAB O=C(Nc1nc2ccccc2s1)c1ccsc1 10406873 HBOHRPODNBABLD-UHFFFAOYSA-N 260.343 3.610 0 40 CHAB CCCOc1ccccc1NC(=O)c1ccc(F)cc1 3554009 WVTZVVPZXUYBHT-UHFFFAOYSA-N 273.307 3.867 0 40 CHAB COc1cccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c1 8379222 CLHARYHMVVFDNI-UHFFFAOYSA-N 297.398 3.923 0 40 CHAB Cc1noc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)n1 69621808 XGCMYJWTNBKAPL-ABAIWWIYSA-N 271.364 3.570 0 40 CHAB O=C(c1ccc(NCc2ccccc2F)cc1)N1CCCC1 69736882 STEWAXUXBQKKHW-UHFFFAOYSA-N 298.361 3.674 0 40 CHAB C[C@H]1C[C@H](C)CN(CCCCOc2ccc(F)cc2)C1 4426760 DLVVQEAVYKASPK-GJZGRUSLSA-N 279.399 3.963 0 40 CHAB CC(C)COCCCNC(=O)Nc1ccc(Cl)cc1 14196625 FUSGURYLFNGQPS-UHFFFAOYSA-N 284.787 3.524 0 40 CHAB Cc1c(C2CC2)n[nH]c1NC(=O)[C@H]1CCCc2ccccc21 69844931 HQTVAXLMGUITLW-HNNXBMFYSA-N 295.386 3.654 0 40 CHAB CC(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)cc1 6905595 MVUUJMHQHUFTBU-UHFFFAOYSA-N 295.367 3.831 0 40 CHAB Cc1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)cc1 9154964 NZUSTDULTGJRHY-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB N#CN(Cc1cccc2cccnc12)c1ccccc1 84649122 NLXNZANPUJPOOT-UHFFFAOYSA-N 259.312 3.722 0 40 CHAB CCCCCCOc1ccc(C(=O)c2ncco2)cc1 85651161 YDBGAGAFHVHILW-UHFFFAOYSA-N 273.332 3.865 0 40 CHAB CCc1cc(N)cc2nc(-c3ccc(F)cc3)oc12 62537810 YYQVHZLHFFKNOX-UHFFFAOYSA-N 256.280 3.779 0 40 CHAB CCCN1CC=C(c2nc3cc(C)ccc3o2)CC1 73636259 RXCVLBISAKMHEZ-UHFFFAOYSA-N 256.349 3.635 0 40 CHAB CN(C(=O)C(C)(C)C)c1nc2c(s1)CCc1occc1-2 72373633 BDOMFBIRGOLQIE-UHFFFAOYSA-N 290.388 3.511 0 40 CHAB CCCNC(=O)c1cc(-c2cccs2)cs1 72243209 OTYLHOYGVBBTEO-UHFFFAOYSA-N 251.376 3.616 0 40 CHAB C=C(c1cccs1)c1ccc2ccccc2[n+]1C 75402880 PMUZUNINTXGKIJ-UHFFFAOYSA-N 252.362 3.787 0 40 CHAB CC[C@H](C)n1c([C@H](C)O)nc2cc(Cl)ccc21 40407652 HIZJUPGOIPVYGI-IUCAKERBSA-N 252.745 3.714 0 40 CHAB C[C@@H](NN)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 199535985 YDIVICPNDAQLIJ-SNVBAGLBSA-N 264.413 3.512 0 40 CHAB Nc1ccc(OCc2ccccc2)c(Br)c1 49844220 CWOYDLZVKUVCEH-UHFFFAOYSA-N 278.149 3.610 0 40 CHAB CCn1nc(C)c(CNc2ccc(C(F)(F)F)nc2)c1C 195562786 UUYBKMCDIQLMND-UHFFFAOYSA-N 298.312 3.546 0 40 CHAB CN(c1ccccn1)c1cc(Br)ccc1F 95915631 CTBMRQMEOSQJFL-UHFFFAOYSA-N 281.128 3.751 0 40 CHAB COc1cccc2[nH]c(-c3ccccc3)c(C)c(=O)c12 685938513 MKJNNZHZMFDOQS-UHFFFAOYSA-N 265.312 3.512 0 40 CHAB CCc1c(-c2ccccc2)[nH]c2cccc(OC)c2c1=O 685938641 RCQGUMJAEIHXKY-UHFFFAOYSA-N 279.339 3.766 0 40 CHAB CCc1c(C(C)C)[nH]c2cc(Br)ccc2c1=O 685938433 RSQDIYIGDKPDPG-UHFFFAOYSA-N 294.192 3.976 0 40 CHAB COCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1083800049 WHIBVHZPQNMYHW-UHFFFAOYSA-N 274.160 3.707 0 40 CHAB COc1cc(Br)c(C(F)(F)F)cc1C(C)=O 953039159 FDZDNOASWYMZJD-UHFFFAOYSA-N 297.070 3.679 0 40 CHAB O=C(NC[C@@H](O)C1CCCCC1)c1cccc2ccccc12 69496017 JVEDAFLPQZWZGG-GOSISDBHSA-N 297.398 3.511 0 40 CHAB Cc1ccc(C(C)C)cc1NC(=O)c1cccnc1 1584635 CCABNQDKDBVSTK-UHFFFAOYSA-N 254.333 3.766 0 40 CHAB Nc1ccc(NC(=O)c2cccc(Cl)c2)c(Cl)c1 569992 NGQYZQKAHGVCJC-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB O=C(NCC1CCCCC1)c1ccc(Br)cc1 3559979 REXDVQGLTOEKOF-UHFFFAOYSA-N 296.208 3.759 0 40 CHAB CC(=O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 5378014 LJOQISOXZLVDAS-TXCZRRACSA-N 266.425 3.959 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1cc(OC)cc(OC)c1 5707935 ROEKURQKSCXZSM-CYBMUJFWSA-N 293.407 3.650 0 40 CHAB CC1=C(C)[C@]2(C)[C@@]1(C)[C@@]1(C)NN=N[C@@]12c1ccccc1 5757500 LMSJRJZSTYWIJR-YLFCFFPRSA-N 267.376 3.987 0 40 CHAB CCOc1ccc(NCc2ccccc2OC)cc1 19902163 CRPSCFROCFMMOX-UHFFFAOYSA-N 257.333 3.706 0 40 CHAB CN(C)c1cccc(C(=O)Nc2cccc3cccnc23)c1 10783387 GDKVOHVSXOMTFQ-UHFFFAOYSA-N 291.354 3.553 0 40 CHAB CCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1 20545987 FHQMKXAFCOCOSB-UHFFFAOYSA-N 275.735 3.860 0 40 CHAB C[C@@H](c1ccccc1)n1c([C@@H](C)O)nc2ccccc21 99415 KXJMPGXUOJCYDN-QWHCGFSZSA-N 266.344 3.699 0 40 CHAB CN(C(=O)c1ncc(-c2ccc(F)cc2)o1)c1ccccc1 9321952 JYRLDLGEDIAMBY-UHFFFAOYSA-N 296.301 3.757 0 40 CHAB COc1ccccc1[C@H](CNc1nc2ccccc2o1)OC 1775970121 CFGXDTMKIFISSL-INIZCTEOSA-N 298.342 3.636 0 40 CHAB O=C(NCc1ccc(-c2cccs2)o1)c1ccoc1 575607927 FKKYPEVNNCUBSD-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB O[C@@H](c1ccccc1)c1cc(Br)ccc1F 40244036 IHUOBAUBJGOIHI-ZDUSSCGKSA-N 281.124 3.670 0 40 CHAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)c1ccccc1 20269568 DMMKMFFBADAPJB-OAHLLOKOSA-N 265.312 3.579 0 40 CHAB O=C(Nc1ccccc1)c1cc(F)c(Cl)nc1Cl 166912 HOOJJZAKBSAVLY-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB Cc1nccc(-c2cccc(NC(=O)c3ccccc3)c2)n1 31121798 PQZRTNYOZNESDO-UHFFFAOYSA-N 289.338 3.704 0 40 CHAB CCc1nc(SC)c2c3c(sc2n1)COC(C)(C)C3 547012 KXSRIAJWZAMRCJ-UHFFFAOYSA-N 294.445 3.827 0 40 CHAB O=C(O[C@H]1c2cccc3cccc(c23)[C@H]1O)c1ccccc1 1716938 XLGWYZRUVUWDAY-MSOLQXFVSA-N 290.318 3.785 0 40 CHAB O=C(O)c1ccc2nc(-c3ccccc3F)sc2c1 31894243 MNJKVMGNDUIAQH-UHFFFAOYSA-N 273.288 3.801 0 40 CHAB COc1ccc(NC(=O)Nc2cccc(C(C)=O)c2)c(C)c1 51355847 MDGDKJJVFRMQDG-UHFFFAOYSA-N 298.342 3.850 0 40 CHAB CCc1ccc(O[C@H](C)C(=O)Nc2ccccc2F)cc1 8106815 QUBZNGJHQCCKCZ-GFCCVEGCSA-N 287.334 3.794 0 40 CHAB Cc1cc(C)n(-c2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)n1 32819292 OERLQSIVDHTJEI-HUUCEWRRSA-N 297.446 3.967 0 40 CHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccccc1F 483446 XTESOSQZUQYBLP-LLVKDONJSA-N 287.309 3.946 0 40 CHAB CC(C)(C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 32904458 YIFKPXGELZOMOM-UHFFFAOYSA-N 282.387 3.830 0 40 CHAB CC(C)Oc1ccc(NC(=O)Cc2cccc(F)c2)cc1 12137907 UMRIYNUHUWKOGK-UHFFFAOYSA-N 287.334 3.794 0 40 CHAB Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@H]1C[C@H]1C 69452841 NFEOQMQMCRDUPX-MFKMUULPSA-N 299.399 3.531 0 40 CHAB CC[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 55276212 MYUSZVUJXIQZPL-QMMMGPOBSA-N 261.243 3.570 0 40 CHAB Nc1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl 20193816 DFVYRABHXZTNJI-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB C[C@@H](NC(=O)c1ccccc1)c1ccc(-n2cccc2)cc1 28303868 HYCXLMFXYFWOSX-OAHLLOKOSA-N 290.366 3.968 0 40 CHAB COCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 25335599 RPFIYYDNICUXOG-IAGOWNOFSA-N 299.345 3.714 0 40 CHAB COc1ccc(-c2csc3ncnc(N4CCC4)c23)cc1 12776996 KIPBQPANXCOLSI-UHFFFAOYSA-N 297.383 3.577 0 40 CHAB Fc1ccccc1COc1ccc(Br)cn1 69285216 JCFFCRXNJVTSLF-UHFFFAOYSA-N 282.112 3.562 0 40 CHAB CCc1ccccc1NS(=O)(=O)c1cc(C)sc1C 24070583 OALBQKJFZXBEEG-UHFFFAOYSA-N 295.429 3.728 0 40 CHAB CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1 5476502 LCZSTHIODUZSKX-BZUAXINKSA-N 257.377 3.581 0 40 CHAB O=C(CC(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1 66762080 FPQSTPNHHRFOTH-CYBMUJFWSA-N 285.309 3.735 0 40 CHAB Cc1ccccc1CN(CCN(C)C)Cc1cccs1 23247834 LUETYSXTMIBWIJ-UHFFFAOYSA-N 288.460 3.620 0 40 CHAB CC[C@@H](Sc1ccccc1)C(=O)Nc1c(C)noc1C 71894098 YUIXVBDPFMRSQM-CYBMUJFWSA-N 290.388 3.801 0 40 CHAB COc1cc(CC(=O)Nc2cc(C)ccc2OC)ccc1C 9691747 XKVVYBULADZVCK-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Cc1cccnc1[C@@H](NC(=O)c1ccsc1)C(C)C 71908535 NMUJHDOXTZFILQ-ZDUSSCGKSA-N 274.389 3.579 0 40 CHAB Cc1nn(C)c(C)c1OCc1nc(-c2ccccc2)oc1C 76040159 MZNUHXBZRCQNDH-UHFFFAOYSA-N 297.358 3.579 0 40 CHAB CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)s1 23993840 VXBFHTFNJXCAEA-SECBINFHSA-N 295.857 3.505 0 40 CHAB Cc1ccc2nc(SC(=O)Cc3ccccc3)[nH]c2c1 408620507 JTFPMMQCSPSMDB-UHFFFAOYSA-N 282.368 3.733 0 40 CHAB CCc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1 72331624 PFFYQAVAGBDKHH-UHFFFAOYSA-N 291.753 3.972 0 40 CHAB COC(=O)c1ccc(-c2ccnc(Cl)c2Cl)cc1 36532806 ZLDDFNXHJWLKEI-UHFFFAOYSA-N 282.126 3.842 0 40 CHAB O=C(OCCC1CC1)c1cc(F)ccc1NCCC1CC1 72233635 UCWUINIZIABHHZ-UHFFFAOYSA-N 291.366 3.995 0 40 CHAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)s1 32037632 GTRHXQVIOZAYSO-ZJUUUORDSA-N 269.797 3.935 0 40 CHAB Cc1cc(C)c(C)c(OCC(=O)NC(C(C)C)C(C)C)c1 218964910 REPRKVOLKWZEBH-UHFFFAOYSA-N 291.435 3.787 0 40 CHAB Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)c(C)c1 36022361 IXGOSCWLAXUIAN-CQSZACIVSA-N 265.356 3.895 0 40 CHAB CCOC(=O)C[C@@H](c1cccc(Cl)c1)N1CCCCC1 72210310 RPTFEHKMIOQHFU-HNNXBMFYSA-N 295.810 3.820 0 40 CHAB c1ccc(-c2nccc([C@@H]3CCCN3C3CCCC3)n2)nc1 72355770 XMFFXODOEACNGB-KRWDZBQOSA-N 294.402 3.618 0 40 CHAB NCCc1c(-c2cnc3ccccc3c2)[nH]c2ccccc12 35572224 XFBWSFWILSJJNO-UHFFFAOYSA-N 287.366 3.884 0 40 CHAB COc1ccc2cc(C(=O)C[C@H](C)CC(=O)O)ccc2c1 61829225 AFGZXMGGGBPLDY-NSHDSACASA-N 286.327 3.532 0 40 CHAB Cc1ccc(Oc2ccc(C(=O)N3CCCC3)o2)cc1 72260109 MDQYTWOOZSCCCS-UHFFFAOYSA-N 271.316 3.616 0 40 CHAB COc1cc(Cl)ccc1C(=O)NCc1cccc(C)c1 49412540 VARGAPVWNUMYQX-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB CC(C)(C)NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254321 JTHGYIJAWUGCOB-UHFFFAOYSA-N 293.370 3.758 0 40 CHAB CCCCc1ccc(-n2ncc3c(Cl)ncnc32)cc1 85398030 XJVWRDYTBRGOGZ-UHFFFAOYSA-N 286.766 3.812 0 40 CHAB CCC(=O)NCCSCc1c(Cl)cccc1Cl 225298136 SUIGOXRUIXFFOD-UHFFFAOYSA-N 292.231 3.753 0 40 CHAB CCN(C(=O)C(F)(F)F)c1ccc2c3c(cccc13)CC2 226284705 NQWLHEOPVSWSGN-UHFFFAOYSA-N 293.288 3.854 0 40 CHAB CC(C)CNCc1cccn1-c1ccccc1Cl 223684411 WGBWWPGNOQRMRD-UHFFFAOYSA-N 262.784 3.876 0 40 CHAB Cc1ccc(C)c(COc2cc(C(=O)O)ccc2C)c1 13248769 VAKIXNCSICRWEC-UHFFFAOYSA-N 270.328 3.889 0 40 CHAB Fc1ccccc1C1=NCc2ccccc2-n2cccc21 225374242 FFBKOCYITJRIMG-UHFFFAOYSA-N 276.314 3.967 0 40 CHAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1Cl 222887367 OGHZKWPYLAKAMV-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB Brc1cncc(NC2CCCCC2)c1 96510501 MBLCONCPFNWREN-UHFFFAOYSA-N 255.159 3.589 0 40 CHAB Cc1noc(C)c1-c1noc(C(F)=C2CCCC2)n1 333258036 UBWGDIKYUVYHGB-UHFFFAOYSA-N 263.272 3.596 0 40 CHAB Cc1cc(F)cc(NC(=O)c2cc(F)cc(F)c2)c1 98072800 CFGPIFXXGSOQKV-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB OCc1ccccc1OCCCOc1ccc(Cl)cc1 531792556 WWMCOFQEAMNXRM-UHFFFAOYSA-N 292.762 3.680 0 40 CHAB COc1cccc(OC)c1C(=O)c1cc(Cl)ccc1C 95916573 NYZZTUSTNGFVQE-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB Cc1occc1C(=O)N(C)Cc1ccc(Cl)s1 44869362 YZXCLYFJELSTNP-UHFFFAOYSA-N 269.753 3.575 0 40 CHAB Nc1ccc(SC(F)(F)F)c(C(F)(F)F)c1 91252715 KCWKHKUZKSLAGY-UHFFFAOYSA-N 261.190 3.900 0 40 CHAB O=C(NCCCSC(F)(F)F)OCc1ccccc1 95918482 PFNKMIFPLQMZKL-UHFFFAOYSA-N 293.310 3.556 0 40 CHAB c1ccc(C[C@@]2(CNC3CC3)C[C@H]3CC[C@H]2C3)cc1 101531516 AKTLRJMZMPEHHU-BQFCYCMXSA-N 255.405 3.788 0 40 CHAB in-vitro COc1ccc2c(c1OC)C[C@@H](c1ccccc1)CC2=O 39235077 USXIKZJOBQKJFM-CYBMUJFWSA-N 282.339 3.617 0 40 CHAB O[C@H]1CCCN(C2CCCC2)[C@H]1Cc1ccc(Cl)cc1 1615191502 GKWCRVLMPVTYKW-IRXDYDNUSA-N 293.838 3.650 0 40 CHAB Cc1c(Cl)cccc1NC(=S)NC(C)(C)C 7559163 VVPVSDWLUPGHIV-UHFFFAOYSA-N 256.802 3.733 0 40 CHAB FC1(F)S[C@@H]2[C@H]3C[C@H]([C@@H]4CCC=C43)[C@H]2C1(F)F 5062859 SBJPRTIBDXTBFQ-SVFDORGDSA-N 264.287 3.932 0 40 CHAB O=C(Cc1ccccc1Cl)Nc1ccc(F)c(F)c1 5679736 VNWPNOCSIDWGNW-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB CC(C)CCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708551 TWAMCZAIDHVOBH-CQSZACIVSA-N 285.387 3.769 0 40 CHAB O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1ccco1 15838017 QCTCLUJPGFXUJU-ZDUSSCGKSA-N 292.285 3.927 0 40 CHAB CC(C)COc1ccc(CCNC(=O)OC(C)(C)C)cc1 303423612 ZAPQRILAUMTMOG-UHFFFAOYSA-N 293.407 3.789 0 40 CHAB Cc1ccc2nc(CSc3ccc(O)cc3)cn2c1 38079051 KLEKWXRCCZCQPJ-UHFFFAOYSA-N 270.357 3.641 0 40 CHAB Cc1ccn2c(C=O)c(-c3ccc(F)cc3)c(C=O)c2c1 91014 LEOZOXJLWCYANA-UHFFFAOYSA-N 281.286 3.679 0 40 CHAB C[C@H]1C[C@@H]1C(=O)N1CCC(CCc2ccccc2)CC1 40024209 LQJGFLQVVOLPFQ-YOEHRIQHSA-N 271.404 3.514 0 40 CHAB O=C(Nc1cccnc1)c1occc1-c1ccccc1 40025421 XLCCEXXHAAEITG-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB O=C(c1ccc(Cl)o1)N1CCC[C@@H]1c1ccsc1 40107731 WCSXHTPUENQJPR-SNVBAGLBSA-N 281.764 3.972 0 40 CHAB Cc1ccc(N[C@H]2OC(=O)c3ccccc32)cc1Cl 91774 IXPPVUQIWPKNCA-AWEZNQCLSA-N 273.719 3.930 0 40 CHAB CCOc1ccccc1C(=O)OCC(Cl)(Cl)Cl 1687343 AXILWDVKZQKRGM-UHFFFAOYSA-N 297.565 3.612 0 40 CHAB CC(C)(C)C1COP(=O)(Oc2ccccc2)OC1 1735292 DIAJXXIPXPCGMB-UHFFFAOYSA-N 270.265 3.883 0 40 CHAB CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 31664625 MJDAFZDIGZNYSS-LURJTMIESA-N 264.177 3.683 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)[C@@H]2CC=CCC2)cc1 31695234 MZCFASOPNDEOPM-TZMCWYRMSA-N 275.417 3.942 0 40 CHAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1nccs1 3528484 ZOFHBTFJBZRGBJ-UHFFFAOYSA-N 298.367 3.559 0 40 CHAB O=C(CCSc1ccccc1)Nc1ccccc1 6402661 GRISYZOBZWVZEH-UHFFFAOYSA-N 257.358 3.808 0 40 CHAB Cc1cc(C)cc(CSCC(=O)NCc2ccccc2)c1 7208881 WGNMGCLEAAVBSX-UHFFFAOYSA-N 299.439 3.853 0 40 CHAB C[C@@](Cc1ccccc1)(C(=O)O)c1ccccc1Cl 11732574 WGJHNXVSXDHEPO-INIZCTEOSA-N 274.747 3.925 0 40 CHAB CCc1ccccc1N1C(=O)[C@@H]2CC[C@@](C)(C1=O)C2(C)C 100283190 WJRPGDRTJITICN-UGSOOPFHSA-N 285.387 3.565 0 40 CHAB O=C(CCc1ccco1)N1CCC(c2ccccc2)CC1 32908573 XFQFJWMGPKABEQ-UHFFFAOYSA-N 283.371 3.618 0 40 CHAB Cc1ccccc1-n1nc(C)c(CCc2ccccc2)c1O 9938076 PEBGNYKYTBOSCF-UHFFFAOYSA-N 292.382 3.980 0 40 CHAB Fc1ccc(CSc2nc(-c3ccccc3)n[nH]2)cc1 18179270 CYLWSPXUCSQBFE-UHFFFAOYSA-N 285.347 3.903 0 40 CHAB O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@H]2CC[C@H]1C2 108065346 TVRCFPMUENFIGO-DRZSPHRISA-N 299.399 3.580 0 40 CHAB COc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1 3441210 FYTJXQIQFWPZMS-UHFFFAOYSA-N 275.348 3.526 0 40 CHAB Cc1csc(SCC(=O)Nc2ccc(C)c(F)c2)n1 3413631 MVJHREQDJSUGKN-UHFFFAOYSA-N 296.392 3.630 0 40 CHAB CCOc1ccc([C@@H](C)NC(=O)Cc2cccs2)cc1 12977885 MLTSHTDGBIXSLH-GFCCVEGCSA-N 289.400 3.567 0 40 CHAB Cc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c(C)c1 3536960 TYKFQRYHCZZVJB-HNNXBMFYSA-N 294.398 3.693 0 40 CHAB Cc1ccccc1Cn1cc(SC(=N)N)c2ccccc21 3866085 LAGYFFDZUPNKDA-UHFFFAOYSA-N 295.411 3.984 0 40 CHAB CCOc1ccccc1NC(=O)/C=C/c1ccc(CC)o1 5032652 RNDRGMMTZPDDFV-VAWYXSNFSA-N 285.343 3.893 0 40 CHAB COc1cccc(-c2cn3nc(CC(C)C)sc3n2)c1 5182400 GSZKARHWHCRUBE-UHFFFAOYSA-N 287.388 3.665 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCC[C@@H]1C 6790118 NWIMMNSYUZEOJT-SWLSCSKDSA-N 298.386 3.959 0 40 CHAB C[C@@H]1CC[C@H](NC[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 70113455 WEBSLYFGILFDTQ-MPTQWLOMSA-N 281.827 3.788 0 40 CHAB O=C(NCCc1ccco1)c1sccc1-c1ccccc1 8772504 UWQYTFRXUAKGRV-UHFFFAOYSA-N 297.379 3.981 0 40 CHAB C[C@H](Oc1ccccc1F)C(=O)Nc1c(F)cccc1F 9512637 JZJPKWRAFXUPCS-VIFPVBQESA-N 295.260 3.510 0 40 CHAB Cc1nc(C)c(CNc2cnn(-c3ccccc3)c2)s1 92568450 JJAXNBOXCUWEMN-UHFFFAOYSA-N 284.388 3.558 0 40 CHAB CCc1cc(C(=O)Nc2nnc(C3CC3)s2)sc1C 24022042 HMHMGJBDGGXFAI-UHFFFAOYSA-N 293.417 3.600 0 40 CHAB COc1ccc([C@H](NC(C)=O)c2ccccc2Cl)cc1 84752883 JLSLJQWZOGVDPW-INIZCTEOSA-N 289.762 3.574 0 40 CHAB C[C@@H](Nc1cccc(-c2nc[nH]n2)c1)c1ccc(F)cc1 95991621 CVBYJKVUJLKPEA-LLVKDONJSA-N 282.322 3.784 0 40 CHAB CC[C@H](C)NCc1ccc(OCC(C)C)c(OC)c1 32114239 LTFQRZYFUWUXRO-ZDUSSCGKSA-N 265.397 3.618 0 40 CHAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc[nH]3)C2=O)cc1 214476488 FNLCPNOOAGYYPK-NTEUORMPSA-N 298.367 3.560 0 40 CHAB COc1ccc2[nH]c([C@H](O)c3ccc(C)cc3)c(C)c2c1 72434035 TXMGOMUIROZCSV-GOSISDBHSA-N 281.355 3.875 0 40 CHAB CCc1ccc(NC(=S)NCc2cccc(F)c2)cc1 46415872 BNDINJHTBGGGFJ-UHFFFAOYSA-N 288.391 3.875 0 40 CHAB CNc1ccc(NC(=O)c2cccs2)c(Cl)c1 226285719 IDLBFWNSSHWLAF-UHFFFAOYSA-N 266.753 3.696 0 40 CHAB c1csc([C@H](N[C@H]2CCCc3occc32)C2CC2)n1 192903842 SICGSGZFDXLPNE-GXTWGEPZSA-N 274.389 3.854 0 40 CHAB CCc1ccccc1C(=O)Nc1c(C)cccc1O 192442232 AFRNUWNICLCXPK-UHFFFAOYSA-N 255.317 3.515 0 40 CHAB CC(C)c1cc(Br)c(OC2CC2)cn1 95723516 KTXYFRALLANAJZ-UHFFFAOYSA-N 256.143 3.509 0 40 CHAB O=c1[nH]c2ccccc2nc1/C(Cl)=C\c1ccccc1 98054437 ZPSIQZKIRHPDLA-ZRDIBKRKSA-N 282.730 3.660 0 40 CHAB CCC1CC(COc2ncccc2Br)C1 95093876 XCDOLKJRTQKVTE-UHFFFAOYSA-N 270.170 3.659 0 40 CHAB O=Cc1ccccc1COc1ccc(OC(F)(F)F)cc1 95740109 JFCVUSNYRLTQEQ-UHFFFAOYSA-N 296.244 3.977 0 40 CHAB CC[C@H](N)c1cc2ccccc2n1C(=O)OC(C)(C)C 96509789 ASFMTXUFPSDTNE-LBPRGKRZSA-N 274.364 3.834 0 40 CHAB Cc1cc(OCc2ccccc2)c(C(=O)O)cc1C 396144916 QTYCYPOLXCLFEH-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB COC(=O)CCCCC(=O)c1c(C)cc(C)cc1C 575358857 HKVOEWOQSNIABG-UHFFFAOYSA-N 262.349 3.528 0 40 CHAB Cc1cc(NC(=O)C2CC(F)(F)C2)ccc1Cl 654248632 MOUMJPFVLOCELL-UHFFFAOYSA-N 259.683 3.632 0 40 CHAB CC(=O)c1c(C(F)(F)F)ccc(Br)c1F 258837390 ROWNHXLNRFALJS-UHFFFAOYSA-N 285.034 3.810 0 40 CHAB O=C(N[C@H]1CCC[C@H]2CCCC[C@H]12)c1ccccc1 5124740 VHFBASFFPCKHDU-KBMXLJTQSA-N 257.377 3.775 0 40 CHAB Cc1cc(NC(=O)c2ccccc2F)c2ccccc2n1 5934748 KHJAFCRJOPCHTD-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccs2)C1 12183122 WQSYSTPCDDGAHJ-LLVKDONJSA-N 295.404 3.578 0 40 CHAB C[C@H](NC(=S)Nc1ccc(Cl)cn1)c1ccccc1 13837985 LLSDBNJTMJQXIR-JTQLQIEISA-N 291.807 3.783 0 40 CHAB COc1ccc(-c2csc(-c3ccncc3)n2)c(OC)c1 19620735 XFBUHXHQDVKLKE-UHFFFAOYSA-N 298.367 3.889 0 40 CHAB O[C@@H](c1ccccc1OCc1ccccc1)C(F)(F)F 107718300 DOTUQLQTJHCTJA-AWEZNQCLSA-N 282.261 3.861 0 40 CHAB CC[C@H](NC(=O)c1ccccc1)c1ccc(OC)cc1 7037298 ZXCRGVRMTFSQBE-INIZCTEOSA-N 269.344 3.576 0 40 CHAB CN(C)c1ccc(-c2cnc(NC3CCCC3)nc2)cc1 1888916684 WXGTYKYKHDVUHR-UHFFFAOYSA-N 282.391 3.564 0 40 CHAB CCOC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 609551873 RKQDQOCHRMBTSS-BDAKNGLRSA-N 259.132 3.660 0 40 CHAB Cc1ccc2[nH]/c(=N\C(=O)c3ccccc3C)sc2c1 1518142 GRFJOHYZPFYXGI-UHFFFAOYSA-N 282.368 3.587 0 40 CHAB CC(C)C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 4062975 DIEZWCAJEOKNKM-UHFFFAOYSA-N 297.383 3.953 0 40 CHAB O=C(NCc1ccc(-c2ccco2)o1)Nc1cccs1 575609802 HIUUGASLKRXNND-UHFFFAOYSA-N 288.328 3.923 0 40 CHAB O=C(Nc1nc(-c2ccco2)cs1)C1CCCC1 40111381 LQDHYOUMOOCERD-UHFFFAOYSA-N 262.334 3.532 0 40 CHAB CC(C)(C)NC1=NN=C(c2ccc(Cl)cc2)CS1 72263 ZYGZEHBPRTVGGB-UHFFFAOYSA-N 281.812 3.535 0 40 CHAB CC(=O)c1sc2nc3ccc(C)cc3cc2c1N 422159 GGTRQNMBFZUYBW-UHFFFAOYSA-N 256.330 3.543 0 40 CHAB COc1cccc(NC(=O)C2[C@H]3CCC=CCC[C@@H]23)c1 4995973 WDAXOBKVWURYGP-XYPWUTKMSA-N 271.360 3.626 0 40 CHAB C1=CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3[C@H]2C1 6000107 OUQFYCOJMMHQMV-LXIYXOSZSA-N 264.372 3.663 0 40 CHAB O=C(OCc1ccccn1)c1cc2cc(Cl)ccc2o1 36725788 ARBNFVNUMAQCJZ-UHFFFAOYSA-N 287.702 3.838 0 40 CHAB CCOC(=O)CCCC(=O)c1cc(Cl)ccc1Cl 2580344 BGXPAOANFUOBCX-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB Cc1cc(C)c(N2C(=O)c3ccc(C)cc3C2=O)c(C)c1 368732 VKQZGGWYBOEOFG-UHFFFAOYSA-N 279.339 3.721 0 40 CHAB C[C@](Cc1ccccc1)(C(=O)O)c1cccc(Cl)c1 11732597 STFPLJHNDCUUGV-MRXNPFEDSA-N 274.747 3.925 0 40 CHAB CC[C@@H](C)NC(=O)Cc1ccc(-c2ccccc2)cc1 2655897 WAVIFUQRLJDUAX-CQSZACIVSA-N 267.372 3.811 0 40 CHAB O=C(Nc1nc(-c2cccs2)ns1)c1ccccc1 11914346 VFSXHTPRXIQTPM-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB FC(F)(F)c1cnc(NCc2ccncc2)c(Cl)c1 21818148 RRYKFYYOSXBQIG-UHFFFAOYSA-N 287.672 3.761 0 40 CHAB O=C(NC1CCCCC1)N1CCc2[nH]c3ccccc3c2C1 549734 QPHTXNSTEOUOEJ-UHFFFAOYSA-N 297.402 3.568 0 40 CHAB COc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1 507173 RPLFBIOEIFQSEL-UHFFFAOYSA-N 282.343 3.504 0 40 CHAB COc1oc(-c2ccc(C)cc2)nc1C(F)(F)F 537533 RDCKIFFWSAHJJI-UHFFFAOYSA-N 257.211 3.677 0 40 CHAB CCCN1CCC[C@H]1c1ccc(N[C@H](C)CC)nc1 108368632 FIZLAPMVBYATNF-HIFRSBDPSA-N 261.413 3.839 0 40 CHAB CCC[C@H](C)NC(=O)Nc1ccc(NC(=O)OCC)cc1 47948061 ZOODQUGORRDWPX-NSHDSACASA-N 293.367 3.565 0 40 CHAB Cc1nc(CSc2cnc3ccccc3n2)oc1C 58161941 KADOMPGUOKQRLB-UHFFFAOYSA-N 271.345 3.527 0 40 CHAB Cc1ccccc1C[S@](=O)Cc1cccc(F)c1 58168086 XOUPWCWZLJMTBP-SFHVURJKSA-N 262.349 3.583 0 40 CHAB C[C@@H](NC(=O)c1ccoc1)C12CC3CC(CC(C3)C1)C2 12850054 KXHPGZFBJIPPKN-SFCYXTAJSA-N 273.376 3.614 0 40 CHAB S=C(NC1CCCCC1)N1CCSc2ccccc21 3458950 LPBPNHIGJCNUHS-UHFFFAOYSA-N 292.473 3.806 0 40 CHAB O=C(Nc1ccc(F)c(F)c1F)C1(c2ccccc2)CC1 7716162 IHCOURXLLDCXIZ-UHFFFAOYSA-N 291.272 3.774 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280185 CTWZBYRMLLZJGQ-MFKMUULPSA-N 297.383 3.657 0 40 CHAB CNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 6552112 ATQDYXJMDZIBJQ-UHFFFAOYSA-N 296.399 3.674 0 40 CHAB Cc1cc(CN2CCc3sccc3C2)cc(C)c1O 14309323 LTNBWFNJYMQXGS-UHFFFAOYSA-N 273.401 3.629 0 40 CHAB O=C1[C@@H]2CC=C[C@H]2C1(c1ccccc1)c1ccccc1 4684335 DNZJVCHYHROQDV-IAGOWNOFSA-N 260.336 3.748 0 40 CHAB COc1cc(C)c(NC(=O)c2cccc(C)c2C)cc1OC 5616880 AWNGFOIAZMLJSM-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB O=C(Nc1c(F)cccc1F)c1cccc(Cl)c1 15011171 OYICADHNQRMGRJ-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB O=C1c2ccccc2N[C@H](c2ccco2)N1Cc1ccco1 7112513 QNELDBDBXDWGEQ-INIZCTEOSA-N 294.310 3.639 0 40 CHAB CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccccc1 8714200 MGQKBHBGFZNBKG-CQSZACIVSA-N 295.382 3.836 0 40 CHAB Cc1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)on1 8880184 CCZDLSKROQHPDO-UHFFFAOYSA-N 290.322 3.807 0 40 CHAB CN1Cc2cccc3c2[C@H](Cc2ccccc2S3)C1 19802484 BTMBDRIKPNQIGA-CQSZACIVSA-N 267.397 3.923 0 40 CHAB Cc1ccc(S(=O)(=O)/C=C/Cc2ccccc2)cc1 9614858 YEEWCOFYHREBKB-WLRTZDKTSA-N 272.369 3.525 0 40 CHAB C[C@@H](NC(=O)[C@H]1CC=CCC1)C(C)(C)c1ccccc1 78743202 QLUUWDDYAWURJA-CABCVRRESA-N 271.404 3.825 0 40 CHAB C[C@@H]1CCCC[C@H]1Nc1cccc(N2CCOCC2)c1 95360924 RZFNJOKDWRMMOI-RHSMWYFYSA-N 274.408 3.514 0 40 CHAB Cc1ncsc1CN[C@H](C)c1ccc(F)cc1N(C)C 95421959 ZVVWNFRQAHBENY-SNVBAGLBSA-N 293.411 3.507 0 40 CHAB CCCCN1CCC(N[C@H](C)CSCC(C)C)CC1 95967520 LWFPVPWGUVVVFX-OAHLLOKOSA-N 286.529 3.618 0 40 CHAB CC(C)n1cc([C@H](C)Nc2ccc(-n3ccnc3)cc2)cn1 95990588 NMKCBRFPJHKMRM-AWEZNQCLSA-N 295.390 3.823 0 40 CHAB COc1ccc(Cl)c(C(=O)C(F)(F)Br)c1 308840216 YKGOEXJAXKIWEE-UHFFFAOYSA-N 299.498 3.519 0 40 CHAB CCCCNCc1ccc(Br)cc1Cl 37927311 XETKDVONTKOCAJ-UHFFFAOYSA-N 276.605 3.992 0 40 CHAB C[C@@H](NCc1cccc(OC(F)(F)F)c1)c1cccnc1 76395871 UVUYDHJTPFNGCA-LLVKDONJSA-N 296.292 3.831 0 40 CHAB C[C@H](CC(F)(F)F)Nc1ccc(N2CCCC2=O)cc1 129300047 KASCZQPCQOAEPW-SNVBAGLBSA-N 286.297 3.566 0 40 CHAB CCC(=O)c1cc(Br)ccc1Br 36180122 BDMKNCCZDVJUOG-UHFFFAOYSA-N 291.970 3.804 0 40 CHAB O=C(O)CCc1ccc(C(F)(F)F)cc1C(F)(F)F 71867261 POPIIFPERMLVHR-UHFFFAOYSA-N 286.171 3.741 0 40 CHAB CCNc1ccc2oc(-c3cccc(OC)c3)nc2c1 226283573 UGPVFEAYRURNDY-UHFFFAOYSA-N 268.316 3.935 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(C)cc1C 222740345 FQKZWQQAJUFUEK-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)c1ccccc1 44948732 BZVTZBPXTDBTHL-AWEZNQCLSA-N 283.371 3.679 0 40 CHAB CC(C)(C)N(Cc1ccccn1)C(=O)[C@H]1CC=CCC1 195577979 LFPPTALYRSCMEA-AWEZNQCLSA-N 272.392 3.565 0 40 CHAB CC(C)=C1CC[C@]2(C)C[C@H]1c1c(cc(C)oc1=O)O2 257215890 CSBRMCBPYWFVEF-MLGOLLRUSA-N 260.333 3.703 0 40 CHAB COc1cccc(OC)c1C(=O)c1ccc(C)c(Cl)c1 95916403 QBGOFGWNHORXIU-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB CCc1c(C(F)(F)F)nc2ccc(C)cc2c1O 685938043 HNEPESYSVAXBJX-UHFFFAOYSA-N 255.239 3.830 0 40 CHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 5865977 YWNCDTCUCQZPCJ-CQSZACIVSA-N 297.354 3.604 0 40 CHAB CCOc1cccc(NC(=S)Nc2ccccc2)c1 5327645 BYWQFRDMKFVNPU-UHFFFAOYSA-N 272.373 3.894 0 40 CHAB Cc1ccc(F)c(NC(=O)c2c(F)cccc2F)c1 15965289 OHLQYJFUNIXAAK-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB O=C(O)c1ccccc1COc1cccc2cccnc12 35415250 COGLRPVCWFCLLB-UHFFFAOYSA-N 279.295 3.512 0 40 CHAB Cc1cc(C)c2cc(C(=O)N3CCCCC3)[nH]c2c1C 28262822 YDRQYZATJZJDFL-UHFFFAOYSA-N 270.376 3.719 0 40 CHAB CCOc1ccc(C(=O)c2ccc(CC)cc2)cc1 36941846 OYURJHCQLQKVIC-UHFFFAOYSA-N 254.329 3.879 0 40 CHAB CCOC(=O)CCCC(=O)c1cc(C)ccc1Cl 575361404 AWCBJDNWIOVJOX-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB O=c1c2sccc2[nH]c(=S)n1-c1ccc(Cl)cc1 100020585 OLSBNBFZWYJKKK-UHFFFAOYSA-N 294.788 3.763 0 40 CHAB CCc1cc(C(=O)N2CCn3cccc3[C@@H]2C)sc1C 30264864 FCDCECOVFILRJQ-NSHDSACASA-N 288.416 3.637 0 40 CHAB CCC(C)(C)NC(=O)c1cc2c(F)cccc2s1 40159521 TWNHLROKBSUZSC-UHFFFAOYSA-N 265.353 3.959 0 40 CHAB O=C1O[C@@H](Nc2cccc(C(F)(F)F)c2)c2ccccc21 100162 RIEMQIBCJUVPFC-CYBMUJFWSA-N 293.244 3.987 0 40 CHAB CC1(C)c2ccccc2-c2nc3ccccc3nc2[C@@H]1O 1745132 BVJSXXINSMQLPG-KRWDZBQOSA-N 276.339 3.621 0 40 CHAB O=C(Nc1ccccc1F)OC[C@H]1C[C@@H]2C=C[C@H]1C2 1752781 XHVOMUHAHXEEON-GRYCIOLGSA-N 261.296 3.586 0 40 CHAB CCc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 3566387 RCYCXASSRRFVBB-UHFFFAOYSA-N 257.308 3.949 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(F)ccc2F)c1 3611299 ALVDKLSCIYGALI-NSHDSACASA-N 291.297 3.679 0 40 CHAB O=C(O)c1ccccc1C(=O)O[C@@H]1CCC[C@H]2CCC[C@@H]21 4990559 VEGRITIPQKETSW-TYNCELHUSA-N 288.343 3.510 0 40 CHAB Cc1ccc(C)c(C(=O)Nc2ccc(F)c(F)c2)c1 6377729 GKHFRCNVRXJWCT-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CSc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 365052 LSDPDOOLPZOTKX-LBPRGKRZSA-N 287.384 3.815 0 40 CHAB CCc1ccc(CCC(=O)Nc2cccc(OC)c2)cc1 10338001 SHJMJPUQAUKGAN-UHFFFAOYSA-N 283.371 3.829 0 40 CHAB Cc1ccc(CC(=O)N[C@H]2CCCc3ccccc32)cc1 8061060 QEZCWNLXIJJTAC-SFHVURJKSA-N 279.383 3.731 0 40 CHAB O=C(Nc1cccc2cnccc12)C(Cl)(Cl)Cl 7779451 HKTRSKAOBPIEGE-UHFFFAOYSA-N 289.549 3.544 0 40 CHAB Cc1ccc(OCc2ccc(C(=O)O)s2)cc1C 12357622 HXNLMJOQNLGIPW-UHFFFAOYSA-N 262.330 3.642 0 40 CHAB CCOCCCCNC(=O)Nc1c(C)cc(C)cc1C 47323619 NWCSXWZSGNWQAI-UHFFFAOYSA-N 278.396 3.550 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCC1=CCCCC1 105702637 VAUVHWYRAVWBMF-HRCADAONSA-N 261.409 3.819 0 40 CHAB C[C@]12CC3CC(C(=O)NCc4cccnc4)(C1)C[C@](C)(C3)C2 100798855 BMOXTRDXGVCHJL-KNCVXQGMSA-N 298.430 3.694 0 40 CHAB Cc1nc(-c2ccsc2)ccc1C(=O)N(C)CC1CC1 58406348 CKVPCIHVHHDIHA-UHFFFAOYSA-N 286.400 3.601 0 40 CHAB c1ccc(-c2cn(-c3ncnc4ccsc34)cn2)cc1 14095270 MWVIZRLFHPUHIH-UHFFFAOYSA-N 278.340 3.544 0 40 CHAB FC(F)(F)[C@@H]1CCCN(c2nc3ccccc3o2)C1 65565098 AFUBKOOGYAIJOJ-SECBINFHSA-N 270.254 3.607 0 40 CHAB C[C@@H]1C[C@@H](C)CN(CCC(=O)Nc2ccc(Cl)cc2)C1 4743787 UCDGRAQDXGRBCS-CHWSQXEVSA-N 294.826 3.647 0 40 CHAB O=c1c(SCc2ccccc2)nccn1-c1ccccc1 6915245 IROXWUZBHNZCKW-UHFFFAOYSA-N 294.379 3.525 0 40 CHAB O=C(Nc1cccc(CO)c1)c1ccc(Cl)cc1Cl 8734216 MGVSIKCRXAXKDF-UHFFFAOYSA-N 296.153 3.738 0 40 CHAB N[C@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 19415911 YJRJMYZOAPKLFB-CYBMUJFWSA-N 269.241 3.893 0 40 CHAB in-vitro O=C([C@@H]1CCOC1)N1CCC[C@@H]1c1cccc2ccccc12 71834712 KLUXZOJIVMEHPP-CRAIPNDOSA-N 295.382 3.540 0 40 CHAB C[C@@H](CNCc1cccs1)Oc1ccc(Cl)cc1 19738134 QSNJJDBPSWJVHH-NSHDSACASA-N 281.808 3.959 0 40 CHAB CCCCC(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 9419703 UBFYPQQZLAQZJL-UHFFFAOYSA-N 299.374 3.744 0 40 CHAB CN(C(=O)Cc1cccc(Cl)c1)c1ccccc1 67793573 OKIYDVQNZJKUHR-UHFFFAOYSA-N 259.736 3.546 0 40 CHAB O=C(C[C@@H]1CCCO1)Nc1cccc(NC2CCCC2)c1 71910820 IVOQDTLTFUPNLT-INIZCTEOSA-N 288.391 3.549 0 40 CHAB FC(F)(F)c1ccc(CN(C[C@H]2CCCO2)C2CC2)cc1 72274595 MZMBEFHIOIXBJZ-OAHLLOKOSA-N 299.336 3.849 0 40 CHAB c1ccc2c(Oc3ccc(-n4cccn4)cc3)ncnc2c1 77985198 QCXWEUWARHROAB-UHFFFAOYSA-N 288.310 3.608 0 40 CHAB CC(C)CCC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl 84510120 KMVLOOXXHJYPCY-TZMCWYRMSA-N 265.784 3.748 0 40 CHAB COc1cc([C@H](C)Nc2cccnc2)ccc1SC 95969118 DFCRRGRWKLJGDW-NSHDSACASA-N 274.389 3.985 0 40 CHAB CC[C@@H](C)n1ncc(Br)c1COCC(C)C 408715677 CJTKWCKFTUACSZ-SNVBAGLBSA-N 289.217 3.789 0 40 CHAB CCOc1ccc(-c2nc3cc(N)cc(C)c3o2)cc1 70461469 HZBJMHMZYHRAFD-UHFFFAOYSA-N 268.316 3.784 0 40 CHAB CN(C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72212683 DCUQEPYYYKKNMG-GOSISDBHSA-N 295.430 3.875 0 40 CHAB CCNc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72213063 WGKHQEBYJKKLFC-KRWDZBQOSA-N 281.403 3.851 0 40 CHAB COc1c(C)cnc(CSc2ncc3ccccn23)c1C 78709034 KMJJYSJNGBFKNY-UHFFFAOYSA-N 299.399 3.647 0 40 CHAB CC[C@H](C)Oc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 225170587 BHVLXDWIQYEEEP-VBQJREDUSA-N 277.408 3.694 0 40 CHAB CCCc1ccc(C(=O)c2ccc(Cl)nc2)cc1 45038776 PXKKWKRBYUGTDY-UHFFFAOYSA-N 259.736 3.919 0 40 CHAB CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@@H]1c1ccco1 96445180 SLIIAIRXEVYBDX-LSDHHAIUSA-N 295.338 3.788 0 40 CHAB COc1ccc2c(C)cc(SC(F)F)nc2c1 96305861 WXZLVLRIKIZECO-UHFFFAOYSA-N 255.289 3.867 0 40 CHAB Clc1cnc(Oc2ccc(Br)cc2)nc1 93536292 BLSYXWYGLAKAGU-UHFFFAOYSA-N 285.528 3.685 0 40 CHAB O=C(Nc1cccc(-n2cccn2)c1)NC1CCCCCC1 48555010 YBNKOADRNHUQQT-UHFFFAOYSA-N 298.390 3.717 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)nc1 58342983 KXSPWZTYLYJPCH-INIZCTEOSA-N 295.386 3.548 0 40 CHAB CCOC(=O)c1cc2c(C(F)(F)F)cccc2o1 91252167 POOACSSGDJGIFG-UHFFFAOYSA-N 258.195 3.628 0 40 CHAB CC(C)Nc1cccc(F)c1NCc1noc(C2CC2)n1 97048097 JKQQHRAKZRCIOB-UHFFFAOYSA-N 290.342 3.519 0 40 CHAB COc1ccc(NC(=S)NC2CCCCC2)cc1Cl 6406556 GHFLLZXCHWUQOT-UHFFFAOYSA-N 298.839 3.968 0 40 CHAB Cc1cc2n(n1)[C@H](c1ccc(O)cc1)Nc1ccccc1-2 13123884 CKGOKJIATFRGOS-QGZVFWFLSA-N 277.327 3.537 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709306 WBQSAQLUZFLXIW-UONOGXRCSA-N 285.387 3.912 0 40 CHAB CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C(C)(C)C)C3 1346371 OHGNUSBQVVPIJY-VIFPVBQESA-N 290.432 3.698 0 40 CHAB Nc1ccc2oc(C34CC5CC(CC(C5)C3)C4)nc2c1 19806488 NCRNWHVKQUZJBK-UHFFFAOYSA-N 268.360 3.878 0 40 CHAB CN1CCc2ccccc2Oc2ccccc2CC1 33985429 NREYMNFZCFNECP-UHFFFAOYSA-N 253.345 3.509 0 40 CHAB investigational O=C(Nc1ccc(F)c(F)c1)c1ccc2ncsc2c1 2631426 QZQQGWMBILBNCT-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 32477428 BXUKTBPORAMBPM-GFCCVEGCSA-N 264.328 3.659 0 40 CHAB CCc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 32488314 VKVKGSGCMBOIJN-UHFFFAOYSA-N 264.328 3.983 0 40 CHAB C[C@@]1(O)N(c2ccc(Cl)cc2)C(=O)OC12CCCCC2 268437 LEAYJJUVIMJRNA-AWEZNQCLSA-N 295.766 3.708 0 40 CHAB CCCCCc1ccc(C(=O)CCCC(=O)OC)cc1 575358744 BLFXJUOLFXAZBQ-UHFFFAOYSA-N 276.376 3.945 0 40 CHAB CCc1nc(NC(=O)c2ccc(C)c(F)c2)sc1C 40118930 MAULYSGHYGJTKP-UHFFFAOYSA-N 278.352 3.714 0 40 CHAB C[C@H](CNc1cccc(-c2nnco2)c1)c1ccccc1 20187402 PMMGNVQAQADBIB-CYBMUJFWSA-N 279.343 3.952 0 40 CHAB CC(C)(C)Nc1ncnc2ccc(Br)cc12 143698 FPHKONPHDBUOGZ-UHFFFAOYSA-N 280.169 3.603 0 40 CHAB O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1 28765500 ALMJMOPIBISVHZ-UHFFFAOYSA-N 262.692 3.759 0 40 CHAB in-vitro CCOc1ccc(Cn2c(=O)sc3ccccc32)cc1 814288 WYARCHRXYWNBGK-UHFFFAOYSA-N 285.368 3.510 0 40 CHAB O[C@H]1c2cccc3cccc(c23)-c2nc3ccccc3n21 825626 LVBMDUWQXMHWDM-SFHVURJKSA-N 272.307 3.709 0 40 CHAB CCC[C@](C)(C(=O)c1ccccc1)N1CCCCC1 1622223 GTOCZCPMZCJJJG-QGZVFWFLSA-N 259.393 3.914 0 40 CHAB CCN(CC)CCOC(=O)c1c(C)c(C)c(C)c(C)c1C 1646514 BJYOURZCFNZUMX-UHFFFAOYSA-N 291.435 3.727 0 40 CHAB OCc1ccccc1-c1ccc(C(F)(F)F)cc1 2540442 WEAJOGVOHFUADZ-UHFFFAOYSA-N 252.235 3.865 0 40 CHAB CCN(CC)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 4743799 IEVVHMTWFAUOKJ-BFHYXJOUSA-N 255.402 3.926 0 40 CHAB O[C@@H](/C=C\c1ccccc1)CCN1CC[C@@H]2CC[C@@H](C2)C1 4934853 JYGDXORVNYESLN-MMLFBZMQSA-N 285.431 3.573 0 40 CHAB OCc1c(OCc2ccccc2)ccc2ccccc12 6889895 PAZQHWVTVIKESM-UHFFFAOYSA-N 264.324 3.911 0 40 CHAB COc1cccc(C(=O)c2ccc(Br)cc2)c1 2574646 XKJUSMRRMJSDMQ-UHFFFAOYSA-N 291.144 3.689 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1C1CCC1 102939776 UXXCXTWOLZWWNA-CQSZACIVSA-N 262.328 3.622 0 40 CHAB Cc1cnc(CSc2cc3c(cc2Cl)OCCO3)o1 89702357 DLHDQCJOWGQEBP-UHFFFAOYSA-N 297.763 3.700 0 40 CHAB Cc1cc(Cl)cc(C)c1NC(=O)N(C)[C@@H]1CCSC1 104318693 AYIHSHNRYASXJJ-GFCCVEGCSA-N 298.839 3.926 0 40 CHAB CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1 1693418 LQLQDKBJAIILIQ-UHFFFAOYSA-N 278.348 3.600 0 40 CHAB COc1cccc2cc([C@H](C)NC(=O)CC(C)C)oc12 25139355 ICBJAOZGAPUTSN-NSHDSACASA-N 275.348 3.665 0 40 CHAB C[C@@H](O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133293 GBSZHPXEZROSRP-SSDOTTSWSA-N 290.672 3.598 0 40 CHAB CCn1c(SC(=O)Cc2ccccc2)nc2ccccc21 408692591 QCCGBAOZLAUASI-UHFFFAOYSA-N 296.395 3.918 0 40 CHAB S=C(NNc1ccc2ccccc2c1)NC1CCCCC1 3281026 NFNTVINKRQXSOP-UHFFFAOYSA-N 299.443 3.964 0 40 CHAB Cn1ccc2c(C(=O)Nc3ccc4cc[nH]c4c3)cccc21 36370028 CFHHCEDGBKWJET-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic CC(C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 3645064 ROQJDMYDPFGLEK-UHFFFAOYSA-N 257.333 3.612 0 40 CHAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F 4015511 ZTCQEOTWIFXSDO-QGZVFWFLSA-N 282.318 3.523 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(OC(F)(F)F)cc1 39978430 XBPQJWVJJWFMHI-SNVBAGLBSA-N 285.265 3.880 0 40 CHAB c1ccc(CSc2nnc3c4ccccc4ncn23)cc1 4537019 QXQROHZZABCJHP-UHFFFAOYSA-N 292.367 3.570 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 4613863 KQIKUEMEPOYEBC-ATZDWAIDSA-N 293.410 3.928 0 40 CHAB COc1cc2[nH]c(C)c(C)c2c2c(C)cc(C)nc12 4709049 MHYPHHNKZPXUAH-UHFFFAOYSA-N 254.333 3.958 0 40 CHAB CN1O[C@@H](c2ccc(Cl)cc2)C[C@@]1(C)c1cccnc1 90487503 DHTJFQWHCVTNRY-CVEARBPZSA-N 288.778 3.959 0 40 CHAB in-vitro Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(N)c2C)c1 19736301 LAQGVHCUQOJQBD-AWEZNQCLSA-N 298.386 3.600 0 40 CHAB Fc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)c(F)c1 9364160 DRSIZHNBMWOHCS-JTQLQIEISA-N 296.342 3.679 0 40 CHAB O=c1ccn(CCCc2ccccc2)c2ccccc12 84528649 OEEAKULUZFJJIN-UHFFFAOYSA-N 263.340 3.634 0 40 CHAB COc1ccc([C@@H](C)Nc2ncnc3sccc23)cc1 88218768 DRQCOPGTNCPOJT-SNVBAGLBSA-N 285.372 3.873 0 40 CHAB CC(=O)[C@H](C)Sc1ccccc1Br 35046879 HTWVXDHXHMGQOX-QMMMGPOBSA-N 259.168 3.519 0 40 CHAB Cc1nc2cc(C(=O)N3CCCCCC3)ccc2s1 408979190 PTRMWICOMHTIRO-UHFFFAOYSA-N 274.389 3.621 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1 72331489 YPGVZXLVPBXMOQ-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1ccc(Br)s1 32968949 YJYSDSMLQFPZFS-MRVPVSSYSA-N 288.210 3.525 0 40 CHAB FC(F)(F)c1ccc(-c2c[nH]nc2[C@H]2CCCNC2)cc1 72379967 JVMCJODKCQOQOG-NSHDSACASA-N 295.308 3.563 0 40 CHAB C[C@H](NCc1nccn1C(F)F)c1cc2ccccc2o1 189090567 RAXFLKYQVIIYEH-JTQLQIEISA-N 291.301 3.875 0 40 CHAB CC(C)CN(CC(C)C)C(=O)C1C(C)(C)C1(C)C 71415950 VJOPDUGRMQXZLA-UHFFFAOYSA-N 253.430 3.809 0 40 CHAB CCCNC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225259754 GLHOJJTURRBLDW-UHFFFAOYSA-N 293.370 3.678 0 40 CHAB Cc1ccccc1COc1ccc(CO)cc1Cl 43490289 MYTOJYSMEZWGGM-UHFFFAOYSA-N 262.736 3.720 0 40 CHAB Cc1cc(Cl)cnc1NC(=S)NC1CCCCC1 224037789 QAUUJQHPYIYNMT-UHFFFAOYSA-N 283.828 3.663 0 40 CHAB Nc1cccc(-c2cnc(-c3ccccc3F)o2)c1 226102870 JAXYXBXBOMKUGP-UHFFFAOYSA-N 254.264 3.730 0 40 CHAB CCN(CCCC(=O)O)c1cccc(Cl)c1Cl 224993734 OUHJIXDXENZKAC-UHFFFAOYSA-N 276.163 3.685 0 40 CHAB Clc1ccc(NCc2nc(C3CC3)no2)c(Cl)c1 48657192 UDUMCRWMJKNJLK-UHFFFAOYSA-N 284.146 3.866 0 40 CHAB C[C@H](S[C@H](C)CCO)c1ncc(C(C)(C)C)o1 96447791 YIYFXCQXNVNHPZ-ZJUUUORDSA-N 257.399 3.537 0 40 CHAB CCn1cc(-c2cc(Cl)nc(-c3ccccc3)n2)cn1 96524141 AIRKHAHIMVCOOP-UHFFFAOYSA-N 284.750 3.680 0 40 CHAB Cc1ccccc1C(=O)Nc1ccc2ncccc2c1 60788231 FJOMTONSHJIIJG-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)cc2C)cc1OC 95916445 JROHTPKAGRMADE-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB O=C(c1cccc(C(F)(F)F)c1)C(F)(F)Cl 163986924 HLUPPTGKFKZFNL-UHFFFAOYSA-N 258.573 3.720 0 40 CHAB CO/C=C(\F)C(=O)Nc1ccccc1-c1ccccc1 196471915 YJSJCRNSMUXDHY-KAMYIIQDSA-N 271.291 3.749 0 40 CHAB CC[C@H](C)NC(=S)Nc1ccc(Br)cc1 13820793 HEPYVTSPVSJYBA-QMMMGPOBSA-N 287.226 3.534 0 40 CHAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccccc1Cl 19287498 BRIMBVNNBNSQCR-DYVFJYSZSA-N 299.805 3.700 0 40 CHAB CCS[C@@H]1c2ccccc2C(=O)N1CCC(C)C 19798370 YLZBXMGIFNIZDS-OAHLLOKOSA-N 263.406 3.940 0 40 CHAB COc1ccccc1[C@H]1CCCC[C@H]1SCC(=O)O 1653756 BRCAEQAGGCZOHW-TZMCWYRMSA-N 280.389 3.539 0 40 CHAB CCC[C@@H](NC(=O)/C=C/c1ccccn1)c1ccccc1 47519609 VREGITFYYRLVRN-GZKZCVOOSA-N 280.371 3.752 0 40 CHAB CCCC[C@H](CC)C(=O)c1cccc(C(=O)OC)c1 575362228 AQQNJGIWIYMIJN-LBPRGKRZSA-N 262.349 3.872 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(C)cc1Cl 575361440 FNTIAOFBSJZKHD-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB Cc1[nH]ccc(=O)c1OCc1ccc(Cl)cc1Cl 8615087 ADYDVUVRSUDGRW-UHFFFAOYSA-N 284.142 3.569 0 40 CHAB S=C(Nc1ccccc1Cl)NC1CCCCC1 13787099 RXBSYDOUTYQWJA-UHFFFAOYSA-N 268.813 3.959 0 40 CHAB CCOc1ccccc1CN(C)C(=O)c1ccc(CC)o1 40155959 LNGLRXRODCDPKT-UHFFFAOYSA-N 287.359 3.513 0 40 CHAB Fc1ccc(-c2cn3nc(C(F)(F)F)sc3n2)cc1 145186 KMEAGXUDTAVJFF-UHFFFAOYSA-N 287.241 3.616 0 40 CHAB CCc1ccccc1NC(=O)Cc1cccc2cccnc12 40481136 FAAKLJADUVSRGH-UHFFFAOYSA-N 290.366 3.978 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1ccc(OC(F)F)cc1 7407020 ZPJVBSVOFUJAAU-UHFFFAOYSA-N 295.260 3.608 0 40 CHAB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(N)c1 874332 SJEDXBUETNVSRD-UHFFFAOYSA-N 298.386 3.827 0 40 CHAB CC1(C)C(=O)c2nc3ccccc3nc2-c2ccccc21 1578757 UWWTZZIWMRLDJC-UHFFFAOYSA-N 274.323 3.771 0 40 CHAB COc1cccc(NC(=O)c2cc3sccc3n2C)c1 4971089 RNGQKJDAFVWPGS-UHFFFAOYSA-N 286.356 3.501 0 40 CHAB Cc1nc2ccccc2c(C)c1S(=O)(=O)c1ccccc1 6714358 NHMKTYZLVIWZSX-UHFFFAOYSA-N 297.379 3.684 0 40 CHAB Cc1ccc(NC(=O)[C@]23CC[C@H](C2)C(C)(C)C3=O)c(C)c1 352923 QAAXOJXLDCDAKL-FZKQIMNGSA-N 285.387 3.637 0 40 CHAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCCCCCC1 8338932 VLACMZYDHRFZDK-GFCCVEGCSA-N 296.361 3.558 0 40 CHAB Clc1snnc1CN1CCC[C@@H]1c1cccs1 52916704 WEDFHWOCWITJJJ-SECBINFHSA-N 285.825 3.590 0 40 CHAB O=C(Nc1cnc(C2CC2)nc1)c1cc2c(s1)CCCC2 103020867 XOCBUKUUGVUNCD-UHFFFAOYSA-N 299.399 3.547 0 40 CHAB Fc1ccc(-c2n[nH]cc2CNCc2cccc(F)c2)cc1 42201742 CKNVCTHYYYRDSW-UHFFFAOYSA-N 299.324 3.645 0 40 CHAB O=C(CCSc1ccccc1)N1CCc2ccccc2C1 50080848 DXDZFJIWBGDHQK-UHFFFAOYSA-N 297.423 3.754 0 40 CHAB O=C(O)CCCCCCCCC(=O)OCc1ccccc1 34257273 RARFDGQRJGLQCZ-UHFFFAOYSA-N 292.375 3.935 0 40 CHAB COc1ccccc1CNc1cccc2cnccc12 35038599 MFCNEKPAKPOAEE-UHFFFAOYSA-N 264.328 3.856 0 40 CHAB in-vitro CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1cnn(C)c1 12622569 RHSJOXRDWMDIEM-WTNCMQEWSA-N 283.375 3.586 0 40 CHAB Cc1csc(NC(=O)c2ccccc2C(F)(F)F)n1 3346932 VDMRVRWSUHYYHS-UHFFFAOYSA-N 286.278 3.723 0 40 CHAB O=C(Nc1cccc2ncccc12)[C@H]1CC=CCC1 12873616 CKLYERIOPDXSAE-LBPRGKRZSA-N 252.317 3.530 0 40 CHAB COc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1 12871184 JOOPYMOUDFLCNF-MRXNPFEDSA-N 299.395 3.659 0 40 CHAB COC[C@H](C)Nc1nc(-c2ccccc2Cl)cs1 3455766 DQTRDPQXGSKYIM-VIFPVBQESA-N 282.796 3.910 0 40 CHAB CN(C(=O)c1ccc(Cl)s1)c1ccccc1 12977126 XRZINIFWVXGVLT-UHFFFAOYSA-N 251.738 3.678 0 40 CHAB O=C(c1cc2ccccc2cc1O)N1CCCCCCC1 12940091 QGYVKDMNLUWYIL-UHFFFAOYSA-N 283.371 3.952 0 40 CHAB Cc1cc(C)c(C(=O)Nc2nc3ccccc3[nH]2)c(C)c1 7942451 JEHLLLJMFBBQRA-UHFFFAOYSA-N 279.343 3.740 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 16301186 BWYXDTLBTZIXCQ-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB CC(=O)Nc1ccc(-c2csc(NC(C)C)n2)c(F)c1 8225393 NLKZTWXPXBVUHX-UHFFFAOYSA-N 293.367 3.728 0 40 CHAB O=C(Nc1ccc2ncccc2c1)c1ccccc1F 18192718 JRITXGMMLIZAAL-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB CCSc1nc2cc(Cl)ccc2c(=O)n1C(C)C 6849014 KUTXQVFMJBZUJR-UHFFFAOYSA-N 282.796 3.743 0 40 CHAB COc1ccc(-c2nnc([C@@H](C)Nc3ccccc3)o2)cc1 9835062 IVOYLVSVIMXVRU-GFCCVEGCSA-N 295.342 3.918 0 40 CHAB Fc1ccc2ncnc(NCCc3ccccc3F)c2c1 97497462 GUVRFJHFJCJTAI-UHFFFAOYSA-N 285.297 3.563 0 40 CHAB CC(=O)c1ccccc1C(=O)Nc1ncc(C(C)C)s1 74060291 ZKXNLZWJOYIXBR-UHFFFAOYSA-N 288.372 3.721 0 40 CHAB CCCn1c(-c2ccccc2)c(Cl)nc(Cl)c1=O 62714102 JYVNAYZNYPKTDD-UHFFFAOYSA-N 283.158 3.627 0 40 CHAB Cc1ccc2[nH]c([C@H]3CCN(Cc4cccs4)C3)nc2c1 35446570 ISJFNOURGWKQRY-ZDUSSCGKSA-N 297.427 3.922 0 40 CHAB biogenic,in-vitro CCCCN1CCCC[C@@H]1c1ccc(S)nc1 72217025 QRHUSMKDWZNPFM-CYBMUJFWSA-N 250.411 3.697 0 40 CHAB COc1cccc(-c2cc(Cl)nc(C3CC3)n2)c1 78401398 WMFKAOIDCDJTHI-UHFFFAOYSA-N 260.724 3.683 0 40 CHAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2)cc1 219485660 FBJPASYLTWVDDR-MRXNPFEDSA-N 297.398 3.511 0 40 CHAB O=C(c1ccccc1)c1ccc(NCc2ccccc2)nc1 72225344 PWAGSAMUEPTGDT-UHFFFAOYSA-N 288.350 3.925 0 40 CHAB O=C(NCCCc1cccc2ccccc12)c1cccnc1 225433135 GBWUBXCZEJHBQM-UHFFFAOYSA-N 290.366 3.597 0 40 CHAB Cc1ccc2ncc(CCNCc3ccccc3)cc2c1 521398104 FNELHJUUVUORCJ-UHFFFAOYSA-N 276.383 3.876 0 40 CHAB CCCc1cc(Br)ccc1OC1CCNCC1 42774472 VCYWUAFYCHAPOL-UHFFFAOYSA-N 298.224 3.532 0 40 CHAB Cn1cccc1CN[C@H]1CC(C)(C)Oc2cc(F)ccc21 89917934 NJEFZUUWYOFUQN-HNNXBMFYSA-N 288.366 3.556 0 40 CHAB COc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225608580 GXBOEHBJTCPPMD-KRWDZBQOSA-N 293.407 3.702 0 40 CHAB CC[C@H](C(=O)O)N(CC)c1cccc2ccccc12 224986287 IHQZJQQRDLLELY-CQSZACIVSA-N 257.333 3.529 0 40 CHAB O=Cc1cccc(OCc2ccc(Cl)c(F)c2)c1 95738614 KYKDOVJQUKCVJE-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB Cc1nc(N)sc1-c1ccnc(C2(C)CCC2)c1 95629715 NGEFVENODPUSOJ-UHFFFAOYSA-N 259.378 3.537 0 40 CHAB CCc1cccc2c(Cl)c3c(C)nn(C)c3nc12 255189629 REKRFNVRGHKKRD-UHFFFAOYSA-N 259.740 3.646 0 40 CHAB CC(C)(C)SCCNC(=O)c1ccccc1N=[N+]=[N-] 199614869 AGUBCPLRQKBOLQ-UHFFFAOYSA-N 278.381 3.890 0 40 CHAB O=C(/C=C/c1ccccc1)NC1C2CC3CC(C2)CC1C3 568766 QZAGZILJCOACRT-VOTSOKGWSA-N 281.399 3.641 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1F 5511931 RVICPOJNFXRLTQ-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB Cc1cc(N)c(NCCCc2ccccc2)cc1C 167138803 BARZXHGNBFQBDQ-UHFFFAOYSA-N 254.377 3.930 0 40 CHAB Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 37719693 CZRAMJQALFPNAX-UHFFFAOYSA-N 285.778 3.905 0 40 CHAB in-vitro Cc1ccc(C(=S)NCCc2ccccc2)cc1 1443853 OINABSHTYBVDTF-UHFFFAOYSA-N 255.386 3.503 0 40 CHAB Cc1ccc(-c2nnc(NC(=O)c3cccs3)o2)c(C)c1 4479439 ZEVZZELSXZOBHP-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB COc1ccccc1[C@H]1CCCC[C@@H]1SCC(=O)O 4974741 BRCAEQAGGCZOHW-OCCSQVGLSA-N 280.389 3.539 0 40 CHAB O=C(COCc1ccccc1)c1cc(F)c(F)cc1F 309804420 TUJFJJBDRTWFEM-UHFFFAOYSA-N 280.245 3.503 0 40 CHAB O=C(CCSc1ccccc1)NCCc1ccsc1 46243310 MQPOGVMAHYORPG-UHFFFAOYSA-N 291.441 3.589 0 40 CHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\Nc1ccccc1 17111263 QHDIQUPRARUDMD-UVTDQMKNSA-N 298.729 3.597 0 40 CHAB CCC[C@@H](C)NC(=O)Nc1cccc2ncccc12 40023788 ISLXLFNRKYKOCM-LLVKDONJSA-N 257.337 3.545 0 40 CHAB O=C(CCC1CCCCC1)N1CCn2c1nc1ccccc12 30661160 JIIXULSSAXPBED-UHFFFAOYSA-N 297.402 3.743 0 40 CHAB Cc1cccc(OCc2nnc(-c3ccc(F)cc3)o2)c1 33604 FRAINVGBBRCWPC-UHFFFAOYSA-N 284.290 3.763 0 40 CHAB COc1cc([C@@H]2OC[C@@H]3[C@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1O 519426 SOHWVJPJRLXISV-AJIBAPKUSA-N 288.387 3.937 0 40 CHAB biogenic COCc1cccc(C(=O)Nc2ccc(C)c(F)c2)c1 8077768 WJSQNLNVFUAUKL-UHFFFAOYSA-N 273.307 3.533 0 40 CHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F 1904900 HDHHCZJGICPRAU-UHFFFAOYSA-N 291.578 3.860 0 40 CHAB Cc1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 278962 AOCXQRAZWZBOCN-UHFFFAOYSA-N 282.368 3.786 0 40 CHAB C[C@@]12CCO[C@@H]1N(c1ccccc1)c1ccccc12 264438 LYEMDWOVMXRHTL-IRXDYDNUSA-N 251.329 3.842 0 40 CHAB CCC(=O)Nc1nc2cc(Cl)c(C)cc2s1 386319 OARVWIXCJKNFHW-UHFFFAOYSA-N 254.742 3.607 0 40 CHAB CC(C)CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 364400 LKGZEEOCFOAVDO-UHFFFAOYSA-N 281.355 3.902 0 40 CHAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)nc2)cc1 32754141 BWGDPRCDBYZNTP-KRWDZBQOSA-N 280.371 3.676 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccccc1Cl 20885903 UBFBVMUCELTCIK-GFCCVEGCSA-N 285.774 3.860 0 40 CHAB Cc1ccc(-c2ccc(OCc3nccc(N)n3)cc2)cc1 89641053 XRXZOCATVYSWFO-UHFFFAOYSA-N 291.354 3.613 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1F 514092 YMSAKQMDMJDICS-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB CC(C)CCCNC(=O)N[C@H]1CCCc2ccccc21 23143656 HUMJYMGZBJPOIS-INIZCTEOSA-N 274.408 3.799 0 40 CHAB Clc1cc(Cn2cc(-c3ccccc3)cn2)ccn1 54961350 WEXAMEODZMFQPT-UHFFFAOYSA-N 269.735 3.647 0 40 CHAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1C 22250651 PNGDMANYOMLEOL-UHFFFAOYSA-N 291.297 3.924 0 40 CHAB O=C(Nc1ccccc1N1CCCCCC1)c1ccncc1 12790923 ULGACGMPKDVBSZ-UHFFFAOYSA-N 295.386 3.714 0 40 CHAB O=C(Cc1coc2cc3c(cc12)CCC3)NC1CCCCC1 3451047 PSARINMXROILGH-UHFFFAOYSA-N 297.398 3.913 0 40 CHAB CC1CCN([C@@H](C)C(=O)Nc2cccc3ccccc23)CC1 8470879 GRAMBRXYCUJNBK-HNNXBMFYSA-N 296.414 3.899 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1c[nH]c2ccccc12 14121431 YPRZWKQWZUJAFJ-UHFFFAOYSA-N 276.339 3.909 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccccc1O 5483464 MNGLEAPVVRTUSJ-GHXNOFRVSA-N 271.703 3.538 0 40 CHAB O=C(CCC1CCCCC1)Nc1nc2ccccc2[nH]1 5942336 DUIDIJLCXWFDBM-UHFFFAOYSA-N 271.364 3.862 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1 15389197 MFGKYUMBXJUOGE-GFCCVEGCSA-N 287.334 3.715 0 40 CHAB CC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 7785396 GSIIDGQQCHAHOQ-UHFFFAOYSA-N 284.142 3.818 0 40 CHAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(-c2ccccc2O)n1 18208467 ODRLNZFAGQVHGI-BETUJISGSA-N 297.402 3.640 0 40 CHAB O=C(Nc1cccc2ccccc12)[C@@H]1CC1(Cl)Cl 8983981 XHBPJJRKUIZBIL-NSHDSACASA-N 280.154 3.972 0 40 CHAB Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NC2CC2)cc1 84148724 UTWKJICKIWLHKW-CJNGLKHVSA-N 272.392 3.640 0 40 CHAB CCc1oc(C(=O)N2Cc3ccccc3OC[C@@H]2C)cc1C 97082900 NZAGODKFDXEJBV-ZDUSSCGKSA-N 299.370 3.574 0 40 CHAB O=C(Nc1ccccc1Cl)c1ccc2cnncc2c1 408979688 RQQYUIIIUCFBIR-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1 30753025 BYLAPWNKSIJHHU-YFTXEMMHSA-N 299.345 3.725 0 40 CHAB CCC[C@@H](C)N(C)Cc1c[nH]nc1-c1ccccc1F 506995252 QXWPAKVNGICOPP-GFCCVEGCSA-N 275.371 3.836 0 40 CHAB CC(C)(C(=O)O)[C@H](c1ccccc1)[C@@H]1CCCCC1=O 3850129 AJVFOGGGBHLTOF-UKRRQHHQSA-N 274.360 3.640 0 40 CHAB biogenic CSc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72216888 PEEOTEXBERXQCZ-HNNXBMFYSA-N 298.411 3.781 0 40 CHAB COc1ccc(C(C)C)cc1C(=O)NC1CCCCC1 72206525 DFDVNOXKDNKQAG-UHFFFAOYSA-N 275.392 3.881 0 40 CHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H]1CCCNC1 42774927 HMURCQJHEBYPBB-CQSZACIVSA-N 261.409 3.671 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2)cc1 49909632 QVTGLQPDBBUOKK-INIZCTEOSA-N 297.398 3.511 0 40 CHAB CC1CCC(C(=O)c2ccc(C(=O)N3CCCC3)cc2)CC1 80340461 KGZBNHUIYWPLIM-UHFFFAOYSA-N 299.414 3.932 0 40 CHAB CC[C@@H](C)Oc1ccc(NC(=O)C(F)(F)F)cc1C 225587684 IWIQHPAYKKHTNL-SECBINFHSA-N 275.270 3.673 0 40 CHAB c1coc(CN[C@@H]2CCCSc3ccccc32)c1 95419187 SPERLRJDECKECP-CQSZACIVSA-N 259.374 3.996 0 40 CHAB CCC[C@H](Oc1ccc(/C=C/c2ccccc2)nc1)C(=O)O 256053910 UDIWXZVIZRENIG-FVNWOWOISA-N 297.354 3.884 0 40 CHAB COc1ccc([C@H](C)NCc2sc(C)nc2C)c(F)c1 95968555 UOUUWZFFKDKRBH-VIFPVBQESA-N 294.395 3.758 0 40 CHAB Cc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 14790095 MDNHHWZCCXMURY-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB Nc1cccc(/C=C(\C(=O)O)c2ccc(Cl)cc2)c1 17013311 QIACOQUFCZWFHW-ZROIWOOFSA-N 273.719 3.547 0 40 CHAB Cc1cccc(NC(=O)C2[C@H]3CCC=CCC[C@H]23)c1 18284316 LSADUGVIPYIOCK-GJZGRUSLSA-N 255.361 3.926 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)ccc1F 19074465 IALSMKVSTZCSFX-UHFFFAOYSA-N 291.341 3.663 0 40 CHAB Cc1cc2cc3cc(C(=O)O)sc3nc2cc1C 19898305 IOCZHUJWFCSJLR-UHFFFAOYSA-N 257.314 3.765 0 40 CHAB c1cc[n+](Cc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 152684 YODBLJMRVOIXGC-UHFFFAOYSA-N 286.358 3.566 0 40 CHAB Cn1cccc1C(=O)OCc1ccc(C(C)(C)C)cc1 2648845 ISOBDHSGDXYEGK-UHFFFAOYSA-N 271.360 3.680 0 40 CHAB CC(C)(C)c1n[nH]c2cc([C@H]3CCCCN3)ccc12 1857787034 YTTLNTQXRBUAFO-CYBMUJFWSA-N 257.381 3.675 0 40 CHAB c1ccc2c(NCc3ccc4c(c3)OCO4)nsc2c1 9951962 DVNGZEJOEPEOLJ-UHFFFAOYSA-N 284.340 3.637 0 40 CHAB Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2)c1 76717 MPEVFYRJSVBDRZ-UHFFFAOYSA-N 290.366 3.675 0 40 CHAB Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccccc1 40107398 XMUVWISLKMIHJU-UHFFFAOYSA-N 298.367 3.988 0 40 CHAB CC(=O)NC1CCN([C@@H](C)c2cccc3ccccc23)CC1 50989644 FDRRCBNDSBSBRB-AWEZNQCLSA-N 296.414 3.501 0 40 CHAB C[C@@]12CCC(=O)C[C@@H]1CCC1=C2CC[C@@H]2C(=O)CC[C@H]12 3843936 ZWHSPFDZONRAGT-KSBHJAGGSA-N 272.388 3.841 0 40 CHAB CC(C)(C)NC(=S)Nc1ccc(OC(F)(F)F)cc1 6238685 PBCWKSLZTMKDGN-UHFFFAOYSA-N 292.326 3.670 0 40 CHAB OC1=NC(=S)S/C1=C/c1cccn1-c1ccccc1 9088442 DLAQFBYDBMSXHG-FMIVXFBMSA-N 286.381 3.806 0 40 CHAB CC[C@@H](C)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 6698687 PCNRZEGSQOPSIY-WWGRRREGSA-N 290.407 3.889 0 40 CHAB CCCc1cc(O)n2nc(C)c(-c3ccc(F)cc3)c2n1 100163318 PLCGCXITVSNBKI-UHFFFAOYSA-N 285.322 3.502 0 40 CHAB CC[C@@H](C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 32895526 BVDRLUUODRXIOK-GFCCVEGCSA-N 286.375 3.580 0 40 CHAB C[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O 488414 PIQARLQHRWXSLS-KZULUSFZSA-N 282.387 3.588 0 40 CHAB biogenic CCn1nc(C)c2nc(C)nc(N[C@@H](C)c3ccccc3)c21 57355266 DJNDPXLJMAGTCP-NSHDSACASA-N 295.390 3.636 0 40 CHAB Cc1cc(Oc2cccc(O)c2)nc(-c2ccccc2)n1 12409665 KFAWUDYRDFGOGJ-UHFFFAOYSA-N 278.311 3.950 0 40 CHAB COC(=O)C[C@@]1(C)O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21 102806700 WNVJVFWHEQPCPV-KCYZZUKISA-N 278.392 3.624 0 40 CHAB O=C(Oc1cc(-c2ccccc2)no1)c1ccc(F)cc1 1386454 MBAMXXPBZRPVRF-UHFFFAOYSA-N 283.258 3.700 0 40 CHAB C[C@H](CN1CCCCC1)Nc1nc2ccccc2s1 47873393 FKMDFAOYUGNJPD-GFCCVEGCSA-N 275.421 3.583 0 40 CHAB CCCCC1CCC(C(=O)NC[C@H]2CCCOC2)CC1 55920370 IATHZPDIIVWXKI-HWOWSKLDSA-N 281.440 3.526 0 40 CHAB CCOC(=O)c1ccc(Nc2ncnc3sccc23)cc1 3332879 GMNGSROEUWPDQQ-UHFFFAOYSA-N 299.355 3.612 0 40 CHAB O=C(c1ccc[nH]1)c1cc2cc(Br)ccc2o1 3354766 AUTUDQVJQLGOBB-UHFFFAOYSA-N 290.116 3.754 0 40 CHAB CC[C@H]1CCCCN1Cc1nccn1Cc1ccccc1 58419639 YSXGVNJZWQEUSH-KRWDZBQOSA-N 283.419 3.696 0 40 CHAB CC(=O)Nc1cccc(NC(=O)CCC2CCCC2)c1 12772328 KYZRHZPEFUVQPL-UHFFFAOYSA-N 274.364 3.554 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1ccccc1 2378844 XAKVVZAGGMULBC-UHFFFAOYSA-N 262.349 3.773 0 40 CHAB CC[C@@H](C)C(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C 12855564 CVLXCKGVQHZMNI-KGLIPLIRSA-N 299.418 3.712 0 40 CHAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 12906562 LEBSLYRGEZNHQI-GOSISDBHSA-N 293.366 3.948 0 40 CHAB CNC(=O)N1c2ccccc2Sc2ccccc21 13717066 VBZPZJCWSNLVCY-UHFFFAOYSA-N 256.330 3.629 0 40 CHAB in-vivo CNc1nc(-c2ccc(NC(=O)CC(C)C)cc2)cs1 5156797 VDASSAMAJBVMBY-UHFFFAOYSA-N 289.404 3.836 0 40 CHAB C[C@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 5466328 AXVWPVJKFLHNTA-CYBMUJFWSA-N 271.335 3.636 0 40 CHAB CC[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1OC 27130719 PSHKEORNUWMRBK-HIFRSBDPSA-N 273.376 3.619 0 40 CHAB COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1OC 6790854 CJRUHHWPHIOAFT-ZDUSSCGKSA-N 299.370 3.836 0 40 CHAB C[C@@H](N)Cc1cn(Cc2ccccc2)c2ccccc12 4959767 GDRWQEOJSGTFNQ-CQSZACIVSA-N 264.372 3.579 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1F 15576480 YCEXTAYYUWTQQH-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB Cc1ccc(-c2nc(C(=O)Nc3ccccn3)cs2)cc1 9368856 BLCSQBIQUDRPBY-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB COc1ccc(-c2n[nH]c(S[C@@H]3C=CCCC3)n2)cc1 83950112 XQRDDTPZVCWRPH-CYBMUJFWSA-N 287.388 3.681 0 40 CHAB C/C(=C\c1ccccc1)CNC[C@@H]1CCCn2cc(C)nc21 98052807 LNNPJIYSOMRKNJ-OTMARIDSSA-N 295.430 3.762 0 40 CHAB C[C@H](NCc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 95941252 UTDUOJLPLQSION-LBPRGKRZSA-N 290.407 3.922 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC1CCCC1 20460618 TZCCFVVPSZCCHD-OAHLLOKOSA-N 275.392 3.520 0 40 CHAB COC(=O)C(C)(C)[C@H](c1ccccc1)[C@@H]1CCCCC1=O 3850134 ITXQPFPWSIBFQG-GDBMZVCRSA-N 288.387 3.729 0 40 CHAB biogenic CCC(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N 216865081 DNNMJZUXQMPDGO-CHWSQXEVSA-N 289.423 3.693 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1CC[C@@H]1CCCCN1 211626002 RMFTVQFBERWPGY-GJZGRUSLSA-N 296.455 3.698 0 40 CHAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(N)cc2Br)C1 37515909 DYZRRTDXJJNUOE-GHMZBOCLSA-N 297.240 3.509 0 40 CHAB CCC(=O)c1cnc(N(C)c2ccccc2)c(C)c1 72222300 PFCMFMZLETWKEF-UHFFFAOYSA-N 254.333 3.751 0 40 CHAB CCN1CC=C(c2nc3ccc(C)cc3s2)CC1 73638457 GNRSGMWCHRKVBR-UHFFFAOYSA-N 258.390 3.714 0 40 CHAB Cc1ccc(NC(=S)NCCCc2ccco2)cc1 225804153 IVPNCBJCQFXYFE-UHFFFAOYSA-N 274.389 3.507 0 40 CHAB Cc1ccc(-n2cnc(C)c2C)c(Br)c1 225793442 OALQYEBPLMZROF-UHFFFAOYSA-N 265.154 3.560 0 40 CHAB CN(C(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 225203070 KYCUICAQGKLRKS-UHFFFAOYSA-N 295.382 3.607 0 40 CHAB O=C(O)C1(Cc2ccccc2F)CCC(F)(F)CC1 83351191 NZVMMUMJVAQKLD-UHFFFAOYSA-N 272.266 3.649 0 40 CHAB Cc1ccc(F)c(C(=O)C(F)(F)F)c1Br 75925208 YSXOJHHBLDVREV-UHFFFAOYSA-N 285.034 3.642 0 40 CHAB COCc1ccc2ccccc2c1C(=O)C(F)(F)F 43505053 ZPINRKWFSGVTJW-UHFFFAOYSA-N 268.234 3.731 0 40 CHAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1 225642601 MCOLAKYJRDHINH-PXAZEXFGSA-N 291.391 3.618 0 40 CHAB COc1cccc2cc(C(=O)N3CCC(=C4CC4)CC3)oc12 238936734 VOOKTBJSBKEZDC-UHFFFAOYSA-N 297.354 3.768 0 40 CHAB Clc1cc2c(nc1Cl)CCN(Cc1ccccc1)C2 96511325 DGJYZGVEAURUTF-UHFFFAOYSA-N 293.197 3.947 0 40 CHAB Cc1cc(CO)cc(C)c1OC(=O)c1cccc(Cl)c1 256051586 JTJWTBFGQZEZLT-UHFFFAOYSA-N 290.746 3.668 0 40 CHAB O=C(COCc1ccccc1)c1ccccc1OC(F)F 381898551 GOXIKJRPSJOHIK-UHFFFAOYSA-N 292.281 3.688 0 40 CHAB Cc1ccc(C(C)(C)NC(=O)c2ccc3[nH]ccc3c2)cn1 390834484 ZOJLJNRMFROPQM-UHFFFAOYSA-N 293.370 3.536 0 40 CHAB Cc1ccc2cc3c(nc2c1)OCCN(C1CCCC1)C3 72392469 PJNOXHWSTZKGOD-UHFFFAOYSA-N 282.387 3.680 0 40 CHAB COc1cc(C)c(NC(=O)/C=C/c2ccccc2)cc1OC 5616759 KCQYRHVRINHAGP-MDZDMXLPSA-N 297.354 3.664 0 40 CHAB COc1cc(C)c(NC(=O)c2ccccc2C)cc1OC 12982708 GIPXWOZUJDINCP-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(C)cc1 14602586 SSXVPWURYFSUTN-MRXNPFEDSA-N 283.371 3.885 0 40 CHAB c1ccc([C@@H]2[C@@H](NC[C@@H]3CCOC3)[C@@H]3CCCC[C@H]32)cc1 19373870 BGTSCRBVFFYYHM-DZRGKWQISA-N 285.431 3.585 0 40 CHAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN 140725 GXWTUBXFAHMHIY-UHFFFAOYSA-N 280.371 3.557 0 40 CHAB in-vitro O=C(c1ccc(F)cc1)c1c(F)c(F)c(F)c(F)c1F 36302276 OSOMKMFLRUEJHS-UHFFFAOYSA-N 290.162 3.752 0 40 CHAB CC(C)OCCCNC(=O)Nc1cccc2c1CCCC2 40023840 FMLHRCFRFSPKDK-UHFFFAOYSA-N 290.407 3.502 0 40 CHAB CC(C)n1cnnc1SCc1ccccc1OC(F)F 40051836 YXCNWQDKFXCTDF-UHFFFAOYSA-N 299.346 3.753 0 40 CHAB O=C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1 47437 KOIRFNQRSJGKSY-UHFFFAOYSA-N 273.719 3.552 0 40 CHAB Fc1cccc([C@H]2NN=C(c3ccccc3)S2)c1 342209 NLPVJXFOKCOJJY-AWEZNQCLSA-N 258.321 3.523 0 40 CHAB CC(=O)c1cccc(NC(=S)N[C@H]2CCCC[C@@H]2C)c1 7528427 UGJWSICJEZICSU-NHYWBVRUSA-N 290.432 3.754 0 40 CHAB CCc1ccccc1NC(=S)NCc1ccccc1 7561177 FNDQCHLLPNIEOL-UHFFFAOYSA-N 270.401 3.736 0 40 CHAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)Cc2ccccc2)C1 801987 NUSSVXFEPJRVRI-YJBOKZPZSA-N 271.404 3.656 0 40 CHAB C[C@H](NC(=O)NCc1ccccc1)c1cccc(Cl)c1 17115553 LJGLYHCKJRRUOH-LBPRGKRZSA-N 288.778 3.900 0 40 CHAB CCC[C@H]1[C@H](c2ccco2)N[C@H](c2ccco2)C[C@@]1(C)O 1314812 KRWCRLSHEPHBQC-WRFANHODSA-N 289.375 3.816 0 40 CHAB CSc1ccccc1NC(=O)N1CCC[C@@H](C)C1 40526189 NMOCMNJWQZQRJR-LLVKDONJSA-N 264.394 3.672 0 40 CHAB CCN(CC)CCO[C@@H]1CCCC[C@H]1Cc1ccccn1 1675100 FZAOVOGLQIIWGX-FUHWJXTLSA-N 290.451 3.541 0 40 CHAB FC(F)(F)c1nn(-c2ccccc2)c2c1CCCC2 2528713 XYAUEMFYWKGQTL-UHFFFAOYSA-N 266.266 3.770 0 40 CHAB c1ccc2c(OCCCCNC[C@H]3CCCO3)cccc2c1 2591737 GJARMTNGCCGKHM-QGZVFWFLSA-N 299.414 3.767 0 40 CHAB CCN(CCOC)[C@H](C(=O)c1ccccc1)c1ccccc1 6384914 BHIVVVJYEAFBIB-SFHVURJKSA-N 297.398 3.579 0 40 CHAB CCC(=O)O[C@@H]1C[C@H](C)N(C(=O)CC)c2ccc(C)cc21 6461874 LCMYMLGTHSOTRB-SWLSCSKDSA-N 289.375 3.525 0 40 CHAB Fc1cccc(Cl)c1Cn1ncc2ccccc21 6743463 YVLTURSEQVFKGQ-UHFFFAOYSA-N 260.699 3.877 0 40 CHAB O=C(CSc1ccccc1)NCc1ccc(Cl)cc1 2664713 ATLSASOWDDMFIE-UHFFFAOYSA-N 291.803 3.749 0 40 CHAB C[C@@H]1[C@@H](NC(=O)CSc2ccc(F)cc2)CCC[C@H]1C 102241757 QDOIWNUTXCSQRE-XUJVJEKNSA-N 295.423 3.859 0 40 CHAB Cc1cc(C)c2nc(COc3ccc(F)cc3)[nH]c2c1 33327191 ZUKVNJONFXHQOQ-UHFFFAOYSA-N 270.307 3.898 0 40 CHAB O=C(O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](c1ccccc1)(C3)C2 100262124 APWLCUAAISKVPI-GANFFNEQSA-N 256.345 3.609 0 40 CHAB COc1cc(CO)cc(Cl)c1OCc1ccccc1C 20377431 DIYAERCVGSLUIX-UHFFFAOYSA-N 292.762 3.728 0 40 CHAB CCCn1c(CN2CCCC[C@H]2C)nc2ccccc21 28515309 LQFWBPPVGCCXKA-CQSZACIVSA-N 271.408 3.821 0 40 CHAB CCOc1cc(F)c(Br)cc1Cl 306482099 HXMHEIUIPPRKLF-UHFFFAOYSA-N 253.498 3.640 0 40 CHAB COc1ccc(CC(=O)Nc2ccc(C)cc2C)cc1OC 3482521 NQOVQGHFTYOSNZ-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB CCOC(=O)CSc1cc(C)nc2c(C)cc(C)cc12 4082995 VHBBBSNBDMIHSM-UHFFFAOYSA-N 289.400 3.815 0 40 CHAB Cc1ccnc(SCc2ccc(Br)cc2)n1 13881131 NCPXDRNGGQXZQA-UHFFFAOYSA-N 295.205 3.840 0 40 CHAB CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 14421454 ZCWIJISZUNIRPB-CYBMUJFWSA-N 287.359 3.547 0 40 CHAB CN(C)c1ccc([C@@H]2OCCC3(CCCCC3)O2)cc1 4729507 GYIPWEFNAWFESF-MRXNPFEDSA-N 275.392 3.891 0 40 CHAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccnc1 8710543 MDSCGAYNORUSAZ-JTQLQIEISA-N 294.276 3.591 0 40 CHAB CC[C@@H]1CCC[C@@H](N[C@@H](CC(=O)OC)c2cccs2)C1 71113947 ODYLXWLXXMGZFM-MCIONIFRSA-N 295.448 3.911 0 40 CHAB C[C@H]1COc2ccccc2CN1Cc1cccc(F)c1F 96007876 MZFCRBUNJWBAOF-LBPRGKRZSA-N 289.325 3.748 0 40 CHAB COc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1 19899658 ZRWMHLVIVRKHBX-SFHVURJKSA-N 267.372 3.862 0 40 CHAB CCCSc1nnc(-c2ccccc2)n1CCC 409103522 CBZZADVBJXEQFZ-UHFFFAOYSA-N 261.394 3.857 0 40 CHAB COC1(c2nc(-c3cccc4[nH]ccc34)no2)CCCC1 515162788 PNIIOIGXXRBZPV-UHFFFAOYSA-N 283.331 3.634 0 40 CHAB c1ccc2c([C@H]3CCCC[C@H]3NC3CC3)c[nH]c2c1 72210200 PANGFHOBYNCCJF-RHSMWYFYSA-N 254.377 3.946 0 40 CHAB Cc1cc(Cl)ncc1[C@H]1CCCCN1C(C)C 72217861 UXNLOLANLPYEGF-CYBMUJFWSA-N 252.789 3.979 0 40 CHAB O=C(c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 36961770 KPCGXCYATKBCPA-UHFFFAOYSA-N 295.121 3.953 0 40 CHAB Cc1cccc(-c2[nH]ncc2C(=O)NCC2CCCCC2)c1 72329140 GGSGXJIKGIKUSD-UHFFFAOYSA-N 297.402 3.695 0 40 CHAB C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1 78556028 NSJIIMDUBQPLSR-KPZWWZAWSA-N 262.349 3.836 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](c2ccsc2)C1 675008365 UMVHIOZDGFNFFR-CYBMUJFWSA-N 296.395 3.859 0 40 CHAB Cc1ccc(C)c(NC(=S)NCc2cccc(F)c2)c1 46415885 PGPBLBGENCDNKC-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB COc1cc(C)c(C(=O)Nc2cccnc2)cc1C(C)C 225657625 YTSYNBKEUKUOGO-UHFFFAOYSA-N 284.359 3.774 0 40 CHAB CCc1cc(OCC[C@@H]2CCCNC2)ccc1Cl 42771482 GYQJBVZPUDKULY-LBPRGKRZSA-N 267.800 3.671 0 40 CHAB COC(=O)c1ccccc1-c1cc2ccccc2[nH]1 40981318 VISPDOWQCYHYFH-UHFFFAOYSA-N 251.285 3.622 0 40 CHAB C[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)[C@@H](c2ccco2)C1 195531439 KFKLXQUBBKVNPA-RBSFLKMASA-N 291.391 3.538 0 40 CHAB CCCCCOC(=O)c1snnc1-c1ccc(F)cc1 223840720 WRYUPWKKMNRJRM-UHFFFAOYSA-N 294.351 3.691 0 40 CHAB CNCCCNc1cc(C)nc2c(Cl)c(Cl)ccc12 222689160 AWOPBARMTMXJBJ-UHFFFAOYSA-N 298.217 3.871 0 40 CHAB Cc1ccc([C@@H](O)c2cccc3ccccc23)cc1N 226294533 WLOMIJZLPQCKFT-GOSISDBHSA-N 263.340 3.812 0 40 CHAB COc1ccccc1CCCNC(=O)c1cc(C)ccc1C 223912159 NXCGWXRUCHPIBD-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)C(C)C 225221246 ZXBNEWCGHNJLLU-RISCZKNCSA-N 283.799 3.658 0 40 CHAB Fc1ccc([C@H]2C[C@@H]2c2nc(-c3ccncc3)no2)c(F)c1 193198361 SKMHHLPWFCRLEH-OLZOCXBDSA-N 299.280 3.681 0 40 CHAB O=C(Nc1ccccc1Cl)N1CCC2(CC1)CC2 96051087 MHCZKVUALOAAJD-UHFFFAOYSA-N 264.756 3.748 0 40 CHAB Fc1cc(I)cc2ccccc12 96171925 OGZLYWCFGCTWNQ-UHFFFAOYSA-N 272.060 3.584 0 40 CHAB CC(C)CC(=O)NCc1ccc(-c2ccoc2)cc1 390831204 QLDGWSDWLKRLAR-UHFFFAOYSA-N 257.333 3.609 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)N1CCCCCC1 63990 GANWGAAAYHTJKL-JXMROGBWSA-N 263.768 3.756 0 40 CHAB CCCCOP(=O)(OCCCC)c1ccccn1 5261203 QWGJIRWHGZDDPI-UHFFFAOYSA-N 271.297 3.533 0 40 CHAB COC(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1C 13689999 GNLBZZMDXXLQJE-UHFFFAOYSA-N 298.367 3.762 0 40 CHAB CCCCN[C@@H](C)c1ccccc1Br 19907005 PDCQELOYFSUYFS-JTQLQIEISA-N 256.187 3.900 0 40 CHAB O=C(O)[C@@H]1CCCN1Cc1sc2ccccc2c1Cl 35303586 CMSFHUJUADFAIG-JTQLQIEISA-N 295.791 3.604 0 40 CHAB C[C@H]1C[C@H](C)CN(c2ccc(N)cc2C(F)(F)F)C1 8701207 XXYMIDZJXONUQK-UWVGGRQHSA-N 272.314 3.770 0 40 CHAB COc1ccc(C(=O)c2cc3ccccc3o2)cc1OC 20362292 GKLGVFFZYKCSJW-UHFFFAOYSA-N 282.295 3.681 0 40 CHAB CC(C)n1nccc1NC(=O)c1cccc(C(F)(F)F)c1 22289014 FVNUYHXOCYAOLU-UHFFFAOYSA-N 297.280 3.735 0 40 CHAB COc1ccc(C(=O)c2cc3ccccc3o2)cc1F 20362299 UARZHENBKKKNCQ-UHFFFAOYSA-N 270.259 3.812 0 40 CHAB CN(Cc1csc(C2CCCC2)n1)C[C@H]1CCCCO1 344055409 LUYGFVBHSGZMSZ-OAHLLOKOSA-N 294.464 3.802 0 40 CHAB Fc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3)c1 1239534451 LRUZUSSUWZYRPU-UHFFFAOYSA-N 283.346 3.966 0 40 CHAB CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F 5613359 BIJCUDKFSIRCDI-UHFFFAOYSA-N 291.709 3.669 0 40 CHAB O=Cc1cccc(OCCCCN2CCCCCC2)c1 217795222 LXRQEZYJSTWUMX-UHFFFAOYSA-N 275.392 3.534 0 40 CHAB COc1cccc([C@H]2CCCN2C(=O)c2cc(C)oc2C)c1 40047455 VKVHBMMPEOWVCH-QGZVFWFLSA-N 299.370 3.882 0 40 CHAB CCc1ccc(C(=O)NCc2sccc2C)s1 40070960 HGKQZDRJGOZJLV-UHFFFAOYSA-N 265.403 3.610 0 40 CHAB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(C(C)(C)C)cc1 40108701 QWVGDYVMXLWVMY-CJNGLKHVSA-N 289.419 3.730 0 40 CHAB C[C@H](Sc1ncnc2[nH]cnc12)c1ccccc1Cl 60952 GSZRSLVADRWWAP-QMMMGPOBSA-N 290.779 3.860 0 40 CHAB O=C(NCCc1ccccn1)Nc1cccc2ccccc12 251864 QEOQTVHCKUVCJZ-UHFFFAOYSA-N 291.354 3.599 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 281527 FFNQBCWXGWQYOV-NXEZZACHSA-N 271.813 3.735 0 40 CHAB CCCCN(C)Cc1cc(=O)oc2cc3c(cc12)CCCC3 2413410 MNWOUVSLUSCYOQ-UHFFFAOYSA-N 299.414 3.904 0 40 CHAB biogenic COc1cccc(OC(=O)Nc2cccc(Cl)c2)c1 1655937 OFZMZRWGFOICDD-UHFFFAOYSA-N 277.707 3.960 0 40 CHAB COc1ccc(CCC(=O)c2ccc(F)cc2)cc1 2516560 RTKSWYJVSFPGLT-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB COc1cccc(C(=O)CCc2ccc(F)cc2)c1 2517372 JWZOWYHXSDIBQG-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB CCOC(=O)CCC(=O)c1ccc(Cl)cc1Cl 2580338 DIQWWFOXDFKXPL-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB Cc1nn([C@H](C)CC(=O)N[C@H](C)c2ccccc2)c(C)c1C 4993461 XSFVPXYJGPTCHY-IUODEOHRSA-N 299.418 3.637 0 40 CHAB Cc1ccc2c(c1)nc1n2C(=O)[C@]2(C)CC[C@H]1C2(C)C 6413541 XTWQSORRZBPXII-DIFFPNOSSA-N 268.360 3.908 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1ccccc1 8479694 AWYMPWPDZYIYSD-SFHVURJKSA-N 297.398 3.811 0 40 CHAB CN(Cc1nc2ccccc2[nH]1)c1nc2ccccc2s1 32824980 XXFPYCSRCRJJLT-UHFFFAOYSA-N 294.383 3.809 0 40 CHAB O=C(CCc1ccco1)N1CC=C(c2ccccc2)CC1 32994441 RFWRTKJNFFQCJU-UHFFFAOYSA-N 281.355 3.528 0 40 CHAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999323 GSCPOBFEYKDEKQ-UYUMYWFVSA-N 279.330 3.519 0 40 CHAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H]1c1ccsc1 46913154 JHRHAPLHBBIHKN-GFCCVEGCSA-N 280.780 3.707 0 40 CHAB COc1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)cc1 817677 OVXJOFFDUNQEBM-SFHVURJKSA-N 291.354 3.840 0 40 CHAB Cc1ccccc1NC1=NN=C(c2ccco2)CS1 12543265 FLFLSYZEAUNSST-UHFFFAOYSA-N 271.345 3.507 0 40 CHAB COc1ccc2nc(C)c(C(=O)NC3CCCCC3)cc2c1 25949557 REJBYEHOQRYPHB-UHFFFAOYSA-N 298.386 3.614 0 40 CHAB Cc1cnc(NC(=O)Cc2cccc3ccccc23)s1 3282340 INGKLDAKVAHOQW-UHFFFAOYSA-N 282.368 3.786 0 40 CHAB Cc1cc(C)c(C(=O)COC(=O)c2cccs2)c(C)c1 3329969 WZCAGCAXXPAACV-UHFFFAOYSA-N 288.368 3.713 0 40 CHAB Cc1cc(CN(C)[C@H](c2ccccc2)C(F)(F)F)on1 69565619 FULVCTZUKLFTFD-CYBMUJFWSA-N 284.281 3.718 0 40 CHAB O=C(Oc1cccc2cccnc12)c1cccs1 4113807 PJEKAGAQCVEPOW-UHFFFAOYSA-N 255.298 3.516 0 40 CHAB CCCc1ccc([C@H](C)NC(=O)N[C@H](C)CC)cc1 13746367 ISMKBXUHUYUQHT-OLZOCXBDSA-N 262.397 3.798 0 40 CHAB CC[C@@H](C)NC(=O)COc1ccc(Cl)c2ccccc12 14196600 GGGUBSRPOXDGOJ-LLVKDONJSA-N 291.778 3.787 0 40 CHAB Cc1ccoc1C(=O)N[C@@H](C)c1ccc(Cl)s1 65608452 BWFXNWQKLAXTOU-QMMMGPOBSA-N 269.753 3.794 0 40 CHAB c1ccc2cc(OCC[C@@H]3CCCCN3)ccc2c1 14632343 SQKQNHUVSJLWMO-INIZCTEOSA-N 255.361 3.751 0 40 CHAB Cc1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)c1 5740266 MKOKMJRZGRMNBJ-UHFFFAOYSA-N 294.350 3.523 0 40 CHAB CCc1ccc(C(=S)NCc2ccccc2OC)cc1 408571537 BPLUZGHPEJCKHZ-UHFFFAOYSA-N 285.412 3.723 0 40 CHAB CCN(Cc1ccoc1)Cc1cnc(C2CC2)s1 92935974 DLXYBDHERQQEOO-UHFFFAOYSA-N 262.378 3.636 0 40 CHAB Cc1cc2oc(=O)cc(CN(C)Cc3ccco3)c2cc1C 8197462 LUAZLXWPTKAGOA-UHFFFAOYSA-N 297.354 3.635 0 40 CHAB CCO[C@H]1CCCN(C(=O)NCC2CCCCCCC2)C1 84801030 BHGQFGKQJZRTLJ-INIZCTEOSA-N 296.455 3.557 0 40 CHAB Cc1cc(C(F)(F)F)c(C(=O)O)cc1C(F)(F)F 98210813 XONWPGMYEQXSBC-UHFFFAOYSA-N 272.144 3.731 0 40 CHAB C[C@]12CC[C@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 21984609 BTTWKVFKBPAFDK-DLEIETQISA-N 290.447 3.671 0 40 CHAB NC(=S)c1ccc2oc(-c3ccccc3Cl)nc2c1 73634131 XEYSOYQWKCUUJY-UHFFFAOYSA-N 288.759 3.782 0 40 CHAB CC(=O)N1C[C@@H](c2ccccc2)C=C1c1ccccc1 3846226 VLUZJMNYQWAEAI-KRWDZBQOSA-N 263.340 3.673 0 40 CHAB biogenic O[C@@H](c1ccccc1)c1ccc(OCc2ccccc2)nc1 72225392 VEBGKNFNWJWCSX-IBGZPJMESA-N 291.350 3.742 0 40 CHAB O[C@@]1(C(F)(F)F)ON=C2/C(=C\c3ccccc3)CCC[C@@H]21 33369477 RHOOTQAOZKPADG-RHDOYOBMSA-N 297.276 3.507 0 40 CHAB Cc1cccnc1NCc1ccc(OC(C)C)cc1 72226347 LLIYONLIRSVKTP-UHFFFAOYSA-N 256.349 3.789 0 40 CHAB O=C(NCC(c1ccco1)c1ccco1)Nc1ccccc1 675007755 NJVGNEZBWAGMDU-UHFFFAOYSA-N 296.326 3.826 0 40 CHAB CC(=O)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72357548 CDKFPYAJRRZQQH-CQSZACIVSA-N 298.361 3.614 0 40 CHAB CC(C)CO[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225087209 YPJWCRNYFIAGJB-LBPRGKRZSA-N 291.174 3.662 0 40 CHAB Cc1cc(C)cc(C[C@@H](Oc2cccc(C)c2)C(=O)O)c1 225036080 UTYHRXHQWYBAOU-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB Cc1nnc([C@H](C)N2CCC(=Cc3ccccc3)CC2)o1 89736212 GMRAYXBTYDYRDP-ZDUSSCGKSA-N 283.375 3.618 0 40 CHAB Cc1ccc([C@H](O)c2ccccc2Br)cc1F 95730089 XQZFCOFLAKNANN-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB Cc1nn(C(F)F)cc1NCc1cnn(C2CCCC2)c1 256053486 RPUUELHYDXRJKL-UHFFFAOYSA-N 295.337 3.510 0 40 CHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)c1ccc(F)c(Cl)c1 95634009 NGZAWGNNBLYXQB-ZJUUUORDSA-N 284.714 3.553 0 40 CHAB Cc1cc(N(C(C)C)C(C)C)nc2c(N)cccc12 685937973 FBMFKJACRSPNCY-UHFFFAOYSA-N 257.381 3.749 0 40 CHAB O=C(O)c1cc(C2CC2)nc2cc(F)c(Cl)cc12 92773045 PTUOTDBLMOSMSW-UHFFFAOYSA-N 265.671 3.603 0 40 CHAB C[Si](C)(C)c1c(CO)ccc(-c2ccccc2)c1F 219793318 GRISMIFOUJDQBY-UHFFFAOYSA-N 274.411 3.530 0 40 CHAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2)cc1 13132346 GKFVKVSTVJKHMZ-DLBZAZTESA-N 290.370 3.733 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=O)c1ccccc1 13550200 WBMULNOFMGKWPA-BMFZPTHFSA-N 288.387 3.873 0 40 CHAB biogenic,in-vitro CCCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14398671 HXAPTLMFRLNYKE-LBPRGKRZSA-N 283.799 3.640 0 40 CHAB Cc1ccc(/C=C/C(=O)NC[C@H](C)c2ccccc2)cc1 8168705 SUUMVACXOUXQJA-DBTPVHCXSA-N 279.383 3.928 0 40 CHAB CN(Cc1nc2ccccc2s1)C(=O)c1cccs1 21937154 FQIAPJNWJDKQRE-UHFFFAOYSA-N 288.397 3.630 0 40 CHAB C[C@@H](NC(=O)C1CCC1)c1ccc(Cl)cc1Cl 36821833 OEHAVANWEQWJKL-MRVPVSSYSA-N 272.175 3.971 0 40 CHAB O=C(CNC1CCCCCC1)Nc1ccc(Cl)cc1 36962636 YNCDIYVULAUPPH-UHFFFAOYSA-N 280.799 3.591 0 40 CHAB CCCNC(=S)Nc1ccc2oc(C(C)(C)C)nc2c1 40073268 FDRZOOFPBMSYKO-UHFFFAOYSA-N 291.420 3.822 0 40 CHAB O=C(c1cc2c(s1)CCC2)N1CCCc2ccccc21 40159833 VBQCMGUXNLSDRR-UHFFFAOYSA-N 283.396 3.830 0 40 CHAB COc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1 90238 ZBYOXWZXVBQBBZ-UHFFFAOYSA-N 295.338 3.856 0 40 CHAB aggregator,in-vitro Cc1ccc(-c2oc3ccc(C)cc3c(=O)c2O)cc1 115265 OUNDHKZAGANSPX-UHFFFAOYSA-N 266.296 3.782 0 40 CHAB c1ccc(-c2cnc(CSC3=NCCS3)o2)cc1 40456885 PCXPFKOBZJKTSQ-UHFFFAOYSA-N 276.386 3.678 0 40 CHAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 1589780 NQBTWEFKQQCACE-MLGISRHOSA-N 264.324 3.614 0 40 CHAB COc1cccc2cc(-c3c[nH]c4ccccc34)c(=O)oc12 1614267 PWDOXZQLCMXFJT-UHFFFAOYSA-N 291.306 3.950 0 40 CHAB CCOC(=O)[C@@H](Cc1ccccc1)Sc1ccccc1 1760591 ZEHMOEIYIKKMDI-MRXNPFEDSA-N 286.396 3.953 0 40 CHAB COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1 3548174 QRZDBNSBFZURNK-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB COc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1 311445 YVZRUBYHIJVDKO-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc2cnccc12 21218452 QWBMKYSKESYPOC-GFCCVEGCSA-N 252.317 3.530 0 40 CHAB COc1ccccc1/C=C(/C(=O)NC1CC1)c1ccccc1 32906123 VSGDOZQBMZPYCU-GHRIWEEISA-N 293.366 3.514 0 40 CHAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc2cccnc12 103028213 YIICVHRRJITHEL-BPLDGKMQSA-N 280.371 4.000 0 40 CHAB Clc1ccccc1N/N=C1/C=Nc2ccccc21 107849075 MTCJINWNCPUDJB-JXAWBTAJSA-N 255.708 3.872 0 40 CHAB O=C(O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 37374911 QZXBDUATFRTRPZ-ZDUSSCGKSA-N 280.295 3.883 0 40 CHAB in-vitro O[C@@H](c1cc(F)cc(F)c1)c1cccc(Br)c1 55201568 OLQISAMSKVXZHN-CYBMUJFWSA-N 299.114 3.809 0 40 CHAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1CCC2=O 118917938 ISCDVSARRNIGHW-TULRTYAESA-N 286.415 3.943 0 40 CHAB CNc1nc2c(s1)[C@H](c1cccc(Cl)c1)CC(O)=N2 61720254 MCQGDMOPBKUXFC-VIFPVBQESA-N 293.779 3.962 0 40 CHAB Fc1ccc(-n2cnnc2-c2ccccc2Cl)cc1 12551148 QVBDCHQBNBJZTH-UHFFFAOYSA-N 273.698 3.727 0 40 CHAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC1 72012721 JDSHQMDMMPMQFD-MRVPVSSYSA-N 290.215 3.706 0 40 CHAB Cc1ccc(Cn2ccc3cc(C(=O)O)ccc32)cc1 108253304 HOZVXNVCWLHKSF-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccco2)cc1 20111198 PMDBCMVXWJKHHJ-OAHLLOKOSA-N 287.359 3.805 0 40 CHAB C[C@H](CNCCc1ccc(F)cc1)c1ccccc1 10475190 ZKCWONYBMYHMMY-CQSZACIVSA-N 257.352 3.762 0 40 CHAB O=C(/C=C/c1ccsc1)Nc1cccc2cccnc12 10543336 XWJTXRGXQKXXKX-VOTSOKGWSA-N 280.352 3.948 0 40 CHAB Cc1ccc(NC(=O)CNc2ccc(F)cc2C)c(C)c1 3487010 HUMJFLCXHDPDLJ-UHFFFAOYSA-N 286.350 3.802 0 40 CHAB CC(C)c1cc(NC(=O)c2cc(Cl)ccc2F)[nH]n1 49044236 YWVAGJUCSHPQND-UHFFFAOYSA-N 281.718 3.578 0 40 CHAB O=C(NC1CCCC1)N1CCC(Cc2ccccc2)CC1 13328210 UZXJGUHDUWWCSG-UHFFFAOYSA-N 286.419 3.593 0 40 CHAB FC(F)(F)c1ccc2sc([C@@H]3CCCN3)nc2c1 4219233 PCNZBAFICKOFAW-QMMMGPOBSA-N 272.295 3.740 0 40 CHAB Fc1cccc(NC(=S)Nc2cccc(F)c2)c1 5375214 OYDBHKOMFRSLQU-UHFFFAOYSA-N 264.300 3.774 0 40 CHAB COc1ccc(NC(=O)c2cc(Cl)ccn2)cc1Cl 5798255 WZVPMRDKJHKAFR-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB CCc1ccc(NC(=O)Cc2noc3ccc(C)cc23)cc1 6839229 KBGBZMJVPBMJRX-UHFFFAOYSA-N 294.354 3.880 0 40 CHAB CCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2OC)c1 7240939 LPKSACIAWXBQER-ZDUSSCGKSA-N 298.386 3.697 0 40 CHAB Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)nn2)cc1 408531558 UVZMSKYXZFMMCJ-UHFFFAOYSA-N 290.322 3.671 0 40 CHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CC1 9503249 UPYSJJVLLWSZNT-AWEZNQCLSA-N 275.348 3.503 0 40 CHAB CCCOc1ccccc1C(=O)Nc1ccc(N)cc1C 19736409 KFBCDYRVHMYMDQ-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Cn1cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc21 72324662 KAUSXCKSUKFSPS-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic CC(C)c1csc2nc([C@H]3CCCS3)[nH]c(=O)c12 98019088 VLIZSCUKJAFJNQ-SECBINFHSA-N 280.418 3.676 0 40 CHAB Cc1c(F)ccc2sc(NC(=O)NC3CCCC3)nc12 79094498 ITNMTDYYACFGOZ-UHFFFAOYSA-N 293.367 3.808 0 40 CHAB CCCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 20108154 XRHLLHOUMCXTLE-KRWDZBQOSA-N 285.387 3.914 0 40 CHAB Cc1cccc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1 2322959 GEBXNWOIYBGXIE-UHFFFAOYSA-N 285.187 3.674 0 40 CHAB biogenic CCCOc1cccc(/C=C/C(=O)OCC)c1Cl 72209090 HPIJZEBZWAEJFQ-CMDGGOBGSA-N 268.740 3.705 0 40 CHAB COc1ccc(Cl)cc1C(=O)NCc1cccc(C)c1 31058041 HQCWOPGSVMEICY-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB C[C@@H](Nc1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C 72207647 HWBKXUHOEGJMFF-UKRRQHHQSA-N 290.407 3.887 0 40 CHAB Cc1cc([C@@H]2CCCN2C(C)C)cnc1N1CCCC1 72218799 ZXJPFXXINSJVBZ-INIZCTEOSA-N 273.424 3.536 0 40 CHAB CCN(C)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 79101775 OJTPTFLHYWJICV-UHFFFAOYSA-N 285.347 3.666 0 40 CHAB Cc1ccccc1CNC(=O)CCc1ccccc1Cl 45343117 ZXZUXTDCXWBLSV-UHFFFAOYSA-N 287.790 3.897 0 40 CHAB CC[C@H](NC(=O)c1cccnc1)c1ccc(C)c(C)c1 225431920 LLZBYKMQTLCMST-INIZCTEOSA-N 268.360 3.580 0 40 CHAB CC(C)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 225206835 JJCDJKWMLNQZLN-UONOGXRCSA-N 291.435 3.912 0 40 CHAB CCOc1cc(-c2nc(-c3ccc(C)cc3)n[nH]2)ccc1O 85384710 LVUPJLSXYFZIAV-UHFFFAOYSA-N 295.342 3.551 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cnc(C2CC2)nc1C 225791618 FTZGTZRVCBTGPO-UHFFFAOYSA-N 281.359 3.532 0 40 CHAB CCCC[C@H](CC)CNS(=O)(=O)Cc1cccc(C)c1 224168442 YLUDIQHUZRGTTM-HNNXBMFYSA-N 297.464 3.631 0 40 CHAB O=C(NCc1cccnc1-c1ccsc1)c1ccccc1 225644129 PZGDXJCFOXMMGP-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB Cc1noc(C)c1CN(C)[C@H](C)c1ccccc1F 52074266 RNCCUJOJVXZVBC-LLVKDONJSA-N 262.328 3.624 0 40 CHAB NC1(c2cccc3ccc(Br)cc23)CC1 258644578 UFXGYPGDHFAVOV-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB CCOC(=O)/C=C1/c2ccccc2-c2cscc21 575436706 QEEBLZOAPORQOA-GHXNOFRVSA-N 256.326 3.723 0 40 CHAB Cc1cc(Br)cc(C)c1NC(=S)NC1CC1 44195310 HJQWMQTXXADTIW-UHFFFAOYSA-N 299.237 3.515 0 40 CHAB CCCC[C@](C)(N)c1cccc(Br)c1 53756909 GANQTPZONDWWAN-LBPRGKRZSA-N 256.187 3.813 0 40 CHAB in-vitro CC/C=C(\C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 98055138 QZHKVPBDYZSAJO-ZUFYJRLNSA-N 257.377 3.919 0 40 CHAB Cc1nnc(CN[C@@H](C)c2cccc3ccccc23)s1 95984266 KHVSCRZTXZJVGY-NSHDSACASA-N 283.400 3.851 0 40 CHAB O=c1c2ccccc2[nH]c(=S)n1CCCc1ccccc1 5827646 MTNNGTPTMPNVOK-UHFFFAOYSA-N 296.395 3.692 0 40 CHAB O=c1[nH]c2ccccc2cc1C(Cl)=C(Cl)Cl 16952848 QKTCNZJUWXGOBW-UHFFFAOYSA-N 274.534 3.871 0 40 CHAB COC(=O)/C=C/c1ccc(OCc2ccccc2C)cc1 20133976 MMPFUCXYBZNEHP-FMIVXFBMSA-N 282.339 3.760 0 40 CHAB COc1ccc(CNc2cccc3cccnc23)cc1OC 20542873 XGPRDDLWUVVWEA-UHFFFAOYSA-N 294.354 3.864 0 40 CHAB CC(C)[C@H](NC(=O)c1ccc2cn[nH]c2c1)c1cccs1 25060060 KCNIAMFGSVCWFY-HNNXBMFYSA-N 299.399 3.752 0 40 CHAB CC(C)c1ccc(-c2c(C(F)(F)F)n[nH]c2N)cc1 37349584 SZYIKFXHEBOZDD-UHFFFAOYSA-N 269.270 3.801 0 40 CHAB Cc1ccc(CN[C@H](C)c2c(C)nn(C)c2C)cc1C 252489058 JEDFGUIVWXBHLE-CYBMUJFWSA-N 271.408 3.505 0 40 CHAB CCCNCc1ccc(O[C@@H](C)CC)c(OCC)c1 34815811 HZMLTWDSJPPVCN-ZDUSSCGKSA-N 265.397 3.762 0 40 CHAB CNc1ccccc1C(=O)Nc1cc(C)ccc1C 41636336 IIAYLRAPOCFSGX-UHFFFAOYSA-N 254.333 3.597 0 40 CHAB Cc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 176776 MQXCWBMAZPDDBE-DHDCSXOGSA-N 297.741 3.993 0 40 CHAB Nc1c(-c2ccccc2)sc2ccc3ccccc3[n+]12 4263161 XOCQDQCWMNJEEP-UHFFFAOYSA-N 277.372 3.889 0 40 CHAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CCc1ccco1 40069675 YOUKBZMCKWXWQU-HUUCEWRRSA-N 277.408 3.933 0 40 CHAB c1ccc2c(NCn3nnc4ccccc43)cccc2c1 43087 ABYVUCOEJMCTGH-UHFFFAOYSA-N 274.327 3.654 0 40 CHAB O=C(Nc1nnc(C2CCCC2)s1)c1ccccc1F 412263 KPYIEEXHTLUCNT-UHFFFAOYSA-N 291.351 3.587 0 40 CHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C(C)(C)C)cc1 568328 BZVBXPSJPRZFPE-UHFFFAOYSA-N 299.418 3.612 0 40 CHAB C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccn1 36688747 HUWOOASXDKXDIQ-PGBRGIIUSA-N 298.430 3.865 0 40 CHAB CCO[C@@H]1OCN(c2ccc(Cl)cc2)CC1(C)C 1561115 SVSZLMIGNYQRQX-CYBMUJFWSA-N 269.772 3.523 0 40 CHAB CC(C)=C(Cl)c1c(C)cc(C)c(CC(N)=O)c1C 1610634 MEHYUGXRLIUBOH-UHFFFAOYSA-N 265.784 3.629 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(F)cc2F)c1 3612984 GMWTYDOOWNMUPC-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB c1ccc(-c2noc(-c3cccc4ccccc34)n2)nc1 218457 YGUDIHOQAIXIFH-UHFFFAOYSA-N 273.295 3.952 0 40 CHAB CC(C)C[C@@H](CO)Nc1ncc(C(F)(F)F)cc1Cl 40779288 RSFUHKFWLHKTAZ-VIFPVBQESA-N 296.720 3.573 0 40 CHAB CN(C)c1ccc(C(=N)Cc2ccc3ccccc3n2)cc1 4772089 MPPMMBDPRBTMGG-UHFFFAOYSA-N 289.382 3.911 0 40 CHAB CC(C)c1ccccc1NC(=O)c1ccc(N(C)C)nc1 32335820 GXNMPAIUOZRJNY-UHFFFAOYSA-N 283.375 3.523 0 40 CHAB O=C(Nc1ccccc1Br)[C@H]1C[C@@H]2CC[C@@H]1C2 100462729 QEYVKPIUSUXVTC-MXWKQRLJSA-N 294.192 3.824 0 40 CHAB Cc1ccc(NC(=O)c2cc(C)n(C)c2C)cc1Cl 8051878 GYCZLXMFMASBBI-UHFFFAOYSA-N 276.767 3.856 0 40 CHAB Cc1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c(C)o1 32843071 BCXICBSKBDTWPX-UHFFFAOYSA-N 297.354 3.532 0 40 CHAB CN(CC1CC1)c1nc(-c2ccncc2)nc2ccccc12 52456899 PPBUTSSRUROXMC-UHFFFAOYSA-N 290.370 3.538 0 40 CHAB CCOC(=O)CSCc1cccc2ccccc12 57471056 CSXIDZRBFGFFAL-UHFFFAOYSA-N 260.358 3.636 0 40 CHAB CC(C)CC(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28221182 IBABJXWWXCAETR-CQSZACIVSA-N 270.376 3.701 0 40 CHAB CN(C(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1 55750616 BUVOLEKSKLXLGV-UHFFFAOYSA-N 296.301 3.757 0 40 CHAB C1CCN(C[C@@H]2CO[C@@]3(CC[C@H]4CCCC[C@@H]4C3)O2)CC1 101120272 XBGMCAWJVPHBRD-TVFCKZIOSA-N 293.451 3.574 0 40 CHAB Cc1cc(C)c(OCCC2CCNCC2)c(Cl)c1 42770719 QDXMDNDDFCBIER-UHFFFAOYSA-N 267.800 3.725 0 40 CHAB CC[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(C)cc1 26203444 HGHCMJYXNFDPSJ-SFHVURJKSA-N 297.398 3.950 0 40 CHAB Cc1occc1C(=O)N1CCCCC[C@H]1c1cccn1C 25711802 DOMOEVJFWRATHK-INIZCTEOSA-N 286.375 3.684 0 40 CHAB C[C@H]1c2cccn2CCN1Cc1cccc(Cl)c1 57992374 GYIYFQWIHPPQGI-LBPRGKRZSA-N 260.768 3.718 0 40 CHAB Cc1cnc(NC(=O)COc2cccc3ccccc23)s1 3555790 XQNDZFMTLNUGAA-UHFFFAOYSA-N 298.367 3.622 0 40 CHAB Cc1cc2n(n1)[C@@H](c1cccs1)Nc1ccccc1-2 13132426 ROMPGWCAEKUTSM-HNNXBMFYSA-N 267.357 3.892 0 40 CHAB CC(=O)OC[C@@]12COC(=C(C)C)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 4026905 XPUXDIZNNJHBTE-UICACZKSSA-N 278.392 3.708 0 40 CHAB biogenic Cc1cc2c(=O)n(C3CCCCC3)c(=S)[nH]c2s1 17008390 GUQSXODQEIOOHC-UHFFFAOYSA-N 280.418 3.934 0 40 CHAB Cc1ccccc1SCC(=O)Nc1cccc2cn[nH]c12 39551628 QKZFEDVYMWLWOR-UHFFFAOYSA-N 297.383 3.602 0 40 CHAB Cc1noc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)n1 69621814 XGCMYJWTNBKAPL-IAQYHMDHSA-N 271.364 3.570 0 40 CHAB CCN(CC(=O)Nc1ccccc1Cl)C1CCCCC1 14136118 HPUWFQOSNXOMNV-UHFFFAOYSA-N 294.826 3.933 0 40 CHAB CCC[C@H](C)Nc1ncnc2sc3c(c12)CCC3 5937716 TXNWSNDPBACUEG-VIFPVBQESA-N 261.394 3.781 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccccn2)cc1Cl 22414003 NTIJQBDEKBISLJ-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB O=C(Nc1ccccc1)Nc1nnc(C2CCCC2)s1 9167230 IZAMBLFHEYLFLW-UHFFFAOYSA-N 288.376 3.840 0 40 CHAB Cc1ccc(Cl)c(OC(=O)c2cccc3[nH]cnc23)c1 95972340 AOBZMLGINIUYIG-UHFFFAOYSA-N 286.718 3.744 0 40 CHAB CC1=Nc2ccccc2Nc2c1c(=O)n(C)c1ccccc21 3846451 XECJZSZMVSYSPM-UHFFFAOYSA-N 289.338 3.736 0 40 CHAB biogenic Cc1ccc2c(I)cccc2c1 71256855 AYOOLFDVBLRLFO-UHFFFAOYSA-N 268.097 3.753 0 40 CHAB CCCN1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216043 QNOUUIAADGOAQS-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1F 78556015 GREDOJNTQLJTQA-JEOXALJRSA-N 280.339 3.975 0 40 CHAB Cc1cc(Cl)ccc1-c1ccc(C(=O)N(C)C)o1 45954217 IMCBKCWAIUIRBI-UHFFFAOYSA-N 263.724 3.610 0 40 CHAB Cc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)nc1 225462613 RUAGVSXDDTZTCU-OAHLLOKOSA-N 297.427 3.754 0 40 CHAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCCCCC1 41448455 FHZNENBBQCFKSZ-UHFFFAOYSA-N 298.386 3.595 0 40 CHAB Brc1ccc(SC[C@@H]2CCCNC2)cc1 43471727 HZGSEUWGGYYBER-SNVBAGLBSA-N 286.238 3.541 0 40 CHAB O=C(NCCOc1ccc2ccccc2c1)C1CCCC1 198562805 FGFRVHWGUWZQLG-UHFFFAOYSA-N 283.371 3.525 0 40 CHAB Cc1cc(C)c(C(=O)N[C@H](C)COc2ccccc2)cc1C 225652113 CCILZXIWNHUENV-MRXNPFEDSA-N 297.398 3.809 0 40 CHAB O=C(c1cccc(F)c1)c1c(F)c(F)c(F)c(F)c1F 95917049 YEBHKFUZAYGKPQ-UHFFFAOYSA-N 290.162 3.752 0 40 CHAB CCCCN(C)c1ccc(Br)c(F)c1 95915895 PRYDJLCITPHLIY-UHFFFAOYSA-N 260.150 3.825 0 40 CHAB O=C(O)[C@@H]1CCCCc2c1[nH]c1ccc(Cl)cc21 575319669 FGESULDXYXMYPT-SNVBAGLBSA-N 263.724 3.716 0 40 CHAB CCCn1cc(Br)c(-c2ccccc2)n1 248142606 CJMTVWBFCWOVHE-UHFFFAOYSA-N 265.154 3.723 0 40 CHAB Cc1cc(F)ccc1NC(=O)/C=C/c1ccc(F)cc1 5617696 OHWDZTJCFWNZMP-RUDMXATFSA-N 273.282 3.925 0 40 CHAB COc1cc(/C=C\c2ccc(O)c(OC)c2)cc(OC)c1 5663472 QEHTYBCDRGQJGN-PLNGDYQASA-N 286.327 3.588 0 40 CHAB Cc1nnc(SCc2cccc(Cl)c2)s1 5943332 AYUAIRDYXRLIJK-UHFFFAOYSA-N 256.783 3.792 0 40 CHAB CCC(CC)NC(=O)N[C@H](C)c1ccccc1Cl 13010313 BCMPJFXSIQRLPK-SNVBAGLBSA-N 268.788 3.889 0 40 CHAB Cc1cccc(NCc2nc3ccccc3nc2C)c1 16349738 BTTRGYNIWBZCHN-UHFFFAOYSA-N 263.344 3.859 0 40 CHAB CC[C@H](C)N[C@@H](C)c1ccc(Br)cc1 19881996 VERWMFMRAAXIBX-UWVGGRQHSA-N 256.187 3.898 0 40 CHAB CO[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)s1 225703855 LDSHXPSYFIGDML-MNOVXSKESA-N 299.823 3.562 0 40 CHAB Cc1nn2c(O)c3c(nc2c1-c1ccc(Cl)cc1)CCC3 100642315 JTWYFIYEKTUFCX-UHFFFAOYSA-N 299.761 3.552 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)s1 100622636 RFNRIMXQDDDNGY-LPWJVIDDSA-N 263.406 3.611 0 40 CHAB COc1ccc(COc2ccc(C3=CCNCC3)cc2)cc1 22224306 RXIUQXOSKHPSBV-UHFFFAOYSA-N 295.382 3.651 0 40 CHAB c1cc(Nc2nc3ccccc3s2)nc([C@H]2CCCN2)c1 2037873560 WMIVZVHPKUZVDI-LLVKDONJSA-N 296.399 3.859 0 40 CHAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)C1CC1 225624829 YJEMDHBJPZJFCV-UHFFFAOYSA-N 293.326 3.547 0 40 CHAB O=C(Nc1ccccc1)N1CCc2sc(Cl)cc2C1 575616441 OICVXPGMQPLCRF-UHFFFAOYSA-N 292.791 3.992 0 40 CHAB C[C@@H](NC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1 30115455 NGOYMBJNMUKVMU-SECBINFHSA-N 283.249 3.789 0 40 CHAB CCc1ccccc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100757783 UOAQTVXDFNJWIG-OALUTQOASA-N 299.414 3.973 0 40 CHAB Cc1occc1C(=O)N1CCC[C@H]1c1ccsc1 40534481 ZBEWDMRUXMPXAL-ZDUSSCGKSA-N 261.346 3.627 0 40 CHAB FC(F)(F)c1ccc(OCC[C@H]2CCCCN2)cc1 20595718 FKBXQPBMPRUANF-GFCCVEGCSA-N 273.298 3.616 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)C[C@@]43C)[C@@H]1CC[C@@H]2O 4280240 ZRIOQYDHRPOBLF-PHZXOWRISA-N 276.420 3.569 0 40 CHAB O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(Cl)c1 4945620 WQMYUSPEFJFIIO-UHFFFAOYSA-N 299.761 3.788 0 40 CHAB COc1ccc(N[S@@](=O)c2c(C)cc(C)cc2C)cc1 6484293 PQPPEWKFHKYMJR-HXUWFJFHSA-N 289.400 3.755 0 40 CHAB Cc1ccc(NC(=O)CCc2ccccc2)cc1C 320042 LTVKNTJTQMMWME-UHFFFAOYSA-N 253.345 3.875 0 40 CHAB Cc1cccc(-c2nc(C)cc(NCCCCCCN)n2)c1 8731088 NEZNNACXCIDTFS-UHFFFAOYSA-N 298.434 3.691 0 40 CHAB CCCCCCNC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C 32903814 QTWLZBIBJKJXEK-STQMWFEESA-N 275.392 3.881 0 40 CHAB C[C@@H](NC(=O)c1csc2ccccc12)c1ccccn1 12536870 XKVYZOZAMZZIEY-LLVKDONJSA-N 282.368 3.787 0 40 CHAB CCN(CC)c1ncc(C(F)(F)F)cc1Cl 42783524 GWDIOLFKLMFJFP-UHFFFAOYSA-N 252.667 3.600 0 40 CHAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@@H]1CCC2=O 118917939 ISCDVSARRNIGHW-OSJMQMFZSA-N 286.415 3.943 0 40 CHAB FC(F)(F)[C@H](CN1CCCCC1)OC1CCCCC1 1392941 FSHIPIWVYHEIGI-ZDUSSCGKSA-N 279.346 3.753 0 40 CHAB O=C(NCCc1ccc(Cl)cc1)NC1CCCCCC1 24865645 DZHDBSRDTLERSZ-UHFFFAOYSA-N 294.826 3.905 0 40 CHAB Cc1ccc(CN(C)Cc2noc3c2CCCC3)s1 108859364 HPRXLCWXDQHXOP-UHFFFAOYSA-N 276.405 3.555 0 40 CHAB Brc1cc(Br)c2scnc2c1 44712732 JYZZTBKMNYONOP-UHFFFAOYSA-N 292.983 3.821 0 40 CHAB CN(C)[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 58123587 QHZWILTUFPJLSM-SFHVURJKSA-N 292.382 3.524 0 40 CHAB Fc1cccc([C@@H]2CCCN2Cc2nnsc2Cl)c1 44976906 JFXKWKMYBLUQAG-LBPRGKRZSA-N 297.786 3.668 0 40 CHAB Cc1cc(NC(C)C)n2nc(C)c(-c3ccccc3)c2n1 2201374 CQLRPTAZIINULV-UHFFFAOYSA-N 280.375 3.833 0 40 CHAB Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2cc1C 2329512 KDRBTENOJOWZBC-UHFFFAOYSA-N 285.387 3.642 0 40 CHAB biogenic Fc1cc(F)c(C(F)(F)F)cc1Br 2382325 JSXBNFYUPDSZIN-UHFFFAOYSA-N 260.987 3.746 0 40 CHAB CCc1cccc(C)c1NC(=O)[C@H]1CC1(Cl)Cl 7653285 XAHBCDYZFXSDFJ-SNVBAGLBSA-N 272.175 3.690 0 40 CHAB O=C(O)Cc1csc(SCc2cccc(Cl)c2)n1 13414371 DVBOGSOSJIWFSH-UHFFFAOYSA-N 299.804 3.716 0 40 CHAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O)cc1 4218559 AYISILBMVSEZSN-UHFFFAOYSA-N 295.338 3.861 0 40 CHAB COc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3)c(C)c2c1 5345629 HDCVGXKIEJZDPF-UHFFFAOYSA-N 298.317 3.876 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 4611446 PIUPRVXUNQZHQW-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB COc1ccc([C@@H](NC(=O)C[C@H]2C=CCC2)C(C)C)cc1 19310923 GBMUXDNENCLCQG-KSSFIOAISA-N 287.403 3.865 0 40 CHAB CC(C)CNc1nnc(SC2CCCC2)s1 72066579 MHGKQRISAFGUAU-UHFFFAOYSA-N 257.428 3.641 0 40 CHAB CCCCCC(=O)NC(C)(C)CCC(=O)OC(C)(C)C 72308042 FZZMCUKYNHSGRO-UHFFFAOYSA-N 285.428 3.583 0 40 CHAB Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1N 20220769 CRXFZEHDQNPOQR-UHFFFAOYSA-N 278.714 3.622 0 40 CHAB CSc1ncc(C(=O)Nc2ccc(C(C)C)cc2)cn1 408533826 SJCITESCKQRKCM-UHFFFAOYSA-N 287.388 3.574 0 40 CHAB Cc1cc([C@H]2CCCCN2C(C)C)cnc1S 72218281 PFBKRGPFROJBQN-CYBMUJFWSA-N 250.411 3.614 0 40 CHAB C[C@H]1Cc2c(ccc3cc(Br)ccc23)O1 35940671 BQIZRGYEADKTFP-QMMMGPOBSA-N 263.134 3.926 0 40 CHAB CNc1ccc([C@@H]2CCCCN2CC(C)C)c(C)n1 72219122 ZYHWPTSKSAAZQI-HNNXBMFYSA-N 261.413 3.615 0 40 CHAB CCN1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C 72213007 KIWSFQSCLWRYQQ-MRXNPFEDSA-N 275.440 3.862 0 40 CHAB CC(C)=CC(=O)N[C@H](C)c1cccc(Br)c1 30468039 JANHDSNGHZYQTB-SNVBAGLBSA-N 282.181 3.593 0 40 CHAB COc1ccc(CN(C)C(=O)c2ccc(C)cc2C)cc1 44818956 GQYXEAWGORWXSY-UHFFFAOYSA-N 283.371 3.584 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)NCC1=CCCCC1 223411405 APGKRTMEBJOCLZ-CQSZACIVSA-N 289.444 3.925 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccc3ccn(C)c3c2)o1 81859017 ZAHAQOGAVQNSTK-UHFFFAOYSA-N 282.343 3.651 0 40 CHAB CCc1ccc(NC(=O)NCc2ccccc2C)cc1 44845471 MNESJZZAQQAIFB-UHFFFAOYSA-N 268.360 3.879 0 40 CHAB CC(C)(C)SCCSc1nnc(C(C)(C)C)o1 225777122 LHALRBQXSFOXSK-UHFFFAOYSA-N 274.455 3.991 0 40 CHAB Fc1cccc(CNC(=S)Nc2ccccc2Cl)c1 46415927 OFSSEDVTBHSAOU-UHFFFAOYSA-N 294.782 3.966 0 40 CHAB COc1cccc(-c2cnc(-c3cccc(OC)c3)cn2)c1 96343802 XXLYBDXGXCYDKC-UHFFFAOYSA-N 292.338 3.828 0 40 CHAB Cc1cc(NC(=O)c2occc2-c2ccccc2)sn1 98020529 YTCVMPMWOBSHAQ-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB c1ccc([C@@H]2[C@@H](NC[C@H]3CCOC3)[C@H]3CCCC[C@H]32)cc1 257207202 BGTSCRBVFFYYHM-IQRFUGTFSA-N 285.431 3.585 0 40 CHAB CCCN(c1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)O 260677443 FGJLIGKCCBLDAV-MRVPVSSYSA-N 276.163 3.683 0 40 CHAB O=C(COCc1ccccc1)c1ccc(Cl)c(F)c1 382700336 NVRBRFFMJAFUIV-UHFFFAOYSA-N 278.710 3.879 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)c(C)c2)cc1OC 95916503 FEUIASROVQGONY-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB Clc1ccc(Br)c2c(Cl)n[nH]c12 585672578 RVABGVLATFBNPE-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB CC(C)C(=O)N[C@@H](c1ccccc1)C(Cl)(Cl)Cl 5003389 YVWZVNOQOQRGRP-JTQLQIEISA-N 294.609 3.870 0 40 CHAB COc1ccc(-c2c[nH]c(=S)n2Cc2ccco2)cc1 13483163 WDKNAJVLINXSHX-UHFFFAOYSA-N 286.356 3.863 0 40 CHAB CC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1 13608610 OVCVCLRCSLPHDU-UHFFFAOYSA-N 281.355 3.769 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccc(C)cc1C 13821489 MJFGJLBRPHCRMO-LBPRGKRZSA-N 250.411 3.778 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1 14022323 URLOQUDLQKWIFZ-MRXNPFEDSA-N 269.344 3.791 0 40 CHAB CCCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 16639924 KHSTZXUPCKQNKU-UHFFFAOYSA-N 294.807 3.912 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc(C)c(N)c2)c(C)c1 19399499 OXMDFKUJWVQNKE-UHFFFAOYSA-N 268.360 3.755 0 40 CHAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc[nH]3)C2=O)c1 6478745 MHDSWKPFYDKLPM-NTEUORMPSA-N 298.367 3.560 0 40 CHAB O=C(N1[C@H]2CC[C@H]1CC(F)C2)C12CC3CC(CC(C3)C1)C2 1775967359 OAAANSWIPBXYGO-WOXWDQHKSA-N 291.410 3.694 0 40 CHAB O=C(O)c1c2c(nc3ccccc13)CCc1ccccc1-2 18194408 XVZLFYSVBJINQS-UHFFFAOYSA-N 275.307 3.699 0 40 CHAB O=C(CSc1cccs1)Nc1ccc(F)cc1 40082026 NSKPFYNUCKGLDB-UHFFFAOYSA-N 267.350 3.618 0 40 CHAB CC[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1C 40103567 WPLZSDYUSPGCRY-CYBMUJFWSA-N 264.344 3.931 0 40 CHAB O=C(O)C1(c2cccc(Br)c2)CCCCC1 20284501 LADNJYDIETWEEI-UHFFFAOYSA-N 283.165 3.736 0 40 CHAB O=C(O)CCc1ccc(OCc2ccccc2)c(Cl)c1 395780 DZYUXEQPUIHQEY-UHFFFAOYSA-N 290.746 3.936 0 40 CHAB Cc1ccc(CSc2nnc(-c3ccco3)n2C)cc1C 533492 JNGDSYFVXOQPMY-UHFFFAOYSA-N 299.399 3.984 0 40 CHAB COc1ccc(C)cc1NC(=O)CSc1ccccc1 578063 YVXQLAJVSKZZAZ-UHFFFAOYSA-N 287.384 3.734 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H](C)C(C)C 59036819 CQJZXRMIMKNRJK-OCCSQVGLSA-N 292.423 3.945 0 40 CHAB Cc1cc2c(cc1C)NC(=O)CC(c1ccccc1)=N2 814270 INDZHLYDGYUHKM-UHFFFAOYSA-N 264.328 3.766 0 40 CHAB CCC(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 911980 ZQOSVVDAJFJICT-UHFFFAOYSA-N 265.316 3.578 0 40 CHAB Nc1ccccc1C(=O)c1cc(Cl)ccc1Cl 2572743 UGWXFZGEDFKLSI-UHFFFAOYSA-N 266.127 3.807 0 40 CHAB CCc1c2c(nc3nc4ccccc4n13)CC(C)(C)CC2=O 4626043 GHTLCTGOWNSUAG-UHFFFAOYSA-N 293.370 3.600 0 40 CHAB CCn1c(CNC(=O)C2CCCCC2)cc2ccccc21 4973466 MMBHQTPYOGMGNE-UHFFFAOYSA-N 284.403 3.858 0 40 CHAB Cc1cc(C)c2nc(NC(=O)[C@@H]3C[C@H]3C)sc2c1 6627079 HAQZDAJZVPWEKE-PSASIEDQSA-N 260.362 3.508 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)n1 29027905 MDQDWRBBIVWMSM-UHFFFAOYSA-N 296.370 3.964 0 40 CHAB O=C(OCc1nc2ccccc2o1)c1ccc2c(c1)CCC2 8527824 HIQOQOFUQMAPTF-UHFFFAOYSA-N 293.322 3.674 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)NCCc2ccccc2)C1(C)C 356658 FHSCASJCQIFIIY-HOTGVXAUSA-N 271.404 3.584 0 40 CHAB CCC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 21149743 KKSZFIBIOYVECX-SECBINFHSA-N 266.410 3.643 0 40 CHAB CC[C@@H](N[C@H](C)CC(C)(C)OC)c1ccc(OC)cc1 37062572 IGLUDTWYPHTQNX-CZUORRHYSA-N 279.424 3.940 0 40 CHAB Cc1ccc2c(CC(=O)NCc3ccccc3F)coc2c1 2618117 RLPINPNNVVHKTN-UHFFFAOYSA-N 297.329 3.739 0 40 CHAB O=C(Nc1ccc(F)cc1F)[C@@H]1C[C@@H]1c1ccccc1 473431 CCHOTFCJTOHMGZ-CHWSQXEVSA-N 273.282 3.707 0 40 CHAB Cc1ccc(C)c(NC(=O)Cc2c[nH]c3ccccc23)c1 2620589 MOOLGWYGZJGVCW-UHFFFAOYSA-N 278.355 3.966 0 40 CHAB O=C(NCCc1ccc(F)cc1)N1CC[C@@H]1c1ccccc1 32927913 CXUADDRSEPQUPJ-QGZVFWFLSA-N 298.361 3.525 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CC 2739938 WNYYYAPMTLOVCB-GDBMZVCRSA-N 275.392 3.635 0 40 CHAB O=C(Nc1ccccc1N1CCCC1)c1cccc(F)c1 569747 GUALFCJNAIUVGM-UHFFFAOYSA-N 284.334 3.678 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1 2928359 DMUZAJJOMHMRSO-UHFFFAOYSA-N 290.366 3.716 0 40 CHAB c1ccc2sc(COc3ncnc4ccccc34)nc2c1 3266678 LEMFOTIEWSAJND-UHFFFAOYSA-N 293.351 3.819 0 40 CHAB O=C(CCC1CCCC1)N(Cc1cccnc1)C1CC1 58379370 NMKRHZOMKQHGTP-UHFFFAOYSA-N 272.392 3.543 0 40 CHAB Cc1cccc(C)c1NC(=O)C[C@H]1OC(=O)c2ccccc21 15992388 SXSYGZPAQBZQJW-OAHLLOKOSA-N 295.338 3.544 0 40 CHAB CC(C)C[C@H](NCC[C@@H]1CCCO1)c1ccccc1 38095568 DONACSAWZIPZOL-IRXDYDNUSA-N 261.409 3.933 0 40 CHAB CN(Cc1ccsc1)C(=O)c1cccc2ncccc12 12982328 JVLYSNZZZQZBSZ-UHFFFAOYSA-N 282.368 3.569 0 40 CHAB Cc1ccsc1-c1nnc(SCCOC(C)C)o1 69568741 ITNWMRFDWHEDJF-UHFFFAOYSA-N 284.406 3.624 0 40 CHAB CCc1ccc(Oc2ccc(C(=O)OC)cc2)cc1 4105361 BUWYOZFZHMKTEA-UHFFFAOYSA-N 256.301 3.828 0 40 CHAB Cn1c([C@H]2CC[C@](C)(C(=O)O)C2(C)C)nc2ccccc21 6388332 ZDWSEERXYLZOGE-PIGZYNQJSA-N 286.375 3.568 0 40 CHAB CCOc1cc(Cl)ccc1C(=O)Nc1ccccc1 8215343 HXZHJXYLCBIYKC-UHFFFAOYSA-N 275.735 3.991 0 40 CHAB Cc1csc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n1 5669768 FVGWIFRNEOOZIL-VIFPVBQESA-N 296.779 3.511 0 40 CHAB Cc1cc(C)c([C@@H](c2ccccc2)N2CCNCC2)c(C)c1 22793204 FXZOPXCXLYXBPO-HXUWFJFHSA-N 294.442 3.606 0 40 CHAB Cc1cc(C)c(NC(=O)CC2(C(=O)O)CCCC2)c(C)c1 8745646 MUXRYYVXOJMXBT-UHFFFAOYSA-N 289.375 3.585 0 40 CHAB COc1ccc([C@@H](NC(=O)C[C@@H]2C=CCC2)C(C)C)cc1 19310927 GBMUXDNENCLCQG-KDOFPFPSSA-N 287.403 3.865 0 40 CHAB COc1ccc(CCNc2ccc(C)c(C)c2)cc1 19738427 UHGMIOXZFPTYKL-UHFFFAOYSA-N 255.361 3.967 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(N)c1C 19736302 QJYYNOFUAIRWON-QGZVFWFLSA-N 298.386 3.682 0 40 CHAB CCc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2)o1 9668239 GCESSYXTOHFJKK-ZHACJKMWSA-N 271.316 3.503 0 40 CHAB C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccncc1F 97135929 DPSIOAUESAZOCZ-TZMCWYRMSA-N 299.349 3.631 0 40 CHAB Cc1cc2ncn([C@H](C)C(=O)N3CCCCCC3)c2cc1C 76556439 UILCGAPKOQWHHJ-OAHLLOKOSA-N 299.418 3.617 0 40 CHAB CC1CCN(C(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1 22533225 VUUUETFKGZGDLR-OAHLLOKOSA-N 289.419 3.836 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 36622214 CQKNLCRBHNMRQL-HOTGVXAUSA-N 297.398 3.682 0 40 CHAB CC(C)(C)SCC(=O)Nc1nc2ccccc2s1 9452099 FAKKUGQCXCUFGG-UHFFFAOYSA-N 280.418 3.767 0 40 CHAB CC(=O)N1CCC[C@H]1c1cccnc1NC1CCCCC1 72214012 GCNASWILRRCXCK-INIZCTEOSA-N 287.407 3.510 0 40 CHAB O=C(Nc1ccnc(Oc2ccccc2)c1)c1cccnc1 74076271 SXWPHVDKRUKZNC-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB CCNc1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 226283601 FOKHWVWZLQYJEB-UHFFFAOYSA-N 298.342 3.944 0 40 CHAB Cc1cccc(C(=O)N[C@H](C)c2ccccc2OC(C)C)n1 40121696 OOZGLOVKVKDIGU-CQSZACIVSA-N 298.386 3.668 0 40 CHAB CCN(CC)c1c(C=O)c(Cl)nc2ccccc12 223177883 YZZKOVZYAXLCLM-UHFFFAOYSA-N 262.740 3.547 0 40 CHAB Cc1cc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)sc1C 40108234 QBRMVSMLNQTGQO-FZMZJTMJSA-N 295.448 3.690 0 40 CHAB CC1CCC(N(C)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 225434287 KUOPHQSCCJFHPJ-KEPFICHZSA-N 263.425 3.850 0 40 CHAB O=C(Nc1ccccc1)c1cnc(-c2cccc(F)c2)nc1 137483929 ORJYDEDAGKXIFL-UHFFFAOYSA-N 293.301 3.535 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccccc2)C(=O)O)c1 225014159 AJPOCFHIUNFQTM-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CCCNC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 49266634 MWGBSHPSYAMXLR-LBPRGKRZSA-N 262.397 3.754 0 40 CHAB Cc1ccc(CN2CCC3(CCCCN3C)CC2)s1 96051196 LMVPZWYVKMSTQB-UHFFFAOYSA-N 278.465 3.507 0 40 CHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N2CCCCC2)cc1 250251520 NXDATLGEJONUCM-QILLFSRXSA-N 298.430 3.595 0 40 CHAB O=C(O)c1ccccc1-c1ccc(CNC2CCCC2)o1 257271995 NAQVUBDANYUFRV-UHFFFAOYSA-N 285.343 3.677 0 40 CHAB Cc1ccc(F)cc1C(=O)CC1(CC(=O)O)CCCC1 95634385 FDAFJRXGYJKZPN-UHFFFAOYSA-N 278.323 3.742 0 40 CHAB O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cc(Cl)c[nH]1 585125642 UFVKUPMLNXLRNO-CMPLNLGQSA-N 295.169 3.607 0 40 CHAB CCOC(=O)c1cnc2cccc(Cl)c2c1Cl 675038115 OGCKCLZDGLDNHX-UHFFFAOYSA-N 270.115 3.718 0 40 CHAB Clc1ccc(CN2CCc3ccccc3C2)cc1 14217343 ZXLRSCHFXFKVSQ-UHFFFAOYSA-N 257.764 3.898 0 40 CHAB CC(C)CCSc1nc(O)c(C2CCCCC2)c(=O)[nH]1 13453889 CSEICNIADCMLLK-UHFFFAOYSA-N 296.436 3.661 0 40 CHAB C[N+]1=C(/C=C\c2ccc(N)cc2)C(C)(C)c2ccccc21 4522482 DRDNWQHFFHEDHQ-UHFFFAOYSA-O 277.391 3.988 0 40 CHAB O=C(CCNc1ccccc1)Nc1ccc2c(c1)CCC2 32754880 SNZZANFVRDYNEE-UHFFFAOYSA-N 280.371 3.616 0 40 CHAB CC[C@@H]1C(=O)O[C@@H](c2ccc(Cl)cc2)C(C)(C)C1=O 36843 GKAGFQRGLYYHII-AAEUAGOBSA-N 280.751 3.559 0 40 CHAB CC(C)OCc1cccc(CNC(=O)C2CCCCC2)c1 40122273 BQKAKEDLYMVUNZ-UHFFFAOYSA-N 289.419 3.808 0 40 CHAB Cn1c(SCc2nc3ccccc3[nH]2)nc2ccccc21 37801 AHUGUBYWSPWDRV-UHFFFAOYSA-N 294.383 3.742 0 40 CHAB Cc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)cc1 1003666 XPSPSTGGGAJKJZ-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB O=C(NC1CCCC1)c1cccnc1Nc1ccc(F)cc1 1340607 VIZQXQZVOFYXHX-UHFFFAOYSA-N 299.349 3.637 0 40 CHAB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c(C)c2)cc1 1672854 CGPJEKIQZSYWLP-UHFFFAOYSA-N 296.775 3.725 0 40 CHAB COC[C@H](C)Nc1nc(-c2ccc(Cl)cc2)cs1 3321787 XUORCGXJOWCHIE-VIFPVBQESA-N 282.796 3.910 0 40 CHAB Cc1ccc(-c2nc3cc(C)ccn3c2CN(C)C)cc1 31933032 HEUTZEFQOHBXKK-UHFFFAOYSA-N 279.387 3.680 0 40 CHAB C[C@@H](c1ccccc1)[C@H]1OC[C@H](c2ccccc2)O1 4723107 HDPAECJQAWSMGH-XKQJLSEDSA-N 254.329 3.904 0 40 CHAB Cc1ccc(C(=O)Cn2c(C(=O)O)cc3ccccc32)cc1 4932277 VQKDIODBBRPBRA-UHFFFAOYSA-N 293.322 3.531 0 40 CHAB COc1ccc2oc(C(=O)Nc3ncccc3C)c(C)c2c1 7281430 NOAOXRKDKLNEBW-UHFFFAOYSA-N 296.326 3.706 0 40 CHAB CCOc1cccc(CNCc2ccc(F)cc2)c1 8325239 YPIZZVRGUURFHY-UHFFFAOYSA-N 259.324 3.514 0 40 CHAB CCOc1ccc(NC(=O)c2cccc(C)c2C)cc1 2639447 RHLSBDZWODOFGC-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CSc1ncccc1C(=O)Nc1ccc2c(c1)CCC2 2661823 VJRVFUNYTMGSHN-UHFFFAOYSA-N 284.384 3.545 0 40 CHAB C[C@H]1CCc2noc(NC(=O)c3ccc(Cl)cc3)c2C1 11914799 KVYHBEHWSQYMMK-VIFPVBQESA-N 290.750 3.705 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1CC 2739939 WNYYYAPMTLOVCB-HOCLYGCPSA-N 275.392 3.635 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 53357821 LBRUODHYZOIDPT-BBRMVZONSA-N 295.386 3.583 0 40 CHAB ONc1cc(C(F)(F)F)ccc1-n1cnc2ccccc21 24986849 XQFZCYYYTFFSCV-UHFFFAOYSA-N 293.248 3.845 0 40 CHAB Cc1ccc(-c2nc(C(=O)Nc3cccnc3)cs2)cc1 12516388 RBUWUDFKRCRIGP-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CCN(C(=O)CSC1CCCC1)C1CCCCC1 3257795 AORXHGQCYUHZQC-UHFFFAOYSA-N 269.454 3.843 0 40 CHAB CC[C@H]1CCCCN1CC(=O)c1ccccc1Cl 3306531 AZWYKQVSYKVSET-LBPRGKRZSA-N 265.784 3.787 0 40 CHAB Cc1ccc(CSCC(=O)NC2CCC(C)CC2)cc1 48314920 QJSXNEOETWCPDS-UHFFFAOYSA-N 291.460 3.923 0 40 CHAB CC(C)c1ccc([C@H](C)NC(=O)c2cccn2C)cc1 13006206 KLPSGTUCBIXMPU-ZDUSSCGKSA-N 270.376 3.640 0 40 CHAB Cc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 7917230 WHLBLGACZITNTL-UHFFFAOYSA-N 264.328 3.739 0 40 CHAB Cc1c(C2CC2)n[nH]c1NC(=O)c1cccc(Cl)c1 64347698 GKVLLCWBBDEJRB-UHFFFAOYSA-N 275.739 3.501 0 40 CHAB CCOc1ccc(NC(=O)/C=C/c2ccc(CC)o2)cc1 5032648 UTSZTJHXNMGFRG-VAWYXSNFSA-N 285.343 3.893 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c(C)c1 5558608 WYCSFPBETDWQSD-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@@H]1C=CCC1 14702263 QGEWJUBUJRUUSF-OAHLLOKOSA-N 295.386 3.784 0 40 CHAB Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 22511182 PMWPBSAWUULLCM-UHFFFAOYSA-N 273.763 3.921 0 40 CHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccsc1 75584146 VUNVNEGLMMDNCT-AWEZNQCLSA-N 289.448 3.867 0 40 CHAB COCCCCC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 84697757 YWQQYBUILSAQBP-DYVFJYSZSA-N 293.382 3.552 0 40 CHAB CCSCCC(=O)O[C@@H](C)c1sc(CC)nc1C 89289889 PAYFRKRTPIBLLH-JTQLQIEISA-N 287.450 3.761 0 40 CHAB Cc1cccc(C)c1Sc1ccccc1N1CCNCC1 34051849 SFYCEIJJEIQWEH-UHFFFAOYSA-N 298.455 3.864 0 40 CHAB Cc1noc(C)c1C(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 78874429 DOHCZYAKUJLAOO-FFSVYQOJSA-N 298.386 3.698 0 40 CHAB NC[C@@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 1532500604 RVTZXWQEKLGERI-GFCCVEGCSA-N 285.778 3.501 0 40 CHAB CCc1ccc([C@H](C)NC(=O)Cc2ccccc2F)cc1 36623454 PTASFAPZWFSWCX-ZDUSSCGKSA-N 285.362 3.808 0 40 CHAB Cc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)c(C)c1 36177966 MHONSZNJJQFBJP-UHFFFAOYSA-N 292.338 3.854 0 40 CHAB C[C@H](Cc1ccncc1)Nc1cc(Cl)c2cc[nH]c2n1 72156547 FBLCKRNSFJACKC-SNVBAGLBSA-N 286.766 3.654 0 40 CHAB COc1ccc(-c2nc3c(C)cc(C)cc3[nH]2)cc1OC 70462783 FIKNAWLMXAYEDC-UHFFFAOYSA-N 282.343 3.864 0 40 CHAB Cc1cccc(-c2nnc(-c3c(C)nc4sccn34)o2)c1 216602722 VRCBOTGSDVILHO-UHFFFAOYSA-N 296.355 3.730 0 40 CHAB CC(C)c1nn(-c2ccc(F)cc2)c(Cl)c1C=O 37326870 BJEZRMIEXCDDHR-UHFFFAOYSA-N 266.703 3.601 0 40 CHAB CCN1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214370 KWXYDFAYPOVDCN-ZDUSSCGKSA-N 291.395 3.585 0 40 CHAB Cc1nc(C)c(C(=O)N2CCc3sccc3[C@@H]2C)s1 48260914 XNHLFFGDTFIDFS-VIFPVBQESA-N 292.429 3.581 0 40 CHAB CN(CC(=O)O)c1cc(Cl)ccc1Oc1ccccc1 225004823 LVETXQMVQZGEFK-UHFFFAOYSA-N 291.734 3.653 0 40 CHAB O=C(O)/C=C/c1cccn1-c1cc(Cl)cc(Cl)c1 44201135 HMWPACYSGPDUBM-ONEGZZNKSA-N 282.126 3.882 0 40 CHAB O=C(C1CC1)N1Cc2ccccc2-c2ccccc2C1 89857669 HRVGYCNGOXEPAA-UHFFFAOYSA-N 263.340 3.606 0 40 CHAB CC[C@@H](C)CNCc1ccccc1Br 42419220 CSENELAXHWXZNX-SNVBAGLBSA-N 256.187 3.585 0 40 CHAB C[C@H](O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 226272874 XANLKCXHDBOYTG-NSHDSACASA-N 289.762 3.575 0 40 CHAB CN(C(=O)c1ccncc1Cl)c1cccc2ncccc12 89843468 YKXFSHKKDKXUID-UHFFFAOYSA-N 297.745 3.560 0 40 CHAB Cc1ccc(CC(=O)Nc2cncc3ccccc23)cc1 89628402 RLHWHJQBWCGSCF-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB CCc1ccccc1C(=O)Nc1ccccc1NCCOC 192558863 FGGQNYGSSQIKHI-UHFFFAOYSA-N 298.386 3.560 0 40 CHAB O=[S@](c1ccccc1-c1ccccc1)C(F)(F)F 40844998 CLDLXLKMMYJIEK-SFHVURJKSA-N 270.275 3.981 0 40 CHAB CC(C)c1cccc(C(C)C)c1NCc1nncn1C 147583103 HMCRKAMLJMCLHE-UHFFFAOYSA-N 272.396 3.674 0 40 CHAB O=C(CCn1ncc2ccc(Cl)cc21)Nc1ccccc1 96181961 GACZGGHLNOXZOG-UHFFFAOYSA-N 299.761 3.719 0 40 CHAB COc1ccc(C(=O)c2cc(C)cc(F)c2)cc1F 89064274 FTKGMFUEEJGACP-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB O=C(O)c1ccc(NC(=O)C2CCCCC2)cc1Cl 48806826 HLCNXBAYFQUXQP-UHFFFAOYSA-N 281.739 3.557 0 40 CHAB CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 524370965 MDGFHMOKXFEUQJ-DTWKUNHWSA-N 259.132 3.660 0 40 CHAB COc1ccc(OC)c(C(=O)c2cccc(Cl)c2)c1 11631610 OBAJDKNOUGANNZ-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB CCCC[C@H](CC)C(=O)NCc1ccc(OC)cc1 5591113 JGVKKFXASOGEES-AWEZNQCLSA-N 263.381 3.528 0 40 CHAB Cc1cccc(CCCNC(=O)CCc2ccccc2)c1 13670777 PDSHVCSDMFFUES-UHFFFAOYSA-N 281.399 3.677 0 40 CHAB Clc1ccc(OCc2cnc3ccccc3n2)cc1 8382130 BJDZKVLNFIAHAD-UHFFFAOYSA-N 270.719 3.862 0 40 CHAB CCOC(=O)c1sc(-c2ccccc2OCC)cc1N 37337701 NOBWBOUVXSRFMT-UHFFFAOYSA-N 291.372 3.573 0 40 CHAB CCC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 13946007 HMDUZLMQFWBACR-UHFFFAOYSA-N 271.291 3.671 0 40 CHAB C/C=C(\C)C(=O)N(C)c1ccccc1C(=O)c1ccccc1 336593 MKURPGUKNDBYNJ-LNKIKWGQSA-N 293.366 3.847 0 40 CHAB CC(C)CCC(=O)N1CCC[C@@H]1c1ccsc1 40107745 BHZZIRCMCKWUHI-CYBMUJFWSA-N 251.395 3.848 0 40 CHAB CC(C)c1ccc(C(=O)Nc2cccc(O)c2)cc1 20211982 PGSCDMVWRPEHOI-UHFFFAOYSA-N 255.317 3.768 0 40 CHAB CCn1c(-c2ccccc2)ccc1[C@H](O)C(F)(F)F 135483 BNJMAOUJRSSOLL-ZDUSSCGKSA-N 269.266 3.771 0 40 CHAB CC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 121122 DWFKAAJVFVKDBS-UHFFFAOYSA-N 281.764 3.887 0 40 CHAB Cc1ccc(Cc2cc3ccccc3oc2=O)cc1 559618 VIBKEUXOKIMZPI-UHFFFAOYSA-N 250.297 3.692 0 40 CHAB Cc1ccoc1C(=O)Nc1cccc(Br)c1 16959334 WTONWKALOKCKFF-UHFFFAOYSA-N 280.121 3.603 0 40 CHAB O=C(/C=C/c1ccncc1)Nc1cccc(C(F)(F)F)c1 29107715 CLJPBIXHEUQQTD-SNAWJCMRSA-N 292.260 3.752 0 40 CHAB CC(C)(C)C(=O)c1cc(F)cc(Br)c1O 52068569 LPEIUKHIMPPNEY-UHFFFAOYSA-N 275.117 3.523 0 40 CHAB CC(C)OCCCNC(=O)N[C@H](C)c1cccc(Cl)c1 32795189 BGHBGKPUYNNECE-GFCCVEGCSA-N 298.814 3.515 0 40 CHAB CSc1ccccc1NC(=O)Cc1ccc(F)cc1 10511930 SQTHKRYGPJXMNP-UHFFFAOYSA-N 275.348 3.729 0 40 CHAB Cc1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 2637071 RNIMYQMFFCWOQT-UHFFFAOYSA-N 294.759 3.750 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cn1 22417224 OTUAONHJNILJGM-UHFFFAOYSA-N 288.350 3.894 0 40 CHAB COC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C 752975 HVZACYGKHVGKTH-UHFFFAOYSA-N 292.338 3.634 0 40 CHAB Cc1cc(Br)cnc1N1CCc2ccccc21 42783645 ZKFMZXRSNKDUDU-UHFFFAOYSA-N 289.176 3.847 0 40 CHAB CCOc1ccc(NC(=O)C2(C)CCCCC2)cc1 1464918 JUJZUDBZMJHJGL-UHFFFAOYSA-N 261.365 3.994 0 40 CHAB CCC(CC)C(=O)OCC(=O)Nc1c(C)cc(C)cc1C 3237607 SEIKADCRYMXUGT-UHFFFAOYSA-N 291.391 3.530 0 40 CHAB CN(Cc1ccco1)C(=O)c1cc2c(F)cccc2s1 36036950 LRHQFKPALJOFAA-UHFFFAOYSA-N 289.331 3.906 0 40 CHAB CCc1cc(=O)oc2c(C)c3c(cc12)CCC(C)(C)O3 2112412 ILIPKHIGOZYNBG-UHFFFAOYSA-N 272.344 3.767 0 40 CHAB biogenic FC(F)(F)c1cccc(CCC2CCNCC2)c1 36379564 UWLCBTXSCHGZCR-UHFFFAOYSA-N 257.299 3.638 0 40 CHAB in-vitro c1ccc([C@@H](NCc2cccc3c2OCO3)C2CC2)cc1 36325161 URZHZOFVFYUBGW-QGZVFWFLSA-N 281.355 3.656 0 40 CHAB CC[C@@H]1CCc2sc(-c3nnc(S)o3)cc2C1 3887838 ZWWRMBJAUODDAT-SSDOTTSWSA-N 266.391 3.602 0 40 CHAB C[C@@H]1CN(C(=O)Nc2ccccc2)Cc2ccccc2O1 82358625 LTUMVVNAWDPZJK-CYBMUJFWSA-N 282.343 3.502 0 40 CHAB CCCn1c(NC(=O)[C@@H]2CC=CCC2)nc2ccccc21 14626183 GYIJVTDWVPYATK-CYBMUJFWSA-N 283.375 3.741 0 40 CHAB COc1ccc([C@@H](C)N2CCC(OC)CC2)cc1Cl 69845074 ABZUYSODWWTMRB-LLVKDONJSA-N 283.799 3.520 0 40 CHAB Cc1c(Cl)cccc1NC(=S)Nc1cccnc1 7526202 SIGQIOAFQFJKDX-UHFFFAOYSA-N 277.780 3.852 0 40 CHAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C 82609868 XMVDDMYXAPKGFS-SNVBAGLBSA-N 269.772 3.796 0 40 CHAB in-vitro CNCc1ccc(Oc2ccc(Br)cc2)cc1 19777078 OIAJATZDPGREMP-UHFFFAOYSA-N 292.176 3.961 0 40 CHAB COc1ccc(C(=O)Nc2ncc(C)s2)c2ccccc12 9447923 UHGZUWKEBOXKRF-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB CC1(NCc2ccc(Oc3ccccc3)o2)CCOCC1 97236055 UPXZVVSTEJDFCV-UHFFFAOYSA-N 287.359 3.731 0 40 CHAB FCc1nc2cccc(C(F)(F)F)n2c1Br 642881998 RLONEUKIIAYGAA-UHFFFAOYSA-N 297.049 3.585 0 40 CHAB c1ccc2c(c1)CCCN2Cc1ccc(-n2cccn2)cc1 20961895 OTRYRBHLOHNRPJ-UHFFFAOYSA-N 289.382 3.825 0 40 CHAB COC(=O)c1c[nH]cc1-c1ccc2ccccc2c1 39151830 WNYQSURLQKTYJH-UHFFFAOYSA-N 251.285 3.622 0 40 CHAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)nn1C 32610476 LLASVCZAZMKWMC-UHFFFAOYSA-N 291.354 3.648 0 40 CHAB Brc1cc(Br)c2occc2c1 34396645 JKOQLLPYOVTNGL-UHFFFAOYSA-N 275.927 3.958 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 74363997 GGZHODQDLMUDFT-HUUCEWRRSA-N 283.371 3.640 0 40 CHAB CCN(CC)CCNc1nc2c(C)ccc(C)c2s1 56900912 DUSYVPHXTDACIB-UHFFFAOYSA-N 277.437 3.667 0 40 CHAB CN1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72348571 GHGONBYSHAKIOK-UHFFFAOYSA-N 284.378 3.621 0 40 CHAB Cc1cc(N)ncc1[C@H]1CCCCN1Cc1ccccc1 72218527 LXFACAOXDJECOJ-QGZVFWFLSA-N 281.403 3.699 0 40 CHAB Cc1ccccc1-c1noc(Cc2ccccc2)n1 72284532 PFMFIADXIDMPBO-UHFFFAOYSA-N 250.301 3.636 0 40 CHAB CC[C@@H](C(=O)O)N1c2ccccc2[C@@H](C)CC1(C)C 223197368 WZRFSTIICCCRQH-AAEUAGOBSA-N 261.365 3.642 0 40 CHAB CC(C)c1ccc(CCCNC(=O)C(C)(C)C)cc1 223058152 CBPHWTMJSBHXAW-UHFFFAOYSA-N 261.409 3.905 0 40 CHAB CC[C@H](COc1cccc(C)c1)NC(=O)c1ccccc1C 80345900 QOASFCMBXCPYBT-MRXNPFEDSA-N 297.398 3.891 0 40 CHAB CN(C)C(=S)c1ccc(-c2ccc(F)c(Cl)c2)o1 40542476 DYYIVSQYKBQUHW-UHFFFAOYSA-N 283.755 3.976 0 40 CHAB Fc1cc(F)c(F)c(OC(Cl)(Cl)Cl)c1F 95215632 DYGPMWNLRMSDKD-UHFFFAOYSA-N 283.435 3.950 0 40 CHAB O=C(O)c1scc(Cl)c1OCc1cccc(F)c1 96510962 LORGNJHJGQYAST-UHFFFAOYSA-N 286.711 3.818 0 40 CHAB CS[C@H](C)C(=O)Nc1ccc(COC2CCCC2)cc1 96416847 TYDKCHHWMKZBBZ-GFCCVEGCSA-N 293.432 3.836 0 40 CHAB C[C@]1(CNC(=O)Nc2cccc3[nH]ccc23)CCCS1 95965341 MWFBUFZNVPROLJ-OAHLLOKOSA-N 289.404 3.575 0 40 CHAB Cc1ncsc1CN[C@H](CC(C)C)c1ccccn1 96476675 FEQZQEDNIMMYKZ-CQSZACIVSA-N 275.421 3.724 0 40 CHAB CC(C)Oc1cc(Br)cc(F)c1F 95915488 WDEQDHOYPFBSFD-UHFFFAOYSA-N 251.070 3.515 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(C(C)(C)C)cc1 575357773 PXGFBNRPHDQPNU-UHFFFAOYSA-N 276.376 3.900 0 40 CHAB COc1ccc2c(=O)c(C(C)C)c(C3CC3)[nH]c2c1 685938092 BUJVWUWDSNCGES-UHFFFAOYSA-N 257.333 3.538 0 40 CHAB C[C@H](Nc1ccc2c(c1)CCC2)c1nc(C2CC2)no1 48674230 VDPMCMAKCOQWEF-JTQLQIEISA-N 269.348 3.609 0 40 CHAB CC(C)N(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102226326 DKHHYTUZTUVUMX-DZKIICNBSA-N 288.460 3.965 0 40 CHAB Nc1cc(C(F)(F)F)ccc1NCCc1ccccc1 162767 YXAWTVXKBSZOCU-UHFFFAOYSA-N 280.293 3.942 0 40 CHAB C=Cc1ccc(COc2ccc(C=O)cc2OC)cc1 627276192 BDCOREUYDASSPJ-UHFFFAOYSA-N 268.312 3.730 0 40 CHAB O=Cc1cccc2c1ccn2Cc1ccccc1F 15424292 CPQWCXZJKDYEQK-UHFFFAOYSA-N 253.276 3.641 0 40 CHAB O=C1c2ccccc2C[C@]12O[C@@H]2c1ccc(Cl)cc1 163798 UKNPEXALSJHZHE-CVEARBPZSA-N 270.715 3.589 0 40 CHAB O=C(N1[C@H]2C=CC[C@H]1CC2)C12CC3CC(CC(C3)C1)C2 208015236 ZRZFXVIWWAYOAQ-OJYUVLBFSA-N 271.404 3.522 0 40 CHAB Cc1cccc(-n2nnnc2-c2ccc(C(C)(C)C)cc2)c1 351592 VUKSYUGWERGGPH-UHFFFAOYSA-N 292.386 3.935 0 40 CHAB COc1c(F)cc(F)cc1C(=O)C1CCCCC1 575358471 ZNGHEFBAKZKZDW-UHFFFAOYSA-N 254.276 3.736 0 40 CHAB O=C(NCC1(c2ccccc2)CCCCC1)c1ccco1 40082615 JHXHGUDYDLNLIO-UHFFFAOYSA-N 283.371 3.912 0 40 CHAB C/C=C/C=C/C(=O)N[C@@H](C)c1ccc(SC)cc1 40090512 VZZRUHKMDUTYDE-ATGJPIOOSA-N 261.390 3.718 0 40 CHAB O=C1c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 41615 XXDBYDGXMKAAGX-UHFFFAOYSA-N 291.228 3.506 0 40 CHAB Cc1nc(NC(=O)c2ccc(OC(F)F)cc2)sc1C 7685561 XIUYGLDGJUGYNY-UHFFFAOYSA-N 298.314 3.614 0 40 CHAB O[C@H](c1ccccc1)[C@@H](CN1CCCCC1)c1ccccc1 1668859 ZJQDTSJAQWHKJT-VQTJNVASSA-N 295.426 3.990 0 40 CHAB CC(CO)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1691942 LHMJUGQTNVDSET-UHFFFAOYSA-N 290.366 3.948 0 40 CHAB Nc1ccc(OC(=O)c2ccccc2)c2ccccc12 1724646 MITXUNSPJMCZOK-UHFFFAOYSA-N 263.296 3.641 0 40 CHAB CCN(CC)CCCOC(=O)c1cc2ccccc2s1 1871099 MCXZBVXOYPRAKB-UHFFFAOYSA-N 291.416 3.790 0 40 CHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@]2(C)O 4655131 JXQJDYXWHSVOEF-VPAKFMSCSA-N 286.415 3.999 0 40 CHAB Cc1cc(C)nc(S[C@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)n1 6189385 ZXXWVGOLGNDPMP-FFSVYQOJSA-N 290.432 3.579 0 40 CHAB Cc1ccc(C)c(C(=O)COc2ncnc3ccccc23)c1 2625262 FHLOXOXXJUUELR-UHFFFAOYSA-N 292.338 3.508 0 40 CHAB Cc1ccc([C@H]2C[C@H](C(F)F)n3nc(C)cc3N2)cc1 2784740 WDDIQTCHKILZSD-CHWSQXEVSA-N 277.318 3.863 0 40 CHAB Cc1ccc(OCCCn2c(=O)sc3ccccc32)cc1 2700358 KTYNPDOZYJXRTL-UHFFFAOYSA-N 299.395 3.841 0 40 CHAB ClC1(Cl)[C@H]2C=C[C@@H]3[C@@H](C[C@H]21)C3(Cl)Cl 104951837 SRGRKWCJBJKYCR-XZBKPIIZSA-N 257.975 3.786 0 40 CHAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 514251 MKRKXIXLRJNKCR-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1Cl 23555610 IMODMLZRQKPOTO-DKCNOQQISA-N 272.175 3.827 0 40 CHAB C[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccccc1 23239206 QHJKXJIYOQMDJZ-CQSZACIVSA-N 265.356 3.596 0 40 CHAB Cc1ccc(NC(=O)Nc2onc(C)c2Cl)cc1 1399431 OYWJACJKQYSVNI-UHFFFAOYSA-N 265.700 3.589 0 40 CHAB CC(=O)c1sc(-c2ccccc2Cl)nc1C 1390096 FFQIAGIQYOTAET-UHFFFAOYSA-N 251.738 3.975 0 40 CHAB CC(C)Sc1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 107521606 CCXHZRFOHGDBEH-YRGRVCCFSA-N 291.416 3.693 0 40 CHAB CCn1c2ccccc2c2cc([C@H](C)NC=O)ccc21 2004794 YUCFQWHWDZHHFY-LBPRGKRZSA-N 266.344 3.621 0 40 CHAB biogenic Cc1ccc(NC(=O)N(C)Cc2ccc(Cl)nc2)cc1 12798343 QVPJBJGBGFYDDC-UHFFFAOYSA-N 289.766 3.707 0 40 CHAB Cc1ccc(C)n1C1CCN(C(=O)Nc2ccccc2)CC1 58357654 NFRPUAGWZGHJDZ-UHFFFAOYSA-N 297.402 3.974 0 40 CHAB FC(F)(F)c1ccnc(-c2cccc3cnccc23)n1 65507601 JIWVXJWXIKJAGI-UHFFFAOYSA-N 275.233 3.711 0 40 CHAB Cc1cccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)c1 6442672 SCEIRFNZRFIPRN-UHFFFAOYSA-N 281.359 3.684 0 40 CHAB CCC[C@@H](C)NC(=O)COc1ccc2ccccc2c1 4666355 GNGBZGPEGPVQDH-CYBMUJFWSA-N 271.360 3.523 0 40 CHAB Clc1nc2ccccc2cc1CSc1ncccn1 6607838 ROHCMVZUQMJTGC-UHFFFAOYSA-N 287.775 3.971 0 40 CHAB Cc1ccc(NC(=O)c2ccccc2Cl)c(C(=O)O)c1 4905191 HPGFARNPEWZQDF-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB COc1cccc(CSc2nnc(-c3ccco3)o2)c1 7564752 OIUXSAWTWBXQOA-UHFFFAOYSA-N 288.328 3.631 0 40 CHAB C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1 7597423 UDQCKVFLGIAZDO-VIFPVBQESA-N 295.169 3.879 0 40 CHAB C[C@H](OC(=O)c1cccs1)C(=O)c1c[nH]c2ccccc12 7533445 ZEIIJBYSKONTHA-JTQLQIEISA-N 299.351 3.658 0 40 CHAB O=C(Nc1cccc2ccccc12)[C@H]1CC1(Cl)Cl 8983989 XHBPJJRKUIZBIL-LLVKDONJSA-N 280.154 3.972 0 40 CHAB CC(C)CCNC(=O)NCC12CC3CC(CC(C3)C1)C2 9448942 HDXQKLCBVDHWAM-UHFFFAOYSA-N 278.440 3.548 0 40 CHAB CC(C)(C)c1nnc(Cl)n1-c1cccc2ncccc12 71790768 MHHDKRPVGVDSQQ-UHFFFAOYSA-N 286.766 3.766 0 40 CHAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)n1cccc1 84651748 HXJOEFGEJXEJBG-CABCVRRESA-N 296.414 3.805 0 40 CHAB Oc1ccccc1-c1nc(CSc2cccs2)no1 95398118 SPZHDFMYUAXPSE-UHFFFAOYSA-N 290.369 3.796 0 40 CHAB CCS[C@@H]1CC[C@@H](N(C)Cc2csc(C)n2)C1 78947884 SPHOTXIWNLCTLH-CHWSQXEVSA-N 270.467 3.558 0 40 CHAB CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccnc(Cl)c1 78933899 VXQWCOKZQARMKH-DGCLKSJQSA-N 280.799 3.776 0 40 CHAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2cccs2)C1 72405244 KAVRGXNGUZLHRE-LLVKDONJSA-N 299.355 3.710 0 40 CHAB CC(=O)Nc1nc(C)c(Cc2ccc(Cl)cc2)s1 36639156 CRNRIWLSWPZSOA-UHFFFAOYSA-N 280.780 3.654 0 40 CHAB Cc1cccc(-n2nc3oc4ccccc4cc-3c2=O)c1C 33020889 VJYWIACFITXVQW-UHFFFAOYSA-N 290.322 3.700 0 40 CHAB Clc1cc2nn(-c3ccccc3)nc2cc1Cl 216939673 MQVHMRUFGOVSNN-UHFFFAOYSA-N 264.115 3.727 0 40 CHAB COc1cccc(C(=O)c2ccc(F)cc2Cl)c1 61845618 AYLOHOVOCZHMTI-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CC[C@H](C)Nc1ccc([C@@H]2CCCN2C(C)C)cn1 72213504 OBRGPSBTKPREKR-ZFWWWQNUSA-N 261.413 3.837 0 40 CHAB CC(C)Oc1cccc(NC(=S)NC2CCCC2)c1 225278191 QBLACRYLMNOCSQ-UHFFFAOYSA-N 278.421 3.703 0 40 CHAB O=C1[C@@H](c2ccccc2)[C@@H]2CC[C@@H](O2)[C@@H]1c1ccccc1 45027632 NCLNSCDVGHOETK-MHORFTMASA-N 278.351 3.684 0 40 CHAB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1Cl 43879400 AJTOSXBKVUQNOE-WDEREUQCSA-N 280.751 3.804 0 40 CHAB C[C@H]1CC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C1 199803089 AKRBEMYRYHZOTK-SECBINFHSA-N 294.276 3.656 0 40 CHAB Cc1ccc(C)c(-c2noc(-c3ccc(N)cc3)n2)c1 89262398 ZTHDGDCUFGOJJO-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB C[C@H](N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1cnccn1 90974629 DWSHQHCTHHVTQY-DUVNUKRYSA-N 279.387 3.692 0 40 CHAB CCCCOc1c(F)cc(F)cc1Br 95915365 JSBRGKMUIOBLBH-UHFFFAOYSA-N 265.097 3.906 0 40 CHAB Cc1ccc([C@H](C)NCc2nc3cc(F)ccc3o2)o1 97374025 MXFSXPNYTXAWIL-JTQLQIEISA-N 274.295 3.719 0 40 CHAB O[C@H](CCC1OCCCO1)c1cccc(Cl)c1Cl 95728438 LWKUDSVWWLLABC-LLVKDONJSA-N 291.174 3.570 0 40 CHAB COc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1C 117697454 KDUOVUTXOJWFSC-UHFFFAOYSA-N 259.261 3.704 0 40 CHAB C[C@@H](c1ccccc1)N1CCN(C)c2ccccc2C1 84656500 JPNZJIZHVVWEDW-HNNXBMFYSA-N 266.388 3.700 0 40 CHAB CC[C@@H](C)[C@H]1CC1(Br)Br 1711599 FRDCOCGDTNKQFV-PHDIDXHHSA-N 255.981 3.539 0 40 CHAB Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1N 19403485 KEBPWVLVSZMAIA-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB C[C@H]1CCC[C@@H](N2CCN(Cc3ccc(F)cc3)CC2)C1 19842485 ZURHLWABVSCWRZ-MAUKXSAKSA-N 290.426 3.522 0 40 CHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)c1ccccc1 1725456 FXYBLJJXHQXMTH-ZHACJKMWSA-N 278.760 3.785 0 40 CHAB C[C@@H]1CCCC[C@H]1N(C)CCC(=O)Nc1ccccc1 32777678 CJQIVLRRDCRIRZ-GDBMZVCRSA-N 274.408 3.526 0 40 CHAB O=C(COc1ccccc1)c1ccc(Cl)s1 35183931 JSRWBNNDPJOQQN-UHFFFAOYSA-N 252.722 3.663 0 40 CHAB C[C@@H](NC(=O)CCNc1ccccc1)c1ccccc1F 40069630 OKPGPIVSXJPPCW-CYBMUJFWSA-N 286.350 3.505 0 40 CHAB Cc1nc(CNc2ccccc2OC(F)(F)F)cs1 20252964 DZEJRVCZPKVMAI-UHFFFAOYSA-N 288.294 3.962 0 40 CHAB O=C(Nc1ccccc1Cl)c1c(F)cccc1F 128525 WZMDPNUUJCCJKA-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB CC[C@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 281535 FFNQBCWXGWQYOV-UWVGGRQHSA-N 271.813 3.735 0 40 CHAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1cccs1 111948 IKCFXYAFHJDYLF-LBPRGKRZSA-N 292.400 3.892 0 40 CHAB CCO[C@@](C)(c1ccc(Cl)cc1)C1CCNCC1 1568032 PNUYOXJICDSTHX-HNNXBMFYSA-N 267.800 3.591 0 40 CHAB CCOC(=O)C(C)(c1ccccc1)c1ccccc1 1670085 WNARIONNXAAJQE-UHFFFAOYSA-N 254.329 3.556 0 40 CHAB O=C(O)c1ccccc1C(=O)O[C@@H]1CCCc2ccccc21 1684905 FZBWIPGCMHFRTD-MRXNPFEDSA-N 296.322 3.619 0 40 CHAB Nc1cccc(C(=O)Nc2cccc3ccccc23)c1 3154274 CXFXMMJKNQXDGC-UHFFFAOYSA-N 262.312 3.674 0 40 CHAB Cc1cc(C)c(NC(=O)CC[C@@H]2CCCO2)c(C)c1 31872665 KOUKILMDLOFQES-AWEZNQCLSA-N 261.365 3.510 0 40 CHAB Cc1ccn2c(CN(C)C)c(-c3ccc(C)c(C)c3)nc2c1 31933035 NPWZSOWVHIQLBT-UHFFFAOYSA-N 293.414 3.988 0 40 CHAB COC(=O)c1cc2occc2n1Cc1ccccc1Cl 6820459 BZJXGNONLJJBAY-UHFFFAOYSA-N 289.718 3.723 0 40 CHAB CSc1ccccc1C(=O)c1ccccc1CN1CCC1 2515607 NBBXAXTUDMEHIL-UHFFFAOYSA-N 297.423 3.845 0 40 CHAB O=C(NCCc1ccccc1)c1sccc1-n1cccc1 32895335 BTMQBECSZNAFRA-UHFFFAOYSA-N 296.395 3.511 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]2C1 101500708 XJKWMKHHNXXTKP-GASCZTMLSA-N 283.371 3.539 0 40 CHAB O=C(Nc1nc2ccccc2s1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 107362146 MXANXSLZWNMMIF-VDUILEQBSA-N 284.384 3.527 0 40 CHAB O=C(c1cc(F)cc(F)c1)N1CC=C(c2ccccc2)CC1 3534412 UFRMMATVRBHLPH-UHFFFAOYSA-N 299.320 3.894 0 40 CHAB CCC(CC)c1nnc(NC(=O)/C=C/c2ccco2)s1 3558559 IQFQTDYPOBRKEW-BQYQJAHWSA-N 291.376 3.687 0 40 CHAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(Cl)cc1Cl 49543953 MSHJHMHXFLAGCL-SECBINFHSA-N 296.157 3.851 0 40 CHAB CCc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 6219290 DMIUHEDQTCOPJT-UHFFFAOYSA-N 295.382 3.755 0 40 CHAB CCC(CC)C(=O)NCc1csc(-c2ccccc2)n1 15832431 VNCPDPGCEFAGDF-UHFFFAOYSA-N 288.416 3.863 0 40 CHAB CN(C)C(=O)c1ccc(OCc2ccccc2Cl)cc1 7700032 RENAYECOZYDXSK-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB Cc1ccc([C@@H](O)CN[C@H](C)CCc2ccccc2)cc1 76082208 AEOIERRZSZMVIE-APWZRJJASA-N 283.415 3.639 0 40 CHAB Oc1c(Cl)cc(C(F)(F)F)cc1Br 218905267 OFKUAZXWDAYDPN-UHFFFAOYSA-N 275.451 3.827 0 40 CHAB CCCCCNC(=O)c1ccc2nc(CC)c(CC)nc2c1 36022415 NWMIMLPTZVWVQM-UHFFFAOYSA-N 299.418 3.675 0 40 CHAB COCc1nc2cc(Sc3ccccc3)ccc2[nH]1 39411588 CFQMARFZCOQJMH-UHFFFAOYSA-N 270.357 3.861 0 40 CHAB in-vitro CC[C@@H](C)Nc1ncccc1[C@H]1CCCCN1CC 72213423 XBZOOGRKJNEXNL-UKRRQHHQSA-N 261.413 3.839 0 40 CHAB Fc1cccc(CNCc2csc(C3CCC3)n2)c1 227154267 UVWFZVHOZZCWJB-UHFFFAOYSA-N 276.380 3.840 0 40 CHAB CC[C@H](C)Oc1cccc([C@@H](C)NC[C@@H]2CCCO2)c1 225167843 JLUASHWRFHLWRX-VBQJREDUSA-N 277.408 3.694 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)c1cccc(F)c1 40162162 DARXIOJTNUPRLG-UHFFFAOYSA-N 283.755 3.813 0 40 CHAB Cc1cc(CNCC(C)C)c(C)n1Cc1ccccc1 223661646 NCSHMYHEVWFCFO-UHFFFAOYSA-N 270.420 3.899 0 40 CHAB Cc1ccc(O[C@@H](Cc2cccc(C)c2C)C(=O)O)cc1C 225023482 HECUTRJSXVMTTG-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1 225600825 AMCDFFNUYLCBFK-MRXNPFEDSA-N 279.380 3.619 0 40 CHAB C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)c(C[S@@](C)=O)c1 195561879 UEOISBBFTDMTSI-FWVNDXEPSA-N 285.840 3.819 0 40 CHAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(F)cc1 223231744 SZMYEDSPMFWRJC-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB CNc1cccc(NC(=O)c2cc3ccccc3o2)c1 226285661 IPWCZJJIFXOMEU-UHFFFAOYSA-N 266.300 3.727 0 40 CHAB COc1cc(OCc2ccccc2Cl)c(C(=O)O)s1 96510888 IYDCQSYUHRJBNX-UHFFFAOYSA-N 298.747 3.687 0 40 CHAB CC[C@H](C)Nc1nc(N[C@@H](C)CC)nc(N[C@@H](C)CC)n1 255189171 OEPDXZREYVLSAP-SRVKXCTJSA-N 294.447 3.503 0 40 CHAB O=C1c2ccccc2-n2ccc3nc4ccccc4c-3c21 601032745 RATBZEFQFKMQDI-UHFFFAOYSA-N 270.291 3.675 0 40 CHAB biogenic,in-vitro COc1cc(C(=O)C(Cl)(Cl)Cl)cc(F)c1F 382673642 HFJOWHJMPKFHKT-UHFFFAOYSA-N 289.492 3.526 0 40 CHAB COc1ccc(Nc2n[nH]c(-c3ccc(C)cc3)n2)cc1 675031850 QBCHQZFRHZJDAF-UHFFFAOYSA-N 280.331 3.532 0 40 CHAB CC(=O)c1c(F)cccc1N1CCc2ccccc2C1 15111389 YYUCJTDTDDACFN-UHFFFAOYSA-N 269.319 3.591 0 40 CHAB c1ccc(NCCCNCc2cnc(C3CC3)s2)cc1 89845699 HKZHPVJWIKWPFM-UHFFFAOYSA-N 287.432 3.612 0 40 CHAB COCCS[C@@H](C)c1ncc(-c2ccccc2)o1 89913771 OUDVRWAOZKHWRP-NSHDSACASA-N 263.362 3.782 0 40 CHAB Nc1ccc(Oc2cccc3ocnc23)c(Cl)c1 80443132 XSFDOJQLORNRFY-UHFFFAOYSA-N 260.680 3.856 0 40 CHAB O=C(Nc1ccc(F)cc1)c1nc2ccccc2s1 4739770 HBXWMPRRMQZPAY-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB COc1cc(C)ccc1NC(=O)/C=C/c1ccccc1 1925572 VGFOMRNGOACZHH-PKNBQFBNSA-N 267.328 3.656 0 40 CHAB CCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 32795122 IUUOHPFRCBCEKR-UWVGGRQHSA-N 270.323 3.514 0 40 CHAB O=C(NCc1cc(-c2ccoc2)cs1)NC1CCCC1 1775969753 JORQXCHMRRSRFI-UHFFFAOYSA-N 290.388 3.750 0 40 CHAB Cc1cccc(NC(=O)Nc2c(F)cccc2F)c1 19075111 KKTZFPKEHLGQIY-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB S=C1CO[C@H](c2ccccc2)N1c1ccccc1 81115 UCYWHNDOEJMQLF-OAHLLOKOSA-N 255.342 3.549 0 40 CHAB CCc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1C 40118973 WMTVVFPTXGTUCB-UHFFFAOYSA-N 299.399 3.676 0 40 CHAB Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C(C)(C)C)[nH]n2)cc1 30421806 JAHSPTONVBXQMS-ZDUSSCGKSA-N 299.418 3.892 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)Cc1cccc(F)c1 7406700 UJVNHVMGTLTRNS-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CCOP(=O)(CC(=O)c1cc2ccccc2[nH]1)OCC 1558404 IHWNYLCGGXVWIN-UHFFFAOYSA-N 295.275 3.617 0 40 CHAB Cc1ccc(Cl)cc1C(=O)c1ccccc1C(=O)O 1603122 ZFIBSUORBHNTBC-UHFFFAOYSA-N 274.703 3.578 0 40 CHAB CCOC(=O)[C@H](CCc1ccccc1)c1ccccc1 2036205 SJMGLWKVOOIJRS-QGZVFWFLSA-N 268.356 3.966 0 40 CHAB CCCCc1ccc(NC(=O)c2ccc(N)cc2)cc1 11737170 GCPNYYXFDSGAPA-UHFFFAOYSA-N 268.360 3.864 0 40 CHAB O=C(O)c1cccnc1SCc1cccc(Cl)c1 217956 ONBMZOJNFAGKFT-UHFFFAOYSA-N 279.748 3.726 0 40 CHAB FC(F)(F)c1n[nH]c(SCc2ccc(Cl)cc2)n1 6512367 FDZCLGROJMHINZ-UHFFFAOYSA-N 293.701 3.769 0 40 CHAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)C=C[C@H]12 32271508 KAECVEVIXKMEOP-QQXKLLMISA-N 284.399 3.688 0 40 CHAB CCCn1cnc2cc(NC(=O)c3cccs3)ccc21 350245 MCSFXOOAQRIUGA-UHFFFAOYSA-N 285.372 3.760 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C)c2)cc1 364563 NGNDZNCTHMECMB-CQSZACIVSA-N 269.344 3.709 0 40 CHAB CC(C)CNC(=O)c1ccc(-c2ccccc2)cc1 361984 KQPDTYUERFXCTA-UHFFFAOYSA-N 253.345 3.739 0 40 CHAB CCOC(=O)c1sc(-c2sccc2C)nc1C 32808919 MQYOOEBJBDDVNH-UHFFFAOYSA-N 267.375 3.665 0 40 CHAB O[C@@]1(c2ccccc2)c2ccccc2N=C2CCCCCN21 482089 HRVYRYGFPZSANZ-IBGZPJMESA-N 292.382 3.800 0 40 CHAB CC(C)(C)C1=NN(c2ccc(Br)cc2)C(=O)C1 100864266 QMPCWTXZTBCNFY-UHFFFAOYSA-N 295.180 3.588 0 40 CHAB CCCn1nc(NC(=O)CC)c2cc3cc(C)ccc3nc21 525280 KDYCHMORDPVTAQ-UHFFFAOYSA-N 296.374 3.651 0 40 CHAB CCCOc1ccccc1C(=O)CC(=O)c1ccccc1O 113704259 UKQDFFGYEHBDMV-UHFFFAOYSA-N 298.338 3.637 0 40 CHAB O=C(/C=C/c1ccco1)N1CCCSc2ccccc21 7718893 YEQSXOPJGUOOID-CMDGGOBGSA-N 285.368 3.822 0 40 CHAB Cc1noc(C)c1CCC(=O)N[C@@H](C)CCCC(C)C 44999553 DLCLQWZMBLHBQN-LBPRGKRZSA-N 280.412 3.555 0 40 CHAB N[C@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 36379702 RFWDQVNFSXQMMI-MRVPVSSYSA-N 258.070 3.946 0 40 CHAB in-vitro O=C(Nc1ccccc1)NC1CCC(C(F)(F)F)CC1 12766132 RJEJCOWAALFMAK-UHFFFAOYSA-N 286.297 3.929 0 40 CHAB O=C(c1ccoc1)N1CCC[C@@H]1c1nc2ccccc2s1 12924578 NDLHYMRDKZJORM-CYBMUJFWSA-N 298.367 3.867 0 40 CHAB O=C(CCC1CCCC1)Nc1ccc2c(c1)CCN2 63188044 AAODUKUNWHOUOT-UHFFFAOYSA-N 258.365 3.564 0 40 CHAB COc1ccc(/C=C2/C(O)=Nc3ccccc32)c(OC)c1 13786144 PSRHWNITWXEJJW-NTEUORMPSA-N 281.311 3.846 0 40 CHAB Fc1ccc(-c2csc3ncnc(N4CCC4)c23)cc1 14244881 GDVZPKAIDPSTGY-UHFFFAOYSA-N 285.347 3.708 0 40 CHAB COc1ccccc1-c1ccc(CC[C@H](C)N)cc1 82706886 VGSMCLILACKJIS-ZDUSSCGKSA-N 255.361 3.642 0 40 CHAB CC(C)O[C@H]1C2=C(CCCC2)C(=O)N1Cc1ccccc1 8952278 IFUXNCVYYVXJOX-SFHVURJKSA-N 285.387 3.651 0 40 CHAB Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c(O)c1 9337078 JMXYSSKNGBFKKP-STQMWFEESA-N 285.318 3.582 0 40 CHAB Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 9738229 MEPTYJREZOCIHZ-UHFFFAOYSA-N 259.259 3.681 0 40 CHAB Cc1cc(C(=O)Nc2ccnn2C2CCCCC2)c(C)o1 9500445 IQEADWOOWZSANY-UHFFFAOYSA-N 287.363 3.850 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1ccsc1 9585778 IWZUDNJFXUFWHW-AWEZNQCLSA-N 257.358 3.556 0 40 CHAB COc1cc(C(=O)NC2CCC(C)CC2)nc2ccccc12 72329553 POSQYBSMRVWBOB-UHFFFAOYSA-N 298.386 3.552 0 40 CHAB C[C@@H](NCc1ccco1)c1ccc(F)cc1OC(F)F 95419195 ZYMSPWUMUQQYJQ-SECBINFHSA-N 285.265 3.871 0 40 CHAB CC[S@](=O)Cc1ccc(OC)c(SC(F)(F)F)c1 89104820 AJPKSRAQCHYNNX-GOSISDBHSA-N 298.351 3.576 0 40 CHAB Cc1cnc(NC(=O)C2(c3cccs3)CCCC2)s1 36709799 YBXBSSVQSQUDLQ-UHFFFAOYSA-N 292.429 3.964 0 40 CHAB Cc1ccccc1C(=O)Oc1c(C)cc(C(=O)O)cc1C 216726859 ANWFCLAIFWKNMM-UHFFFAOYSA-N 284.311 3.529 0 40 CHAB NC(=O)CCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 216924719 GGGUMESUAABRAB-UHFFFAOYSA-N 284.142 3.671 0 40 CHAB CC(C)N1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)C1 49169453 YNOQXGFXWKQGDH-LBPRGKRZSA-N 291.782 3.588 0 40 CHAB biogenic,in-vitro Cc1cccc(OCC(=O)N[C@H](C)CCc2ccccc2)c1 49535348 NHHBSPFHRAGPMX-MRXNPFEDSA-N 297.398 3.511 0 40 CHAB O=C(Cc1ccc(F)cc1)N(Cc1ccsc1)C1CC1 44446522 RNANQIXFFGEOCO-UHFFFAOYSA-N 289.375 3.621 0 40 CHAB COc1ccc(C(=O)NCC2CCCCC2)cc1Cl 225203974 UCRGUZBHEXFFOV-UHFFFAOYSA-N 281.783 3.659 0 40 CHAB O=C(Nc1ccccc1)Nc1ccc(C(=O)O)c(Cl)c1 48807519 DPMHAZQCIBUHNJ-UHFFFAOYSA-N 290.706 3.682 0 40 CHAB FC(F)(F)c1cccnc1N1Cc2ccccc2C1 106065825 DIAUBEVESPDGRK-UHFFFAOYSA-N 264.250 3.621 0 40 CHAB Fc1c(Br)cc2ncoc2c1C(F)(F)F 169800922 BQHCOSBKTDUFLN-UHFFFAOYSA-N 284.006 3.748 0 40 CHAB O=C(C1CC1)N1CCS[C@H](c2ccccc2Cl)CC1 211146969 ZGTWOAAGPWLTTQ-AWEZNQCLSA-N 295.835 3.757 0 40 CHAB C[n+]1cccc([C@@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@H]32)c1 12655910 RSUINDYISXUKNH-YRXWBPOGSA-N 284.423 3.868 0 40 CHAB Cc1cccc(-n2c(S)nnc2-c2ccccc2O)c1C 13535829 GEJHQENZKKVIIB-UHFFFAOYSA-N 297.383 3.545 0 40 CHAB COc1ccccc1[C@@H](C)NC(=S)Nc1ccccc1 16317339 IAFYATQBLDNFGG-GFCCVEGCSA-N 286.400 3.743 0 40 CHAB CCN(Cc1nc2ccccc2nc1C)c1ccccc1 16681404 LIHSLAJNFNOVDF-UHFFFAOYSA-N 277.371 3.965 0 40 CHAB CCSc1c(O)c2ccccc2c2oc(=O)sc12 16693637 YGWDMXZJSKZUCD-UHFFFAOYSA-N 278.354 3.825 0 40 CHAB O[C@H](/C=C/c1ccccc1)CCN1CC[C@@H]2CC[C@@H](C2)C1 17378386 JYGDXORVNYESLN-PEEKWUTASA-N 285.431 3.573 0 40 CHAB Cc1ccc(CNc2ccccc2Br)o1 19922558 OUTOCBHFPGEEKY-UHFFFAOYSA-N 266.138 3.963 0 40 CHAB CO[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1ccccc1Cl 121847687 MHPXTXOHBIUXLM-DOMZBBRYSA-N 293.794 3.500 0 40 CHAB COc1ccc(NCc2ccc3[nH]ccc3c2)cc1 15424283 XSOIJNZQMSCTHP-UHFFFAOYSA-N 252.317 3.789 0 40 CHAB O=C(Cc1cccc2ccccc12)NCc1ccccc1 363513 GVSHHXQYKFIIRJ-UHFFFAOYSA-N 275.351 3.699 0 40 CHAB Cc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1 199425237 FAKZYZYSFVGBEY-UHFFFAOYSA-N 282.431 3.559 0 40 CHAB CON[C@@H](C)Cc1c(Cl)cc(Cl)cc1Cl 118734558 YEYSNJKFDGOAAP-LURJTMIESA-N 268.571 3.729 0 40 CHAB in-vitro CCCCCC[C@@]1(C)NC(=S)N(c2ccc(C)cc2)N1 3668065 AOVSBDMUJYLOMN-INIZCTEOSA-N 291.464 3.881 0 40 CHAB Fc1cccc(CSc2ccc(-c3cccnc3)nn2)c1 4391869 ABTAYBPCELAMBH-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB C[C@@H]1CCCCN1CCCCOc1ccc(C=O)cc1 206991457 CPBFCBUKTPVXSC-OAHLLOKOSA-N 275.392 3.533 0 40 CHAB CCC(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 69809152 RHWXCGUOOPBXNE-AWEZNQCLSA-N 299.418 3.733 0 40 CHAB CC[C@@H](c1ccc(O)cc1)[C@@](O)(CC)c1ccc(O)cc1 1600169 MGFPGOSFEBGPKB-ZWKOTPCHSA-N 286.371 3.889 0 40 CHAB CCOc1ccc(Nc2cc(=O)[nH]c3ccccc23)cc1 245546 CZBZEUNQQPHWRI-UHFFFAOYSA-N 280.327 3.670 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CNc1ccc(F)cc1 7971627 OGWNUYVVNPPWEG-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB CC1(OC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C2CC3CC(C2)CC1C3 100078221 OJGSGTWNQWAFBE-RDRPVJBPSA-N 286.415 3.957 0 40 CHAB COc1cccc2cc(C(=O)Nc3ccccc3)oc12 8736263 VWMMYZWXVOPVIG-UHFFFAOYSA-N 267.284 3.694 0 40 CHAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccccc2)cc1 20040539 JROKWYSHVSXBNG-SFHVURJKSA-N 297.398 3.895 0 40 CHAB O=C(O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 20158781 SEPDJJDBRQSWRC-UHFFFAOYSA-N 273.675 3.846 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 55276211 MYUSZVUJXIQZPL-MRVPVSSYSA-N 261.243 3.570 0 40 CHAB Cc1cc(NC(=O)[C@H]2CC=CCC2)n(-c2ccccc2F)n1 57991020 JLIWWCORZGQZHI-ZDUSSCGKSA-N 299.349 3.615 0 40 CHAB CC[C@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1 10423653 AEWGHYFXKMJTAZ-ZDUSSCGKSA-N 263.724 3.814 0 40 CHAB Cc1cc(C(=O)NCc2ccccc2F)c(C)n1C(C)C 7755087 NZGMAXCQYODNDE-UHFFFAOYSA-N 288.366 3.755 0 40 CHAB C=CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 90734558 SIUWVNPSCXDSQH-UHFFFAOYSA-N 264.284 3.619 0 40 CHAB Cc1noc(C)c1[C@H](C)C(=O)Nc1nc(C(C)C)cs1 69516011 NLWMQKHCUHAYPC-QMMMGPOBSA-N 293.392 3.614 0 40 CHAB O=C(OC1c2ccccc2-c2ccccc21)C1CC1 6058202 OFYOQOBJMZBBQC-UHFFFAOYSA-N 250.297 3.710 0 40 CHAB Cc1ccoc1C(=O)N1CCCCC[C@H]1c1ccncc1 49765036 KYKMBYFUFJHTAK-HNNXBMFYSA-N 284.359 3.741 0 40 CHAB O=C(N[C@@H]1CCCc2occc21)c1c(F)cccc1Cl 69389405 XFMACOKHCPYGSE-GFCCVEGCSA-N 293.725 3.880 0 40 CHAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCCCCC1 20105153 OTGCUVALTHNHKS-OAHLLOKOSA-N 289.419 3.980 0 40 CHAB COc1ccccc1NC(=O)c1ccc2ncsc2c1 14129003 KBOJQDAYWDLTRQ-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB CC(=O)Nc1ccccc1OCc1cc(C)ccc1C 5442596 RERJGVQBMSWNQB-UHFFFAOYSA-N 269.344 3.841 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(Br)cc2F)o1 5618459 QNRITUUPVKBHSJ-UHFFFAOYSA-N 298.111 3.742 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CC1 6882301 NYLPCGPONPUBPU-INIZCTEOSA-N 293.410 3.856 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cccs1 6889239 XFGQUYKBNYCOGZ-XFFZJAGNSA-N 261.733 3.894 0 40 CHAB NC(=O)Nc1ccc(-c2csc(-c3ccoc3)n2)cc1 69842153 PHKMOZKCGPWFRA-UHFFFAOYSA-N 285.328 3.561 0 40 CHAB C[C@H](N)Cc1cn(Cc2ccccc2)c2ccccc12 4959766 GDRWQEOJSGTFNQ-AWEZNQCLSA-N 264.372 3.579 0 40 CHAB COc1cc(OC)c(NC(=O)C[C@@H]2C=CCC2)cc1Cl 9691153 KHPHZQZKMGVKHJ-SNVBAGLBSA-N 295.766 3.652 0 40 CHAB Cc1noc([C@H](C)Sc2ccccc2Cl)n1 71186311 WSSNTKGPRIWAMD-ZETCQYMHSA-N 254.742 3.885 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(F)ccc1F 9255967 APNHETRDXRUSTC-UHFFFAOYSA-N 286.281 3.627 0 40 CHAB CC[C@@H](C)NC(=O)c1cc(C2CC2)nc2ccccc12 9516980 PVXNKPQEAMDRIP-LLVKDONJSA-N 268.360 3.641 0 40 CHAB O=C(NCCC(F)(F)F)c1ccc(Oc2ccccc2)o1 79013319 FKLXYIDKFJFKOO-UHFFFAOYSA-N 299.248 3.754 0 40 CHAB CN(C(=O)c1ccc(Cl)c2cccnc12)c1ccccn1 98012568 VVXRHZJXTFZHPT-UHFFFAOYSA-N 297.745 3.560 0 40 CHAB CCOc1cc2c(cc1OC)CCN(C)[C@H]2CC(C)C 3847398 SVKASDAOKTXBIR-HNNXBMFYSA-N 277.408 3.669 0 40 CHAB biogenic Oc1nc(SCc2ccc(F)cc2)nc2sccc12 408597869 VCYCQAIOHYMLJX-UHFFFAOYSA-N 292.360 3.828 0 40 CHAB COc1ccc(F)cc1C(=O)c1cc(Cl)ccc1F 37362344 JAIHVXOHQORKJW-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB CC(C)(N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 72232999 BWWQVJIHVIRPIY-UHFFFAOYSA-N 271.204 3.918 0 40 CHAB C[C@@H](O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 70453327 WHOGNKUXQJMVBC-JEBQAFNWSA-N 268.356 3.750 0 40 CHAB Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)O 49632730 BJFRAJCUGIITQB-UHFFFAOYSA-N 273.332 3.575 0 40 CHAB COc1cccc(C(=O)c2cc(Cl)ccc2Cl)n1 45028761 SKNZUPMIPOVWPY-UHFFFAOYSA-N 282.126 3.628 0 40 CHAB Cc1cc(CSc2nnc(C)n2C2CCCCC2)on1 40010043 YUSPHGTVFQEDCS-UHFFFAOYSA-N 292.408 3.680 0 40 CHAB COc1c(Cl)cc(Br)c2cccnc12 225393376 WLGBMOYOPFWXOB-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB OCc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 135889580 BWQUVOQHTSQBHD-UHFFFAOYSA-N 295.182 3.765 0 40 CHAB CCCN(CCC)C(=O)c1ccc2oc(Cl)nc2c1 225977806 YMSNRRTUXQIUJM-UHFFFAOYSA-N 280.755 3.743 0 40 CHAB C[C@@H]1CSc2ccccc2[C@H]1NCc1cccnc1 95427020 RACKREXTFQOYNZ-WBMJQRKESA-N 270.401 3.654 0 40 CHAB CC(C)n1nccc1NC(=O)N1C[C@@H](C)CCC[C@@H]1C 98014221 KPZNRVYOJZPIHZ-STQMWFEESA-N 278.400 3.506 0 40 CHAB COc1ccc([C@H](C)NC(=S)NC2CCCCC2)cc1 13932711 QFJMLBQYQVQMOD-LBPRGKRZSA-N 292.448 3.553 0 40 CHAB CCCCCC[C@@H](C)NCCOC(=O)c1ccccc1 5973090 WGAQQWPWRYEDCJ-OAHLLOKOSA-N 277.408 3.792 0 40 CHAB CC(C)/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1 13609541 UNKLXXQIEIUMSA-ISLYRVAYSA-N 295.411 3.910 0 40 CHAB COc1cccc(-c2ccnc3c2C(=O)C[C@@H](C)C3)c1 14164014 GSOBRNMVLUUXHQ-NSHDSACASA-N 267.328 3.522 0 40 CHAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 15366671 MJEFYIRREPGQSM-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB C[C@H]1C[C@H](C)CN([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 16475843 MXNXUGZLEBGSEG-AVGNSLFASA-N 294.826 3.645 0 40 CHAB O=C(NC1CCCC1)C1(c2cccc(Cl)c2)CCC1 24600636 AYSOSNKEMJYNNA-UHFFFAOYSA-N 277.795 3.821 0 40 CHAB c1cncc(CN2CCC(c3cccs3)CC2)c1 575604154 RKMRZWNAUNKXBD-UHFFFAOYSA-N 258.390 3.523 0 40 CHAB CCn1/c(=N\C(=O)C(C)(C)C)sc2cc(Cl)ccc21 12180833 NAHMERCSKSLLBS-DTQAZKPQSA-N 296.823 3.850 0 40 CHAB CC(C)n1cnnc1SCCOc1ccccc1Cl 40161890 QNWZRMWHGNPDPP-UHFFFAOYSA-N 297.811 3.684 0 40 CHAB COc1ccccc1/C=C/C(=O)N1CCCc2ccccc21 149680 JLLCYNZVXVSFDC-OUKQBFOZSA-N 293.366 3.688 0 40 CHAB Cc1ccc(NC(=O)c2c(C)nc3ccccn23)c(C)c1 928598 FSVCNPMZXNFMEG-UHFFFAOYSA-N 279.343 3.512 0 40 CHAB COC(=O)C[C@H]1CCc2ccccc2[C@H]1c1ccccc1 1632902 RJKXANGMEGTSQG-APWZRJJASA-N 280.367 3.944 0 40 CHAB CN(C)C(=O)C1CCC(CC2CCCCC2)CC1 1697809 BNISYVBONVIDOL-UHFFFAOYSA-N 251.414 3.851 0 40 CHAB Cc1cc(=O)oc2cc(OC(=O)Nc3ccccc3)ccc12 1752959 YACMRJAQFAZRDM-UHFFFAOYSA-N 295.294 3.712 0 40 CHAB O=C(c1ccccc1)c1ccccc1CN1CCCCC1 2515487 PLDWVFNHNCLBKJ-UHFFFAOYSA-N 279.383 3.904 0 40 CHAB CC1(C)C[C@@]2(C)CC3=C([C@H](CO)C(C)(C)C3)[C@](CO)(C1)C2 101044909 HFSMBLYAAAYWSS-GDIGMMSISA-N 292.463 3.920 0 40 CHAB CC(C)CCNC(=O)CSc1ccc(Cl)cc1 6306705 PWCAFHDBPWNUGF-UHFFFAOYSA-N 271.813 3.594 0 40 CHAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OC(C)(C)CC3 491023 GSBLIRJRBZBGIJ-UHFFFAOYSA-N 272.344 3.822 0 40 CHAB biogenic CCc1nn2cc(-c3ccc(C)cc3C)nc2s1 7995010 RHOJHLVZZAGQRZ-UHFFFAOYSA-N 257.362 3.637 0 40 CHAB C[C@@H](NC(=O)C1CCCC1)c1ccc(-n2cccc2)cc1 28221129 BENZKIXYENRBFL-CQSZACIVSA-N 282.387 3.845 0 40 CHAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCCCC2)c(Cl)c1 25404505 PQWPHZZSYOEZDM-ZDUSSCGKSA-N 294.826 3.770 0 40 CHAB COc1ccc(C)cc1CCNCc1ccc(C)s1 25639004 DPSIDMBJCJODHS-UHFFFAOYSA-N 275.417 3.706 0 40 CHAB NC(=O)/C=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 44262091 KDPLWYOEXHSIFD-UTCJRWHESA-N 282.126 3.752 0 40 CHAB c1ccc2c(CN3CCCN4CCC[C@@H]4C3)cccc2c1 58378177 IRPVZGCJVHYJPY-GOSISDBHSA-N 280.415 3.510 0 40 CHAB Cc1ccnc(C(=O)c2c(Cl)cccc2Cl)c1 45028636 CANZZZRTGXZRPQ-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CC(C)(C)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 48326470 LBMXIAHPLFEAIA-LSDHHAIUSA-N 293.382 3.598 0 40 CHAB CCC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2)cc1 48356312 LCTGGQOLXDFVRQ-UHFFFAOYSA-N 297.358 3.988 0 40 CHAB Cc1ccc(NC(=O)NCCCc2ccccc2)cc1F 13320201 BRMYHHVCBLRYOO-UHFFFAOYSA-N 286.350 3.888 0 40 CHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)NC1CCCC1 13328252 KBDBTECHXBVNKX-LLVKDONJSA-N 276.355 3.619 0 40 CHAB c1csc([C@H]2NN=C3c4ccccc4CSC[C@@H]32)c1 4085345 IMAXBRYGRNQHGC-WFASDCNBSA-N 286.425 3.660 0 40 CHAB O=C(N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2 4262994 PUOVTWNUSGOYMF-UHFFFAOYSA-N 281.399 3.792 0 40 CHAB CC(C)CN(Cc1nnc(-c2ccccc2)o1)CC(C)C 5031877 KUDLZAKFQYXCGC-UHFFFAOYSA-N 287.407 3.851 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCC1CC1 27458924 IYMBYZBPLNVOTN-GQCTYLIASA-N 270.159 3.533 0 40 CHAB Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1-c1ccccc1 8580431 QJRVPZGAPYYFRW-UHFFFAOYSA-N 284.746 3.794 0 40 CHAB Nc1cccc(Cl)c1Oc1ccc(F)c(F)c1 14629309 AJMQBVCSOYZLTC-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB O=C(Nc1ccccc1F)N[C@H]1CCc2ccccc21 8941584 GBUKJTMEHWJYCL-AWEZNQCLSA-N 270.307 3.635 0 40 CHAB CC(C)c1nnc(CSc2nc3ccccc3o2)o1 72086427 HEAKBJVXQLGCHE-UHFFFAOYSA-N 275.333 3.627 0 40 CHAB CC[C@H]1CC[C@@H](C(=O)Nc2ccc(SC)c(Cl)c2)O1 84735456 LOZZKPFOIOPMNN-JQWIXIFHSA-N 299.823 3.958 0 40 CHAB CN(C(=O)c1cnc2ccsc2c1)c1ccccc1 77955119 RRSWQQOLTQBTPP-UHFFFAOYSA-N 268.341 3.573 0 40 CHAB Fc1ccc(CC(F)(F)F)cc1Br 66329375 RLLUHBAOHDDFML-UHFFFAOYSA-N 257.024 3.693 0 40 CHAB Nc1ccc2nc(-c3c(F)cccc3Cl)oc2c1 34940018 RCBYMTJJRIZIJW-UHFFFAOYSA-N 262.671 3.870 0 40 CHAB CCC(C)(C)NC(=O)c1csc2c1CC[C@@H](C)C2 36719043 SXVMTMVICCDBTM-SNVBAGLBSA-N 265.422 3.791 0 40 CHAB CC[C@@]1(C)C[C@@](CCN)(c2ccc(C)cc2)CCO1 171681 LSXKXJPDFZUXNV-IRXDYDNUSA-N 261.409 3.561 0 40 CHAB biogenic Cc1ccc(OCCCC(=O)NC(C(C)C)C(C)C)cc1 408702112 CGUQNXJRKVJRCU-UHFFFAOYSA-N 291.435 3.951 0 40 CHAB Cc1cc(C)c(C2=NOC[C@@]2(C)C(=O)C(C)C)c(C)c1 38337782 ZPPMDNJLPFHUQB-QGZVFWFLSA-N 273.376 3.578 0 40 CHAB Cc1occc1-c1nc(NC2CC2)ncc1-c1ccccn1 72397701 IYBCLQVSKPLUKB-UHFFFAOYSA-N 292.342 3.681 0 40 CHAB N[C@H]1C[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 70453080 GKVNCHFBXNLICC-QWRGUYRKSA-N 267.250 3.780 0 40 CHAB Cc1cc(C(=O)c2ccc(F)c(F)c2F)ccc1F 61838029 KKWPQMMQISEJRO-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB O=C(CCC(F)(F)F)N1CCc2c(Cl)cccc21 89800168 YLRGGHBQYDBZGF-UHFFFAOYSA-N 277.673 3.572 0 40 CHAB CCc1ccc(C[C@@H](Oc2cccc(C)c2)C(=O)O)cc1 225042263 CRRNGNZKOMUYHP-QGZVFWFLSA-N 284.355 3.632 0 40 CHAB Cc1ccccc1Nc1ccc(NC(=S)NC2CC2)cn1 224032412 VDPXSNDVEGSPSJ-UHFFFAOYSA-N 298.415 3.582 0 40 CHAB CCc1ccc(CC)c(CNC(=O)Cc2ccccc2)c1 225853203 QYGOZVFCDFNCDY-UHFFFAOYSA-N 281.399 3.670 0 40 CHAB CCOC(=O)c1ccc(Nc2cc(C)ccc2C)c(N)c1 41081237 NRVIKSHQOQHVRZ-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB CCCCCNC(=O)CCc1ccc(Cl)cc1 40995049 WZPCIEUKUDIFDO-UHFFFAOYSA-N 253.773 3.579 0 40 CHAB CCCNC(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223391740 MYSFXALWUSWUCF-ZDUSSCGKSA-N 292.423 3.897 0 40 CHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222567835 CKRIKJQXXKZMFY-GLQYFDAESA-N 299.399 3.572 0 40 CHAB Cc1cnc(CN2CCC[C@H](c3cc(F)ccc3F)C2)o1 191675719 GXJNGRAOTZTLJJ-LBPRGKRZSA-N 292.329 3.641 0 40 CHAB Fc1ccc(-c2cn3ccc(Cl)cc3n2)c(F)c1 98175317 HQIXIHZUPVHBFW-UHFFFAOYSA-N 264.662 3.933 0 40 CHAB CC(=O)c1cc2c(cc1C)N(C(C)=O)C(C)(C)C=C2C 253495782 QWLGNLFJJKLTGO-UHFFFAOYSA-N 271.360 3.746 0 40 CHAB CC(C)CN(C)c1cc(Br)ccc1F 95915616 VRFLKCKSVIXWRT-UHFFFAOYSA-N 260.150 3.680 0 40 CHAB Cc1ccc(NC(=O)c2cc(C)n(C)c2C)c(C)c1 298133730 FWGKDYHMCUDRQF-UHFFFAOYSA-N 256.349 3.511 0 40 CHAB Cc1ccc(N(C)C(=O)Nc2c(C)noc2C)cc1Cl 585141579 VVRQRENEDCOENR-UHFFFAOYSA-N 293.754 3.922 0 40 CHAB CCN(CC)c1cc(C(C)C)c2cccc(O)c2n1 685938477 ULLQYUVTOCGGHK-UHFFFAOYSA-N 258.365 3.910 0 40 CHAB CCOC(=O)c1cc(-c2c(Cl)cccc2Cl)on1 95949845 HBZZVFIBEFAPFG-UHFFFAOYSA-N 286.114 3.825 0 40 CHAB CCCCCNC[C@H](O)c1ccc(Cl)c(Cl)c1 1672300 JAZILVNOHQJZKN-ZDUSSCGKSA-N 276.207 3.807 0 40 CHAB COC(=O)/C(=C/c1ccncc1)c1cccc2ccccc12 13209187 LTYREOPTZCDYRN-QGOAFFKASA-N 289.334 3.948 0 40 CHAB O=C1O[C@H](c2ccc(Br)cc2)c2ccccc21 35327176 NOBDTJIRKOOPJW-CYBMUJFWSA-N 289.128 3.709 0 40 CHAB c1ccc2c(c1)nc(C1CC1)n2C1CN(CC2CCC2)C1 1776001227 GMOHGCWEYVOABE-UHFFFAOYSA-N 281.403 3.571 0 40 CHAB CC[C@@H](NC(=O)c1cccs1)c1ccc(OC)cc1 20042412 QBSUWNFTBJKWHL-CYBMUJFWSA-N 275.373 3.638 0 40 CHAB Cc1nc(NC(=O)c2ccc(F)cc2Cl)sc1C 20441825 NMSYHENGZCNDRF-UHFFFAOYSA-N 284.743 3.805 0 40 CHAB Cc1noc(C)c1CN1CCC[C@@H]1c1ccccc1 54993332 LFJHNAJSHNMNBM-MRXNPFEDSA-N 256.349 3.629 0 40 CHAB Cc1ccc(C)c(NC(=O)CSCc2ccco2)c1 4263049 PJOFCSJZUAZWPG-UHFFFAOYSA-N 275.373 3.768 0 40 CHAB O=C(O)[C@H](Sc1ncnc2ccccc12)c1ccccc1 155572 JAAJTNCVCJSTHK-CQSZACIVSA-N 296.351 3.548 0 40 CHAB CCCNc1nc(-c2ccc3c(c2)[C@@H](C)C(=O)N3)cs1 101088912 RBDQDCCAXDBKIC-SECBINFHSA-N 287.388 3.688 0 40 CHAB O=C(Nc1cccc(F)c1)c1cccc(-n2cccc2)c1 8704805 UXGZGNYHLFNONS-UHFFFAOYSA-N 280.302 3.869 0 40 CHAB O=C1OC(c2ccccc2)=N[C@@]12C[C@@H]2c1ccc(Cl)cc1 356615 ASJFWVSQCXWGOU-RHSMWYFYSA-N 297.741 3.570 0 40 CHAB CC(C)(C)NC(=O)/C=C/c1cccc(C(F)(F)F)c1 2648737 HIBAOJAUGVEAKB-BQYQJAHWSA-N 271.282 3.633 0 40 CHAB CCCSc1nnc(-c2ccc(Cl)cc2)n1C 57516673 VJWBPMGBZMMNFM-UHFFFAOYSA-N 267.785 3.638 0 40 CHAB Cc1ccc(Cl)cc1NCc1nc2n(n1)CCCCC2 28534861 LEEAIDLTUIWONB-UHFFFAOYSA-N 290.798 3.578 0 40 CHAB CN(Cc1ccc2ccccc2c1)C(=O)c1ccncc1 21926726 BBQAUUNWEJSKKT-UHFFFAOYSA-N 276.339 3.507 0 40 CHAB Cc1ccc2[nH]c3c(N4C[C@H](C)C[C@@H](C)C4)ncnc3c2c1 544655 KTSJYCAKNVROQP-CHWSQXEVSA-N 294.402 3.902 0 40 CHAB C[C@]12CC(=O)CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118925035 CFEYHVZVJOAJTE-BNFYIPGJSA-N 290.447 3.959 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101489389 GITAKVTZYVRZDB-SMKXDYDZSA-N 287.403 3.640 0 40 CHAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccs1 12516160 ZNQBJBGFDOSKHI-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB CCc1ccc(/C=C2\CCCC(C3=NCCN3)=C2O)cc1 62716113 HOARTDATTWEFLP-NTCAYCPXSA-N 282.387 3.630 0 40 CHAB C[C@@H]1CCCCN1CC(=O)Nc1ccc2ccccc2c1 3583647 PPDZGUSTWMPKCN-CQSZACIVSA-N 282.387 3.653 0 40 CHAB CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1c(C)noc1C 90886176 JJGIQAJUBPSIPV-GXFFZTMASA-N 262.353 3.995 0 40 CHAB O=C(Cc1cccc(Br)c1)Nc1ccccc1 111771319 RGZNHBFVABOYAQ-UHFFFAOYSA-N 290.160 3.630 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC=CCC1 7969569 SOKBAXNPAWOZFI-VIFPVBQESA-N 253.704 3.774 0 40 CHAB O=C(Nc1ccccc1Cl)c1ccc(Cl)o1 14018837 JTBIPENHYKMOLB-UHFFFAOYSA-N 256.088 3.839 0 40 CHAB COc1ccc2cc(C(=O)N(C)C3CCCCC3)[nH]c2c1 5301912 JJHJQVPCRNWONG-UHFFFAOYSA-N 286.375 3.581 0 40 CHAB Cc1ccc(NC(=O)CNC2CCCCCCC2)cc1C 6508868 ILGWUEJHZHUDLW-UHFFFAOYSA-N 288.435 3.944 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)NC1CCC(C)CC1 6790136 GNIDOVYZRAJMHI-UHFFFAOYSA-N 298.386 3.959 0 40 CHAB O=C(CSc1ccccn1)c1c[nH]c2ccccc12 6820653 FGOJPQCSAJGPHT-UHFFFAOYSA-N 268.341 3.538 0 40 CHAB CC(C)(C)CC(C)(C)NCc1nnc(C(C)(C)C)o1 69529507 NMQZDAOLHFCZJK-UHFFFAOYSA-N 267.417 3.672 0 40 CHAB CC[C@H](COC)N[C@@H](C)c1ccc(Br)s1 70657884 QRMYKNDQERPTPB-DTWKUNHWSA-N 292.242 3.586 0 40 CHAB Cc1c(C)n(CC(C)C)c2ncn3nc(C(C)(C)C)nc3c12 9484754 KPXQRMWNVHKYFZ-UHFFFAOYSA-N 299.422 3.649 0 40 CHAB CC[C@H](C)OCc1nn(C2CCCC2)cc1Cl 408715617 XIPDJLNQSNNLKT-JTQLQIEISA-N 256.777 3.967 0 40 CHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccncc2)o1 75543960 ACVCVDNCUOGIIP-IUODEOHRSA-N 299.374 3.988 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccnc1 95963595 RIFOXOPCVNLOFY-CYBMUJFWSA-N 290.750 3.531 0 40 CHAB C[C@@H](CC(=O)Nc1ccccc1)NC[C@H](C)c1ccccc1 78739020 SEIJXLZAUXTPIB-HOTGVXAUSA-N 296.414 3.797 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)CCc1ccc(F)cc1 37111764 LPAJCNAMZHAPOW-AWEZNQCLSA-N 285.362 3.944 0 40 CHAB Cc1ccc2[nH]c([C@H]3CCN(Cc4ccccc4)C3)nc2c1 35446543 JZROFTRSWFZTLB-INIZCTEOSA-N 291.398 3.861 0 40 CHAB biogenic,in-vitro COC(=O)c1c(/C=C/COc2ccccc2)cccc1OC 35973658 UOGFHXZTBUQLOC-VQHVLOKHSA-N 298.338 3.574 0 40 CHAB CCOC(=O)C1=C(C)CC(=O)C[C@@H]1c1ccc(Cl)cc1 35243448 ICEJZYAGXISFCP-CQSZACIVSA-N 292.762 3.666 0 40 CHAB Oc1ccc(OCc2ccc(Br)cc2)cc1 36896690 WNKLXCIAQUVCHA-UHFFFAOYSA-N 279.133 3.734 0 40 CHAB Cc1nc(NC(C)(C)C)ccc1[C@@H](O)c1ccccc1 72225017 DFBQHKQEZPNTBC-INIZCTEOSA-N 270.376 3.682 0 40 CHAB Cc1ccc2nc(NCc3ccccn3)sc2c1 62716562 JFVWWNPAZRHCAE-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB CCCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223086066 AAPNBXKBAWAFOG-QGZVFWFLSA-N 289.419 3.639 0 40 CHAB CCCc1ccc(CNCc2ccccc2)n1CC 226020972 RGKPRYLEYWYFIM-UHFFFAOYSA-N 256.393 3.750 0 40 CHAB CCCc1ccc(OCCNC(=O)c2ccccc2C)cc1 223369080 ZXUYJVUXKDITGY-UHFFFAOYSA-N 297.398 3.756 0 40 CHAB CCC(CC)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223994967 FGNDUUIHHSZFAN-ZDUSSCGKSA-N 289.419 3.638 0 40 CHAB O=C(Cc1ccc(Cl)cc1F)NC1CCCCCC1 224771800 PGTQULWDDCKQNH-UHFFFAOYSA-N 283.774 3.861 0 40 CHAB CC1CC(COc2ccc(Br)cc2)C1 85390940 FNYQDLBULMKCPL-UHFFFAOYSA-N 255.155 3.874 0 40 CHAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccco1 225368524 FOABBZDINGDYFI-UHFFFAOYSA-N 298.169 3.835 0 40 CHAB C[C@@H](C(=O)Nc1ccc(F)cc1F)c1ccccc1 96318516 GKNYKPSVHKPNRE-SNVBAGLBSA-N 261.271 3.707 0 40 CHAB O=[S@](Cc1ccccc1Cl)c1cccs1 96482601 FEAQKJWHSYCJFL-HNNXBMFYSA-N 256.779 3.709 0 40 CHAB COc1ccc([C@@H]2COc3cc(C)ccc3N2)cc1 96531326 FKZVBLJFZDNZOI-HNNXBMFYSA-N 255.317 3.549 0 40 CHAB Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)N 40994047 DKIXVPMMJGAICQ-SSDOTTSWSA-N 297.221 3.901 0 40 CHAB in-vitro Cc1ccc2nc([C@@H]3CCC(F)(F)C3)nc(O)c2c1 253535183 VYILYXFHWILJSY-SECBINFHSA-N 264.275 3.547 0 40 CHAB CCN(CC)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 46869932 ZSGCELXVWONVGY-SNVBAGLBSA-N 271.813 3.689 0 40 CHAB Cc1cccc(OCC(=O)N(C)[C@@H](C)c2cccs2)c1 53312994 UXFCKGJKIZWTSZ-ZDUSSCGKSA-N 289.400 3.655 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nnsc2Cl)o1 53426514 SBMVWOYKJXBCSA-WPRPVWTQSA-N 297.811 3.540 0 40 CHAB O=C(O)c1csc2c(C(F)(F)F)cc(Cl)nc12 2568769 YFIHRSIOWDECJO-UHFFFAOYSA-N 281.642 3.667 0 40 CHAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1O 19900693 JUXLCDDPEQFWTJ-UHFFFAOYSA-N 277.751 3.975 0 40 CHAB O[C@@H](CNCc1ccc2ccccc2c1)c1ccccc1 35111697 DVNIZVFLKYHUBG-IBGZPJMESA-N 277.367 3.663 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2cc3cc(F)ccc3[nH]2)o1 40058950 MFMHPEFEPSQNBU-SNVBAGLBSA-N 286.306 3.699 0 40 CHAB c1ccc(CSc2nc3cccnc3s2)cc1 20032196 MAUYGWGGXTWOOR-UHFFFAOYSA-N 258.371 3.984 0 40 CHAB CC(=O)c1cc(-c2c(Cl)cccc2Cl)no1 128109 JPFRJBIHUZVDFO-UHFFFAOYSA-N 256.088 3.851 0 40 CHAB CC(C)(C)NC(=O)CCSc1ccc(Cl)cc1 379971 AZOYDTMVZYUQOE-UHFFFAOYSA-N 271.813 3.737 0 40 CHAB Cc1ccc(C)c(/C=C/c2nc3ccccc3c(=O)[nH]2)c1 8410363 YBZICWBAHJOFND-MDZDMXLPSA-N 276.339 3.710 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)c(C)c1 364966 KYNHHBLKZBJYHD-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB CCCOc1ccc(CNC(=O)c2ccc(F)cc2)cc1 46179810 HQNVBNMQGCILRF-UHFFFAOYSA-N 287.334 3.545 0 40 CHAB Cc1ccc(C)c(C(=O)NCCc2ccc(Cl)cc2)c1 8085017 HEOMOFBBQMEPBX-UHFFFAOYSA-N 287.790 3.929 0 40 CHAB Clc1ccc(-n2ncc3c(Cl)ncnc32)cc1Cl 8764102 TZCBFRPQMJVQDD-UHFFFAOYSA-N 299.548 3.776 0 40 CHAB Cc1ccc(NC(=O)c2cc(C)nc3cc(F)ccc23)nc1 32826553 LOTFDTNBZKBPQY-UHFFFAOYSA-N 295.317 3.638 0 40 CHAB Cc1ccc(-n2nc(C)c(NC(=O)CC(C)C)c2C)cc1 57541843 LZJZLWTWUJRGDT-UHFFFAOYSA-N 285.391 3.782 0 40 CHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccn1 32902565 IUXCTGZSXLNJOS-BQYQJAHWSA-N 292.260 3.752 0 40 CHAB Cc1ccc2oc(=O)c(/C=C(\O)c3ccccc3)nc2c1 101859663 YJCWVVMSKZPPEW-GDNBJRDFSA-N 279.295 3.553 0 40 CHAB CC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 555944 NVAGHRPZQZSVEX-UHFFFAOYSA-N 285.734 3.842 0 40 CHAB O=C1CCCC(c2ccccc2)=N/N=C/1c1ccccc1 104265018 XJRSREDVZTWBEL-YMWZNUIGSA-N 276.339 3.633 0 40 CHAB O=C(O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100142532 APWLCUAAISKVPI-QJRTVWDNSA-N 256.345 3.609 0 40 CHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCCc2ccccc21 22956026 WDSSWTBNASPKSC-LBPRGKRZSA-N 285.391 3.881 0 40 CHAB Cc1csc(-n2c(C)cc(-c3csc(N)n3)c2C)n1 12543145 RGILXKUABNNWKM-UHFFFAOYSA-N 290.417 3.565 0 40 CHAB C[C@H](NC(=O)c1cc2ccccc2[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 105875851 KJAIHCHTYYYKCX-ABHRYQDASA-N 282.387 3.722 0 40 CHAB O=C(O)C/C(=C/c1cccc(O)c1)c1nc2ccccc2o1 24828368 BZVVTUOIVIAKBW-WQLSENKSSA-N 295.294 3.549 0 40 CHAB Clc1ccc(-n2nc(Cl)nc2-c2ccco2)cc1 22125769 ABFOVYHCTGZRPU-UHFFFAOYSA-N 280.114 3.834 0 40 CHAB O=C(CCc1ccc(F)cc1)NC1CCCCCC1 60879508 VTTRTRKGKGVZHX-UHFFFAOYSA-N 263.356 3.597 0 40 CHAB S=c1[nH]nc2scc(-c3ccc(Cl)cc3)n12 35576534 QSDOIJACNQRZKE-UHFFFAOYSA-N 267.766 3.774 0 40 CHAB CC(=O)c1c(Nc2cc(C)ccc2C)oc(C)cc1=O 27525506 YVJNCVCCOCHWPK-UHFFFAOYSA-N 271.316 3.511 0 40 CHAB Cc1cc(CN(Cc2ccco2)C2CCCC2)on1 44975956 MDFRAHPVIANTFL-UHFFFAOYSA-N 260.337 3.521 0 40 CHAB Cc1noc([C@@H](C)Sc2ccc(F)c(F)c2)n1 69326862 BLMCLJSXZBSIEV-ZCFIWIBFSA-N 256.277 3.510 0 40 CHAB O=C1CCCN1c1ccc(-c2csc(C3CC3)n2)cc1 28334700 NJDNMYJTENVQOL-UHFFFAOYSA-N 284.384 3.814 0 40 CHAB Cc1ccccc1-n1c(S)nnc1-c1sccc1C 17022014 NCYLQWZUZHHZOA-UHFFFAOYSA-N 287.413 3.901 0 40 CHAB O=C(Cc1cccs1)Nc1ccccc1OC(F)F 6329624 GCBMKHVKNQCFIL-UHFFFAOYSA-N 283.299 3.531 0 40 CHAB COc1ccc(CCNC(=O)C[C@@H](C)c2ccccc2)cc1 6375553 WLSHWPLSDIVOBR-OAHLLOKOSA-N 297.398 3.548 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3nc(C)cn3c2)C1(C)C 65518282 ALDVBXYHIHRBQN-ZBFHGGJFSA-N 297.402 3.820 0 40 CHAB CC1CCN(c2nc3ccccc3nc2Cl)CC1 5416767 VQJCHQNTOMYLCL-UHFFFAOYSA-N 261.756 3.520 0 40 CHAB CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(OC)cc1 21836342 JJBDDQUJWHUNRN-MRXNPFEDSA-N 299.370 3.585 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1ccc(F)c(F)c1 22561234 WMDKCKNMOPIRJG-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB CCCN[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 5937251 MBSGOSNNUZUOFI-GOSISDBHSA-N 296.414 3.983 0 40 CHAB Cc1nc2cc(C(=O)N(C)c3ccccc3)ccc2s1 408978197 LDXUFLYCEGKORG-UHFFFAOYSA-N 282.368 3.881 0 40 CHAB O=C(/C=C/c1cccs1)Nc1cccc2cnccc12 7655328 QUGWGYKNBUADDD-VOTSOKGWSA-N 280.352 3.948 0 40 CHAB O=C1N[C@@H](c2cccc(Cl)c2Cl)Nc2ccccc21 9339366 NFMZAWMVLLTERZ-ZDUSSCGKSA-N 293.153 3.848 0 40 CHAB COC[C@@](C)(NCc1ccc(Cl)o1)c1ccccc1 95943553 AUFNDSXWFISFSU-OAHLLOKOSA-N 279.767 3.584 0 40 CHAB COc1ccc(C)cc1N[C@@H](C)c1nc(-c2ccco2)no1 27058874 ULHYVUQEQYFRNQ-NSHDSACASA-N 299.330 3.820 0 40 CHAB CCCCNC(=O)c1ccc(COc2ccccc2C)o1 32610782 UNVVSFGYTLEHBB-UHFFFAOYSA-N 287.359 3.697 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@]12CCNc1ccccc12 521396028 IACRXKJFUFVPEJ-QGZVFWFLSA-N 288.391 3.728 0 40 CHAB O=Cc1c(-c2ccc(Br)cc2)noc1Cl 71976722 OOSVNKLLBASRBC-UHFFFAOYSA-N 286.512 3.570 0 40 CHAB CC(C)(Nc1ccccc1O)c1nc2ccccc2o1 34333243 JFURPXCJRAWEBR-UHFFFAOYSA-N 268.316 3.881 0 40 CHAB Cc1cc(CNC(=O)Nc2ccccc2Cl)c(C)o1 70640532 ZKRZZZYTVXNAKB-UHFFFAOYSA-N 278.739 3.872 0 40 CHAB CC[C@H](C)NC(=O)/C=C\c1ccc(Cl)c(Cl)c1 31425119 WMHSFCNWWYFBSS-PGBBXKAQSA-N 272.175 3.921 0 40 CHAB O=C(Cc1cccc(F)c1)NC[C@@H]1CCCc2ccccc21 30894500 YFBOHQCDIZQCOM-INIZCTEOSA-N 297.373 3.605 0 40 CHAB CC(C)(C)C[C@H](O)c1ccc(Br)cc1 40243309 VMEIUKZONFDIJY-NSHDSACASA-N 257.171 3.919 0 40 CHAB COc1ccc(S[C@H](C)C(=O)N2CCCCCC2)cc1 44840383 OHCZKQAGGADULS-CYBMUJFWSA-N 293.432 3.578 0 40 CHAB CC[C@H](C)n1c(CCCCCN)nc2ccccc21 40163852 OJZMURRQUJAIHH-ZDUSSCGKSA-N 259.397 3.679 0 40 CHAB Cc1ccc(N(C)C(=O)c2ccc(F)cc2)cc1C 222946805 JIOUWILNRQDLSR-UHFFFAOYSA-N 257.308 3.719 0 40 CHAB CCCCn1c(C)c(CNCC)c2cc(OC)ccc21 223762022 ZIENXWGPDYWNFV-UHFFFAOYSA-N 274.408 3.868 0 40 CHAB CCOc1ccc(CNC(=O)c2cc(C)ccc2C)cc1 223627690 NKRNSWXDORNLKB-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB Cc1ccc(-c2cc(N)n(Cc3ccccc3)n2)c(C)c1 199749996 HRFNCYCRBSAMON-UHFFFAOYSA-N 277.371 3.797 0 40 CHAB Cc1cnc2c(C(F)(F)F)ccc(C(F)(F)F)c2n1 96029317 IFNSUWDWASXAKC-UHFFFAOYSA-N 280.171 3.976 0 40 CHAB Cc1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 96077912 UJBCMDVTNHKQTA-IBGZPJMESA-N 274.367 3.978 0 40 CHAB CCCCCCNCc1cn(C2CCCC2)nc1C 256051621 JXJFKGKUPBFANO-UHFFFAOYSA-N 263.429 3.977 0 40 CHAB CC[C@H](Cl)C(=O)c1ccc(C(F)(F)F)cc1 394699483 WYJROZAFINQQDB-VIFPVBQESA-N 250.647 3.906 0 40 CHAB Oc1cccc(NCCCC(F)(F)C(F)(F)F)c1 1083811781 OPOZMUSUDVNIDF-UHFFFAOYSA-N 269.213 3.782 0 40 CHAB Cc1cc(Cl)nc(COc2cccc(C)c2C)n1 58043441 OYRADLTXBFZXJJ-UHFFFAOYSA-N 262.740 3.634 0 40 CHAB CC(C)C[C@H](N)C1(c2ccc(F)cc2F)CCC1 1772714997 XRTDGRVFTGKMBN-AWEZNQCLSA-N 253.336 3.760 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccc(F)cc2F)cc1 13787461 CYHMVMRBZPHUBE-UHFFFAOYSA-N 292.354 3.760 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 15331011 PRZFFQKVQKEQET-CQSZACIVSA-N 299.370 3.718 0 40 CHAB Cc1ccc(OCCNC(=O)Nc2ccccc2)c(C)c1 18174793 PYEFVYQNVBGSIK-UHFFFAOYSA-N 284.359 3.504 0 40 CHAB CN(C)N1CCC2(CCC(C(C)(C)C)CC2)CC1 19167345 LYWDFTNVZGIIRI-UHFFFAOYSA-N 252.446 3.782 0 40 CHAB Cn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 19290327 OGMLNMBPGLXNHN-UHFFFAOYSA-N 288.709 3.597 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2ccc(N)cc2C)cc1 20345348 BFOKJQLWCVBGCQ-JXMROGBWSA-N 266.344 3.538 0 40 CHAB CCSc1cccc(C(=O)Nc2nccs2)c1 4585783 XJFHPPDPYQBONG-UHFFFAOYSA-N 264.375 3.507 0 40 CHAB Cc1cccnc1NC(=O)Nc1c[nH]c2ccccc12 5265516 AKSVOEUCOYTNIM-UHFFFAOYSA-N 266.304 3.515 0 40 CHAB COc1c(C)c(C)c2[nH]c3ccccc3c2c1OC 6068755 CABZEVNLYSXBGW-UHFFFAOYSA-N 255.317 3.955 0 40 CHAB biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)NCc1ccsc1 38586753 BIHBMTKOWOHBPO-UHFFFAOYSA-N 296.779 3.732 0 40 CHAB Cc1ccc(C(=O)c2nocc2C(=O)c2cccs2)cc1 129195 QWSPUABOZDJGKO-UHFFFAOYSA-N 297.335 3.507 0 40 CHAB COc1c(C)c(Br)c(OC)c2ccccc12 1601650 PWXIIJPKDYZUBN-UHFFFAOYSA-N 281.149 3.928 0 40 CHAB in-vitro Cc1ccc(NC(=O)CNc2cccc(C)c2C)c(C)c1 3376878 MIUTURATZMRQLU-UHFFFAOYSA-N 282.387 3.971 0 40 CHAB Cc1cccc(C(=O)O[C@@H](C)CN2[C@@H](C)CCC[C@H]2C)c1 210634 CDLAWMHMQXCIAA-XHSDSOJGSA-N 289.419 3.803 0 40 CHAB Nc1scc2nc(-c3ccccc3)[nH]c(=S)c12 6530209 XLEMAOIYZDBBAH-UHFFFAOYSA-N 259.359 3.603 0 40 CHAB Clc1ccc([C@@H]2C=C(c3ccco3)Nc3ncnn32)cc1 100835157 ZYJWKLNGDBIEEX-ZDUSSCGKSA-N 298.733 3.581 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)C[C@H]1C=CCC1 32781428 KYBDNXDWLBMJJA-NEPJUHHUSA-N 261.390 3.550 0 40 CHAB CCCC(=O)Nc1cc(N2CCCCC2)c(N)cc1Cl 57326722 KTRZXSKJOXERNK-UHFFFAOYSA-N 295.814 3.651 0 40 CHAB O=C(O)C1(Cc2ccccc2Cl)CCCCC1 41322722 LLYVJAGIPAWPER-UHFFFAOYSA-N 252.741 3.918 0 40 CHAB CCc1cccc(C)c1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102880071 IIFQVCIAENTDRG-QEJZJMRPSA-N 255.361 3.708 0 40 CHAB COc1cccc([C@H](O)c2cccc3ccccc23)c1 54438611 PWBQCBZBWIGGLO-SFHVURJKSA-N 264.324 3.930 0 40 CHAB Cc1ccccc1-c1noc(-c2ccnc(Cl)c2)n1 22120419 COYIBJRBVSHPNO-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB CC(C)(C)C[C@H]1CCCN1Cc1nc(-c2ccco2)no1 57863231 UEEZBEGNFXFPSM-GFCCVEGCSA-N 289.379 3.730 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 12765961 BYVFVGKOOHCHIC-LLVKDONJSA-N 275.298 3.764 0 40 CHAB C[C@H](c1cccs1)N(C)c1ncnc2sccc12 12987870 SIZLQNFGMPMOEF-SECBINFHSA-N 275.402 3.950 0 40 CHAB CCN(Cc1cccc(F)c1)Cc1cccc(F)c1 61799833 RUFUOOQAEJFOCC-UHFFFAOYSA-N 261.315 3.987 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1C 3581427 SOAUYRUWQOGMTJ-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCCCC1 408681011 VPKVPOLSOQJMNH-OAHLLOKOSA-N 295.810 3.900 0 40 CHAB OCc1ccnc(-c2ccc(Cl)c(Cl)c2)c1 65383368 QTQVYVVFORFBPE-UHFFFAOYSA-N 254.116 3.548 0 40 CHAB Cc1ccccc1-c1cc(O)c(C)c(=O)n1-c1ccccc1 6664945 YGQMCJZEICOBBH-UHFFFAOYSA-N 291.350 3.827 0 40 CHAB CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1C 6776134 BJMQWLNBNZVBPG-UHFFFAOYSA-N 266.300 3.762 0 40 CHAB Cc1sc2[nH]c(=S)[nH]c(=O)c2c1-c1ccccc1 4801765 GQCOGOVWFAPENF-UHFFFAOYSA-N 274.370 3.623 0 40 CHAB Cc1c(NC(=O)N2CCC[C@H](C)C2)cccc1OC(F)F 69776509 WRBAVGNRYXEQFE-JTQLQIEISA-N 298.333 3.860 0 40 CHAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(C)cc1C 5939417 QYHGRBMAMAHBBO-CQSZACIVSA-N 298.386 3.751 0 40 CHAB c1nc(Nc2ccc3c(c2)OCCCO3)c2sccc2n1 8726570 YMDSHXBEUVUVNR-UHFFFAOYSA-N 299.355 3.596 0 40 CHAB Cc1cc(/C=C/C(=O)NC2CCCCC2)c(C)n1C1CC1 7127260 MNUMRZZPMJJFMB-DHZHZOJOSA-N 286.419 3.902 0 40 CHAB Cc1ccc(C)c(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 7599167 CUXASPDSLAUVDT-YIONKMFJSA-N 285.387 3.637 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)Nc1ccccc1F 15934243 FKFSBPSKNWSTQS-UHFFFAOYSA-N 270.307 3.958 0 40 CHAB O=C(NCc1ccccn1)Nc1cc(Cl)ccc1Cl 15934297 HPFATGHDONSJIY-UHFFFAOYSA-N 296.157 3.710 0 40 CHAB CCc1nc(NC(=O)c2ccc3ccn(C)c3c2)sc1C 71288339 FTRWKSHSKUFTJJ-UHFFFAOYSA-N 299.399 3.758 0 40 CHAB CCC[C@H](N[C@@H](C)CC(C)C)C(=O)OC(C)(C)C 95943399 MAQRMAIOFOFNPX-STQMWFEESA-N 257.418 3.521 0 40 CHAB C[C@H]1CCC[C@@H](C)N1CCN1[C@@H](C)CCC[C@H]1C 114718899 RVIVTMWGPRUAIG-GEEKYZPCSA-N 252.446 3.512 0 40 CHAB O[C@@]1(C(F)(F)F)ON=C2/C(=C\c3ccccc3)CCC[C@H]21 36533597 RHOOTQAOZKPADG-SRHJZDPESA-N 297.276 3.507 0 40 CHAB O=C(O)CC1(c2ccccc2C(F)(F)F)CCC1 1536146615 LBUNFKHNSMVMPT-UHFFFAOYSA-N 258.239 3.602 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccccc3o2)c(N)c1 37064558 BCPGZTUJEYVNGL-UHFFFAOYSA-N 266.300 3.576 0 40 CHAB Cc1nc(C(C)C)ncc1-c1nnc(-c2ccccc2F)o1 216606103 YQCPVHPIEYZNES-UHFFFAOYSA-N 298.321 3.765 0 40 CHAB CC(=O)N1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 72214192 RQHUCBSWIVXOJZ-KRWDZBQOSA-N 295.386 3.533 0 40 CHAB Cc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72211272 MVUWMNUUVCCXMY-KRWDZBQOSA-N 280.371 3.757 0 40 CHAB CCNC(=O)Nc1ccc(Oc2ccccc2)cc1 43466918 FIXDBKFKYZOPCJ-UHFFFAOYSA-N 256.305 3.620 0 40 CHAB NCCc1ccc(-c2ccc(Cl)cc2Cl)o1 44397629 QQOJIXHNYVSDOR-UHFFFAOYSA-N 256.132 3.755 0 40 CHAB Cc1c(C)c(C)c(C(=O)C[C@@H](C)CC(=O)O)c(C)c1C 43214270 UQVOINUANQWQRP-SECBINFHSA-N 276.376 3.912 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(Cl)c(C)c1 43214465 HIBWDOGABNLCKK-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1cncc2ccccc12 89626076 XYWOJIRBYMBSKX-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB Cc1ccc(-c2nc(-c3ccc(C)c(N)c3)no2)cc1 225174569 ADEQRJQFQLKTIR-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CC(C)Oc1ccc(CCCNC(=O)C2CCCC2)cc1 222920510 VVPKLJZAILAGAU-UHFFFAOYSA-N 289.419 3.713 0 40 CHAB CC(C)(C)CN(C(=O)c1ccc(F)cc1)c1ccncc1 49026644 XDVAKKJUOJZNDN-UHFFFAOYSA-N 286.350 3.914 0 40 CHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)[C@H]1CC=CCC1 575415592 FDJYYFCEVYDJSV-KGLIPLIRSA-N 283.371 3.836 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCc3ccccc32)c1 13710912 NRCMSFVWXOKMPR-OAHLLOKOSA-N 295.382 3.660 0 40 CHAB C[C@@H](NC(=O)Nc1ccccc1Cl)c1cccnc1 13744346 XUNWDFZBGJEOJV-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB CCc1ccc(NC(=S)NCCC(C)C)cc1 13821138 ZTTJETPUEIQHTB-UHFFFAOYSA-N 250.411 3.582 0 40 CHAB CCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 14235068 VBWJMSCURWMKOH-UHFFFAOYSA-N 292.766 3.915 0 40 CHAB C[C@]1(O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@H](CO)C3 14615080 LZAZGDZVFQSCFO-BRMCIRSCSA-N 292.463 3.753 0 40 CHAB biogenic,in-vitro CCOCCCNCc1ccc(OCc2ccccc2)cc1 6354815 JHZBPWNDEQAWLJ-UHFFFAOYSA-N 299.414 3.782 0 40 CHAB CCOC(=O)c1ccc(C(=O)CCC2CCCC2)o1 575361763 FULSBEAFBJJQRQ-UHFFFAOYSA-N 264.321 3.609 0 40 CHAB CCOC(=O)CCCC(=O)c1cccc(C(C)C)c1 575358244 DEIHJLADWQMUJI-UHFFFAOYSA-N 262.349 3.726 0 40 CHAB O=C(NCc1ccc(-c2ccsc2)o1)[C@H]1CC=CCC1 575609796 HDNPYJWSYNVLIF-LBPRGKRZSA-N 287.384 3.981 0 40 CHAB C[C@H]1CCC[C@H](C)N1CCCOc1ccccc1C=O 217790975 OVHLIKDHAZFMQB-GJZGRUSLSA-N 275.392 3.531 0 40 CHAB Cc1ccccc1C(=O)c1cccc(CN2CCCC2)c1 2515046 LORWFFGGNYWDIR-UHFFFAOYSA-N 279.383 3.822 0 40 CHAB Brc1cccc([C@@H]2CCCCCN2)c1 3735037 QRRVYALKJRJDET-LBPRGKRZSA-N 254.171 3.654 0 40 CHAB COc1ccc(NC(=O)Nc2ccccc2C)c(C)c1 51354576 XFDMSLLPHGNJJW-UHFFFAOYSA-N 270.332 3.956 0 40 CHAB COc1ccc(NC(=S)Nc2ccc(F)cc2C)cc1 6963908 JEAREMHAALFHKB-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB O=C(CCc1ccccc1)Nc1ccc(N2CCCC2)cc1 7951188 YBLKQTDOEFYWMD-UHFFFAOYSA-N 294.398 3.858 0 40 CHAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCCCC1 7951193 FYTZXBALQOBDRC-UHFFFAOYSA-N 272.392 3.806 0 40 CHAB CC(=O)c1nc2ccc(Cl)cc2n1Cc1ccccc1 53944120 QEWSPQRBZBJOGL-UHFFFAOYSA-N 284.746 3.941 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)c1c2c(C(=O)O)nn1-c1ccccc1 100306076 TWKWHPUPCOCRHI-SGTLLEGYSA-N 296.370 3.745 0 40 CHAB Cc1ccc(N2NC3(CCCCCC3)NC2=S)cc1C 2801894 HRSMQAYBJBXTTN-UHFFFAOYSA-N 289.448 3.553 0 40 CHAB O=c1cc(-c2nc3ccccc3s2)c2ccccc2[nH]1 12504665 QPYXWJOXXPNKPX-UHFFFAOYSA-N 278.336 3.805 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 105667313 RDPYUJVATKZBIE-LAVFITLUSA-N 285.431 3.950 0 40 CHAB Cc1noc2ncnc(Sc3ccc(Cl)cc3)c12 1389832 DXUNEPBOEAAJJD-UHFFFAOYSA-N 277.736 3.731 0 40 CHAB c1ccc2[nH]c(CCCn3cnc4ccccc43)nc2c1 57326615 RXEISLBAEJKGMP-UHFFFAOYSA-N 276.343 3.545 0 40 CHAB CC(C)[C@H](NCC(N)=O)c1ccc(C2CCCCC2)cc1 57364670 VFTLAMUROCIDIA-SFHVURJKSA-N 288.435 3.506 0 40 CHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccccc1 3131348 ZBCLYMFHPMQQSS-GFCCVEGCSA-N 269.319 3.807 0 40 CHAB CCc1ccccc1NC(=O)N[C@@H](C)c1cccnc1 13744330 LTAFKGNKUAXQOY-LBPRGKRZSA-N 269.348 3.527 0 40 CHAB O[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 49933661 HIJNQMKSFNQSBG-SNVBAGLBSA-N 281.808 3.511 0 40 CHAB Cc1ccc(NC(=O)Cc2cccc(F)c2)c(C)c1 7610082 QMTIZTJHULIIGU-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB Clc1nc(Cl)n(C23CC4CC(CC(C4)C2)C3)n1 9142786 AGCFCYUGWQOWFT-UHFFFAOYSA-N 272.179 3.510 0 40 CHAB COc1cccc(CC(=O)N(CC(C)C)CC(C)(C)C)c1 79110912 QIUIDZARXLQWCT-UHFFFAOYSA-N 291.435 3.768 0 40 CHAB CSCCC(=O)c1ccc(Br)c(F)c1 69984268 CHTOSFMFPMBNIP-UHFFFAOYSA-N 277.158 3.524 0 40 CHAB c1ccc(Nc2ncccc2[C@H]2CCCCN2)cc1 72214151 FTBBXBTXDNOLIR-OAHLLOKOSA-N 253.349 3.640 0 40 CHAB Cc1ccccc1CNC(=O)c1cc(F)ccc1Cl 72331806 HLIZVMHZDFYFFV-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB CCc1nc2cc(Br)ccc2n1C(C)C 218609168 MQIYMLQHNXOKTQ-UHFFFAOYSA-N 267.170 3.942 0 40 CHAB C[C@H]1CCC[C@H](N2CCN(C[C@@H]3CC=CCC3)CC2)C1 224087230 PRIBEPJSCZVEBS-KSZLIROESA-N 276.468 3.539 0 40 CHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C)c1 225700159 WEKSELPAOIVURA-QGZVFWFLSA-N 293.407 3.928 0 40 CHAB O[C@H](c1ccc(F)c(F)c1)c1ccccc1Br 40254581 VEMAOSYTXWVIHO-CYBMUJFWSA-N 299.114 3.809 0 40 CHAB Cc1ccc(C)c(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)c1 225029080 BAJIRMGZTLNLGW-GOSISDBHSA-N 298.382 3.995 0 40 CHAB COc1c(C)cc(NC(=O)C2(OC)CCCCC2)cc1C 225629457 UJVPOMBVPZKNTQ-UHFFFAOYSA-N 291.391 3.600 0 40 CHAB CC[C@@H](N[C@@H](C)c1ccc(C)s1)c1cnn(C)c1 195540557 BUAUKORTRXMEAI-WCQYABFASA-N 263.410 3.592 0 40 CHAB Fc1c(Br)cccc1OC(F)(F)Cl 95215573 UWWWJKUMJRMDEW-UHFFFAOYSA-N 275.451 3.756 0 40 CHAB CC1CCN(Cc2cc(F)cc(Br)c2)CC1 93994391 UHLVOOYNIDKNOU-UHFFFAOYSA-N 286.188 3.820 0 40 CHAB Cc1cnc([C@@H]2CCCN(C(=O)c3cccs3)C2)s1 257296807 REMIEOBFQHLHJP-LLVKDONJSA-N 292.429 3.533 0 40 CHAB O=C(O)C1(c2cccc3c(Br)cccc23)CC1 260080761 WELVWTOVSIRMEJ-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB O=C(Nc1ccccn1)N1CCC[C@H]1CCc1ccccc1 67538927 DJXMINSJWKDCDB-INIZCTEOSA-N 295.386 3.711 0 40 CHAB CC[n+]1c(/C=C(\C)SC)sc2ccccc21 294965 OYTDDSBUXRFUKL-MDZDMXLPSA-N 250.412 3.933 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccccc1Cl 13821419 XZOJJSFXFSLDOO-SECBINFHSA-N 256.802 3.815 0 40 CHAB Cc1cc(C)nc(NC(=S)N[C@@H](C)c2ccccc2)c1 13837845 IZGVLZIOMNTUSP-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB Cc1ccc(NC(=O)CCc2ccc(F)cc2)cc1 18114286 YWICACMMLOCZJW-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2cn(C)c3ccccc23)C1 12355848 BSJVRBBCSGAOQB-BETUJISGSA-N 285.391 3.688 0 40 CHAB C[C@H](OC(=O)C1CCCCC1)C(=O)c1c[nH]c2ccccc12 6376735 YHVGCYZCHQAZCQ-LBPRGKRZSA-N 299.370 3.863 0 40 CHAB O[C@@H](c1cccc(OCc2ccccc2)c1)c1ccccn1 12875200 RYRJYARHWZNVPK-IBGZPJMESA-N 291.350 3.742 0 40 CHAB COc1cccc(OC)c1C(=O)c1cc(C)ccc1C 37353597 ZVXKMNMSHJAEBN-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB COc1cc(OC)c(-c2ccccn2)cc1-c1ccccn1 1857794926 WTBOHTRQOVGESQ-UHFFFAOYSA-N 292.338 3.828 0 40 CHAB Cc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1 28469642 OKIZSULNQWRNTC-UHFFFAOYSA-N 277.270 3.849 0 40 CHAB Cc1cc2oc(=O)cc(C)c2c2c1CCC(C)(C)O2 490515 RSHMTRLNXHBPIZ-UHFFFAOYSA-N 258.317 3.513 0 40 CHAB biogenic Oc1ccc(CC[C@H]2CC[C@@H](c3ccc(O)cc3)CO2)cc1 1581510 CZAHCAZTHZRDDI-APWZRJJASA-N 298.382 3.993 0 40 CHAB COc1cc(F)ccc1-c1ccc(F)cc1OC 1706195 QIXUFJYYNZWNEZ-UHFFFAOYSA-N 250.244 3.649 0 40 CHAB Clc1ccc2c(NCc3ccncc3)ccnc2c1 1726043 FTMVLKQKKMLZDB-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB CC1=C(C)C[C@H]2C(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[C@H]2C1 4530544 XGVLKZBDQXJEBB-GEEKYZPCSA-N 272.388 3.863 0 40 CHAB Cn1ncc2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc21 20604879 CBRORDIQLVZRSP-UHFFFAOYSA-N 295.239 3.793 0 40 CHAB Cc1cc(-c2csc(C3CCNCC3)n2)ccc1F 11632087 SIJICJQADSPPFZ-UHFFFAOYSA-N 276.380 3.725 0 40 CHAB CCC(=O)Nc1ccc(NC2Cc3ccccc3C2)cc1 37068481 FWJBBDVNGDMSKF-UHFFFAOYSA-N 280.371 3.614 0 40 CHAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2C1 100580382 NTOILMVFBNUTNC-DAXOMENPSA-N 293.366 3.765 0 40 CHAB Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccnc2)c1 56354096 RKYQOMKMFMHREU-INIZCTEOSA-N 281.359 3.759 0 40 CHAB COc1ccc(Cl)cc1CN[C@@H](C)c1ccccn1 35180212 JCUSQZFAACMOTP-NSHDSACASA-N 276.767 3.594 0 40 CHAB Cn1cc(C(=O)N[C@@H]2CCc3ccccc32)c2ccccc21 12561869 HWTIDAGSMIBWEI-QGZVFWFLSA-N 290.366 3.596 0 40 CHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(F)cc1)C2 12619113 JKLGNCDZKSBYQT-HNNXBMFYSA-N 287.359 3.790 0 40 CHAB CCOc1cc2c(cc1NC(=O)C1CCCC1)O[C@H](C)C2 12977063 BIENDDRGYANYRV-LLVKDONJSA-N 289.375 3.537 0 40 CHAB CCCCc1n[nH]c(=S)n1Cc1ccc(Cl)cc1 13597540 YJAPOVLCWSXABC-UHFFFAOYSA-N 281.812 3.985 0 40 CHAB O=C(Nc1ncc(-c2ccccc2)s1)N1CCC12CCC2 80780516 BXSIIRGSHXWTIM-UHFFFAOYSA-N 299.399 3.970 0 40 CHAB CC(C)CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4156296 XYIOYXGWBNSBAO-JISDDCRVSA-N 263.425 3.754 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc2cc[nH]c2c1 13624005 AFMULSHFZJQNCP-AWEZNQCLSA-N 292.382 3.919 0 40 CHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccco1 7685282 YZZRLFMSMRQHQM-UHFFFAOYSA-N 285.299 3.573 0 40 CHAB O=c1[nH]c(/C=C/c2c[nH]c3ccccc23)nc2ccccc12 16957155 XBWXOKMIKZWXBB-MDZDMXLPSA-N 287.322 3.575 0 40 CHAB Cc1cc(C)c2oc(-c3cccc(O)c3)cc(=O)c2c1 20272615 RJIQVVFWVGXZDS-UHFFFAOYSA-N 266.296 3.782 0 40 CHAB C[C@@H](NCc1cnc2ccccn12)c1cccc(Cl)c1 72272614 BRDFJVXAMZNQBB-GFCCVEGCSA-N 285.778 3.839 0 40 CHAB CN(CC1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1 71803327 WESLMSOAOXTLIO-UHFFFAOYSA-N 271.364 3.822 0 40 CHAB CCOC(=O)c1ccc2nc(-c3ccc(CC)cc3)cn2c1 85347585 YTYPDTOPQGIREN-UHFFFAOYSA-N 294.354 3.740 0 40 CHAB Cc1cccc(-n2ccnc2SC[C@@H](C)N(C)C)c1C 95941653 SWVCJOVIMTZETG-CYBMUJFWSA-N 289.448 3.531 0 40 CHAB CN(CCNc1ccc2c(c1)C(=O)CCC2)c1ccccc1 89346267 XYZAOQCULJLPHK-UHFFFAOYSA-N 294.398 3.754 0 40 CHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccsc2)C1=O 409009329 DHJVZBYTJLJUSA-QMEHYBMDSA-N 267.375 3.583 0 40 CHAB CCCCOc1ccc2c(c1)c(C=O)c(C)n2CC 217773266 GULKRKQNMVEUGB-UHFFFAOYSA-N 259.349 3.961 0 40 CHAB Cc1cc(Cl)nc(Cc2ccc(Br)cc2)n1 37504356 BZOYHNRZMJTXDM-UHFFFAOYSA-N 297.583 3.792 0 40 CHAB CC(C)Oc1ccc([C@H]2CCCCN2C(C)C)cn1 72211919 QIFGOQMSGVUKPP-OAHLLOKOSA-N 262.397 3.804 0 40 CHAB Cc1cccc(C(=O)c2c(Cl)cccc2Cl)n1 45028509 CRUJZSYJUMACDT-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(OC(F)F)cc2)s1 48332097 KYIFOARKSADEGY-UHFFFAOYSA-N 297.326 3.588 0 40 CHAB Cc1ccc(Nc2ccc(N)cc2C(=O)N2CCCC2)cc1 225463785 MZSJQKUWGBNYTI-UHFFFAOYSA-N 295.386 3.557 0 40 CHAB CC[C@H](N[C@H](C)c1ccc(C)s1)c1cnn(C)c1 195540561 BUAUKORTRXMEAI-YPMHNXCESA-N 263.410 3.592 0 40 CHAB CC(C)N(C(=O)c1ccc2oc(Cl)nc2c1)C(C)C 225977913 ZAXAPAIDJOFCGV-UHFFFAOYSA-N 280.755 3.740 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)C(C)C 225230526 GHSFOPHDBRMULR-HUUCEWRRSA-N 277.408 3.622 0 40 CHAB CCCCCNC(=O)c1ccc(OCC)c(COCC)c1 224699755 NTVZHKNUVHTQNC-UHFFFAOYSA-N 293.407 3.542 0 40 CHAB O=C1Nc2ccc(Cl)cc2/C1=C/c1ccccc1O 97990464 YIDBOTZEXAWRSI-GHXNOFRVSA-N 271.703 3.538 0 40 CHAB CCCCSc1nnc(-c2ccncc2)n1CCC 248038437 ZYAMNALZQYRBSG-UHFFFAOYSA-N 276.409 3.642 0 40 CHAB CC(C)C[C@H]1NCCC[C@H]1Nc1cccc(Cl)c1 257267602 MIAJZXXBBJGHHC-HUUCEWRRSA-N 266.816 3.919 0 40 CHAB Fc1cc(SC(F)F)ccc1Br 604221843 HMDTVZQWKLVXLV-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB CC[C@@H](C)Oc1ccc(OC)cc1Br 95915437 ROZXIYVAMNTRLK-MRVPVSSYSA-N 259.143 3.635 0 40 CHAB CC(C)Oc1nc2ccc(C(F)(F)F)cc2cc1N 685938613 QPEHESNALRPEMJ-UHFFFAOYSA-N 270.254 3.623 0 40 CHAB CC(C)c1cc(N2C[C@H](C)O[C@@H](C)C2)nc2c(N)cccc12 685938449 SKPMFMOPWNQITI-STQMWFEESA-N 299.418 3.554 0 40 CHAB Cc1nc(NC(=O)NC[C@@H]2CCCc3ccccc32)oc1C 65787931 WGNLPFMHAWBHFH-AWEZNQCLSA-N 299.374 3.533 0 40 CHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 4023795 CBMYJHIOYJEBSB-CUZKMJQKSA-N 292.463 3.751 0 40 CHAB endogenous,in-man C/C(=C\C(=O)N(C)Cc1ccccc1)c1ccccc1 5612438 LSNOODGRWQITDY-FYWRMAATSA-N 265.356 3.749 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)Cc1ccc(F)cc1 15686182 FXTMEFJDEPZLMU-CYBMUJFWSA-N 271.335 3.554 0 40 CHAB Cc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1 16644975 XNSHWJDEMATYQR-CQSZACIVSA-N 285.412 3.792 0 40 CHAB Fc1cc(Br)ccc1NCC(F)(F)F 20045185 RIPIQCIUALKMIW-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB CCc1nc(NC(=O)Nc2ccccc2C)sc1C 32611098 QWNMLINGLOBCIW-UHFFFAOYSA-N 275.377 3.966 0 40 CHAB CCC(=O)Nc1cccc(-c2nc3cccnc3s2)c1 2961399 XHEZHEOFRLGVBZ-UHFFFAOYSA-N 283.356 3.707 0 40 CHAB CC(=O)c1ccc2oc3ccc(C(C)=O)cc3c2c1 4852194 CKMFLEFBKFNOJP-UHFFFAOYSA-N 252.269 3.991 0 40 CHAB O=C(NC(=O)c1ccc(Cl)cc1)OC1CCCCC1 108053 IVFJPTPCEMTGPA-UHFFFAOYSA-N 281.739 3.539 0 40 CHAB CC(C)SCC(=O)Nc1ccccc1C(F)(F)F 149900 CUJZECKLNVQKCZ-UHFFFAOYSA-N 277.311 3.786 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 31245416 REDQWFANSZHEKR-ABAIWWIYSA-N 259.349 3.603 0 40 CHAB C[C@]12CC[C@@H]3[C@H]4CC[C@H](O)C[C@H]4CC[C@H]3[C@@H]1CCC2=O 6067693 UOUIARGWRPHDBX-MTYWFVNZSA-N 276.420 3.569 0 40 CHAB endogenous,in-man Cc1nc2nc(Cl)ccc2c(C)c1Br 11612409 PDIAQTYGDVPIQQ-UHFFFAOYSA-N 271.545 3.663 0 40 CHAB Cc1cccc(OCC(=O)N[C@H]2CCCc3ccccc32)c1 6433966 RECCQGDKBQCBNW-SFHVURJKSA-N 295.382 3.568 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)COc2ccc(Cl)cc2)[C@@H]1C 6435970 ZHGZWBNIFFCUSW-ZOWXZIJZSA-N 295.810 3.660 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)[C@]2(C)CC2(Cl)Cl)[C@@H]1C 6525599 FYNCDKRQFLAWQU-XNDJQWLSSA-N 278.223 3.511 0 40 CHAB CC(C)[C@@H](CC(=O)O)c1ccc(Br)cc1 11628860 KRUVSXKUNSQVEN-LLVKDONJSA-N 271.154 3.663 0 40 CHAB in-vitro CCc1cccc(N[C@H](C)C(=O)Nc2ccccc2F)c1 7240903 YPZAXONBMUSGHY-GFCCVEGCSA-N 286.350 3.827 0 40 CHAB Cc1cccc(C(=O)Nc2nc3ccccc3s2)c1 340556 RFPQSFCICWNNNL-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB Cc1ccc(NC(=O)CCc2cccs2)c(C)c1 23118605 SXSKQWJUHMSEKM-UHFFFAOYSA-N 259.374 3.936 0 40 CHAB Cc1cccc(CNC(=O)CCc2ccc(Cl)cc2)c1 26023277 INJBMPXKSWAFLO-UHFFFAOYSA-N 287.790 3.897 0 40 CHAB CN(CCCNc1nc2ccccc2o1)Cc1ccccc1 26082550 BFECOYHZMIJIGL-UHFFFAOYSA-N 295.386 3.762 0 40 CHAB Cc1cc(O)c(C(=O)CC(=O)c2ccccc2)cc1Cl 100083450 XNOUEBNIOPXNAO-UHFFFAOYSA-N 288.730 3.810 0 40 CHAB Cc1ccc(C)c(OCCCC(=O)N2CCCCCC2)c1 1779887 INXBOBMSBRFUJN-UHFFFAOYSA-N 289.419 3.865 0 40 CHAB O=C(Cc1c(Cl)cccc1Cl)NCc1ccccc1 3480545 MOTKZMWVEMBIFP-UHFFFAOYSA-N 294.181 3.852 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1cc2ccccc2[nH]1 12945320 SIHBFTRVOBKGIA-INIZCTEOSA-N 276.339 3.585 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1ccc(OC)cc1OC 4506199 KWKOZBIYVZZQIQ-LBPRGKRZSA-N 279.380 3.859 0 40 CHAB Cc1nnc([C@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)o1 69774840 BJCNFLWICQBNJU-ZUZCIYMTSA-N 289.354 3.709 0 40 CHAB Cc1csc(NC(=O)[C@@H](C)Nc2cccc(C)c2C)n1 7467684 ANNRUWPANSVHLW-GFCCVEGCSA-N 289.404 3.507 0 40 CHAB CCSc1ncc(CNC2CCCCCCC2)cn1 62717314 QINRIIXQCKUFFI-UHFFFAOYSA-N 279.453 3.791 0 40 CHAB FC(F)(F)c1ccc(N2CCCCCCC2)nc1 71797361 IAOMDIVCXQGCLZ-UHFFFAOYSA-N 258.287 3.871 0 40 CHAB Fc1ccc(COc2ccccc2-c2nnco2)cc1F 89821291 ZQTJQHIRKBXWHW-UHFFFAOYSA-N 288.253 3.594 0 40 CHAB COc1ccccc1-c1cnc(COc2cccnc2C)o1 97082608 LQNORUUUILAPCK-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB COc1ccc(C(=O)O)cc1-c1cccc([C@@H](C)N(C)C)c1 67774293 HCKOPTUYKXZIJM-GFCCVEGCSA-N 299.370 3.683 0 40 CHAB C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1 95968126 AJWXTGBRHMKPDP-ADLMAVQZSA-N 287.856 3.538 0 40 CHAB OC1=NC(=S)S/C1=C\c1ccc(N2CCCCC2)o1 38704527 IKNINPOACYDZCC-NTMALXAHSA-N 294.401 3.599 0 40 CHAB CC(C)C[C@@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72404455 ADHRDRNWPAVRSK-LLVKDONJSA-N 273.336 3.646 0 40 CHAB CCOc1ccccc1C(=O)c1ccc(Cl)cc1 37357961 UMUOLRVFWDHKLM-UHFFFAOYSA-N 260.720 3.970 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2C)cc1F 228699425 BLDHDDGUBKQQMZ-UHFFFAOYSA-N 272.319 3.958 0 40 CHAB CCc1ccc(CCC(=O)N[C@H]2CCc3ccccc32)cc1 48325664 YKOJVKHBDVOPLH-IBGZPJMESA-N 293.410 3.985 0 40 CHAB CCCCc1ccc(C(=O)OC)n1Cc1ccccc1 226027006 ARDJSOXUXHHBOU-UHFFFAOYSA-N 271.360 3.666 0 40 CHAB CC[C@H](C)Oc1ccccc1[C@@H](C)NCCCOC 225161690 RVPYOISYUKKLEQ-UONOGXRCSA-N 265.397 3.551 0 40 CHAB CCSc1nc(N)cc(Nc2ccccc2Cl)n1 49467551 FOVCCZDZNGUFCS-UHFFFAOYSA-N 280.784 3.568 0 40 CHAB COC(=O)[C@@H](C)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223194218 HRZJBCQAMCTMAO-UONOGXRCSA-N 289.419 3.957 0 40 CHAB COc1ccc(CC(=O)N2c3ccccc3C[C@@H]2C)cc1C 223187383 ZRQXYEHBVLAQGA-AWEZNQCLSA-N 295.382 3.524 0 40 CHAB Cc1ccc(SC(F)(F)c2nnc(C)o2)cc1 85397068 OZDBPFGHQBOURC-UHFFFAOYSA-N 256.277 3.528 0 40 CHAB CCc1ccc([C@@H]2CCCN2C(=O)CCc2cccnc2)o1 96409936 AJEUXSLHVHJGGW-INIZCTEOSA-N 298.386 3.533 0 40 CHAB c1ccc2oc(-c3nnc(SCc4ccon4)o3)cc2c1 96452658 TYTJQZJONWNTJQ-UHFFFAOYSA-N 299.311 3.763 0 40 CHAB COC(=O)c1cc2oc(-c3ccccc3Cl)cc2[nH]1 96517672 QNZMCSGLKNSTKS-UHFFFAOYSA-N 275.691 3.868 0 40 CHAB S=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 254302901 LXBJMJNIMDMNNW-OUJBWJOFSA-N 280.824 3.815 0 40 CHAB CCOC(=O)c1c[nH]c2ccc(Cl)c(Cl)c12 261060306 LAGHEEBJQRNXDF-UHFFFAOYSA-N 258.104 3.651 0 40 CHAB O=C(CC(F)(F)F)N1CCCC[C@H](c2ccccc2)C1 390827670 IVFAPUGQSQAVMI-ZDUSSCGKSA-N 285.309 3.735 0 40 CHAB CCCc1nccn1-c1cc(Br)ccc1F 95915658 YZJOXXOSUWWGET-UHFFFAOYSA-N 283.144 3.726 0 40 CHAB Cc1sc(-c2ccco2)nc1C(=O)N(C)C1CCCC1 69327800 KNGJPVNYXUIKCE-UHFFFAOYSA-N 290.388 3.726 0 40 CHAB C[C@@H](CSC(C)(C)C)Nc1ccc([S@@](C)=O)cc1 97084585 NWDLSBBGMKCJSN-VOJFVSQTSA-N 285.478 3.756 0 40 CHAB CCCCCN1CCN(c2ccc(C)c(C)c2)C1=O 5502672 GSSQDGUULBCKNV-UHFFFAOYSA-N 260.381 3.736 0 40 CHAB Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1F 13320159 KUZXKEFDNDUSAQ-RISCZKNCSA-N 264.344 3.834 0 40 CHAB OCCN(Cc1cccs1)Cc1cccc2ccccc12 13997427 DVASXNQUZFXSIJ-UHFFFAOYSA-N 297.423 3.896 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(OC)c1 14013387 FJPACBSROXQBHU-QGZVFWFLSA-N 299.370 3.800 0 40 CHAB CCC(CC)C(=O)Nc1cccc2ccc(C)nc12 15835307 RUEJZQCZGZQLRE-UHFFFAOYSA-N 256.349 3.918 0 40 CHAB CC(C)C[C@H](NCc1ccc(Cl)cc1Cl)C(=O)O 19787818 BSCQIEMIAQGBKH-LBPRGKRZSA-N 290.190 3.582 0 40 CHAB CCOc1cccc(C(=O)Nc2ccc(Cl)cc2N)c1 226349399 AGQFVKHJKSTHQD-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB C[C@@H]1CC=CC[C@H]1COCc1cccc(C(=O)O)c1 20519071 XXFBBSJHZMRSHZ-DOMZBBRYSA-N 260.333 3.504 0 40 CHAB in-vitro CC(C)NCc1cccnc1Oc1ccc(F)c(F)c1 11820907 UVDVUBPHGQTVCJ-UHFFFAOYSA-N 278.302 3.650 0 40 CHAB CC(C)(C)C(=O)c1ccc(OC(F)(F)F)c(F)c1 575242772 HIUMOLMSLKSZGI-UHFFFAOYSA-N 264.218 3.953 0 40 CHAB COC(=O)CCCC(=O)c1cccc(Cl)c1Cl 575360445 HJSNWXCVIIFUEM-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCCC1 5050196 NMSVMZREQJGTQU-UHFFFAOYSA-N 285.368 3.544 0 40 CHAB CCc1ccccc1NC(=O)c1cc2ccccc2[nH]1 32992742 YRFZRBKYDCVJQP-UHFFFAOYSA-N 264.328 3.983 0 40 CHAB CCN(CC)C(=O)c1cnc2ccc(F)cc2c1Cl 67341015 IZGIWAGEDKMIRS-UHFFFAOYSA-N 280.730 3.509 0 40 CHAB O=C1CC(c2ccccc2)=Nc2ccc(Cl)cc2N1 100914587 XFZDYWOZIMJTBG-UHFFFAOYSA-N 270.719 3.803 0 40 CHAB C[C@@H](NC(=O)NC1CCCC1)c1ccc(Cl)cc1 20538483 MUKNLKICPNTQHM-SNVBAGLBSA-N 266.772 3.643 0 40 CHAB CC(C)(C)[C@@]1(O)[C@@H]2CCCC[C@@H]2C(=O)N1c1ccccc1 4775593 DZYIOWGUAGPDHB-DAYGRLMNSA-N 287.403 3.574 0 40 CHAB Cc1ccc(CCCNC(=O)/C=C/c2ccccc2)cc1 10110375 ZJYVCQJFRSCFMN-BUHFOSPRSA-N 279.383 3.757 0 40 CHAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 363670 VBIQRRKCGQHGSA-CQSZACIVSA-N 299.370 3.800 0 40 CHAB CCOC(=O)/C=C1\N[C@]2(C)CCCC[C@H]2c2ccccc21 103548162 OZRYCWIDQSCEPD-CACBXLCASA-N 285.387 3.610 0 40 CHAB CC(C)(C)OC(=O)N[C@H](CCC(=O)O)CC1CCCCC1 59206660 KWAZBFFJSLAYPW-CYBMUJFWSA-N 299.411 3.715 0 40 CHAB O=C(Nc1nc(-c2ccccc2)cs1)C1CCCC1 2737828 VLLMJSUJYDCLSQ-UHFFFAOYSA-N 272.373 3.939 0 40 CHAB CCCC[C@@H]1OC[C@]2(COC(C)=O)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 107122855 PTOBLQWYQHCBCQ-SRIISGBFSA-N 294.435 3.973 0 40 CHAB CNc1nc2c(s1)[C@H](c1ccccc1Cl)CC(O)=N2 61719923 GXCZORCPNBRLDR-QMMMGPOBSA-N 293.779 3.962 0 40 CHAB O=[S@@](c1ccccc1)[C@H]1C[C@@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2 104292340 OITBQIGRFXNGRO-PWNJDQGRSA-N 284.424 3.929 0 40 CHAB CC[C@H](O)c1nc2ccccc2n1Cc1cccc(C)c1 21170989 NXTVBMAWUUISBY-KRWDZBQOSA-N 280.371 3.836 0 40 CHAB CCS[C@@H]1CC[C@@H](NC(=O)N(C)[C@H](C)c2ccco2)C1 107144869 AOWGHTKGXOJVSR-JHJVBQTASA-N 296.436 3.656 0 40 CHAB c1ccc2c(c1)ncn2CCCCn1cnc2ccccc21 3151405 HZBVLBOHWYTWCM-UHFFFAOYSA-N 290.370 3.866 0 40 CHAB COC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2s1 1652560 PKRYSGKDHHKOMQ-ZCFIWIBFSA-N 287.793 3.603 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1 7474523 ZPHYEXLDVAAROL-UHFFFAOYSA-N 296.729 3.655 0 40 CHAB C[C@@H]1c2cccn2CCN1Cc1cccc(Cl)c1 57992371 GYIYFQWIHPPQGI-GFCCVEGCSA-N 260.768 3.718 0 40 CHAB O=C(Cc1ccccc1F)Nc1cccc(-c2cnco2)c1 48205350 VDJKGTKDWWPTIF-UHFFFAOYSA-N 296.301 3.662 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(F)c(F)c1 3427275 ZYODWMUZYWJTCN-UHFFFAOYSA-N 286.281 3.627 0 40 CHAB CCSc1nnc(-c2ccncc2)n1-c1ccccc1C 4145548 DJPVTIDWCIHSGD-UHFFFAOYSA-N 296.399 3.750 0 40 CHAB O=C(NC1CCCCC1)c1cc2cc(Cl)ccc2[nH]1 4698879 UJYHQYATJGVQJY-UHFFFAOYSA-N 276.767 3.884 0 40 CHAB O=C(/C=C\c1ccccc1)OC/C=C\c1ccccc1 4705580 NQBWNECTZUOWID-BZHJKGMVSA-N 264.324 3.956 0 40 CHAB COC(=O)Nc1cc(NC(=O)C2(C)CCCC2)ccc1F 66489093 RTPSCXSIYZEMLI-UHFFFAOYSA-N 294.326 3.523 0 40 CHAB Cc1ccnc(NC(=O)c2c(-c3ccccc3)noc2C)c1 5936258 URNDYKOFPBYJPI-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CC[C@H](CNC(=O)c1ccc(F)cc1)c1ccccc1 8406974 YYNXJYJMEOFEAG-CYBMUJFWSA-N 271.335 3.749 0 40 CHAB CCCCCNCc1cc(Br)ccc1F 19901222 DDNYLUJOLSBDGP-UHFFFAOYSA-N 274.177 3.868 0 40 CHAB CCCOc1ccc(C(=S)NCc2ccco2)cc1 408571214 AGCUFZNRTNDLBR-UHFFFAOYSA-N 275.373 3.534 0 40 CHAB CC[C@H](CCO)NCc1ccc(-c2cccc(F)c2C)o1 77452803 MNFUDVXKVZVBME-CYBMUJFWSA-N 291.366 3.645 0 40 CHAB O=C(NCc1ccco1)c1cc(F)c(Cl)cc1Cl 9478464 QUKQLPCNKWCYNY-UHFFFAOYSA-N 288.105 3.656 0 40 CHAB C[C@H](NCc1cccnc1)c1ccccc1OC(F)(F)F 97016321 XWFRXXNXSJLRIP-NSHDSACASA-N 296.292 3.831 0 40 CHAB C[C@H](NCc1ccco1)c1ccc(F)cc1OC(F)F 95419194 ZYMSPWUMUQQYJQ-VIFPVBQESA-N 285.265 3.871 0 40 CHAB C[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc21 84715186 SFKQOWFDSNABBZ-OAHLLOKOSA-N 289.382 3.996 0 40 CHAB Cc1nc(C(C)C)sc1[C@H](C)NCCCn1ccnc1 89558964 NPYIAJHMBHGOJE-LBPRGKRZSA-N 292.452 3.512 0 40 CHAB CCc1ccc(C(=S)NCc2ccc(F)cc2)cc1 408578518 YIFMQKCCXZQRIE-UHFFFAOYSA-N 273.376 3.853 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1cnc2ccccc2c1 37761561 UFNCLQVQTCTEIJ-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB CCCCN1CCCC[C@H]1c1ccc(NC2CC2)nc1 72213803 OFMBPYTWFHKRAU-INIZCTEOSA-N 273.424 3.983 0 40 CHAB CCOC(OCC)c1cccc(O[C@@H]2CCCCO2)c1 43503336 IJFWEFAZIAHNBS-OAHLLOKOSA-N 280.364 3.664 0 40 CHAB Cc1sc(Nc2cccc(Cl)c2)nc1C(=O)O 137199226 AXBQILFRSRYGCI-UHFFFAOYSA-N 268.725 3.547 0 40 CHAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C)c1 225689739 WEZKKZDKNIHLLE-QGZVFWFLSA-N 293.407 3.783 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)Cc1cc(C)ccc1C 224004012 SCBIGQRFDYJKIN-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB CCCC[C@H]1C[C@@H](NC(=O)CC(C)C)[C@@H]2CCC[C@H]2O1 257285304 PGNSSRCKXYMLBA-CAOSSQGBSA-N 281.440 3.665 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc2cccnc12 43529729 KRVAXIPCVWHDAL-CHWSQXEVSA-N 298.390 3.534 0 40 CHAB O=C(N[C@@H]1C[C]2CCC1CC2)[C@H]1CCCc2ccccc21 1560410017 MTNOUPZVURTLEW-ZWKOTPCHSA-N 282.407 3.760 0 40 CHAB CCCC[C@H](CC)OC(=O)c1cccc(C(=O)O)c1 5784561 ARTKYGDWBGWUCF-ZDUSSCGKSA-N 264.321 3.510 0 40 CHAB Cc1ccc(OCCNC(=O)c2ccc(C)cc2C)c(C)c1 15139461 MHYCWSRECGGMLO-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccncc1 32967330 RIUJNZDKGNJQLP-UHFFFAOYSA-N 295.169 3.661 0 40 CHAB Cc1ccccc1Cn1cccc1CNCC(C)C 37696416 RCCUGGKSEVGYEL-UHFFFAOYSA-N 256.393 3.590 0 40 CHAB CC(C)Cc1ccc(C2=CSC3=NCCN23)cc1 64018 RNGTZDASLJDYAT-UHFFFAOYSA-N 258.390 3.602 0 40 CHAB Cc1ccc(CN(C)C(=O)CSCc2cccs2)o1 40161962 GLRWPUAADUMMBF-UHFFFAOYSA-N 295.429 3.541 0 40 CHAB CCCCc1ccc(-c2cc(C(=O)OCC)no2)cc1 1857793994 ODMZEZMEQKHEKB-UHFFFAOYSA-N 273.332 3.861 0 40 CHAB CCSc1nnc2c(C)cc3ccc(C)c(C)c3n12 416321 XXSMUQXFFWASKR-UHFFFAOYSA-N 271.389 3.920 0 40 CHAB c1ccc(CN(CCN2CCCCC2)c2ccccn2)cc1 1602367 AEFHEVVEKKHJHN-UHFFFAOYSA-N 295.430 3.574 0 40 CHAB Cc1ccc(N2C=[N+](C)c3ccc(C)cc3C2)cc1 1686386 LGBFHALXCLTSSZ-UHFFFAOYSA-N 251.353 3.626 0 40 CHAB C[C@H](c1ccncc1)N(C)Cc1ccc(F)cc1F 67716154 XTLCLGNQSDHOKD-LLVKDONJSA-N 262.303 3.553 0 40 CHAB Cc1ncsc1C(=O)N[C@@H](C)c1ccc(Cl)s1 40529185 GCCIGBBFCXGFDR-LURJTMIESA-N 286.809 3.657 0 40 CHAB Cc1ccc(C)c(NC(=O)N(Cc2ccccn2)C2CC2)c1 40525202 IQXJQKIPVGPURU-UHFFFAOYSA-N 295.386 3.895 0 40 CHAB Cc1cc2cc(CN[C@@H]3CCCC[C@H]3C)c(=O)[nH]c2cc1C 4130518 ZVFAZZPOEXSAFE-SJKOYZFVSA-N 298.430 3.813 0 40 CHAB CCc1ccc(CCC(=O)NCc2ccc(C)cc2)cc1 10360493 HSBZZMCXEYKIQI-UHFFFAOYSA-N 281.399 3.806 0 40 CHAB C[C@@H]1[C@@H](NC(=S)Nc2ccccc2)CCC[C@H]1C 102194728 POCWVXYCWXWCGM-DYEKYZERSA-N 262.422 3.798 0 40 CHAB CCCOc1ccccc1NC(=O)c1ccccc1 7407904 IYLYMOAFVJRDDA-UHFFFAOYSA-N 255.317 3.728 0 40 CHAB Cc1ccc(CC(=O)Nc2ccccc2Cl)cc1 578026 FCHQDWQUFHVDAQ-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1C 20025623 GDMNVMZNKQQTHM-UHFFFAOYSA-N 291.297 3.924 0 40 CHAB COCCCC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 42380633 QMUHCABIYYFDHR-IBGZPJMESA-N 297.398 3.627 0 40 CHAB Cc1ccc2cccc(NC(=O)c3ccc(F)cc3)c2n1 15835223 MHMHKBUXDFCRQA-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB Cc1nc2ccccc2n1Cc1cc(-c2ccco2)on1 12535862 QTBZMHLCHWCFHX-UHFFFAOYSA-N 279.299 3.641 0 40 CHAB Cc1cccc(NC(=O)c2cc(F)ccc2F)c1C 22560697 HBASGLYZFMMNAV-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1ccoc1C(=O)N[C@H](c1ccccc1)c1ccccn1 12536485 SQUPSQSMGMJYIC-MRXNPFEDSA-N 292.338 3.502 0 40 CHAB Cc1cc(C)cc(NC(=O)CN2c3ccccc3C[C@@H]2C)c1 3290717 YVGONKWIJAJEDE-HNNXBMFYSA-N 294.398 3.693 0 40 CHAB CCOc1ccc(OCc2ccc(-c3nnco3)cc2)cc1 3256236 CUMXMZRDKLQZRW-UHFFFAOYSA-N 296.326 3.714 0 40 CHAB C[C@@H](NC(=O)NCc1ccccc1)c1cccc(Cl)c1 17115552 LJGLYHCKJRRUOH-GFCCVEGCSA-N 288.778 3.900 0 40 CHAB O=C(/C=C/c1cc(Cl)ccc1Cl)NCC1CC1 27467525 IJFGUGOCXRLMRP-ZZXKWVIFSA-N 270.159 3.533 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1ccc2ccccc2n1 58323468 HEBOIFONFYWQNY-LBPRGKRZSA-N 252.317 3.530 0 40 CHAB Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1C(F)(F)F 12857349 DUFCRFFCIIGWDL-SCZZXKLOSA-N 257.255 3.608 0 40 CHAB CC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2C)s1 12908058 INKZVOXZGWBUSI-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB CN(CC1CCCCC1)C(=O)Cc1c[nH]c2ccccc12 12972832 UABVXAUPDOZMIK-UHFFFAOYSA-N 284.403 3.749 0 40 CHAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C)cc1 3504303 HQLXEFCLOHVRGM-CQSZACIVSA-N 297.354 3.604 0 40 CHAB COC(=O)c1ccc(/C=C/c2nc3ccccc3o2)cc1 5248403 LFKYHHMUHQWEEF-DHZHZOJOSA-N 279.295 3.785 0 40 CHAB O=C(Cc1ccccc1Cl)Nc1ccc(F)cc1 6340495 PQDPIXGSQHKHHV-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB CCCNC(=O)/C=C/c1cc2cc(Cl)cc(OC)c2o1 67340008 KRISKIKRCHCMFW-SNAWJCMRSA-N 293.750 3.634 0 40 CHAB COc1ccc([C@@H](N[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 9047379 LLBTWBHSCBMVQB-WBVHZDCISA-N 291.435 3.940 0 40 CHAB Cc1cc([C@@H](C)NC(=O)N(C)[C@@H](C)C2CC2)c(C)s1 84081821 XGKXEZOEELQYMO-MNOVXSKESA-N 280.437 3.866 0 40 CHAB CSc1cccc(C(=O)c2ccc(F)cc2F)c1 71790760 MRTSJCRTEZAPFP-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB in-vitro CCCOc1ccccc1C(=O)Nc1cccc(F)c1 78536272 KGKXPSOWBGQCKK-UHFFFAOYSA-N 273.307 3.867 0 40 CHAB COc1ccc(CNC(=S)c2cccc(Cl)c2)cc1 408573197 IYULQHUHLOVSQO-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)CCc1ccccc1 32781385 LEXAQBQFMXCUPJ-CYBMUJFWSA-N 285.412 3.827 0 40 CHAB CC[C@@H](O)c1cnc(Sc2ccccc2)cc1C 72223183 YWTWCGPEVPKBJR-CQSZACIVSA-N 259.374 3.985 0 40 CHAB CCCCCNC(=O)c1ccc(OC)c(COCCC)c1 224418350 DNUYUSHFTRPBHR-UHFFFAOYSA-N 293.407 3.542 0 40 CHAB CC(C)(C)c1ccc(N2CCN[C@H]3CCCC[C@@H]32)cc1 225714444 FAEJKDIDUFPESY-IRXDYDNUSA-N 272.436 3.705 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1)c1ccc2c(c1)CCC2 223156948 AJMHFYLFKRQMEW-OAHLLOKOSA-N 293.410 3.985 0 40 CHAB O=C(c1ccc(Oc2ccccc2)cc1)c1ncco1 85651134 SETVYQYNYUPHSL-UHFFFAOYSA-N 265.268 3.698 0 40 CHAB CCOc1ccc(NC(=O)Cc2ccc(OC)c(C)c2)cc1 224877845 KJGRRKAHIBSQCT-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB Clc1ccc(Cl)c(OCC[C@H]2CCCNC2)c1 42772349 ICLODPRFMAXAJD-SNVBAGLBSA-N 274.191 3.762 0 40 CHAB COCCC1(CNC(=O)Nc2cccc(C)c2Cl)CC1 96481407 KZKXDCCPHXTOEW-UHFFFAOYSA-N 296.798 3.587 0 40 CHAB O=C1CC[C@@H]1c1ccccc1OCc1ccccc1 96179495 SORBOBSHBZJACT-CQSZACIVSA-N 252.313 3.712 0 40 CHAB Fc1ccc(Cl)cc1-c1n[nH]c2c1CCCC2 95098097 LHZUXWFOOGYGOQ-UHFFFAOYSA-N 250.704 3.748 0 40 CHAB C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@H](O)C3)CC[C@@H]12 248333141 JWCUOJUQSHVMBS-JFOHDYCDSA-N 278.392 3.519 0 40 CHAB O=C(NCCc1ccoc1)Nc1ccccc1C(F)(F)F 90607464 WGJWMTYPFBXTIN-UHFFFAOYSA-N 298.264 3.663 0 40 CHAB C[C@@H](Cc1csc2ccccc12)NC(=O)CC1CC1 575606068 JSBYVCWSTASIOX-NSHDSACASA-N 273.401 3.749 0 40 CHAB O=C(c1cccc(F)c1)N1CC[C@H](c2cccs2)C1 826607658 HRTSDSRAYLVESE-LBPRGKRZSA-N 275.348 3.517 0 40 CHAB Cc1noc([C@@H](C)S[C@H](C)c2nnc(CC(C)C)o2)n1 89718575 BBKQUYRKIQGJKW-RKDXNWHRSA-N 296.396 3.515 0 40 CHAB C[C@H]1CN(Cc2ccccc2)Cc2ccc(Cl)nc21 140427651 OJAHYZOCPNDRRI-LBPRGKRZSA-N 272.779 3.854 0 40 CHAB O=Nc1c(-c2cccc3ccccc23)nc2ncccn12 5729179 PDLPCTVNMWIVKE-UHFFFAOYSA-N 274.283 3.947 0 40 CHAB Fc1ccc(-c2cnc(S)n2Cc2ccco2)cc1 13483160 GKNRHSYTWLAYQF-UHFFFAOYSA-N 274.320 3.619 0 40 CHAB Clc1cccc(CCNc2ncnc3ccccc23)c1 31949134 GOHWTSFKVLHREU-UHFFFAOYSA-N 283.762 3.938 0 40 CHAB Cc1cc2c(cc1C)[C@H](c1cccc(F)c1)CC(=O)N2 139783 BHTBGORNGVAWEX-AWEZNQCLSA-N 269.319 3.917 0 40 CHAB CC[C@H]1C[C@@H](CNC(=O)Nc2ccc(OC)cc2)C1(C)C 195278 ZXMJABXGGPNMTA-STQMWFEESA-N 290.407 3.889 0 40 CHAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(F)cc2)C1 201780 XAWQABVNPUODMK-RHSMWYFYSA-N 275.367 3.867 0 40 CHAB COc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 11202375 IKTOEDGMXZDARL-KRWDZBQOSA-N 281.355 3.576 0 40 CHAB O=C(O)c1ccc(Oc2ncccc2C(F)(F)F)cc1 20357721 QIGRVKHCROHFFD-UHFFFAOYSA-N 283.205 3.591 0 40 CHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H](O)c1ccccc1 1319459 XEOQHVVLXIUVHB-QMCVQRASSA-N 290.403 3.724 0 40 CHAB Cc1ccc(C(=O)c2ccc(CN3CCCC3)cc2)cc1 2514547 YTFCJRMAWOOWPC-UHFFFAOYSA-N 279.383 3.822 0 40 CHAB COc1cccc(CC(=O)c2c[nH]c3ccccc23)c1 1686457 ARFFOHOHHLLSDF-UHFFFAOYSA-N 265.312 3.602 0 40 CHAB CCC(=O)Nc1ccc(Oc2ccccc2OC)cc1 11516293 IUUZLQBBHAMUEF-UHFFFAOYSA-N 271.316 3.836 0 40 CHAB Cc1ccc(OCCCCn2nnc3ccccc32)cc1 4487663 PUYUBDAAUBBCEJ-UHFFFAOYSA-N 281.359 3.599 0 40 CHAB CC(C)c1cc(C(=O)N2CCCC2)c2ccccc2n1 29485975 KOAKVKGVNYKOGF-UHFFFAOYSA-N 268.360 3.594 0 40 CHAB OC1=Nc2n[nH]cc2[C@H](c2cccc(C(F)(F)F)c2)C1 20738445 HSPSICMNOAPCBV-VIFPVBQESA-N 281.237 3.552 0 40 CHAB CC(C)CCNC(=O)c1ccc(Cl)c2cccnc12 29740188 PCQJKBCXBSROMR-UHFFFAOYSA-N 276.767 3.664 0 40 CHAB CCc1ccc(NC(=O)c2ccc3nsnc3c2)cc1 8072138 IOSYGHPYJJVIKW-UHFFFAOYSA-N 283.356 3.506 0 40 CHAB COc1cccc(C=O)c1Nc1ccc(C)c(C)c1 8703699 HKJAQXRIZNCESP-UHFFFAOYSA-N 255.317 3.868 0 40 CHAB O=C(NCc1ccccc1)c1cccc(C(F)(F)F)c1 2656674 DYXMHFIRBKXHTB-UHFFFAOYSA-N 279.261 3.635 0 40 CHAB O=C(O)c1cc([C@H]2C[C@H]3C=C[C@H]2C3)nc2ccccc12 100018461 QKDDGOCUYOOPRI-GVXVVHGQSA-N 265.312 3.613 0 40 CHAB CCSc1nc(N)c2c3c(sc2n1)CCC[C@H]3C 520098 HUXJIRRJTPCWPP-SSDOTTSWSA-N 279.434 3.825 0 40 CHAB O=C(O)CC1(CC(=O)Nc2cccc(Cl)c2)CCCC1 520358 HLSSINFNRQPRLG-UHFFFAOYSA-N 295.766 3.704 0 40 CHAB CCCc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1 24988353 VZFZXDFRRKJSGO-QGZVFWFLSA-N 298.361 3.862 0 40 CHAB CC1(C)CN(c2ccc(OCc3ccccc3)cc2)C1=O 1403393 DCIZTPFUBXOHGO-UHFFFAOYSA-N 281.355 3.638 0 40 CHAB CSc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 47464558 XQPFYRDPRYTVBJ-VXGBXAGGSA-N 263.406 3.527 0 40 CHAB O=C(NC1CCCCCC1)c1ccc(-c2cnco2)cc1 47410636 SDGOGBIRTYJMFN-UHFFFAOYSA-N 284.359 3.794 0 40 CHAB CCc1noc(C)c1C(=O)N[C@H](C)c1cc2ccccc2o1 26386569 BJGCDFGLWSWPMV-SNVBAGLBSA-N 298.342 3.783 0 40 CHAB O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCCC1 48488742 TYGLYFWSLHQFBJ-UHFFFAOYSA-N 290.310 3.926 0 40 CHAB Cc1cccc2c(Oc3cccc(N)c3)ccnc12 64875326 SMHQNHFGMUNVQI-UHFFFAOYSA-N 250.301 3.918 0 40 CHAB Cc1cc(C)c(C(=O)NCCc2ccc(F)cc2)c(C)c1 17009498 WWVMBAGMJSSUGV-UHFFFAOYSA-N 285.362 3.723 0 40 CHAB Cc1cccc(NCc2cc3ccc(C)cc3[nH]c2=O)c1 5026336 ZBTAYHSNGFYARS-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB CCCC(C)(C)NC(=O)c1cnc(C(C)(C)C)s1 65040945 QNVKUUCDCHVQSV-UHFFFAOYSA-N 268.426 3.749 0 40 CHAB CCOc1ccc(NC(=O)c2ccc(Cl)o2)cc1 14068061 AQYYKCJJCHQOHT-UHFFFAOYSA-N 265.696 3.584 0 40 CHAB CCOc1ncccc1C(=O)Nc1cccc(Cl)c1C 14495192 GCSLYUUEZPADOO-UHFFFAOYSA-N 290.750 3.694 0 40 CHAB O=C(Oc1ccc(F)cc1)c1cc(-c2cccs2)on1 15669790 XKEOBEJBOYVSQO-UHFFFAOYSA-N 289.287 3.761 0 40 CHAB CC(=O)Nc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 7598407 DSXRRCUSDUWPHH-UHFFFAOYSA-N 296.370 3.561 0 40 CHAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 7757956 MQIJJHLZTBLRKU-KRWDZBQOSA-N 297.354 3.905 0 40 CHAB Cc1cccc(NC(=O)c2ccc3c(c2)OCCCO3)c1C 19169217 BDGUGDVVQQLESE-UHFFFAOYSA-N 297.354 3.717 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)s1 9499878 GMSUQBGCYPJONA-VIFPVBQESA-N 281.327 3.826 0 40 CHAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cc2cc(Cl)ccc2o1 97370977 CKAXKZTXEDSHQU-COPLHBTASA-N 291.778 3.674 0 40 CHAB CCc1cc(N(C)[C@H](C)C(C)C)nc(-c2ccncc2)n1 95959039 PNSBBXAUWYTPGR-CYBMUJFWSA-N 284.407 3.582 0 40 CHAB C[C@H](CN[C@H](C)CC(=O)Nc1ccccc1)c1ccccc1 78739015 SEIJXLZAUXTPIB-HZPDHXFCSA-N 296.414 3.797 0 40 CHAB CCSc1ccccc1OCc1nc(C)c(C)o1 89275351 AJCHALJKSCQBSE-UHFFFAOYSA-N 263.362 3.982 0 40 CHAB Clc1nc(-c2ccc(Br)cc2)ns1 36469103 ZRTQOXAJYWTSKB-UHFFFAOYSA-N 275.558 3.621 0 40 CHAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCCN1C 72219294 UYHMXXMEPCPVBC-INIZCTEOSA-N 273.424 3.537 0 40 CHAB Cc1ccccc1-c1nnc(NC(=O)c2ccccc2)s1 56894496 YCUZDGQNGZONJU-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB COc1ncc([C@@H]2CCCCN2CC(C)C)cc1C 72217743 RJJOSEROBQVSAB-HNNXBMFYSA-N 262.397 3.582 0 40 CHAB CCN1CCCC[C@H]1c1ccc(N2CCCCC2)nc1C 72219297 XSABRXPCJBXZLH-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB CC(C)(C)Sc1ncnc(Cl)c1-n1cccc1 217468481 ZAMKHMJNVYNNHD-UHFFFAOYSA-N 267.785 3.811 0 40 CHAB CCN(Cc1c[nH]c2ccccc12)C(=O)c1scnc1C 188952722 BUWSHPDNJIPCAU-UHFFFAOYSA-N 299.399 3.595 0 40 CHAB Cc1ccc(I)c2ccccc12 71256762 SOOPESABWKAQTM-UHFFFAOYSA-N 268.097 3.753 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1ccc(F)cc1Cl 61845490 BPOYOVXXFPBKPV-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB CN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358368 WUGBIZSYOULTQC-ZDUSSCGKSA-N 287.794 3.606 0 40 CHAB c1ccc(CN2CCCC[C@H]2c2ccncc2)cc1 72211050 XAEJVXZQIVOGMD-KRWDZBQOSA-N 252.361 3.809 0 40 CHAB CCOC(C)(C)C(=O)Nc1ccc(OC2CCCC2)cc1 225646820 FZLSQSMYIHDXMV-UHFFFAOYSA-N 291.391 3.762 0 40 CHAB CC[C@@H](CNC(=S)Nc1ccncc1)Cc1ccccc1 225634056 ACDWRELTIRKVGR-CQSZACIVSA-N 299.443 3.637 0 40 CHAB CCCNC(=O)N[C@H](c1ccccc1)c1cccc(C)c1 225775039 YLZHCTJJFNAROJ-QGZVFWFLSA-N 282.387 3.794 0 40 CHAB CCOc1c(Br)ccc2oc(C(=O)O)c(C)c12 85395662 KOMGVHRXBMWZQU-UHFFFAOYSA-N 299.120 3.601 0 40 CHAB COc1ccc(NCc2ccccn2)cc1C(F)(F)F 199766393 STZOXXVMLNFLMP-UHFFFAOYSA-N 282.265 3.721 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1ccnc2ccccc12 83313694 WWCWHECLANIQID-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB O=C(N1CCC(=C2CC2)CC1)C1(c2ccc(F)cc2)CC1 238944103 WGLTZYGKMMRDEL-UHFFFAOYSA-N 285.362 3.570 0 40 CHAB Cc1ccc(-c2noc(-c3ccc(N)cc3Cl)n2)cc1 48814601 QBZMQVNTYXUULV-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB Clc1ccc2c(c1)OC[C@@H](c1cccs1)N2 96531254 XBQVKYSDKNHDSR-JTQLQIEISA-N 251.738 3.947 0 40 CHAB Cc1c(C(=O)C(F)(F)F)cccc1C(F)(F)F 95634675 PCYITXYEDKKLLY-UHFFFAOYSA-N 256.145 3.759 0 40 CHAB NC1(c2ccc3cc(Br)ccc3c2)CC1 258731432 YETFJTWUJUGIFS-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB CCOC(=O)c1ccc(C(=O)CC(C)(C)C)s1 575362007 UHIZMNDMPVHMQZ-UHFFFAOYSA-N 254.351 3.544 0 40 CHAB Cc1ccc(C)c(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 16191122 XJQAVJKSOFJMHN-GZBFAFLISA-N 274.433 3.778 0 40 CHAB O=C(C[C@H](c1ccc(F)cc1)c1ccco1)N1CCCC1 551125 QKRWAYNFRANIMC-OAHLLOKOSA-N 287.334 3.563 0 40 CHAB COc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1 22005456 DGODCJUPOVOBKP-UHFFFAOYSA-N 279.383 3.985 0 40 CHAB Cc1cc([C@@H](O)CCNc2nc3ccccc3o2)c(C)o1 1775970378 KVVHGHQGNOSJAB-AWEZNQCLSA-N 286.331 3.573 0 40 CHAB CCc1ccc(OCCNC(=O)OCc2ccccc2)cc1 2171984 HALIHVOKPFGOIC-UHFFFAOYSA-N 299.370 3.554 0 40 CHAB CC(=O)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 1597433 FLBMKFDKDSWBQG-HNNXBMFYSA-N 260.720 3.993 0 40 CHAB COc1cccc(C(=O)CCc2ccc(C)cc2)c1 2516430 HFCCYIFOQKGQGN-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB Cc1nc(C)c2c(n1)Oc1ccc3ccccc3c1C2 1703711 NMUSDFQXZQWRLO-UHFFFAOYSA-N 262.312 3.943 0 40 CHAB Cc1ccc(C(C)(CCC(=O)O)c2ccc(C)o2)o1 1736332 DERUJGCJUSYUCJ-UHFFFAOYSA-N 262.305 3.660 0 40 CHAB O=C(Oc1ccc(-c2ccccc2)nn1)c1cccc(F)c1 2882871 WPBBHXSNBNGACS-UHFFFAOYSA-N 294.285 3.502 0 40 CHAB CC1=CC[C@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3[C@H]2C1 4026665 WWIMATJEWPNNPT-RVKKMQEKSA-N 292.382 3.580 0 40 CHAB CC1(C)O[C@@H](c2ccccc2)[C@@H]2C[C@H]1CC[C@]2(C)O 4310800 LEVCRGWPKKRIOU-AESZEHBQSA-N 260.377 3.704 0 40 CHAB COc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 348912 QQRFCPMJULPVNR-UHFFFAOYSA-N 258.708 3.663 0 40 CHAB CC(=O)Oc1c(Cl)cc(-c2ccccc2)cc1C(=O)O 57340097 MPCDWUCKUMINSL-UHFFFAOYSA-N 290.702 3.631 0 40 CHAB CCC[C@H]1CCCN(C(=O)c2cccc3cn[nH]c23)CC1 71185229 PRAJFEZHDADJQP-ZDUSSCGKSA-N 285.391 3.605 0 40 CHAB C[C@H](NC(=O)CCc1ccsc1)c1ccc(F)c(F)c1 24649191 ZRUZLWIZOMDXMW-JTQLQIEISA-N 295.354 3.836 0 40 CHAB CC(C)(C)C(=O)c1cc(Br)cc(F)c1O 52068549 SKWJLZUOXRSVRS-UHFFFAOYSA-N 275.117 3.523 0 40 CHAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1Cc1ccccc1 106832800 VOYDZCOAFFUSCA-BRWVUGGUSA-N 295.382 3.617 0 40 CHAB CC(=O)Nc1ccccc1OCc1ccc(Cl)s1 12567693 AYXWZCQMUUYWMA-UHFFFAOYSA-N 281.764 3.939 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nnc(C(C)C)s2)C1(C)C 26601279 VGSJKDUSHOPWAZ-MNOVXSKESA-N 293.436 3.838 0 40 CHAB O=C1[C@@H]2CC=CC[C@@H]2[C@H]2c3[nH]c4ccccc4c3CCCN12 2097309 XUWVWNMIJTWBHD-DAYGRLMNSA-N 292.382 3.580 0 40 CHAB biogenic Cc1ccc(-c2cc(C(=O)Nc3ccncc3)no2)cc1C 27663633 BEDWCDQYYISYIO-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB COCc1cccc(C(=O)Nc2cccc3ncccc23)c1 12971960 XADXRWJVNSWNML-UHFFFAOYSA-N 292.338 3.634 0 40 CHAB Cc1c(C2CC2)n[nH]c1NC(=O)CC1CCCCC1 64347612 PZTKHIQWIZZJPJ-UHFFFAOYSA-N 261.369 3.504 0 40 CHAB Cc1c(C(=O)Oc2ccccc2)oc2ccccc12 6078111 VITIJZNGECXFAR-UHFFFAOYSA-N 252.269 3.960 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)s2)o1 39975818 SSORRIABWNYNLD-SNVBAGLBSA-N 263.362 3.757 0 40 CHAB Cc1cccc(C(=O)N2CCc3ccccc32)c1C 6375372 ZQTYICYZOJTGGR-UHFFFAOYSA-N 251.329 3.506 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)c1cc2ccccc2o1 5510688 WVFIGEOIJNNBIG-LBPRGKRZSA-N 295.338 3.932 0 40 CHAB CCOc1ccc(Br)cc1CN(CC)CC 4981528 DOMRRMQOEDFLKU-UHFFFAOYSA-N 286.213 3.690 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1cccc2c1CCCC2 15302739 PUNNLTWPNVZCQI-UHFFFAOYSA-N 283.346 3.886 0 40 CHAB c1ccc(-c2cc(Cn3cnc4ccccc43)no2)cc1 8779749 CZZFBCOUAABOSI-UHFFFAOYSA-N 275.311 3.740 0 40 CHAB CSCC(=O)Nc1ccccc1Cc1ccccc1 7344686 QCOVARKAHLAMIF-UHFFFAOYSA-N 271.385 3.579 0 40 CHAB CCCCc1ccc(CC(=O)Nc2nccs2)cc1 16482935 SBOQCHUPXJSRNG-UHFFFAOYSA-N 274.389 3.667 0 40 CHAB C[C@H](CN(C)C(=O)c1cccc2[nH]ccc12)c1nccs1 96011027 ODIKRHMKUVCTIP-LLVKDONJSA-N 299.399 3.500 0 40 CHAB CC(C)(C)[S@](=O)CCNCc1cc2ccccc2s1 89694433 CDANTVKBPHSEGB-IBGZPJMESA-N 295.473 3.538 0 40 CHAB CCCN1CCCC[C@@H]1c1c(OC)cccc1OC 72221436 YFXGOEPGTDXKKS-CYBMUJFWSA-N 263.381 3.641 0 40 CHAB C[C@H](NC(=O)CCc1ccsc1)c1ccc(F)cc1 24644368 ZLMUPCRAYIZYNX-NSHDSACASA-N 277.364 3.697 0 40 CHAB C/C(=C\c1ccccc1)CNC[C@H]1CCCn2cc(C)nc21 98052808 LNNPJIYSOMRKNJ-HAZIXKIPSA-N 295.430 3.762 0 40 CHAB Cc1ncsc1CNc1ccnc2cc(F)ccc12 79097079 VCHSIJQAZZSCDM-UHFFFAOYSA-N 273.336 3.751 0 40 CHAB c1ccc2sc(-c3ccc4c(c3)CCN4)nc2c1 36804905 PFXRDQIPGQMTLU-UHFFFAOYSA-N 252.342 3.931 0 40 CHAB COC(=O)c1ccc2nc(-c3ccc(F)cc3)sc2c1 73740487 XFQCHUMCZVLWPK-UHFFFAOYSA-N 287.315 3.889 0 40 CHAB CCCNC(=O)c1ccc(COc2cc(C)ccc2C)o1 32610805 HBMWUGKNYHAVQX-UHFFFAOYSA-N 287.359 3.615 0 40 CHAB CC(C)Oc1cccc(C(=O)Nc2ccc([C@@H](C)O)cc2)c1 226273326 GWRDBRMOXORASK-CYBMUJFWSA-N 299.370 3.779 0 40 CHAB CC(=O)c1c(Br)cc(C)cc1Br 199538868 MNORENUMLRVOJR-UHFFFAOYSA-N 291.970 3.723 0 40 CHAB CCNc1ccc2oc(-c3cc(OC)cc(OC)c3)nc2c1 226283646 GFACLRTZXWGRQG-UHFFFAOYSA-N 298.342 3.944 0 40 CHAB CCc1ccc(CC(=O)Nc2cccc(F)c2)cc1 224979644 GGIHZFKUUOEDEP-UHFFFAOYSA-N 257.308 3.569 0 40 CHAB CCOc1ccc(NC(=O)C(C)(C)OC)c2ccccc12 225789789 GSEHXLOVUVAMFH-UHFFFAOYSA-N 287.359 3.602 0 40 CHAB Cc1ccc(CCCNC(=O)c2cc(C)ccc2C)cc1 223865597 ACDXHDWNICZQTP-UHFFFAOYSA-N 281.399 3.974 0 40 CHAB CC(C)c1cc(C(=O)Nc2cccc3cccnc23)no1 82336595 ADCQWCRVBMLOMA-UHFFFAOYSA-N 281.315 3.599 0 40 CHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1 225649391 PATIQGQNHPYUGO-KRWDZBQOSA-N 293.407 3.865 0 40 CHAB O=C(Nc1cnoc1)c1ccc(Oc2ccccc2)cc1 75170904 NXDIBWXAYUAMDY-UHFFFAOYSA-N 280.283 3.719 0 40 CHAB CCCC[C@](C)(OC)C(=O)Nc1cc(C)c(OC)c(C)c1 225620505 NGERJSWVMOVJTD-KRWDZBQOSA-N 293.407 3.846 0 40 CHAB CC(C)(C)c1cc(NC(=O)N2CC[C@@H]2c2ccccc2)no1 95348973 ITYFRDCHJYYMDT-CYBMUJFWSA-N 299.374 3.951 0 40 CHAB COc1cc(OCc2ccc(Cl)cc2)c(C(=O)O)s1 96510890 GJYIDZVBLWVMMD-UHFFFAOYSA-N 298.747 3.687 0 40 CHAB CC(C)(C)SCCN[C@H](c1nccs1)C1CC1 252490265 KNJWCLQVXXRIFK-NSHDSACASA-N 270.467 3.716 0 40 CHAB COC(=O)c1ccc2oc(-c3cccc(C)c3)nc2c1 85386340 TXINBLFMMNBCPB-UHFFFAOYSA-N 267.284 3.590 0 40 CHAB C[C@H]1CCCN(c2ccc(Br)cc2)C1 95915749 GBFUJWXQZRMJGP-JTQLQIEISA-N 254.171 3.685 0 40 CHAB CCCCN(C)c1ccc(Br)cc1F 95915670 IZKPQKVPECJPNQ-UHFFFAOYSA-N 260.150 3.825 0 40 CHAB CCC(=O)c1ccc(Br)cc1OC(F)(F)F 390235377 KIRKBHIZYSFLPO-UHFFFAOYSA-N 297.070 3.940 0 40 CHAB OCc1cc(C2CC2)nc2cccc(C(F)(F)F)c12 685937709 XGOGFVURFQMMQI-UHFFFAOYSA-N 267.250 3.623 0 40 CHAB Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC1 98016217 JIFWXTXZVWZVQQ-UHFFFAOYSA-N 272.270 3.642 0 40 CHAB CCN(C(=S)Nc1cccc(OC)c1)c1ccccc1 5499532 GUBZTMVJLCTWLK-UHFFFAOYSA-N 286.400 3.919 0 40 CHAB CCCC[C@H](CC)C(=O)N1CCc2ccccc2C1 5591100 HMJSVLPHLJKVKH-AWEZNQCLSA-N 259.393 3.788 0 40 CHAB COc1ccc(CN2CCCCC[C@@H]2c2ccn(C)n2)cc1 12154145 YPBUIPGXXNOZAN-GOSISDBHSA-N 299.418 3.546 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1 19409648 MGRPSUDKFLUMBQ-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB CC1(C)C[C@@H]([C@@H]2NCCc3c2[nH]c2ccccc32)CCO1 518093 TYMZPQWLYHQVOT-LRDDRELGSA-N 284.403 3.560 0 40 CHAB biogenic Cc1c(-c2ccc(O)cc2)c(=O)oc2ccc(F)cc12 2243261 FFQJZDHNXHPJDU-UHFFFAOYSA-N 270.259 3.613 0 40 CHAB CC(C)Oc1ccc(C(=O)NCCc2ccsc2)cc1 13698186 SZOJDQIKPSOSGX-UHFFFAOYSA-N 289.400 3.508 0 40 CHAB CCC[C@H](C)Oc1ccc2c(c1)c(C=O)c(C)n2C 217771218 KCLIZZGNIDUFAJ-NSHDSACASA-N 259.349 3.867 0 40 CHAB CC[C@@H]1C[C@@H](CNC(=O)Nc2ccc(OC)cc2)C1(C)C 195282 ZXMJABXGGPNMTA-OLZOCXBDSA-N 290.407 3.889 0 40 CHAB Clc1ccc(-c2ccc(Br)cc2)nn1 1437382 AIOVQWFBJVWQHC-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB O=C1C[C@@H]2[C@H](CCC23OCCO3)c2ccc3ccccc3c21 1708671 ZMESGXPQBUTYGV-GDBMZVCRSA-N 294.350 3.663 0 40 CHAB CC(=O)c1ccc(OC(=O)Nc2ccc(C)cc2)cc1 1739422 XKGQJJPITAFUOZ-UHFFFAOYSA-N 269.300 3.809 0 40 CHAB O=C(NC1CCCCC1)OC/C=C/c1ccccc1 1738985 OIGDQZWKPRNDGP-JXMROGBWSA-N 259.349 3.759 0 40 CHAB O=C(O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn12 3881164 ZSINPOVCODQTAV-UHFFFAOYSA-N 294.335 3.914 0 40 CHAB Cc1cc(C)c2nc(Nc3nc(C)cc(C)n3)nc(C)c2c1 273241 HADVUOJWKXFAEY-UHFFFAOYSA-N 293.374 3.706 0 40 CHAB CC1CCN(c2ccccc2NC(=O)c2cccnc2)CC1 6569665 LWCFDQVROMIASK-UHFFFAOYSA-N 295.386 3.570 0 40 CHAB COc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1F 7918724 XLTNSGVQKFQLSJ-UHFFFAOYSA-N 293.725 3.669 0 40 CHAB Cc1noc(C)c1CN(C)[C@@H](C)c1ccccc1F 52074265 RNCCUJOJVXZVBC-NSHDSACASA-N 262.328 3.624 0 40 CHAB c1nc(Oc2ccc3c(c2)CCC3)c2ccsc2n1 2637326 VDXSEVLSYIADBF-UHFFFAOYSA-N 268.341 3.972 0 40 CHAB Cc1nc2cc(NC(=O)CCCc3ccccc3)ccc2[nH]1 60613872 HZNPACWJJFISRZ-UHFFFAOYSA-N 293.370 3.833 0 40 CHAB Fc1ccc2ncnc(NCc3ccccc3F)c2c1 41470890 AXMPRMBGBKEUBO-UHFFFAOYSA-N 271.270 3.520 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@H]2C=C[C@H]1C2 101407175 KXSCLZWHRGQIQQ-OUJBWJOFSA-N 292.176 3.600 0 40 CHAB CC(C)c1nsc(Oc2ccc(Cl)nc2)n1 92686077 PDEZDONNTCPGHE-UHFFFAOYSA-N 255.730 3.502 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)/C=C/c1ccc2c(c1)CCO2 107476815 SPYHDNNZFCMOCO-GSFROLOWSA-N 299.414 3.576 0 40 CHAB CCOC(=O)c1oc2ccc(Br)cc2c1C 3272772 WJZILNCGMYSKQQ-UHFFFAOYSA-N 283.121 3.680 0 40 CHAB Cc1ccc(C)c(C(=O)c2c(C)nc3sccn23)c1 3264321 PNAXPGYGWMLYGP-UHFFFAOYSA-N 270.357 3.552 0 40 CHAB Cc1cc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)no1 12617881 AILKDOKXBZKGQU-GFCCVEGCSA-N 296.326 3.542 0 40 CHAB COc1ccccc1N(C)C(=O)c1cc2c(s1)CCC2 58411482 CUQIZTRPORNCTD-UHFFFAOYSA-N 287.384 3.522 0 40 CHAB O=C(CSCc1ccc(Cl)s1)Nc1ccncc1 48340314 BQONHHVOXFCSDW-UHFFFAOYSA-N 298.820 3.668 0 40 CHAB CC(C)(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 12909315 KYKLZHWGCFBVBI-KRWDZBQOSA-N 295.382 3.926 0 40 CHAB c1ccc(OCCSc2nnc(-c3ccccc3)o2)cc1 4013957 VFSZSWAPBMYLHE-UHFFFAOYSA-N 298.367 3.908 0 40 CHAB Clc1ccc(OCCCn2nnc3ccccc32)cc1 5015522 RZOGLMSFOOUWQN-UHFFFAOYSA-N 287.750 3.554 0 40 CHAB CCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 6497330 BAZMLJDZSRQFMM-UHFFFAOYSA-N 289.350 3.523 0 40 CHAB C[C@H](CNC(=O)Nc1ccccc1)c1ccccc1 9315901 QLZMAEIJBWLQRN-CYBMUJFWSA-N 254.333 3.612 0 40 CHAB Cc1nnc(COc2ccccc2Cc2ccccc2)o1 9503099 KZYBSWZIPHLDOB-UHFFFAOYSA-N 280.327 3.548 0 40 CHAB Cc1nc(NC(=O)c2csc(C)c2C)cc(C2CC2)n1 179515967 GCWLCLSXGGWUDR-UHFFFAOYSA-N 287.388 3.593 0 40 CHAB CO[C@@H](C)c1cccc(NCc2cn3c(C)cccc3n2)c1 75092087 FLLJROVMOBOKAO-AWEZNQCLSA-N 295.386 3.962 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2ccccc2)c1C 20104289 NECLZYOLVYYIQY-INIZCTEOSA-N 297.398 3.729 0 40 CHAB O=C(O)c1cccc(Nc2ccnc3ccc(F)cc23)c1 26507768 RZXVEZGCJJNXMC-UHFFFAOYSA-N 282.274 3.816 0 40 CHAB CC(C)c1ccc(-c2c(Cl)nc(Cl)c(=O)n2C)cc1 62714109 OIDOKCDZNQLDSF-UHFFFAOYSA-N 297.185 3.878 0 40 CHAB CC(=O)OC1=C[C@H](c2ccccc2)c2ccccc21 3848225 DIKACYWYLKODCW-MRXNPFEDSA-N 250.297 3.736 0 40 CHAB biogenic Brc1cccc2nc3c(nc12)[C@@H]1CC[C@H]3C1 217621490 SVFPUONBPBATIL-JGVFFNPUSA-N 275.149 3.757 0 40 CHAB COC(=O)/C=C/c1cccc(OCc2ccccc2C)c1 216894569 QDIRSASJWDURAO-ZHACJKMWSA-N 282.339 3.760 0 40 CHAB O=C(Nc1ccc(S)cc1)Nc1cccc(F)c1 35586122 JVJLVMYTRTVMCB-UHFFFAOYSA-N 262.309 3.758 0 40 CHAB CCSc1ccc([C@H]2CCCN2C(C)C)cn1 72217121 RGVJOHMSTSIWDR-CYBMUJFWSA-N 250.411 3.739 0 40 CHAB Cc1ccsc1[C@@H]1CC(O)=Nc2c1cnn2C(C)C 71283332 HKIGSWUFLAMKDL-SNVBAGLBSA-N 275.377 3.958 0 40 CHAB FC(F)(F)c1ccc(Nc2ccnc(Cl)n2)cc1 40448063 NCJRMIBMSVWSQY-UHFFFAOYSA-N 273.645 3.892 0 40 CHAB COC(=O)C(C)(C)N1c2ccccc2[C@@H](C)CC1(C)C 223206244 UJAAJGOHRJYIEQ-LBPRGKRZSA-N 275.392 3.730 0 40 CHAB CC(C)(C)CN1CC[C@H](c2nnc(-c3ccccc3)o2)C1 49169349 GYFRJEQWIUECKK-AWEZNQCLSA-N 285.391 3.572 0 40 CHAB biogenic,in-vitro Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 40478313 ZZPRDZCHTPGDPQ-UHFFFAOYSA-N 295.317 3.777 0 40 CHAB c1ccc2[nH]c([C@H]3CCN(CC4CCCCC4)C3)nc2c1 49169039 KBWVCFNQVLGZHK-HNNXBMFYSA-N 283.419 3.933 0 40 CHAB biogenic,in-vitro CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccco3)N21 222651262 CWHZFDJQDFZJAF-TUKIKUTGSA-N 299.399 3.654 0 40 CHAB COc1cc(SC)ccc1NC(=O)[C@@H]1CC=CCC1 192712938 UPAAPIOIWOFBGT-LLVKDONJSA-N 277.389 3.712 0 40 CHAB Cc1nnc([C@@H](C)SC[C@H](C)c2ccccc2)o1 96496191 FARNOLHADMSNEK-WDEREUQCSA-N 262.378 3.976 0 40 CHAB CC(C)n1cc(NC(=O)N2CCCC(C)(C)CC2)cn1 98016310 LFNLAGNBFRTGJT-UHFFFAOYSA-N 278.400 3.508 0 40 CHAB Clc1ccc([C@@H](NC[C@H]2CCCCO2)C2CC2)cc1 49900037 VBUGGBZITDYIBV-CVEARBPZSA-N 279.811 3.950 0 40 CHAB COc1cc(C(=O)c2cccc(Cl)c2)ccc1F 95916616 ADUOYUCMIDRPFU-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CCOc1ccc(NC(=O)c2ccccc2Cl)c(N)c1 76859762 GOTNRVJIDSZNES-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB CS[C@@H]1CC[C@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 110641662 NMNCZIMFJFKNIZ-NWDGAFQWSA-N 282.453 3.688 0 40 CHAB Cc1ccc(C(=O)NCCCc2cccc(C)c2)cc1 13675114 KRQGDBLTUMJIAP-UHFFFAOYSA-N 267.372 3.666 0 40 CHAB NN[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl 161779703 UONMCHBCGSNJSD-ZDUSSCGKSA-N 267.159 3.546 0 40 CHAB CC(C)CC(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1 142243836 LSZPHAJUVSDKLI-UHFFFAOYSA-N 287.315 3.629 0 40 CHAB N[C@H](COc1ccccc1C(F)(F)F)c1ccccc1 23071462 QWIZJYQOXWXQGL-CYBMUJFWSA-N 281.277 3.784 0 40 CHAB O=C(c1cc(F)ccc1Cl)C(F)(F)C(F)(F)F 236137028 WHPRJJZXVOCROD-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB O=C(Nc1ccc(Cl)c2ncsc12)c1ccco1 7598817 SNYGZAHCASQQCS-UHFFFAOYSA-N 278.720 3.795 0 40 CHAB O=C(c1ccc(COc2cc(F)ccc2F)cc1)C(F)F 575242891 UOOMXJDRBKUYIO-UHFFFAOYSA-N 298.235 3.992 0 40 CHAB Cc1ccc(CN[C@H](c2ccccc2)c2nccn2C)cc1 30643121 AOGVGAGEVYOQTD-GOSISDBHSA-N 291.398 3.608 0 40 CHAB O=C1Nc2ccccc2/C1=C/c1cccc2[nH]ccc12 40309790 VNYHSSAEVGASDF-UVTDQMKNSA-N 260.296 3.661 0 40 CHAB biogenic Cc1ccc(C)c(NC(=S)NCCC(C)C)c1 2781114 NVVXXNXICKAXNY-UHFFFAOYSA-N 250.411 3.636 0 40 CHAB Cc1cc(C)c(NC(=O)CC[C@H]2CCCO2)c(C)c1 31872667 KOUKILMDLOFQES-CQSZACIVSA-N 261.365 3.510 0 40 CHAB O=C(c1cccc(CN2CC=CC2)c1)C1CCCCC1 2515427 YRORKLPPYMPZIX-UHFFFAOYSA-N 269.388 3.821 0 40 CHAB Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2550025 BIVQEHDNRFPDON-UHFFFAOYSA-N 280.249 3.540 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccccc1C 335562 KJYGTXJOQAKXBF-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB O=C(CC[C@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 32815662 QHFMREPBYMPBSV-SNVBAGLBSA-N 288.174 3.891 0 40 CHAB O=C(CC1CCCCC1)NCc1cc(-c2ccccc2)no1 32927968 JATKISXNEZNNTD-UHFFFAOYSA-N 298.386 3.928 0 40 CHAB CCCc1cc(C(=O)N2CCC[C@@H]2c2ccccc2C)no1 21791025 QWMVHZJJJDJBDO-QGZVFWFLSA-N 298.386 3.913 0 40 CHAB c1ccc(CSc2ncn(Cc3ccccc3)n2)cc1 2783991 BNMZLAFQIMVZRA-UHFFFAOYSA-N 281.384 3.619 0 40 CHAB O=C(Nc1ccccc1)N1CCC[C@@H]1Cc1ccccc1 57509365 KNRHTEIAYIBELR-QGZVFWFLSA-N 280.371 3.926 0 40 CHAB O=C(CCc1ccsc1)Nc1cccc(-c2ccn[nH]2)c1 24885774 LMOZXEXRGMOBSZ-UHFFFAOYSA-N 297.383 3.710 0 40 CHAB CC(C)(CNCc1cccs1)c1ccc2c(c1)OCO2 58476254 BHTVGGYXLKHVAX-UHFFFAOYSA-N 289.400 3.544 0 40 CHAB Cc1ccc(C)c(NC(=O)Nc2ncc(C)s2)c1 28228078 VSYDECGHGACVOK-UHFFFAOYSA-N 261.350 3.712 0 40 CHAB CCONC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 48345847 NCGPYHQEJYFQQZ-ZETCQYMHSA-N 294.203 3.542 0 40 CHAB CC(C)NC(=O)Nc1ccc(CNCc2ccccc2)cc1 48784718 YZICICNHLYLDOR-UHFFFAOYSA-N 297.402 3.506 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccncc1 48954680 KNZZOKKKYNSMSB-VHDGCEQUSA-N 275.396 3.664 0 40 CHAB N=C(COc1ccc(Cl)cc1)NC1CCCCC1 4015683 HBOXGRZUHSCGND-UHFFFAOYSA-N 266.772 3.618 0 40 CHAB CCc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 6509852 FHDPUINKEUMDBV-UHFFFAOYSA-N 286.400 3.837 0 40 CHAB CCCCOc1ccc(C(=O)Nc2ccccn2)cc1 4608389 WVTTWAANQQZZTP-UHFFFAOYSA-N 270.332 3.513 0 40 CHAB CNCCO[C@]1(c2ccccc2C)CCCC[C@H]1C 4655647 PGWSTYAZLHDNFQ-NVXWUHKLSA-N 261.409 3.636 0 40 CHAB CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1 5558831 QIZDAQGDNGATPS-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB Cc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 6811230 UAKWVFSPOOWVIP-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB CC(=O)c1ccc(NC(=O)[C@@H](C)SC2CCCC2)cc1 5895726 FIYNVJZQZSKGND-GFCCVEGCSA-N 291.416 3.892 0 40 CHAB COc1ccc2cc(C(=O)Nc3ccccc3O)ccc2c1 9390146 IEIXCSUICBVOSO-UHFFFAOYSA-N 293.322 3.806 0 40 CHAB CCc1cccc(Oc2ncc(Cl)cc2C(=O)O)c1 72323934 AJPRBRYNUNVGNF-UHFFFAOYSA-N 277.707 3.788 0 40 CHAB CC[C@H]1CCCCCN1C(=O)c1ccc2[nH]c(C)nc2c1 95468197 ZFFHIFZIFBJTLB-AWEZNQCLSA-N 285.391 3.666 0 40 CHAB CCCCC(=O)Nc1nc(-c2ccc(C)cc2)ns1 27988978 PDKJVNNJHZKIQI-UHFFFAOYSA-N 275.377 3.642 0 40 CHAB Cc1noc(C)c1C[C@@H](C)N[C@H](C)CSC(C)(C)C 95968229 PVRGDFXUYUSKPU-GHMZBOCLSA-N 284.469 3.732 0 40 CHAB O=C(c1ccc(OCc2ccccc2)cc1)C(F)F 36431433 QNKRCRLAIAQQQK-UHFFFAOYSA-N 262.255 3.713 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)N2CCC(C)CC2)cc1 31851933 OMXGTKFQLLHQEY-AWEZNQCLSA-N 277.433 3.734 0 40 CHAB CC[C@@H](C)Nc1ccc([C@H]2CCCN2C(C)C)cn1 72213505 OBRGPSBTKPREKR-UKRRQHHQSA-N 261.413 3.837 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)CCc1ccccc1 32781383 LEXAQBQFMXCUPJ-ZDUSSCGKSA-N 285.412 3.827 0 40 CHAB Cc1ccnc([C@H]2CCCCN2C(=O)c2ccccc2)c1 72211222 OBFAIJKWHHFJES-QGZVFWFLSA-N 280.371 3.757 0 40 CHAB CCN(CC(C)C)C(=O)c1csc(-c2cccs2)n1 32800764 JZVPQTGNMDBKHL-UHFFFAOYSA-N 294.445 3.990 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)C1CCCCC1 216333305 PMVBTPOQISHLSL-KRWDZBQOSA-N 289.419 3.944 0 40 CHAB Cc1cccc(C)c1C[C@H](OCc1ccccc1)C(=O)O 225032942 RJMIUZGRJGBBKI-KRWDZBQOSA-N 284.355 3.516 0 40 CHAB COC(=O)c1ccc(OCc2ccccc2)c(Cl)c1 44199579 UAIHIALOAKCGMZ-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB CC[C@@H](C)Oc1cccc([C@@H](C)NCCCOC)c1 225166959 BSSLLKWLYFGZDA-ZIAGYGMSSA-N 265.397 3.551 0 40 CHAB Oc1ccc(CN2CCCCCC2)cc1Br 132472402 YGIBPAVWWHKOPA-UHFFFAOYSA-N 284.197 3.531 0 40 CHAB COc1ccc2cc(Br)cc3c2c1CC[C@H]3O 85398468 ZMKXJUVCVNMRDE-GFCCVEGCSA-N 293.160 3.591 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)C(C)C 225218160 CALHOCRMTCTBBT-CABCVRRESA-N 277.408 3.622 0 40 CHAB O[C@@H]1c2ccccc2[C@@H]2[C@H](c3ccccc31)C2(F)F 146558703 JQQYFHVXFOMLGI-QDMKHBRRSA-N 258.267 3.598 0 40 CHAB CCC(=O)c1ccc(OC)c(OCCC(C)C)c1 95739971 SEJFJOMEXNUACY-UHFFFAOYSA-N 250.338 3.713 0 40 CHAB CC[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccncc1 96478350 SUYUUTMRVMSOHG-DLBZAZTESA-N 270.351 3.949 0 40 CHAB C[C@@]12CCC[C@]1(O)[C@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@@H]1CC2 253617290 HSOALUOHWZYSOE-QSMSVPEVSA-N 290.447 3.815 0 40 CHAB COc1cccc(OC)c1C(=O)c1cccc(Cl)c1 95916613 DYFKGNYXBANEDC-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB CC(C)C[C@@H](N)C1(c2cc(F)ccc2F)CCC1 1772715005 YJIXKTLYBMZLHT-CQSZACIVSA-N 253.336 3.760 0 40 CHAB N#C/C(=C\c1cccs1)C(=O)Nc1cccc(Cl)c1 5756977 RYNVOGSXNUJSCW-JXMROGBWSA-N 288.759 3.947 0 40 CHAB O=C1S/C(=C/c2ccsc2)C(=O)N1c1ccccc1 5774274 NCGXZEUFOXJTFH-XYOKQWHBSA-N 287.365 3.989 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(N)cc4CC[C@H]3[C@@H]1CCC2=O 12647929 UNBVZLXCQDVEGX-CBZIJGRNSA-N 269.388 3.694 0 40 CHAB C[C@@H](O)c1cccc(NC(=S)Nc2ccccc2)c1 16576760 SOBMLKPBPMXDSB-LLVKDONJSA-N 272.373 3.549 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(N)c2)c1 19261103 UMGMGSKLNALXIJ-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1 13186950 QUVUQVQJVQEHFG-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CCOc1ccc(CNCCc2ccccc2)cc1OCC 8324884 ISLIOYHPQPEZKC-UHFFFAOYSA-N 299.414 3.816 0 40 CHAB CCC[C@@H](C)NC(=O)CS[C@@H](C)c1ccccc1 33047591 CYKCUWHRZVGRLR-OLZOCXBDSA-N 265.422 3.786 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2cc3cc(F)ccc3[nH]2)o1 40058951 MFMHPEFEPSQNBU-JTQLQIEISA-N 286.306 3.699 0 40 CHAB Cc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11128791 YTBCENMRBACPID-QGZVFWFLSA-N 298.361 3.566 0 40 CHAB O=C(Oc1ccc(F)cc1)c1cc(-c2ccccc2)on1 15669783 PSRFJOWFNVTPDA-UHFFFAOYSA-N 283.258 3.700 0 40 CHAB O=C(Cc1ccccc1)c1ccc2c(c1)CCCC2 1571097 GFHMEZCJYYOKQE-UHFFFAOYSA-N 250.341 3.991 0 40 CHAB O=C(O)C(Cl)=C1C(Cl)=C(Cl)C(Cl)=C1Cl 1621222 QKLWBEJUNJMQDO-UHFFFAOYSA-N 294.348 3.956 0 40 CHAB CCc1ccc(C(=O)CCCCCCC(=O)O)cc1 2579941 NMOPEAQEGUGBOL-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB C[C@@H]1C(O)[C@H](C)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 4119584 GGCLDJYYOISOSI-WADNOCCSSA-N 281.399 3.705 0 40 CHAB CCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1 4169065 BHOJDWFNIMMUMM-UHFFFAOYSA-N 281.315 3.587 0 40 CHAB CCCCC(=O)N(C)c1nnc(-c2cccc(C)c2)s1 4982477 URNSRRFLQLETJF-UHFFFAOYSA-N 289.404 3.667 0 40 CHAB COc1ccccc1C(=S)NCc1ccccc1Cl 9188180 CVXMVVZCFXAKSB-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB COc1ccc([C@H](CC(=O)N2CCCCC2)C(C)C)cc1 553247 VRRIARSSIAAHMT-QGZVFWFLSA-N 289.419 3.837 0 40 CHAB CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1ccccc1 20289660 WSOXSKOIHHQZNE-AWEZNQCLSA-N 283.371 3.965 0 40 CHAB Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 24960327 NTSGRQRROOWUQF-UHFFFAOYSA-N 295.317 3.777 0 40 CHAB CCOC(=O)c1cnc2c(C(C)C)cccc2c1S 62719793 UGECDJBTAANZRA-UHFFFAOYSA-N 275.373 3.824 0 40 CHAB CC(C)[C@@H](NC(=O)c1ccc2cn[nH]c2c1)c1cccs1 25060051 KCNIAMFGSVCWFY-OAHLLOKOSA-N 299.399 3.752 0 40 CHAB O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 34939266 JJVOPJNIGSYPNV-ZJUUUORDSA-N 278.739 3.575 0 40 CHAB in-vitro COc1cccc(C[C@H]2CCCc3ccccc3[C@H]2O)c1 43659848 IXZRDQTZBDQQAZ-APWZRJJASA-N 282.383 3.924 0 40 CHAB Cc1cccc(NC(=O)c2cccc3ncccc23)c1 12687309 GEFAJZFTPPLZJO-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB O[C@@H](CNCc1ccc(C(F)(F)F)cc1)c1ccccc1 35111611 NZWXINLHBKTCLN-HNNXBMFYSA-N 295.304 3.529 0 40 CHAB Cc1ccccc1NC(=O)[C@H]1Cc2ccccc2S1 12618387 YYIIAPWOEFURCW-OAHLLOKOSA-N 269.369 3.651 0 40 CHAB CCCCOc1cc(C)nc(NCc2ccccc2)n1 2312274 LHIDFIJRJVRMKH-UHFFFAOYSA-N 271.364 3.576 0 40 CHAB Fc1ccccc1CSc1nc(-c2ccccc2)n[nH]1 3550376 XTVJMFHVKKUKOY-UHFFFAOYSA-N 285.347 3.903 0 40 CHAB CC(C)c1cc(Br)c2nc(N)sc2c1 3676505 PKOZGVQZARRECT-UHFFFAOYSA-N 271.183 3.764 0 40 CHAB Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1 4301424 AEUVACXSTSXSIX-UHFFFAOYSA-N 281.359 3.921 0 40 CHAB O=CN[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl 4677280 MOIYQLWZXARSCF-AWEZNQCLSA-N 280.154 3.829 0 40 CHAB O=C1C[C@H](c2ccc(Cl)cc2)c2ccc(O)cc2N1 66089338 IFKZWMMWLRQPAW-CYBMUJFWSA-N 273.719 3.520 0 40 CHAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccccc1OC 6788933 YDNOMWRDDYVSIE-PKNBQFBNSA-N 297.354 3.664 0 40 CHAB Cc1ccccc1-n1c(N=[N+]=[N-])nc(Cl)c1C=O 69949612 AWROXUFJFHELQS-UHFFFAOYSA-N 261.672 3.588 0 40 CHAB O=C(c1ccc2c3c(cccc13)CC2)N1CCCCC1 8728704 NLECWHPYLFTFIU-UHFFFAOYSA-N 265.356 3.565 0 40 CHAB O=C(Nc1ccn(-c2ccccc2)n1)NC1CCCCCC1 71901665 NMIYPJHUQDKSHQ-UHFFFAOYSA-N 298.390 3.717 0 40 CHAB CCC[C@H](C)NC(=O)NCCc1c[nH]c2cc(C)ccc12 89949471 KXOAIBHJQUHLQZ-ZDUSSCGKSA-N 287.407 3.507 0 40 CHAB CCC[C@H](C)C(=O)Nc1cc(C)nc2ccccc12 96997686 RZTKRFNQDZAKRL-NSHDSACASA-N 256.349 3.918 0 40 CHAB O=C1Nc2ccccc2/C1=C/c1ccc(O)c(Cl)c1 67005815 JEBAVFLNWSKZNE-XFFZJAGNSA-N 271.703 3.538 0 40 CHAB C[C@H](c1cccnc1)N(C)Cc1ncc(-c2ccccc2)o1 95977292 XCRLVWZOXUMFIH-CQSZACIVSA-N 293.370 3.930 0 40 CHAB Fc1ccc(-n2cc3c(n2)-c2ccccc2CC3)cc1 26897132 CBFGHTCOWADJAJ-UHFFFAOYSA-N 264.303 3.777 0 40 CHAB CC(C)c1nc(Cl)nn1-c1ccc(Cl)cc1 22125691 DGNUMWIKZVJCKQ-UHFFFAOYSA-N 256.136 3.698 0 40 CHAB Cc1cccc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n1 25340957 IJFOKQMFDMOIED-MRXNPFEDSA-N 286.350 3.656 0 40 CHAB CCc1noc(C)c1C(=O)N1CCC(c2ccccc2)CC1 32366652 QAAHGUWGVMEUCB-UHFFFAOYSA-N 298.386 3.565 0 40 CHAB Cc1cccc(-c2nnc(-c3cnc(C(C)C)nc3C)o2)c1 216603044 SZFWLKJQMFRDFG-UHFFFAOYSA-N 294.358 3.934 0 40 CHAB C[C@H]1c2cc(Cl)ccc2O[C@@H]2c3ccccc3C(=O)N12 35324755 BTRYEPPEYIAAAB-XXFAHNHDSA-N 285.730 3.948 0 40 CHAB O=C(CC1CCCCC1)NCc1cc(-c2ccco2)on1 38750376 VDKKZVMKVCXUFZ-UHFFFAOYSA-N 288.347 3.521 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(F)c1 44843149 DPPHUZANXFKOQK-INIZCTEOSA-N 287.334 3.930 0 40 CHAB CCCN1CC=C(c2nc3cc(C)cc(C)c3o2)CC1 73636278 ZJFSLTUFSPBRTD-UHFFFAOYSA-N 270.376 3.944 0 40 CHAB O=C(NCc1ccc(-c2ccco2)nc1)Nc1cccs1 225753069 FQIDERZHEIXKOH-UHFFFAOYSA-N 299.355 3.725 0 40 CHAB CC1=Nc2sc3c(c2[C@@H](SC(F)F)N1)CCC3 96305911 GUGJFEPAKUBXJT-SNVBAGLBSA-N 274.361 3.844 0 40 CHAB CN[C@@H](C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 94992696 LNOHXBKDCCQNJS-NSHDSACASA-N 291.435 3.778 0 40 CHAB Cc1cccc(OC(F)F)c1NC(=O)NCc1ccco1 390833274 FLODQFLTIFMCQB-UHFFFAOYSA-N 296.273 3.511 0 40 CHAB CSc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 47464556 XQPFYRDPRYTVBJ-TXEJJXNPSA-N 263.406 3.527 0 40 CHAB C[C@@H](CCc1ccccc1)NCCn1cnc2ccccc21 89895769 YEEPORFAJAVSCJ-INIZCTEOSA-N 293.414 3.647 0 40 CHAB O=C(c1ccc2c(c1)OCCCO2)c1ccccc1Cl 243919 GIMVFKAIWNRTJH-UHFFFAOYSA-N 288.730 3.732 0 40 CHAB Clc1cccc(-c2nc3c4ccccc4ncn3n2)c1 5013105 YQQBGLSXFYXNCA-UHFFFAOYSA-N 280.718 3.598 0 40 CHAB O=C(Nc1cccc2ccccc12)OCc1cccnc1 5800652 ZPTJTQMJTMTRGJ-UHFFFAOYSA-N 278.311 3.984 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 12858255 BORSEOHEBFOTKJ-UHFFFAOYSA-N 285.391 3.587 0 40 CHAB COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1 12952019 WKPXOGZQKUEJFF-GDNBJRDFSA-N 283.352 3.781 0 40 CHAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 15393498 BCBJNRHIBSZJLW-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB CCC[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)O 15418152 QJPYUIUVISFHBC-JTQLQIEISA-N 262.136 3.659 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(F)ccc1F 16524726 CNKOOLONHYCNGF-MRXNPFEDSA-N 287.309 3.772 0 40 CHAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(F)cc1 7304244 OBZNEMIIUPJWRE-SRXBQZRASA-N 299.345 3.725 0 40 CHAB Oc1ccc([C@@H](NCc2ccco2)c2ccccc2)cc1 21964530 HZXDNLZZANZGAF-SFHVURJKSA-N 279.339 3.864 0 40 CHAB in-vitro CC(=O)c1ccc(C(=O)Nc2ccccc2C)s1 7069958 NRCJTASHNMBOGA-UHFFFAOYSA-N 259.330 3.511 0 40 CHAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(C)c2)cc1 50314 WYBXOIHLWLGCOX-UHFFFAOYSA-N 298.342 3.816 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)C1(c2ccc(F)cc2)CC1 21695553 SMDWHGKISBGVLY-UHFFFAOYSA-N 291.272 3.774 0 40 CHAB COC(=O)c1cc(C(C)(C)C)[o+]c2cc(O)ccc12 41988 PFEPGFJKZHZVBZ-UHFFFAOYSA-O 261.297 3.504 0 40 CHAB CN1C(=O)C[C@@H](Sc2ccccc2)c2ccccc21 1869986 IFCVJGNTWZXCDA-OAHLLOKOSA-N 269.369 3.887 0 40 CHAB Cc1ccc(C)c(NC(=O)CN2c3ccccc3C[C@H]2C)c1 3536957 UTANRWVCMHGBCU-OAHLLOKOSA-N 294.398 3.693 0 40 CHAB O=C(Oc1ccc2ccc(O)cc2c1)c1ccccc1F 365190 IDYCNUCKQASJOD-UHFFFAOYSA-N 282.270 3.904 0 40 CHAB CCOc1ccccc1NC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100234611 AIWJTJUBCUJDJF-YRGRVCCFSA-N 290.432 3.560 0 40 CHAB O=c1[nH]c2c(s1)C1(CCCC1)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101262435 KHMQOKBUWRJFJO-DBIOUOCHSA-N 293.457 3.769 0 40 CHAB COc1ccc(NC(=O)CCc2ccccc2Cl)cc1 10457586 GUEGFLZZCCHTBI-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB C[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1 22174899 BKSGZJKHMCPCQK-VIFPVBQESA-N 277.418 3.966 0 40 CHAB Cc1c(Cl)ccc2sc(NC[C@H]3CCCO3)nc12 42379420 COMYMLWHTZXCSC-SECBINFHSA-N 282.796 3.849 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccc(F)c(Cl)c1F 1404431 UDVVYWWHTKMMAM-ZZXKWVIFSA-N 283.661 3.863 0 40 CHAB Cc1cccc(C)c1OCCNC(=O)/C=C/c1ccccc1 20418318 IHQGIHHNOUCPNI-VAWYXSNFSA-N 295.382 3.512 0 40 CHAB C[C@@H](NC(=O)/C=C/c1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 108051433 NHTFWWAFMBTKOR-LMTPBXOPSA-N 275.417 3.702 0 40 CHAB CCC(CC)c1nnc(NC(=O)c2ccoc2C)s1 12756409 WMTGXWQEQZVTLZ-UHFFFAOYSA-N 279.365 3.595 0 40 CHAB Cc1cc(C)cc(Nc2nnc(-c3ccccc3)c(O)n2)c1 16777465 SXDHEBRQDIQQQR-UHFFFAOYSA-N 292.342 3.605 0 40 CHAB CCc1nc(CN(C)C(=O)Nc2cccc(F)c2)cs1 49029871 XZIALMBYXJFVHV-UHFFFAOYSA-N 293.367 3.509 0 40 CHAB CCc1ccc(NC(=O)N[C@H](C)c2ccccn2)cc1 13331902 NRPDBRZQJWZYLE-GFCCVEGCSA-N 269.348 3.527 0 40 CHAB CCSc1nnc(Nc2ccc(F)cc2)s1 8354729 IYGHJRHLQUJLQT-UHFFFAOYSA-N 255.343 3.533 0 40 CHAB CC(C)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 6159684 CKVHBEZZODTBPP-UHFFFAOYSA-N 294.445 3.612 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(F)cc2)[C@@H]1C 4564160 QDOIWNUTXCSQRE-LALPHHSUSA-N 295.423 3.859 0 40 CHAB CC(C)C(=O)Nc1ccc(Br)c2cccnc12 27930428 PDOIEXSHCLDLIM-UHFFFAOYSA-N 293.164 3.592 0 40 CHAB O=C(C[C@@H]1C(=O)Nc2ccccc21)c1cc2ccccc2o1 8990577 KNTZTJBDAGCIFZ-ZDUSSCGKSA-N 291.306 3.742 0 40 CHAB C[C@H](NCc1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 96500132 UJIQJUPLJAYXKB-KBPBESRZSA-N 287.359 3.587 0 40 CHAB C(=C\c1nn2c(-c3ccccc3)nnc2s1)\c1ccco1 96026188 VFNYPCFCYTWFBV-HJWRWDBZSA-N 294.339 3.616 0 40 CHAB CCC(=O)c1ccc(OCc2cccc(OC)c2)cc1 19806309 AZEQZDBHDJRAAZ-UHFFFAOYSA-N 270.328 3.867 0 40 CHAB O=C(Cc1cccnc1)N(c1cccc(F)c1)C1CCCC1 95411518 AFAIJAYETUYMEE-UHFFFAOYSA-N 298.361 3.739 0 40 CHAB Clc1ncccc1COc1ccc2[nH]ccc2c1 95453852 LPPXWANBDDEZPK-UHFFFAOYSA-N 258.708 3.795 0 40 CHAB Cc1cc(C(=O)N2CCCc3cc(Cl)cc(C)c32)on1 78773498 ROARDODRYVMYLM-UHFFFAOYSA-N 290.750 3.538 0 40 CHAB COc1ccccc1[C@H](C)S[C@H](C)c1nnc(C)o1 79010735 NIQYBBAGAAUXSB-VHSXEESVSA-N 278.377 3.942 0 40 CHAB CCOc1ccc2ccccc2c1I 34619832 BYLHOMBAODDWAV-UHFFFAOYSA-N 298.123 3.843 0 40 CHAB COc1ccc(C(=O)CCC2CCCC2)cc1OC 37359926 DRICMWPGOQHMJX-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB O=C(c1ccoc1)N1CCS[C@H](c2cccs2)CC1 219508090 DUVUHVLVIUXPAN-ZDUSSCGKSA-N 293.413 3.662 0 40 CHAB CC[C@H](O)c1cnc(N2CCc3ccccc32)cc1C 72223945 SBILEGRDEDXRER-INIZCTEOSA-N 268.360 3.528 0 40 CHAB CCOC(C)(OCC)c1cccc(Br)c1 80052613 XKQAVDMOLWVSRW-UHFFFAOYSA-N 273.170 3.695 0 40 CHAB CCOc1ccc(C(=O)NCC2CCCCC2)cc1C 225203916 LTFMVGUJRLAJKW-UHFFFAOYSA-N 275.392 3.704 0 40 CHAB COc1nc(C(F)(F)F)ccc1-c1ccc(F)cc1 47204815 KTIXYKCNXBZODN-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)C(C)C)cc1 225230127 COZWPUVUBSFFDW-BBRMVZONSA-N 277.408 3.567 0 40 CHAB O=C(c1cnc2ccc(Cl)cn12)C(Cl)(Cl)Cl 95836561 CBKQLDHZOIXETK-UHFFFAOYSA-N 297.956 3.541 0 40 CHAB Cc1nc2nc(Cl)c(Br)cc2c(C)c1C 95533177 UBMMEAXGUBHERZ-UHFFFAOYSA-N 285.572 3.971 0 40 CHAB C[C@H](c1cccc(Cl)c1)N1CCN2CCCC[C@@H]2C1 93952504 OXRRHZUMZJTZFD-CZUORRHYSA-N 278.827 3.571 0 40 CHAB Cc1ccccc1/C=C1\N=C(c2ccccc2C)OC1=O 315638 OHDGENFZDYUWQD-WJDWOHSUSA-N 277.323 3.648 0 40 CHAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 5275868 VOXZDWNPVJITMN-DFBDCSAJSA-N 272.388 3.609 0 40 CHAB Cc1cccc(C(=O)N(Cc2ccco2)c2ccccn2)c1 15669836 STLFBDWZGJLJSZ-UHFFFAOYSA-N 292.338 3.830 0 40 CHAB O[C@@H]1CCCc2c(OCCCOc3ccccc3)cccc21 32741500 ZFZUBFKJXMVYAY-GOSISDBHSA-N 298.382 3.904 0 40 CHAB CC1CCN(C(=O)Nc2nc3ccccc3s2)CC1 9961328 HROBFXYCLOILTQ-UHFFFAOYSA-N 275.377 3.560 0 40 CHAB Cc1cc(C)c(NC(=O)C2[C@H]3[C@@H]4CC[C@H](C4)[C@@H]23)c(C)c1 100079485 DUIWOWWTTVTZGJ-YFVFXCHESA-N 269.388 3.842 0 40 CHAB CC1(c2ccccc2NC(=O)Cc2ccccc2)CC1 12858295 PSSFXSMRTGTFEC-UHFFFAOYSA-N 265.356 3.919 0 40 CHAB CCCn1c(C)c(C=O)c2cc(OC(C)C)ccc21 217774660 FWEQAGPEDFRZJE-UHFFFAOYSA-N 259.349 3.959 0 40 CHAB Clc1ccc(SCc2cn3cccnc3n2)cc1 67293 CZXPVQYPVHIIPS-UHFFFAOYSA-N 275.764 3.675 0 40 CHAB O=C(Nc1ccccc1)c1cc2cc(Cl)ccc2oc1=O 180533 BLGKBQIVWYBPEH-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB Cc1cccc2c(-c3ccc(Cl)c(C(N)=O)c3)c[nH]c12 67727440 NIRYCOLHXIPVSM-UHFFFAOYSA-N 284.746 3.896 0 40 CHAB COc1ccc2c(c1)CS[C@H](c1ccccc1)[C@@H]2O 1562476 KKWNEWBJLXSFCB-HZPDHXFCSA-N 272.369 3.717 0 40 CHAB CCOC(=O)c1ccc2nc(C)c3cc(C)oc3c2c1 268964 KRAAGPFSKIYXJA-UHFFFAOYSA-N 269.300 3.775 0 40 CHAB Cc1ccc(NC(=S)N2CCn3cccc3[C@H]2C)cc1C 7581991 RUKMUKVQZVNZSK-CQSZACIVSA-N 299.443 3.879 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 7593491 JNETWIKAVHEILJ-POYBYMJQSA-N 275.682 3.536 0 40 CHAB CN(C)CCCNCc1ccc(-c2ccc(Cl)cc2)o1 8373879 BDQWQDXDLYECDA-UHFFFAOYSA-N 292.810 3.641 0 40 CHAB CCCOc1ccc(Cl)cc1C(=O)C(F)(F)F 100797893 XUQLRRWPTFJVDW-UHFFFAOYSA-N 266.646 3.874 0 40 CHAB Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NC(C)C)cc1 89632116 IUNBWEVDFHCTOC-GOEBONIOSA-N 274.408 3.886 0 40 CHAB CCCCN(CCCC)C(=O)c1ccnc(Cl)c1 20369940 STMUQRJYAHDFEP-UHFFFAOYSA-N 268.788 3.777 0 40 CHAB Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N 57340459 RGVBZYHGCOCEAR-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1C 20025540 KRHKECNBEJRTRX-KRWDZBQOSA-N 295.382 3.811 0 40 CHAB Clc1ccc(-c2ccnc(Oc3cccnc3)n2)cc1 1402091 LBVJFAWXQLAENW-UHFFFAOYSA-N 283.718 3.984 0 40 CHAB Cc1cc(C)n(-c2nc(-c3ccccc3)cs2)n1 1406951 ZYLGDSAPSSMRRT-UHFFFAOYSA-N 255.346 3.613 0 40 CHAB COc1cc(NC(=O)CCc2ccccc2F)ccc1C 1426291 BRVJWEGBDHFIQO-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB Cc1cc(C(=O)Nc2ccc(N3CCCCCC3)cc2)on1 12551994 IPDXLZVNDGULTR-UHFFFAOYSA-N 299.374 3.616 0 40 CHAB CCc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 3278380 QBKBBKGPTPHIEA-UHFFFAOYSA-N 299.345 3.990 0 40 CHAB CN(C)CCCCCN(C)Cc1cc2ccccc2o1 1855450 IKJXQBZMUZNJBR-UHFFFAOYSA-N 274.408 3.597 0 40 CHAB biogenic CC(C)C[C@H](C)NC(=O)COc1cccc2ccccc12 2065838 CIQBVVHRYKFLBR-AWEZNQCLSA-N 285.387 3.769 0 40 CHAB CCCCNC(=O)c1cc(Cl)c(OCCC)c(OC)c1 44817852 VKBJVJNGVZTNLX-UHFFFAOYSA-N 299.798 3.667 0 40 CHAB CC(C)[C@@H](CNC(=O)/C=C/c1cccnc1)c1ccccc1 27632295 SNISPYIWSDPXBL-DOJUMQAQSA-N 294.398 3.651 0 40 CHAB C[C@H]1Cc2ccc(CO)c(/C=C/C=C/C(=O)O)c2[C@H](C)C1 13372825 XVNDJROXVPBPBY-KSNBDJSYSA-N 286.371 3.519 0 40 CHAB CC(=O)Nc1sc2ccccc2c(=O)c1-c1ccccc1 5031001 NODGDZSKDMRJCP-UHFFFAOYSA-N 295.363 3.887 0 40 CHAB Cc1ccc(C)c(-c2c(C)ccc(C)c2C(=O)O)c1C(=O)O 4419598 JYPCQCJSOFGSSM-UHFFFAOYSA-N 298.338 3.984 0 40 CHAB Cc1ccc(C(=O)c2oc3ccccc3c2N)cc1F 8550864 ANKDRSYOFZBJGN-UHFFFAOYSA-N 269.275 3.694 0 40 CHAB Cc1ccccc1-c1nnc(-c2cnc3onc(C)c3c2)o1 69659436 HGQVOTDKLXXZCA-UHFFFAOYSA-N 292.298 3.557 0 40 CHAB CC(C)c1ccccc1NC(=S)NCc1ccco1 5934909 ZJTRYYLBABHIHD-UHFFFAOYSA-N 274.389 3.890 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccncc2)c1 69848740 CRGYPUAGCUURNI-CQSZACIVSA-N 296.370 3.889 0 40 CHAB COCCOc1ccc(CNc2ccc(C)c(C)c2)cc1 19738500 BYFNCAQBTWVZFN-UHFFFAOYSA-N 285.387 3.941 0 40 CHAB CCc1ccc(NCCc2n[nH]c(CC(C)(C)C)n2)cc1 62719409 GWEXTBGMZSEGBR-UHFFFAOYSA-N 286.423 3.610 0 40 CHAB Cc1ccc2nccc(Oc3cccc(N)c3)c2c1 64875311 CGIMVALKZGZOKL-UHFFFAOYSA-N 250.301 3.918 0 40 CHAB Cc1nc(N)sc1Cc1ccccc1C(F)(F)F 35250909 IYMAVRAYOGIZII-UHFFFAOYSA-N 272.295 3.643 0 40 CHAB CN1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 72217346 CJOBJSYONVQAGN-LBPRGKRZSA-N 250.411 3.739 0 40 CHAB COc1ccc(-c2nc3cc(Cl)cnc3o2)cc1OC 74328611 PGZAIBNPOYCCNM-UHFFFAOYSA-N 290.706 3.560 0 40 CHAB COCc1cccc(NC(=O)Cc2cc(C)ccc2C)c1 76130079 YCSZGTWTDRMWKT-UHFFFAOYSA-N 283.371 3.631 0 40 CHAB CCCCN1CCCC[C@H]1c1ccc(N(C)C)nc1C 72218765 CZBAUVHJUSIXJW-INIZCTEOSA-N 275.440 3.783 0 40 CHAB Cc1cccc(-c2cccc([C@H]3CCCN(C)C3)n2)c1 72348548 QTJOGVGUNQJIRW-INIZCTEOSA-N 266.388 3.866 0 40 CHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccccc1F 45954197 SXTXKNSFJDSIII-DOMZBBRYSA-N 294.370 3.543 0 40 CHAB CCc1cc(N)cc(C)c1NC(=O)c1ccccc1F 45888768 DVRRXCQWDCZTQS-UHFFFAOYSA-N 272.323 3.531 0 40 CHAB CCCOc1ccc2c(c1)c(CN)c(C)n2C(C)C 223756829 MLHQOTFVXARWIY-UHFFFAOYSA-N 260.381 3.778 0 40 CHAB CSc1cccc(C(=O)c2ccc(N(C)C)cc2)c1 95917236 WABBGBAOWNKAOF-UHFFFAOYSA-N 271.385 3.706 0 40 CHAB Cc1c(F)cccc1NC(=O)c1cc(F)cc(F)c1 98072789 YGWLUEAKLDSJGK-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB CC[C@H](C)n1nccc1CNc1nn(C(C)C)cc1C 256054043 USVLRZYJSFQLCO-ZDUSSCGKSA-N 275.400 3.552 0 40 CHAB CC[C@@H](C)n1nccc1CNc1cn(C(C)C)nc1C 256053568 RZEGRBLYTULOPN-GFCCVEGCSA-N 275.400 3.552 0 40 CHAB CCCN(c1cccc2ccccc12)[C@H](CC)C(=O)O 260677381 BLGKLDHOEDKTET-OAHLLOKOSA-N 271.360 3.919 0 40 CHAB CCCC(C)(C)NC(=O)[C@@H]1CCCc2ccccc21 50497803 RVRDXAGCGOVCIH-OAHLLOKOSA-N 259.393 3.801 0 40 CHAB CCOc1ccc(NC(=O)NCc2sccc2C)cc1 43145013 CNOMZMGODMZVCD-UHFFFAOYSA-N 290.388 3.777 0 40 CHAB Cc1cccc(NC(=O)N(CC(C)C)C2CC2)c1C 48364976 KIXPUISZIMSOJP-UHFFFAOYSA-N 260.381 3.956 0 40 CHAB Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cl)nc2)s1 78494560 RRRPTAKQUANTLD-QWRGUYRKSA-N 292.791 3.847 0 40 CHAB FC(F)(F)c1nc2c(Cl)c(Br)ccc2[nH]1 118889817 PWMWAVGYBSGAAL-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB O=C(/C=C/c1ccco1)NCc1ccc(Cl)cc1Cl 3302417 CDSPWCDVUFPEOJ-AATRIKPKSA-N 296.153 3.916 0 40 CHAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cc1 13596366 VIGNRYNPFGMKMP-TZIYXEQSSA-N 293.366 3.686 0 40 CHAB O=c1cc(-c2ccccc2)nc(/C=C/c2ccccc2)[nH]1 18130153 HLPZQWLAHWGXIG-VAWYXSNFSA-N 274.323 3.607 0 40 CHAB Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O 19948269 HLVRVBVLMZNXMA-UHFFFAOYSA-N 272.087 3.655 0 40 CHAB CCN1C(=O)S/C(=C/C(C)=C/c2ccccc2)C1=O 6325740 ZURHRDTUJZQDOF-HOJJKJLFSA-N 273.357 3.689 0 40 CHAB CC(=O)c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 7029342 LTAXNNBBCDLDDF-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB Fc1c(Nc2cccc(OC(F)F)c2)ncnc1C1CC1 1888866431 DKFQYRXSYWKOBG-UHFFFAOYSA-N 295.264 3.838 0 40 CHAB NNc1ccnc2cc(C(F)(F)F)cc(C(F)(F)F)c12 36533625 CXDHWSBUWFUCFS-UHFFFAOYSA-N 295.186 3.558 0 40 CHAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccco1 81599 SXDWFHDRIJBIJI-UHFFFAOYSA-N 282.324 3.560 0 40 CHAB Cc1cccn2cc(CSc3nc4ccccc4[nH]3)nc12 180456 DBXFURHOPQBJNP-UHFFFAOYSA-N 294.383 3.811 0 40 CHAB CC[C@@H]1c2ccsc2CCN1Cc1ncc(Cl)n1C 40012120 YEDLMPJRVSFSOQ-LLVKDONJSA-N 295.839 3.644 0 40 CHAB Cc1ccc2nc(-c3cc(N)ccc3Cl)[nH]c2c1 20156943 IMMRDZQCKMEBLD-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccccc3)cc12 421256 OAQKYNYHJXIOTE-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Fc1ccc(Oc2ncnc3sccc23)cc1F 8063952 LHCJSEQWXYOZTM-UHFFFAOYSA-N 264.256 3.762 0 40 CHAB CCc1sc(C(=O)Nc2ccc(N(C)C)cc2)cc1C 16596718 KZUGMNLSNLDIRR-UHFFFAOYSA-N 288.416 3.937 0 40 CHAB Nc1ccccc1-c1nc2ccc3ccccc3c2[nH]1 4830873 DWBKTAXQSDQBOW-UHFFFAOYSA-N 259.312 3.965 0 40 CHAB Cc1cccnc1Nc1nc(-c2ccc(O)cc2O)cs1 202312 OTICCPPCQRVHEG-UHFFFAOYSA-N 299.355 3.668 0 40 CHAB Cc1ccccc1OCC(=O)Nc1cccc2cccnc12 364289 BTTCGDZEDXKQQA-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB COc1ccc2c(=O)c(-c3ccccc3OC)c(C)oc2c1 490330 VHVCLWHHADHAGG-UHFFFAOYSA-N 296.322 3.786 0 40 CHAB biogenic O=C1Nc2cc(Cl)ccc2/C1=C\c1cccc(O)c1 573372 OFAYMVYHZLLXRW-NTUHNPAUSA-N 271.703 3.538 0 40 CHAB COc1cccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 22006215 AVUPCGGBSUNPLH-CABCVRRESA-N 273.376 3.872 0 40 CHAB NC1(c2ccccc2Br)CCCCC1 55336241 MZZUFACOJJPFMT-UHFFFAOYSA-N 254.171 3.567 0 40 CHAB Nc1sc(-c2ccncc2)c2c1C(=O)c1ccccc1-2 64479875 YXZKKRKYCBZEPX-UHFFFAOYSA-N 278.336 3.604 0 40 CHAB CN(C)C(=O)c1cccc(OCc2ccccc2Cl)c1 22258347 ALFWWHSXYARWRR-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB CCCCCO[P@](C)(=O)OCCN1CCCCC1 1835664 KGXFZCNERWTLMK-SFHVURJKSA-N 277.345 3.519 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCC(C)CC1 20108644 DQXHRMBTZYDFBA-INIZCTEOSA-N 289.419 3.719 0 40 CHAB O=C(Nc1cccc(Cl)c1Cl)c1ccccn1 12753268 DNNXJLXHQXCBDC-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB C[C@@H](c1cccs1)N(C)C(=O)c1cccc(F)c1 12977157 RMTSIRGCUFNAHB-JTQLQIEISA-N 263.337 3.720 0 40 CHAB C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccccn1 13331896 NGPCFLIOEPPFIG-VIFPVBQESA-N 293.729 3.757 0 40 CHAB Cc1cc(C)c(NC(=O)N2CCCC2)c(Cl)c1 69417220 GWVBWGRZQDLZKJ-UHFFFAOYSA-N 252.745 3.585 0 40 CHAB CC(=O)c1ccc(N(C(C)=O)c2ccccc2)cc1 117551598 QBCRMEBJZKZAGS-UHFFFAOYSA-N 253.301 3.574 0 40 CHAB Cc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1C 8686079 VQTBWNBYIVUKFP-UHFFFAOYSA-N 296.399 3.989 0 40 CHAB Cc1ccc(C(=O)NCCSCc2ccccc2C)cc1 409026723 WEHXLTOOULGFPO-UHFFFAOYSA-N 299.439 3.967 0 40 CHAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1 9499903 XZKJCKMRSBPAPM-KXGOJYIESA-N 278.735 3.587 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1 9479773 SCVYYLSXGPPEAK-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB Cc1ccc([S@](=O)Cc2ccc3ccccc3n2)cc1 33369123 VNEBCCWQEXCETG-FQEVSTJZSA-N 281.380 3.851 0 40 CHAB CC[C@H]1C2=C(OC(=O)C1(C)C)c1ccc(OC)cc1CC2 3850148 RTWKKSGQWKBMLT-HNNXBMFYSA-N 286.371 3.962 0 40 CHAB biogenic Cc1cc(-c2ccccc2O)ncc1Br 536955542 ZCZHRVZITNQBOQ-UHFFFAOYSA-N 264.122 3.525 0 40 CHAB Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)ccn1 72219453 FDQXXQNXUBIQCY-KRWDZBQOSA-N 296.370 3.864 0 40 CHAB COc1ccc([C@@H](O)c2cccc(Br)c2)cc1 37532708 GWEKPQSXQGUPRS-CQSZACIVSA-N 293.160 3.539 0 40 CHAB Cc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)cc1 35585900 AFMZRZSXELWBQH-UHFFFAOYSA-N 262.312 3.825 0 40 CHAB CCOc1cccc(-c2nc3cc(N)cc(C)c3o2)c1 216731576 FNVPMODFZWOJCX-UHFFFAOYSA-N 268.316 3.784 0 40 CHAB COC(=O)c1ccc(CCC(C)C)n1CC(C)C 226024759 TYNDAUPQKVLSEN-UHFFFAOYSA-N 251.370 3.519 0 40 CHAB O[C@@H](c1ccc(Br)cc1F)C1CCCC1 82676931 NYSNCFKDCAKEJX-GFCCVEGCSA-N 273.145 3.812 0 40 CHAB Cc1ccc2cc(F)c(C)c(Br)c2n1 85399617 GCCFUEWRFMQKDG-UHFFFAOYSA-N 254.102 3.753 0 40 CHAB CCc1ccc(CC(=O)N[C@@H](C)c2ccccc2C)cc1 225419408 JEUCGUJFRAQVNK-HNNXBMFYSA-N 281.399 3.977 0 40 CHAB CCOCCS[C@@H](C)c1nc2ccccc2o1 96496022 ZBCWIWZDSZGRAG-JTQLQIEISA-N 251.351 3.659 0 40 CHAB CC[C@H](C)Oc1cc(F)c(F)cc1Br 95915370 QEZSXJXVMHFOFR-LURJTMIESA-N 265.097 3.905 0 40 CHAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc2c(O)cccc12 685938676 ZCINAZUFPUIZTF-VXGBXAGGSA-N 270.376 3.731 0 40 CHAB CC(C)c1ccccc1NC(=O)NCc1ccoc1 47700212 JDWNWLNBWGAXGQ-UHFFFAOYSA-N 258.321 3.725 0 40 CHAB CN(C)c1cccc([C@H]2CCCN2Cc2cncs2)c1 93512811 NLGKNFBIGLHPFB-MRXNPFEDSA-N 287.432 3.546 0 40 CHAB CC(C)[C@H](NC(=O)c1cc(C2CC2)on1)c1cccs1 12146573 ZKCVTRDBOHFDTJ-AWEZNQCLSA-N 290.388 3.741 0 40 CHAB CCc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 2568437 STPBRMMPHJDNPO-UXBLZVDNSA-N 295.338 3.630 0 40 CHAB C[C@@H]1Cc2cc(C(=O)c3ccc(Cl)cc3)ccc2O1 1455717 FGUXAKXSMBKUPB-SNVBAGLBSA-N 272.731 3.894 0 40 CHAB c1ccc(-c2nnn(-c3ccccc3)c2-n2cccc2)cc1 1889211547 ATBVDMFEPQURNG-UHFFFAOYSA-N 286.338 3.725 0 40 CHAB Cc1cc(C(=O)N2CC3(CC(c4ccccc4)C3)C2)c(C)o1 1776001121 ZPYRPYZSDGAQJS-UHFFFAOYSA-N 295.382 3.916 0 40 CHAB CCN(CC)[C@H](C)Cc1cccc(C(F)(F)F)c1 33868230 HXSLLQIYINIVQP-LLVKDONJSA-N 259.315 3.978 0 40 CHAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccccc1C)n2C 100812024 CDCGXUKDKUXJLV-ISLYRVAYSA-N 296.395 3.598 0 40 CHAB O=C(O)c1cc(-c2ccccc2)nc2cc(F)c(F)cc12 125685537 GBSHBAUNDFZKDN-UHFFFAOYSA-N 285.249 3.878 0 40 CHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CC=CCC1 8165514 ODQATMMMGPJAQY-OAHLLOKOSA-N 284.403 3.972 0 40 CHAB O[C@@H]1c2cccc3cccc(c23)-c2nc3ccccc3n21 825627 LVBMDUWQXMHWDM-GOSISDBHSA-N 272.307 3.709 0 40 CHAB COc1ccc(CC[C@@]2(C)O[C@@H](C)CC(C)(C)O2)cc1 1671348 AGEGKOQENQSFOE-GUYCJALGSA-N 278.392 3.948 0 40 CHAB Cc1ccccc1NC(=O)[C@]12C[C@H]3CC[C@@]1(C)[C@@]3(C)CO2 100749598 VEXFIHOUSZHFJY-XFKAJCMBSA-N 285.387 3.529 0 40 CHAB biogenic Cc1ccc2nc(S[C@H]3CCCCCC3=O)[nH]c2c1 29302087 VKLXVYPIOMJUKL-AWEZNQCLSA-N 274.389 3.865 0 40 CHAB CCC[C@@H]1[C@@H](CC)C[C@H](CC)[C@H](O)[C@@]1(CC)CO 4578835 IYPYZCBRSAZZKB-QMHWVQJVSA-N 256.430 3.608 0 40 CHAB CCc1cccc(NC(=O)c2cc3ccccc3c(=O)o2)c1 204870 PUJJLRDBJSQQLA-UHFFFAOYSA-N 293.322 3.608 0 40 CHAB C(=C\[C@H]1OC[C@H](c2ccccc2)O1)\c1ccccc1 4705591 WSGOUZOHBWMGBM-MMCLNADLSA-N 252.313 3.814 0 40 CHAB CC(=O)N1CCCC[C@@H]1C12CC3CC(CC(C3)C1)C2 4967339 WQNDBMUHTOLQNW-YYUOFMGYSA-N 261.409 3.604 0 40 CHAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(Cl)cc1 6883302 FCUJTLQCFAGEOA-QJPTWQEYSA-N 278.783 3.898 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(F)cc1 7527196 CDIHTPJENUNWDR-GWCFXTLKSA-N 266.385 3.691 0 40 CHAB C[C@@H](CC(=O)Nc1nnc(C2CC2)s1)c1ccccc1 2629105 LJXZKMQMMDQVKK-JTQLQIEISA-N 287.388 3.548 0 40 CHAB c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 553602 KGWKTDZMUQWDEW-UHFFFAOYSA-N 278.340 3.520 0 40 CHAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@H]1c1cccs1 102250781 KBUSFRPGMACBKK-XUXIUFHCSA-N 273.401 3.624 0 40 CHAB C[C@H]1CCCCN1C(=O)c1csc(-c2ccsc2)n1 23177674 VWWSJIVYDGITRM-JTQLQIEISA-N 292.429 3.886 0 40 CHAB O=C(Nc1ccc(F)cc1)C1[C@H]2CC/C=C/CC[C@@H]12 101361996 YXHKVKSCJUBPED-FEDHDSKHSA-N 259.324 3.757 0 40 CHAB O=C(CSc1ccc(F)cc1)c1ccc(F)cc1 1396943 ZMCMNYRXMICJTF-UHFFFAOYSA-N 264.296 3.940 0 40 CHAB Cc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1C 3288883 UPTXBIAFOIGZJE-UHFFFAOYSA-N 272.373 3.775 0 40 CHAB Cc1noc(C)c1CSc1ncnc2sccc12 3255865 OMNBJHPUQCVEHZ-UHFFFAOYSA-N 277.374 3.588 0 40 CHAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCCCC1 58018597 IJRQLYOKDUSUBS-LLVKDONJSA-N 291.782 3.937 0 40 CHAB Cc1cc(NC(=O)N[C@H](c2cccs2)C(C)C)no1 48234992 GCDMPICKMXGYOD-LBPRGKRZSA-N 279.365 3.563 0 40 CHAB C[C@@H](Cc1ccsc1)Nc1nccc(C(F)(F)F)n1 70264374 UUMGCDAMNOEKIP-QMMMGPOBSA-N 287.310 3.600 0 40 CHAB COc1ccccc1NC(=O)NC[C@@H](C)c1ccccc1 18180625 DHXQDOOPPQISKF-CYBMUJFWSA-N 284.359 3.620 0 40 CHAB CCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14187710 GVWGKQFEXHBIHI-UHFFFAOYSA-N 273.307 3.758 0 40 CHAB CNc1nc(-c2c(C)n(C)c3ccc(OC)cc23)cs1 4995411 FUDWFUXZKISFAT-UHFFFAOYSA-N 287.388 3.661 0 40 CHAB Cc1cnc(NC(=O)COc2ccc3ccccc3c2)s1 7007387 NPHCUBYXHCEEHF-UHFFFAOYSA-N 298.367 3.622 0 40 CHAB Cc1cccc(C)c1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 15317493 OFYMHVNENYDZMS-YIONKMFJSA-N 285.387 3.637 0 40 CHAB COc1cccc(C(=O)N2CCCSc3ccccc32)c1 15480321 OWVDZBFEVDTUMA-UHFFFAOYSA-N 299.395 3.838 0 40 CHAB CC(C)[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(F)cc1 67816330 QECGDRKVKPHXAD-OLZOCXBDSA-N 265.372 3.555 0 40 CHAB Cc1cccc(NC(=O)N2CCc3ccccc3C2)c1C 15899672 JVXKIEQCEPIDGY-UHFFFAOYSA-N 280.371 3.894 0 40 CHAB Cc1ccc(CCC(=O)Nc2nccc3sccc23)o1 96012029 DQWOVSMSQPZEER-UHFFFAOYSA-N 286.356 3.769 0 40 CHAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2cccc(N)c2)cc1 19736034 YNVLIDBBKGIRQW-CYBMUJFWSA-N 298.386 3.798 0 40 CHAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1O 9751770 OGVYKCQCTXDHIH-UHFFFAOYSA-N 293.322 3.563 0 40 CHAB CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccccc1 20481376 JMCYNHHDYUKVGK-GOSISDBHSA-N 297.398 3.950 0 40 CHAB CCCc1nc(Cl)c2cc(Br)ccc2n1 39155320 UKZVHLYALGNVDH-UHFFFAOYSA-N 285.572 3.998 0 40 CHAB 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 524732078 WDTAJXMIXADUTH-RMCLQANOSA-N 291.479 3.717 0 40 CHAB biogenic Cc1nc(N2CCCCCC2)ccc1[C@H](N)c1ccccc1 72224581 JPJZAPVLRVZSAE-LJQANCHMSA-N 295.430 3.819 0 40 CHAB CCCN1CCC[C@H]1c1ccc(NCC(C)C)nc1 72213316 UIHGGULBFVLOJS-HNNXBMFYSA-N 261.413 3.696 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)N(C)C2CCCCC2)c1 30869507 QAARSAUFKQBHJL-OAHLLOKOSA-N 289.419 3.862 0 40 CHAB COc1ccccc1-c1cc(-c2cccc(C)c2)nc(N)n1 71978118 VNQXGVRPLHAJPV-UHFFFAOYSA-N 291.354 3.710 0 40 CHAB Cc1cccc(C(=O)c2cccc(Cl)c2Cl)n1 45028506 SOVYXGSRYDTWLS-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CCc1ccccc1NC(=O)NCc1sccc1C 43401734 VSLRJRMOOWZPBM-UHFFFAOYSA-N 274.389 3.941 0 40 CHAB COCCCNCc1cccn1-c1ccc(Cl)cc1C 223686453 JDHJBJTUPVMAFB-UHFFFAOYSA-N 292.810 3.565 0 40 CHAB Clc1cccc(Cl)c1OCCC1OCCCO1 89064058 FXRNHFKJQUXHIZ-UHFFFAOYSA-N 277.147 3.525 0 40 CHAB Cc1ccc(CCC(=O)NCc2ccccc2)cc1C 96621696 JDOQMQBTNRUWOM-UHFFFAOYSA-N 267.372 3.552 0 40 CHAB Cc1ncsc1C(=O)N1CCC(=Cc2ccccc2)CC1 98018709 CHWVKFXLMJPJCY-UHFFFAOYSA-N 298.411 3.771 0 40 CHAB CO[C@H](CNC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 253473328 UFFFTADAQLZPSC-SUMWQHHRSA-N 299.370 3.593 0 40 CHAB CCCN1c2ccc(C(=O)O)cc2[C@H](C)CC1(C)C 260714160 AZXGMAABWKGVSI-LLVKDONJSA-N 261.365 3.887 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccc(F)cc2Cl)c1 89064225 DXTQVZGANLGGGE-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB COC(=O)CCCCC(=O)c1cc(C)c(Cl)c(C)c1 575357853 WWWIPCOBRRTGIX-UHFFFAOYSA-N 282.767 3.873 0 40 CHAB CC1(C)C[C@H](Cn2ccc(-c3nccs3)n2)C(C)(C)O1 882989462 RIEORMVRWXBYBI-LLVKDONJSA-N 291.420 3.600 0 40 CHAB O=C(NCc1cccs1)NCc1cccc2ccccc12 63798326 ZLBTVTCIQXSXHJ-UHFFFAOYSA-N 296.395 3.901 0 40 CHAB Cc1cccc(Nc2[nH]c(C)nc3ncc(C)c2-3)c1 5553860 NBHFUGCYHLHMNN-UHFFFAOYSA-N 252.321 3.578 0 40 CHAB CC[C@@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 13745656 DGVMMHFVJFILKI-AGIUHOORSA-N 254.418 3.689 0 40 CHAB COc1ccc(C(=O)CSc2ccccc2)cc1 35184002 FCPGMIDFJVGKPQ-UHFFFAOYSA-N 258.342 3.670 0 40 CHAB CCOc1cc(CNC(C)C)ccc1OCC(C)C 34651995 FOBRKFRHTNEBQL-UHFFFAOYSA-N 265.397 3.618 0 40 CHAB c1ccc(CN2CCCC[C@@H]2c2ncn3ccsc23)nc1 2037666391 CNGYJOWCVHHVOT-CQSZACIVSA-N 298.415 3.518 0 40 CHAB Cc1cccc(NCn2c(=O)oc3cc(Cl)ccc32)c1 58633 UVQGIGTWVRUVRN-UHFFFAOYSA-N 288.734 3.626 0 40 CHAB CCc1nc(N2CCCCC2)c2c3c(sc2n1)CCC3 87146 ARVHGDOGGRDDFV-UHFFFAOYSA-N 287.432 3.733 0 40 CHAB O=CNc1cc2c(cc1Cl)-c1ccc(Cl)cc1C2=O 1569591 MUYNVDCJIMELOF-UHFFFAOYSA-N 292.121 3.773 0 40 CHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3C(=O)[C@@H](C)CC[C@H]32)C1 4028253 GOCNYSCJLWRRBG-ZWMDVYQCSA-N 290.403 3.670 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CC[C@H]1c1ccccc1 45827382 GOPNRLPIQHBHMO-HNNXBMFYSA-N 270.307 3.805 0 40 CHAB C[C@@H]1CCCCN1c1nc(Cl)nc2ccccc12 11756894 JQLXXFZWEZHAIS-SNVBAGLBSA-N 261.756 3.662 0 40 CHAB Cc1ccccc1OCCCn1c(C=O)nc2ccccc21 6607716 GFPWHSXVAILUFQ-UHFFFAOYSA-N 294.354 3.626 0 40 CHAB Cc1nc(Cl)sc1C(=O)Oc1cccc(F)c1C 385251 CHXONYWGOJNRSZ-UHFFFAOYSA-N 285.727 3.772 0 40 CHAB COc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1N2 347520 IXOFYFZRTXYNDM-UHFFFAOYSA-N 274.707 3.658 0 40 CHAB COc1ccccc1NC(=O)N(C)C1CCCCCC1 32858126 BHTJNVOHTZNHSY-UHFFFAOYSA-N 276.380 3.882 0 40 CHAB Cc1ccc([C@H]2C3=C(O)C[C@H](C)CC3=Nc3ncnn32)cc1 102602510 ONNDERDSODQIFB-BZNIZROVSA-N 294.358 3.504 0 40 CHAB CCc1c(C)nc2c(-c3ccc(Cl)cc3)cnn2c1O 102801346 JUVUXUVXZXECNA-UHFFFAOYSA-N 287.750 3.626 0 40 CHAB Cc1nc(-c2cc(C)n(-c3nccs3)c2C)cs1 7763298 AYWWMPFOGQYXIL-UHFFFAOYSA-N 275.402 3.983 0 40 CHAB CC(=O)c1cccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 103344265 OPEIEMOYPVILBT-QEJZJMRPSA-N 271.360 3.654 0 40 CHAB C[C@@H](NC(=O)CCc1cc2ccccc2o1)c1ccncc1 22753456 BBCPYLIKKQIBSB-CYBMUJFWSA-N 294.354 3.638 0 40 CHAB C[C@H]1CCCCN1c1ncnc2sc3c(c12)CCCC3 2886878 CCQMLCVCMDJDAZ-NSHDSACASA-N 287.432 3.949 0 40 CHAB CC[C@H](C)c1cc(Cl)ccc1OC[C@@H]1CCNC1 42771124 QZAHRHHMKIMSBB-NWDGAFQWSA-N 267.800 3.842 0 40 CHAB O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc(Cl)cc1 100979659 FCUJTLQCFAGEOA-UTUOFQBUSA-N 278.783 3.898 0 40 CHAB Cc1cccc(C(=O)Nc2cc(Cl)ccc2C)n1 24448952 VHLCZFAPYGPYEC-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CC(C)(C)OC(=O)N1CC=C(c2ccccc2)CC1 34558050 OESDBFQMFCAJFP-UHFFFAOYSA-N 259.349 3.711 0 40 CHAB in-vitro C/C=C(\C=C\C(=O)Oc1ccc(N2CCCC2=O)cc1)CC 89914150 UPHVUCWZCHAASF-UBESCZKGSA-N 299.370 3.631 0 40 CHAB CCCCC(=O)N[C@H](C)c1cc2cccc(OC)c2o1 25139269 FSZIKQLLMVFONY-LLVKDONJSA-N 275.348 3.809 0 40 CHAB Cc1ccc(F)cc1C(=O)C(Cl)(Cl)Cl 307108123 IRZZGMYXWISQRV-UHFFFAOYSA-N 255.503 3.687 0 40 CHAB Nc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1 3882678 NXHXEFJFRDCOAP-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB O=C(OCc1ccc(F)cc1)c1ccccc1Cl 409196606 QHHYYUYQDNXMAY-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(F)cc1 5754334 UHANRFOOTYJBNY-UHFFFAOYSA-N 297.285 3.838 0 40 CHAB CN(CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 6911100 IHAIQYBOCIDESD-UHFFFAOYSA-N 292.741 3.554 0 40 CHAB Cc1nc(SCC(C)(C)O)n(C2CCCCC2)c1C 78489812 FFEDWCBIYQQQMJ-UHFFFAOYSA-N 282.453 3.868 0 40 CHAB COCc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 7474900 XPABWKXEWNTUEP-UHFFFAOYSA-N 273.307 3.533 0 40 CHAB O=C(CCn1ccc2c(Cl)cccc21)Nc1ccncc1 71282654 CIAYDUYQBJANGU-UHFFFAOYSA-N 299.761 3.719 0 40 CHAB C[C@H](NC(=O)c1ccc2ccccc2c1)c1ccccn1 9745230 BTHIRDOAIRLZOR-ZDUSSCGKSA-N 276.339 3.726 0 40 CHAB Cc1ccc(-c2cc(NC(=O)CC3CCCC3)[nH]n2)s1 72278463 PHFWQOJRHRPHKW-UHFFFAOYSA-N 289.404 3.965 0 40 CHAB C[C@H](c1ccncc1)N(C)Cc1cccc2[nH]ccc12 97113706 IXWXYVOCHVMNBE-CYBMUJFWSA-N 265.360 3.756 0 40 CHAB c1cc(CNc2ccc3c(c2)CCC3)c2[nH]ncc2c1 72312303 GRKLJAVIAXNCPN-UHFFFAOYSA-N 263.344 3.664 0 40 CHAB CC(C)CN(CC(C)C)C(=O)c1c(F)cccc1F 84847366 XYDPJPAOTUNPJN-UHFFFAOYSA-N 269.335 3.719 0 40 CHAB CCc1ccc(C(=O)c2ccc(OC)c(F)c2)cc1 35423913 JCLXXQAEDWHDIS-UHFFFAOYSA-N 258.292 3.628 0 40 CHAB C[C@H](C1CCCCC1)N(C)C(=O)CCc1cncs1 513312701 PZGSWQMHWSJXBX-GFCCVEGCSA-N 280.437 3.503 0 40 CHAB Cc1nc2cc(C(=O)Nc3ccccc3Cl)ccc2n1C 74957462 PHAZOMRALLUQGL-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB CCNc1ccc([C@@H]2CCCCN2CC(C)C)cn1 72213096 BDKAJMKNMCCWIQ-HNNXBMFYSA-N 261.413 3.696 0 40 CHAB CCOc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72211837 QMHKPEWBKVQZRX-CYBMUJFWSA-N 292.379 3.552 0 40 CHAB Cc1occc1COC(=O)c1csc(-c2ccoc2)n1 73535282 FGQKGVMRUYPPHI-UHFFFAOYSA-N 289.312 3.662 0 40 CHAB COC(=O)c1ccc2nc(C(F)(F)F)cc(Cl)c2c1 35270038 SZKUQMZISQHQIO-UHFFFAOYSA-N 289.640 3.694 0 40 CHAB Cc1ccccc1COc1cc(Cl)c(O)c(C(=O)O)c1 216753170 WLGWUNSVHRSYTN-UHFFFAOYSA-N 292.718 3.631 0 40 CHAB Clc1ccc2nc(SCCc3cccnc3)[nH]c2c1 509984368 UPXISXCCWQBQKJ-UHFFFAOYSA-N 289.791 3.946 0 40 CHAB CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)on1 85221496 MKMLEMDGZCVWJB-UHFFFAOYSA-N 285.221 3.537 0 40 CHAB Cc1cc(C)cc(Nc2ccc(C(=O)NC3CC3)cc2N)c1 225419720 WGELONNQHYFKBM-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB Cc1ccccc1NC(=O)c1snnc1-c1ccccc1 225758779 VIOABGZFOSWRRY-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB C[C@@H](O)c1cc(C(F)(F)F)ccc1C(F)(F)F 91252069 JQSGCKQDLFXCFT-RXMQYKEDSA-N 258.161 3.778 0 40 CHAB CCCCNC(=O)[C@H](C)Oc1cccc2ccccc12 13709270 BBICGEQXKOIXHA-ZDUSSCGKSA-N 271.360 3.523 0 40 CHAB Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 478193 CJKYKXAESHUOOV-UHFFFAOYSA-N 274.918 3.581 0 40 CHAB O=C(c1ccccc1)[C@@H]1CCCCN1C(=O)c1ccccc1 5809779 FYKXWTQVVIILKN-KRWDZBQOSA-N 293.366 3.564 0 40 CHAB CCOc1ccccc1OC(=O)c1sccc1C 3363403 NNWGWVMUCDWSDE-UHFFFAOYSA-N 262.330 3.674 0 40 CHAB COCCCNC(=O)c1sc2cc(C)ccc2c1Cl 6279367 ZFILBSYYNPNFRR-UHFFFAOYSA-N 297.807 3.629 0 40 CHAB Cc1nc2ccccc2nc1NC1CC(C)(C)NC(C)(C)C1 32771218 VVKQCSDAAMUQHE-UHFFFAOYSA-N 298.434 3.659 0 40 CHAB Cc1cccc(CNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c1 40059684 QGXMIBMEERFVMV-WMLDXEAASA-N 297.398 3.960 0 40 CHAB O=C(Nc1cccc2ccccc12)c1ccccc1O 73206 KNDXRSHNJYVDFS-UHFFFAOYSA-N 263.296 3.798 0 40 CHAB Clc1ccc(CSc2nncn2C2CC2)s1 40485837 XUTGBTNXVQGMAB-UHFFFAOYSA-N 271.798 3.620 0 40 CHAB C[C@H](NC(=O)NC1CC1)c1ccc(Cl)cc1Cl 20536021 QNNAIKJCBBCASG-ZETCQYMHSA-N 273.163 3.516 0 40 CHAB CCC(CC)NC(=O)/C=C/c1ccc(Cl)cc1 4723573 TYTKUMZFMBMCNF-JXMROGBWSA-N 251.757 3.658 0 40 CHAB CCc1ccccc1NC(=O)c1ccccc1OC 269032 KLXCQMQCVREEMD-UHFFFAOYSA-N 255.317 3.510 0 40 CHAB Oc1ccc(C2(c3ccc(O)cc3)CCCC2)cc1 235823 OVVCSFQRAXVPGT-UHFFFAOYSA-N 254.329 3.958 0 40 CHAB CC(C)C[C@H](CO)Nc1ncc(C(F)(F)F)cc1Cl 40779291 RSFUHKFWLHKTAZ-SECBINFHSA-N 296.720 3.573 0 40 CHAB CC(=O)Nc1ccc2c(c1)C(=O)Cc1ccccc1S2 347359 DFYRQCCTICBRQS-UHFFFAOYSA-N 283.352 3.535 0 40 CHAB O=C(NCC1(c2ccccc2)CCCCC1)C1CCC1 32824818 VNNMLZYGSYUBGF-UHFFFAOYSA-N 271.404 3.805 0 40 CHAB CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 481839 DOALBJDTZPDTPE-UHFFFAOYSA-N 299.395 3.816 0 40 CHAB biogenic O=C(C[C@@H](c1ccccc1)c1ccccc1O)N1CCCC1 521135 GZWJQVNDMKRYTK-KRWDZBQOSA-N 295.382 3.537 0 40 CHAB Fc1ccc(Oc2ncnc3ccccc23)c(F)c1 24058483 SELRFXWJVGLOCQ-UHFFFAOYSA-N 258.227 3.700 0 40 CHAB Cc1csc(SCc2cc(F)cc3c2OCOC3)n1 53048238 UECUPBKPZQYHTA-UHFFFAOYSA-N 297.376 3.749 0 40 CHAB COc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 53584259 LFBMOERMLNOFSM-UHFFFAOYSA-N 294.326 3.782 0 40 CHAB CC(C)(C)C1CCC(C(=O)OCC(=O)c2ccc[nH]2)CC1 3278846 MJILJZHJJHBZMV-UHFFFAOYSA-N 291.391 3.593 0 40 CHAB CCCCCCNC(=O)c1cccc2ncccc12 13012969 FSXOYRXRINHWQE-UHFFFAOYSA-N 256.349 3.545 0 40 CHAB O=C(Nc1nc(C2CC2)cs1)c1ccc2c(c1)CCCN2 49237130 JYYBNXPXCWKRFZ-UHFFFAOYSA-N 299.399 3.631 0 40 CHAB COc1ccc(Oc2ccc3c(C)nccc3n2)cc1 4052003 FVGGODGIONPBDP-UHFFFAOYSA-N 266.300 3.739 0 40 CHAB CC(C)C(=O)Nc1ccccc1C(=O)c1ccccc1 119164182 XFKVEXXWLLUBFW-UHFFFAOYSA-N 267.328 3.512 0 40 CHAB CC(=O)c1ccc(NC(=S)N2C[C@@H](C)C[C@@H](C)C2)cc1 13878681 SMSPZZFACKLMBP-TXEJJXNPSA-N 290.432 3.564 0 40 CHAB C[C@H](NC(=O)c1cccc(Cl)c1)c1cccs1 6220434 CEGAKMLUEMAXFV-VIFPVBQESA-N 265.765 3.893 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2SC)cc1C 13945975 FDRWXTIQDLBWEL-UHFFFAOYSA-N 287.384 3.978 0 40 CHAB S=C1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)N1 18191163 IFBQTHVUDONCPV-OAHLLOKOSA-N 273.788 3.903 0 40 CHAB Cc1cccc(Cl)c1NC(=O)N(C)Cc1cccnc1 97161897 ICSFMLYRGHSWCM-UHFFFAOYSA-N 289.766 3.707 0 40 CHAB COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(C)n2)cc1 97142744 URQWONIIXHRSMQ-ZDUSSCGKSA-N 299.374 3.624 0 40 CHAB CC(C)CCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 84510128 KMVLOOXXHJYPCY-GXTWGEPZSA-N 265.784 3.748 0 40 CHAB Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccco1 32193262 IOANGLXJFSKNSU-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB Clc1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1 70461321 YSAPOQDRVPXZTH-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB COc1ccc(CCCC(=O)N[C@H]2CCCC[C@H]2C)cc1 75284432 IXYZJCUDPAWHPW-PBHICJAKSA-N 289.419 3.713 0 40 CHAB Cc1cc(NC(C)(C)C)ncc1CNC(=O)OC(C)(C)C 72223967 MCKHMYHXXJWZBO-UHFFFAOYSA-N 293.411 3.625 0 40 CHAB CC1(OC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)C2CC3CC(C2)CC1C3 72232653 OJGSGTWNQWAFBE-ROBLWNSKSA-N 286.415 3.957 0 40 CHAB O=C(c1cnc2ccccc2c1)c1c(F)cccc1F 45028963 ZNDUURSCYPUHJY-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC(C)C 44901586 BYVBOLUVGXVPPN-CYBMUJFWSA-N 283.799 3.660 0 40 CHAB CCOC(=O)c1oc2cccc(OC(C)C)c2c1C 85395588 GYZMRJFFPIMPDD-UHFFFAOYSA-N 262.305 3.705 0 40 CHAB CCN1c2cc(OC)c(C(=O)O)cc2[C@@H](C)CC1(C)C 223779054 ZMRIBOYXHDZBJK-JTQLQIEISA-N 277.364 3.506 0 40 CHAB CC[C@@H](Nc1cncc(-n2ccnc2C)n1)c1cccs1 195575530 LKQYWYLIKAXGQP-GFCCVEGCSA-N 299.403 3.595 0 40 CHAB Cc1cc(C)n(-c2cc(C)c(Br)cc2C)n1 45957943 UEUIYFWQOJCFRZ-UHFFFAOYSA-N 279.181 3.868 0 40 CHAB C[C@H](c1ccc(Br)cc1)N1CCCC1 83442694 QGCHPDGYVYGLTE-SNVBAGLBSA-N 254.171 3.606 0 40 CHAB CCOc1ccc(-c2nc(-c3cccc(N)c3C)no2)cc1 140287416 LNLLQDCCHVYAEO-UHFFFAOYSA-N 295.342 3.693 0 40 CHAB O=C(NCCc1ccoc1)c1ccc(-c2ccccc2)cc1 90607401 SLUAAHKRIJDLBG-UHFFFAOYSA-N 291.350 3.919 0 40 CHAB CCCCC(=O)c1ccc(Br)c(OC)c1 389378780 PKUUFDNNNBERGH-UHFFFAOYSA-N 271.154 3.831 0 40 CHAB c1cc(-c2ccnn2CC2CCCCCC2)ccn1 96006449 KUYIDSOVKCECSU-UHFFFAOYSA-N 255.365 3.916 0 40 CHAB C[C@@]12O[C@@H](c3ccccc3)[C@@](C)(O[C@H]1c1ccccc1)O2 5568136 VFGNCHIXZJGVRM-XSLAGTTESA-N 282.339 3.978 0 40 CHAB COc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 13710240 ADOMUZJQBZTSNL-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB COc1cccc(CN2CCCCC[C@H]2c2ccn(C)n2)c1 19291085 JURGOJFFOBXUHM-SFHVURJKSA-N 299.418 3.546 0 40 CHAB CC(C)(C)OC(=O)OCCCC(F)(F)C(F)(F)F 169795779 RGTBXOSQOFUEQM-UHFFFAOYSA-N 278.217 3.916 0 40 CHAB O[C@H](c1cccc(OCc2ccccc2)c1)C(F)(F)F 107723580 AYXCEAAUMJRBEQ-CQSZACIVSA-N 282.261 3.861 0 40 CHAB CCOc1cc(CNc2cccc(C)c2)ccc1O 19877055 BODPSBMGCZVHFD-UHFFFAOYSA-N 257.333 3.711 0 40 CHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccsc1 8266172 VAESZEAONCPNBZ-UHFFFAOYSA-N 288.397 3.630 0 40 CHAB c1ccc2c(c1)C[C@H](CN[C@@H]1CCSc3ccccc31)O2 38009328 AVRZCZDPAKATHV-GDBMZVCRSA-N 297.423 3.817 0 40 CHAB C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cccnc2)C1 98014242 TULAAQGZLPNOMG-WBMJQRKESA-N 299.349 3.836 0 40 CHAB CCN(Cc1ccccc1)Cc1ccc(OC)cc1OC 20058128 KJFKEURXWTWVGP-UHFFFAOYSA-N 285.387 3.726 0 40 CHAB COc1ccc(C(=O)n2c(=S)oc3ccccc32)cc1 50020 YHNLNJMTMIRUIV-UHFFFAOYSA-N 285.324 3.661 0 40 CHAB CC(C)(C)c1ccccc1OCC[C@@H]1CCCCN1 20221533 FXOZRFFMAOFUBY-AWEZNQCLSA-N 261.409 3.895 0 40 CHAB Clc1ccc(-c2csc(-c3cnccn3)n2)s1 117796 WGZRWSAJMMFNMQ-UHFFFAOYSA-N 279.777 3.982 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2ccccc2)C1(C)C 356659 FHSCASJCQIFIIY-CVEARBPZSA-N 271.404 3.584 0 40 CHAB CCSc1nnc(COc2ccc(Cl)cc2)n1CC 421424 QKPWQRSSQUVAIJ-UHFFFAOYSA-N 297.811 3.642 0 40 CHAB CCCCN(CCCC)C[C@](C)(O)c1ccccc1 1682346 ZTEXDCBRMUKYRD-KRWDZBQOSA-N 263.425 3.796 0 40 CHAB O=C(/C=C/c1ccco1)OCc1c(F)cccc1Cl 3254940 BELZFXDIOOYFJY-VOTSOKGWSA-N 280.682 3.829 0 40 CHAB Cc1ccccc1OCCC(=O)Nc1ccc2c(c1)CCC2 3351840 LYAYQMBQNCGPAG-UHFFFAOYSA-N 295.382 3.891 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)c1ccnc(Cl)c1 4280864 MXNLCYXASKTZBP-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB Cc1cccc(-n2c(S)nnc2-c2ccccc2)c1 5901055 QZKCJUSXELDLGP-UHFFFAOYSA-N 267.357 3.531 0 40 CHAB Cc1[nH]c2ccc(C(=O)NCc3cccs3)cc2c1C 6662223 IOCPHPHNHRVTFP-UHFFFAOYSA-N 284.384 3.776 0 40 CHAB Cc1cc(-n2c(C)cc(-c3csc(C)n3)c2C)no1 7763301 WTDPBWKBFQIQPL-UHFFFAOYSA-N 273.361 3.822 0 40 CHAB C[C@H](NC(=O)c1ccsc1)c1cc2ccccc2o1 8240939 HFDBIPRWUFYRQB-JTQLQIEISA-N 271.341 3.985 0 40 CHAB COc1ccccc1CCNC(=O)Nc1cc(C)ccc1C 8370061 IQGZVRGDYPINML-UHFFFAOYSA-N 298.386 3.676 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)NCCC1=CCCCC1 8558233 ISQIHXXEZQNMKZ-QGZVFWFLSA-N 287.403 3.851 0 40 CHAB CSCc1ccc(C(=O)Nc2cc(F)ccc2C)o1 12599345 KXKARVGFDAXCPI-UHFFFAOYSA-N 279.336 3.842 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12753592 MDYZLCWRWJYFFF-DIFFPNOSSA-N 263.340 3.852 0 40 CHAB CCC(C)(C)NCc1cccc(Br)c1 13717954 SIDFRFQMBKJVNC-UHFFFAOYSA-N 256.187 3.727 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCC[C@H](C(F)(F)F)C1 18173611 ZBJWLTNDOOQPBS-VIFPVBQESA-N 290.260 3.632 0 40 CHAB c1ccc([C@@H]2[C@@H](NC[C@@H]3CCOC3)[C@H]3CCCC[C@H]32)cc1 19373873 BGTSCRBVFFYYHM-HXFGRODQSA-N 285.431 3.585 0 40 CHAB O[C@H](CNCc1ccc(Cl)c(Cl)c1)c1ccccc1 20509360 WQSDSDPSYHICRT-OAHLLOKOSA-N 296.197 3.817 0 40 CHAB Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@H](C)C2 20632777 AQWQODNSYKMIMO-SECBINFHSA-N 274.751 3.599 0 40 CHAB CO[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@@H]1C 23467508 QMTKQILBJORGOU-DJZPMSPPSA-N 273.376 3.612 0 40 CHAB COc1c(N)cc(-c2nc3cc(C(C)C)ccc3o2)cc1N 26509072 JUMHXKUWFKPJHJ-UHFFFAOYSA-N 297.358 3.791 0 40 CHAB C[C@H](OCC(F)(F)F)C(=O)Nc1cccc2ccccc12 31663714 UKPMJZICZMHGPK-JTQLQIEISA-N 297.276 3.746 0 40 CHAB Cc1ccc(SCC(=O)N(C)Cc2ccccc2)cc1 31852136 NBPPRQFRCRQQFR-UHFFFAOYSA-N 285.412 3.746 0 40 CHAB Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1C 31943918 SIJLAKSUTDZFHS-UHFFFAOYSA-N 280.327 3.618 0 40 CHAB COc1ccc(-c2ccn3c(n2)nc2ccccc23)cc1F 32104484 ADULCLOLCISGFF-UHFFFAOYSA-N 293.301 3.697 0 40 CHAB O=C(Nc1ccc2ccccc2n1)[C@H]1CC=CCC1 32736066 YGOKPPXIZWUZKJ-ZDUSSCGKSA-N 252.317 3.530 0 40 CHAB Cc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2)c1 33734871 WVEWWGOQQJNPMU-UHFFFAOYSA-N 289.338 3.704 0 40 CHAB CCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 36613508 PTAAAZNYFWMCHN-UHFFFAOYSA-N 281.281 3.903 0 40 CHAB CCc1n[nH]c(N)c1-c1ccc(Cl)cc1Cl 36935817 GHBUAJYCUNNSNS-UHFFFAOYSA-N 256.136 3.528 0 40 CHAB C[C@@H](OCc1ccccc1)C(=O)c1ccc(F)cc1F 40448137 XBLJRJZCBFBRNA-LLVKDONJSA-N 276.282 3.753 0 40 CHAB CCN(CC)c1nc(N2CCC[C@H](C)C2)nc2ccccc12 41147894 QSZVWVZNWUZBEB-AWEZNQCLSA-N 298.434 3.712 0 40 CHAB CCOc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1 41155809 XCZQWWHMDXQILQ-CYBMUJFWSA-N 297.354 3.513 0 40 CHAB Fc1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cc1 41416316 NNYBUYJFCKCZGQ-UHFFFAOYSA-N 276.620 3.955 0 40 CHAB Cc1ccncc1C(=O)c1cc(Cl)ccc1Cl 45029032 SINFHZXSQSPVAD-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CCCCOc1ccc(C(=O)c2ccnc(C)c2)cc1 45038563 NQASOZJXGWMGOM-UHFFFAOYSA-N 269.344 3.800 0 40 CHAB Cc1ccccc1NS(=O)(=O)c1cccc(Cl)c1C 48652222 XSMVVVZJLJZQIO-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB Cc1ccc(NC(=O)C2CC2)cc1NCc1c(C)noc1C 55849276 VZSWIKZGZZHQPI-UHFFFAOYSA-N 299.374 3.560 0 40 CHAB CCCCN1CCn2cccc2[C@@H]1c1ccccc1 60087752 DDFSQLAHAFBWFZ-KRWDZBQOSA-N 254.377 3.693 0 40 CHAB O=C(c1ccc(F)cc1)c1ccc(F)c(Cl)c1 62791759 PWYBMIVCNKBQSK-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB Cc1cc(C)c(C(=O)c2ccccc2C(=O)O)cc1C 71195834 CCRZMCKSPZPGAH-UHFFFAOYSA-N 268.312 3.541 0 40 CHAB CCc1cc(Cl)c(OC)c(C(=O)NC2CCCC2)c1 72206537 PDCRSHJTQJLSBR-UHFFFAOYSA-N 281.783 3.583 0 40 CHAB Cc1cnccc1[C@H]1CCCN1Cc1ccccc1 72219504 VKZHVDUEJBFGRM-QGZVFWFLSA-N 252.361 3.727 0 40 CHAB CC(C)NC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 76092915 HSFNVJIYDZPFMR-ZDUSSCGKSA-N 283.375 3.517 0 40 CHAB Cc1cc(C)cc([C@H]2CCCN2C(=O)Cc2cccnc2)c1 79349735 IALFRRZLIQFHQY-GOSISDBHSA-N 294.398 3.605 0 40 CHAB COC(=O)c1cn(Cc2ccccc2)c2cc(C)ccc12 89203417 ZHXHSEHDXKKPCG-UHFFFAOYSA-N 279.339 3.785 0 40 CHAB Cc1ccsc1[C@@H](C)NCc1ccc([S@@](C)=O)cc1 90221401 CADFGZXNISJCCV-BLVKFPJESA-N 293.457 3.645 0 40 CHAB COC(=O)C1(c2ccc(C(C)(C)C)cc2)CCC(=O)CC1 90513056 AHUASEFWMIXTKP-UHFFFAOYSA-N 288.387 3.538 0 40 CHAB CC[C@H](C)OCC(=O)Nc1cc(C(C)C)c(O)cc1C 95434325 BJSVRCZRHMZHLF-LBPRGKRZSA-N 279.380 3.578 0 40 CHAB Cc1ccc(OCC(C)C)c(C(=O)C(F)(F)F)c1 95732843 YBPYDJQQKCFTOC-UHFFFAOYSA-N 260.255 3.775 0 40 CHAB CCCOCC1(c2ccc(Br)cc2)CC1 96515634 IQMVQJDRGORKHF-UHFFFAOYSA-N 269.182 3.907 0 40 CHAB Cc1cccc2cc(C(=O)N3CCC(C)CC3)oc12 139476280 PNOQWGSLOMMYGN-UHFFFAOYSA-N 257.333 3.613 0 40 CHAB CC(C)CC(=O)c1ccc(Br)cc1F 166081870 ZZPZVUWARRHTDY-UHFFFAOYSA-N 259.118 3.817 0 40 CHAB CCCCNC(=O)CSCc1ccc(Cl)cc1F 187956726 DPCCJFSXSKSOQX-UHFFFAOYSA-N 289.803 3.629 0 40 CHAB Cc1cc(C)n(-c2cc(N)cc(C(F)(F)F)c2)c1 199763312 KDLXIGGCPJTSTB-UHFFFAOYSA-N 254.255 3.695 0 40 CHAB CCc1ccc(CC(=O)NCCSc2ccccc2)cc1 224097225 VRJWDIIERQSVDU-UHFFFAOYSA-N 299.439 3.700 0 40 CHAB CCCOc1c(C)cc(NC(=O)[C@](C)(CC)OC)cc1C 225604178 SNHCXKARRQZIFZ-KRWDZBQOSA-N 293.407 3.846 0 40 CHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)cc1 225617184 SDPGSBICGTUDRJ-INIZCTEOSA-N 279.380 3.619 0 40 CHAB Cc1ccc(C(=O)Sc2nnc(-c3ccco3)o2)cc1 408529448 JRELGIZENSNRFC-UHFFFAOYSA-N 286.312 3.571 0 40 CHAB CC(C)c1ccc2ccc(Br)c(N)c2n1 575423318 MFJAOUCQEFAPKW-UHFFFAOYSA-N 265.154 3.703 0 40 CHAB CO[C@H]1CCCN(C2CCCC2)[C@H]1Cc1ccc(F)cc1 1615193098 ZNXAXCPGCHAVKW-ROUUACIJSA-N 291.410 3.790 0 40 CHAB CC(C)[C@H]1COC(c2cccc(-c3ccccc3)n2)=N1 1857775605 UCJZWXYRFWPQSW-MRXNPFEDSA-N 266.344 3.550 0 40 CHAB CC(C)c1ccccc1-c1[nH]c(C=O)nc1Br 1857794664 GLQLKCGNNPNOCQ-UHFFFAOYSA-N 293.164 3.775 0 40 CHAB Oc1c(-c2cc(C(F)(F)F)[nH]n2)ccc2ccccc12 61024 UNXDMHYQIYIAMH-UHFFFAOYSA-N 278.233 3.954 0 40 CHAB COc1ccc(CN2C(=O)CCCc3ccccc32)cc1 1386966 ZQPOXVMDEZLNIE-UHFFFAOYSA-N 281.355 3.565 0 40 CHAB Cc1csc(Cn2c(C(F)(F)F)nc3ccccc32)n1 78879644 ZBHFSGVYYXZMDB-UHFFFAOYSA-N 297.305 3.868 0 40 CHAB C[C@@H]1CCCCCC[C@H]1OC(=O)c1ccccc1C(=O)O 1707467 LVNFNHCIECVTQR-IUODEOHRSA-N 290.359 3.901 0 40 CHAB Nc1ccc2c(c1Br)Cc1ccccc1-2 1724364 CLJDMMOFVCAEBN-UHFFFAOYSA-N 260.134 3.603 0 40 CHAB COc1ccccc1NC(=S)Nc1ccc(F)cc1C 6963985 QNKSFQNATVTNHN-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB O=C(O)c1c2c(nc3ccccc13)Cc1ccccc1-2 1754463 CQHFXANZULNUMS-UHFFFAOYSA-N 261.280 3.504 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1ccccc1Cl 36941540 QOSOQABLAQZIAU-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB O=C(Nc1ccc2ccccc2c1)[C@H]1C[C@H]2C=C[C@H]1C2 104104568 NRTDLBDAGJPCIU-NUTKFTJISA-N 263.340 3.991 0 40 CHAB CCN(CC)[C@@H](C)C(=O)C12CCC3C[C@H](C[C@@H](C3)C1)C2 102583938 RWYVMAIKRGMMHS-CFFMVQJASA-N 277.452 3.892 0 40 CHAB Cc1cccc2sc(NC(=O)CC[C@@H]3CCCO3)nc12 48274288 IGIPJYSFVGHQGJ-NSHDSACASA-N 290.388 3.502 0 40 CHAB CCN(CC(=O)Nc1ccccc1C)c1cccc(C)c1 62580210 RJKMXVFQEJCDFV-UHFFFAOYSA-N 282.387 3.768 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)c1ccc2cc[nH]c2c1 13624007 AFMULSHFZJQNCP-CQSZACIVSA-N 292.382 3.919 0 40 CHAB CSc1ncccc1C(=O)Nc1cccc(Cl)c1F 9453847 VTBDQQFUZYLFNK-UHFFFAOYSA-N 296.754 3.848 0 40 CHAB CC(C)c1ccc(C(=O)Nc2ccccc2O)cc1 9478284 VMTSUKZLARADBL-UHFFFAOYSA-N 255.317 3.768 0 40 CHAB CCOc1ccc([C@@H](CC)NC(=O)N[C@@H](C)CC)cc1 13746432 XXQGFNGBKJGQNM-SWLSCSKDSA-N 278.396 3.634 0 40 CHAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1cccs1 6259363 UYMCCEPWDPRIMY-UHFFFAOYSA-N 289.444 3.971 0 40 CHAB CCC(C)(C)NC(=O)c1cnc(-c2ccccc2F)s1 65443771 QQMHEBGGMWKWIO-UHFFFAOYSA-N 292.379 3.868 0 40 CHAB Cc1ccccc1C(=O)Nc1cccc2ncccc12 6451513 NDFMAVKDRCKCDX-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB c1ccc(CNc2nc(-c3ccc[nH]3)cs2)cc1 6948179 ZFLCLFKWDZDTML-UHFFFAOYSA-N 255.346 3.750 0 40 CHAB CC1CCN(Cn2nc(-c3cccs3)oc2=S)CC1 7074515 QYQHLESLJMQLLA-UHFFFAOYSA-N 295.433 3.623 0 40 CHAB C[C@@H](O)c1ccc(-c2ccc(CNCc3ccco3)o2)cc1 7541244 KHQZTDACFBNOGA-CYBMUJFWSA-N 297.354 3.883 0 40 CHAB CSc1ncccc1C(=O)Nc1ccc(C)c(F)c1 9762758 MVHKVWVWZRTAOP-UHFFFAOYSA-N 276.336 3.503 0 40 CHAB C[C@H](CCc1cccn1C)Nc1ccc(C(F)(F)F)cn1 97009748 WTMRXPRACOPIAE-LLVKDONJSA-N 297.324 3.872 0 40 CHAB O=c1oc(-c2ccccc2)nc2onc(-c3ccccc3)c12 28538938 DDLVEGOAMKVLAS-UHFFFAOYSA-N 290.278 3.510 0 40 CHAB Cc1nc(CN[C@@H](C)c2cc3cc(Cl)ccc3o2)no1 97112287 CESONMLCMNEFRV-QMMMGPOBSA-N 291.738 3.628 0 40 CHAB COc1ccnc(CSCc2ncoc2C(C)C)c1 97161796 NLNBPYZCQDHDRM-UHFFFAOYSA-N 278.377 3.635 0 40 CHAB Cc1ccc(C(=S)N2CCc3ccccc3C2)cc1 409206145 MNMRYIKGBKNLSX-UHFFFAOYSA-N 267.397 3.729 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cc(C)on1 31095001 KBCTZXMMPWXUSA-LLVKDONJSA-N 291.376 3.586 0 40 CHAB CC1(C)COc2cc(NCc3n[nH]c4ccccc34)ccc21 527746340 SDAGFMAJWUDBHR-UHFFFAOYSA-N 293.370 3.845 0 40 CHAB CC(C)(C)Sc1ccc([C@H]2CCCCN2)cn1 72217374 XXMIDJNGHNKXOI-GFCCVEGCSA-N 250.411 3.787 0 40 CHAB OC1=Nc2ccsc2[C@H](c2ccc(O)cc2)SC1 71279664 GVYMTRAIMXAKCN-LBPRGKRZSA-N 277.370 3.878 0 40 CHAB Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1F 32905306 HTCWRMARUWGKDV-QGZVFWFLSA-N 283.346 3.894 0 40 CHAB CC[C@@H](NC(=O)COc1cc(C)ccc1C)c1ccccc1 36562625 PRPBECPGTQIYKQ-QGZVFWFLSA-N 297.398 3.950 0 40 CHAB CC(C)(C)Sc1ccc(I)nc1 72225942 YVFJOOBCGSOVKC-UHFFFAOYSA-N 293.173 3.577 0 40 CHAB Cc1cc(C)c2[nH]c(-c3ccc(N)c(C)c3)nc2c1 70462797 MPQFLAKYTVOVAA-UHFFFAOYSA-N 251.333 3.737 0 40 CHAB Clc1ccc(-c2nnc(-c3cnc(C4CC4)nc3)o2)cc1 216607295 OMKDQVDNOUYUEB-UHFFFAOYSA-N 298.733 3.724 0 40 CHAB Clc1nc(SCCCc2ccccc2)ns1 71980791 NZKDRHAIKIXJOW-UHFFFAOYSA-N 270.810 3.916 0 40 CHAB O=C(NCCSCc1cccc(Cl)c1)C1CCCC1 225878113 CGZZSDPESMQKBY-UHFFFAOYSA-N 297.851 3.880 0 40 CHAB CCOc1ccc(C(=O)NC(CC)CC)cc1Cl 225039960 MQKRZAAXAIOPGN-UHFFFAOYSA-N 269.772 3.657 0 40 CHAB C[C@H]1[C@@H](C)SCCN1C(=O)Nc1ccc2[nH]ccc2c1 89920025 SXWIXQYZKHOXEZ-WDEREUQCSA-N 289.404 3.526 0 40 CHAB CC(C)c1c[nH]c2ccc(OC(F)(F)F)cc2c1=O 197865673 GUBBCVYEMGEHOQ-UHFFFAOYSA-N 271.238 3.550 0 40 CHAB C[C@H]1C[C@H](c2ccsc2)CN1Cc1ccncc1 95401542 DJPDQXZFCVTWSO-WFASDCNBSA-N 258.390 3.521 0 40 CHAB O=Cc1cccc(OCc2ccc(Cl)cc2F)c1 95738612 CFYXWVFKTCKVAB-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB Nc1ccccc1[C@@H](O)CCc1ccc(Cl)cc1 242543484 KBMNYMZEEGMPEE-HNNXBMFYSA-N 261.752 3.588 0 40 CHAB CC(C)(C)C(=O)NCc1cccc(Oc2ccccn2)c1 96382379 NFVAVXOCLDUCRN-UHFFFAOYSA-N 284.359 3.536 0 40 CHAB Cc1cccc(/C=C2\N=C(c3ccc(F)cc3F)OC2=O)c1 12806285 DOXVBWDIQVPPJP-NVNXTCNLSA-N 299.276 3.618 0 40 CHAB CCCCOc1ccccc1C(=O)NCc1ccccc1 14031997 BUEBBLHTKAXPCD-UHFFFAOYSA-N 283.371 3.796 0 40 CHAB CC(C)(C)c1ccc(-c2cccc3[nH]nnc23)c(O)c1 19419529 KLCFYQSVWZJEMP-UHFFFAOYSA-N 267.332 3.628 0 40 CHAB Cc1ccc(-n2nc3c(=S)[nH]nc(C)c3c2C)cc1C 19810794 ROGZRQUACWZNBJ-UHFFFAOYSA-N 284.388 3.712 0 40 CHAB COc1ccc(OC)c(-c2nc3ccccc3s2)c1 204420863 PIVWFGDWWVZUPA-UHFFFAOYSA-N 271.341 3.981 0 40 CHAB Clc1ccc2oc(N3C[C@H]4CCC[C@@H]4C3)nc2c1 1889119577 MVCITRUBETZKFP-NXEZZACHSA-N 262.740 3.718 0 40 CHAB O=C(NCc1ccc(-c2cccs2)o1)c1cccs1 575608023 HSUDDKDKQUGXOI-UHFFFAOYSA-N 289.381 4.000 0 40 CHAB CCOc1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 37080 OHWZVLWMEWGHAS-UHFFFAOYSA-N 299.370 3.665 0 40 CHAB Cc1c(F)cccc1NC(=O)Nc1cccc(F)c1 51354483 KEVQSKMYNQZDMI-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB Cc1csc(NC(=O)COc2ccc3ccccc3c2)n1 361000 QJWKSMPQJNKRLM-UHFFFAOYSA-N 298.367 3.622 0 40 CHAB O=C(c1ccoc1)N1CCC[C@H]1c1ccc(Cl)cc1 32796222 DVQUGABECCJRRF-AWEZNQCLSA-N 275.735 3.910 0 40 CHAB O=C(NCC1(c2ccccc2)CCC1)c1cc(Cl)c[nH]1 32882358 PDDIKOFGURVTTN-UHFFFAOYSA-N 288.778 3.520 0 40 CHAB CC(=O)N1C(=O)C[C@H](c2ccccc2)Sc2ccccc21 85003 USUHRZZSPCYSGL-MRXNPFEDSA-N 297.379 3.803 0 40 CHAB Cc1c(Cl)cccc1N[C@H]1OC(=O)c2ccccc21 91769 IMZUEPVAGYCXHE-AWEZNQCLSA-N 273.719 3.930 0 40 CHAB Cc1c(Cl)cccc1NC(=O)NCCC(C)C 1640299 IHOBWWQDDMMGCP-UHFFFAOYSA-N 254.761 3.816 0 40 CHAB Cc1ccc(C(=O)c2ccccc2CN2CCC2)cc1C 2515619 XIMMJDJEBBBHSO-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)CCc2c[nH]c3ccccc23)C1 32031341 WSZZAOSAGCQOJG-DZGCQCFKSA-N 284.403 3.795 0 40 CHAB Cc1cccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 45948880 YLPJYTXVQRDULX-GOEBONIOSA-N 290.407 3.712 0 40 CHAB C[C@H]1CC[C@H](C)N1CCCCN1[C@@H](C)CC[C@H]1C 4721814 KQJBXZGQUIZKMR-YHUYYLMFSA-N 252.446 3.512 0 40 CHAB CCN(C(=O)CSCc1ccccc1)c1ccccc1 6311605 NBJXZOBFXQNHLF-UHFFFAOYSA-N 285.412 3.973 0 40 CHAB Cc1cccc(C(=O)Nc2nnc(SC(C)C)s2)c1 7321731 LZYHKNVGCAJHDP-UHFFFAOYSA-N 293.417 3.599 0 40 CHAB Cc1c(C(F)(F)F)cc(C(F)(F)F)c(C)c1N 350874 XHIYKMJTKFYZML-UHFFFAOYSA-N 257.177 3.923 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(F)c2)cc1C 8040841 CRFAMBIXBFMPLY-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB Cc1c(C(=O)N2CCCC2)oc2ccc(Cl)cc12 32737958 KXPQMOBESYEGEW-UHFFFAOYSA-N 263.724 3.631 0 40 CHAB Cc1ccc(CCC(=O)NCc2ccc(C)cc2)cc1 10338595 UTBNDRPSOGAYKW-UHFFFAOYSA-N 267.372 3.552 0 40 CHAB Cc1noc(C)c1CN1CCCc2c(F)cc(F)cc21 29918636 MQAFDESBVJKEDH-UHFFFAOYSA-N 278.302 3.522 0 40 CHAB CCSc1ncc(-c2ccc(Br)cc2)[nH]1 22263848 XRIHNXZCHGOSIV-UHFFFAOYSA-N 283.194 3.951 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)c2cnc(Cl)c(Cl)c2)C1 37251159 CSSJFELVEGWOJH-SCZZXKLOSA-N 287.190 3.697 0 40 CHAB CC(C)OC(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 23325658 NLNFUSUTAHSPOV-CYBMUJFWSA-N 287.359 3.547 0 40 CHAB CCCc1nc(CN(Cc2ccc(CC)cc2)C2CC2)no1 54989388 HLYFXGHTGMAZIB-UHFFFAOYSA-N 299.418 3.749 0 40 CHAB CN(Cc1ccsc1)C(=O)c1c[nH]c2ccccc12 35137144 CQIZMTPURXDUDI-UHFFFAOYSA-N 270.357 3.502 0 40 CHAB C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(C)C 3348205 BVVIAPFNMJLRET-ZCFIWIBFSA-N 295.597 3.535 0 40 CHAB Cn1c2ccccc2n2cc(-c3ccc(F)cc3)nc12 8462801 QXMHUIMCMWCNSI-UHFFFAOYSA-N 265.291 3.632 0 40 CHAB CSc1ccccc1C(=O)N[C@H]1CCCc2occc21 12905643 MPFXBNVFDWKJRW-ZDUSSCGKSA-N 287.384 3.809 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1Cl 3581301 ZLRZBKKHAFRXCY-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB CCCCOCn1c[n+](Cc2ccccc2)c2ccccc21 39131705 ZQUUUPGNTKRLPO-UHFFFAOYSA-N 295.406 3.751 0 40 CHAB CCCOc1cccc([C@H](C)NC(=O)N[C@H](C)CC)c1 13745943 KBAIEACSPFXPMH-OLZOCXBDSA-N 278.396 3.634 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Cl)nc2)c(Cl)c1 6272374 SEAZEBSYPHTTSJ-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB CCn1nc(C)cc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 28246214 ZWBIMZVJWPCFJE-UHFFFAOYSA-N 296.374 3.562 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1F 14246174 RJBMRDNBYHDTEL-SNVBAGLBSA-N 293.288 3.903 0 40 CHAB CC(C)O[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccccc1 8952276 IFUXNCVYYVXJOX-GOSISDBHSA-N 285.387 3.651 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(/C=C2\N=C(c3cccs3)OC2=O)o1 8111619 RLBXTXHMPBIEPO-DGEAUNFPSA-N 299.351 3.809 0 40 CHAB CC(C)c1ccc(CS[C@@H](C)C(=O)NC2CC2)cc1 71818608 HLAXUHNHSZIPPH-LBPRGKRZSA-N 277.433 3.710 0 40 CHAB CCCCN(C)C(=O)c1ccccc1NC(=O)CC(C)C 72311831 CLGHIQWZLDCSAQ-UHFFFAOYSA-N 290.407 3.543 0 40 CHAB Cc1ccc([C@H](C)NCCc2ncc(C)s2)s1 95968532 SVXPDOZJOSRSFS-NSHDSACASA-N 266.435 3.715 0 40 CHAB CCCC[C@H](Nc1nn2cc(C)nc2s1)C1CCC1 79093280 RJMTUJTVKQHHSS-LBPRGKRZSA-N 278.425 3.870 0 40 CHAB Cc1cccc(Nc2nc(C)c(C(=O)O)s2)c1C 20156531 SSTVZRRAEGRYNU-UHFFFAOYSA-N 262.334 3.510 0 40 CHAB Cc1ccc(NC2=CC(=O)N(c3ccccc3C)C2)cc1C 217424354 YTFFSURRHDRYGW-UHFFFAOYSA-N 292.382 3.954 0 40 CHAB CC(C)[C@@H]1CCCN1C(=O)c1ncoc1-c1cccs1 78661679 DNEUACWAAZDLLX-NSHDSACASA-N 290.388 3.664 0 40 CHAB COC(=O)c1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1 225639507 AAZXPBFRVXZZSF-UHFFFAOYSA-N 297.354 3.651 0 40 CHAB CC(C)(C)c1noc2c(Br)cccc12 228942802 NISYZLTXDPUDOL-UHFFFAOYSA-N 254.127 3.888 0 40 CHAB CC(C)(C)c1ccc(Cc2ccc(C(=O)O)o2)cc1 84130839 ZRBYFUKYXHBYCI-UHFFFAOYSA-N 258.317 3.866 0 40 CHAB Cc1cc(Br)ccc1OCCC1CCNCC1 42773782 NPECQUXWOJOKSW-UHFFFAOYSA-N 298.224 3.526 0 40 CHAB Brc1cc(Br)c2ncsc2c1 44713324 IIQFYLMDHBRKCK-UHFFFAOYSA-N 292.983 3.821 0 40 CHAB CCn1cc(OCc2nc(-c3cccs3)oc2C)cn1 193548147 SQMISMSSSVWPFA-UHFFFAOYSA-N 289.360 3.507 0 40 CHAB CC[C@H](Oc1ccccc1F)C(=O)NCC1CCCCC1 224618040 NAAYLIABZSBTNO-HNNXBMFYSA-N 293.382 3.680 0 40 CHAB Cc1nccn1-c1ccc(Br)cc1Cl 95915867 ZWCKRGYJPVDTNT-UHFFFAOYSA-N 271.545 3.597 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)N(Cc2cccnc2)C2CC2)C1(C)C 53472442 TXYRIVDORJRCGG-DLBZAZTESA-N 298.430 3.811 0 40 CHAB CN(Cc1cscn1)Cc1ccccc1Br 49801007 JFPPFLQRTAFMCF-UHFFFAOYSA-N 297.221 3.538 0 40 CHAB COc1cc(CNc2ccccc2C)cc(Cl)c1O 76273902 XUAILXXUZKJKNH-UHFFFAOYSA-N 277.751 3.975 0 40 CHAB O=Cc1cc2c(s1)-c1cc(Cl)ccc1OC2 165320 XXDVPOYQPCCYNS-UHFFFAOYSA-N 250.706 3.773 0 40 CHAB CCCCNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14398669 HXAPTLMFRLNYKE-GFCCVEGCSA-N 283.799 3.640 0 40 CHAB C[C@@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1 15744780 HRWMLGDNGYEPLZ-LBPRGKRZSA-N 273.763 3.874 0 40 CHAB CCCCCCNC(=S)N1c2ccccc2C[C@@H]1C 16638089 ASVKLQXXYXCNPI-ZDUSSCGKSA-N 276.449 3.892 0 40 CHAB C(=C/c1cnc(-c2ccccc2)s1)\c1ccncn1 157320426 URTKOWXAVLSBGL-VOTSOKGWSA-N 265.341 3.771 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc2ccccc21 1775996325 XDGBMLNKFXQDAZ-CALCHBBNSA-N 294.398 3.741 0 40 CHAB COc1cc(Cl)c(NCc2c(C)noc2C)cc1OC 26784229 FWKDYGMTTGSURT-UHFFFAOYSA-N 296.754 3.574 0 40 CHAB Cc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 176753 LRZBOLCPJKRFEC-GDNBJRDFSA-N 297.741 3.993 0 40 CHAB CCCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 4032226 GPBJXYRASXEOTK-UHFFFAOYSA-N 279.343 3.969 0 40 CHAB O=C(/C=C/c1ccccc1)N[C@@H]1CCCc2ccccc21 1456409 KEILRQNJLXIUMO-KAUXGEHWSA-N 277.367 3.894 0 40 CHAB CC(C)CN(C(=O)Nc1ccccc1F)C(C)C 40153505 KFGBSMATCWSGPL-UHFFFAOYSA-N 252.333 3.724 0 40 CHAB CC(C)c1ccc([C@H](O)Cc2nc3ccccc3n2C)cc1 170110 GLYNSEYXIIEMFQ-GOSISDBHSA-N 294.398 3.973 0 40 CHAB Brc1ccc(N2Cc3ccccc3C2)cc1 99023 AOTLWDQSZSDCEF-UHFFFAOYSA-N 274.161 3.969 0 40 CHAB COc1cc(N)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 569974 KKMJLZDHCIIMSG-UHFFFAOYSA-N 298.386 3.827 0 40 CHAB COc1cccc(C(=O)OCc2ccc(Cl)cc2)c1 1972397 UANZITCZPKKYSQ-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB Cc1ccsc1/C=C/c1cc(C(F)(F)F)nc(O)n1 4009751 VZBVPRHRTLCQHG-NSCUHMNNSA-N 286.278 3.741 0 40 CHAB O=C1c2ccccc2C(=O)N1c1ccc(Cl)cc1Cl 243220 YGVRZPDPDDFDLR-UHFFFAOYSA-N 292.121 3.794 0 40 CHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2)cc1 7294642 NGDJMOQONZVACH-LBPRGKRZSA-N 287.384 3.815 0 40 CHAB COc1cccc(C=O)c1Nc1ccc(C)cc1C 8703698 YNNYEIMZYJXOLX-UHFFFAOYSA-N 255.317 3.868 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 364779 RLBRGEOCFUZKEI-AWEZNQCLSA-N 269.344 3.709 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)n2cccc/c2=N\C(C)C)C1(C)C 102191182 VIGSRIKCSUPDBH-QDULZYARSA-N 286.419 3.676 0 40 CHAB C[C@@H](NC(=O)c1ccccc1F)c1ccc2c(c1)CCC2 53387386 JXYGEZUFHMGIQH-GFCCVEGCSA-N 283.346 3.805 0 40 CHAB C[C@H](NC(=O)NCC1CC1)c1ccc2ccccc2c1 32909476 MJARMSRMVFPRCD-LBPRGKRZSA-N 268.360 3.610 0 40 CHAB COc1cc([C@H]2OC[C@@H]3[C@H](C)C=C(C)[C@@H]2[C@@H]3C)ccc1O 100314209 SOHWVJPJRLXISV-IWTOIMFPSA-N 288.387 3.937 0 40 CHAB O=C(O)c1cc(-c2ccc(/C=C\[N+](=O)[O-])o2)ccc1Cl 33317315 RVIQQHUTESHFRT-WAYWQWQTSA-N 293.662 3.546 0 40 CHAB CCOc1cccc(NC(=O)CCc2ccc(F)cc2)c1 55767959 QRRKEPGWCQKDPT-UHFFFAOYSA-N 287.334 3.796 0 40 CHAB CC(=O)O[C@]12Cc3ccccc3[C@H]3[C@@H](c4ccccc41)[C@@H]32 101043442 PCAWJPSEUIOFNG-WJFTUGDTSA-N 276.335 3.512 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cc(F)ccc2F)c1 22564815 VZHUZZYVJWMMKE-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB O=C(Nc1ccccc1)c1ccc(-c2cnco2)cc1 47409756 NBURGAPIMNBPET-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB CC(=O)c1cnc(Nc2ccccc2Cl)s1 1399956 SPJJIGJHEBKBHQ-UHFFFAOYSA-N 252.726 3.743 0 40 CHAB Cc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1 12544957 XGVKPBAOYGBUAV-INIZCTEOSA-N 281.359 3.759 0 40 CHAB CCC[C@H](CN1CCC[C@H]([C@H](C)O)C1)c1ccccc1 108176434 FXTDLOQKWDLYFF-RYQLBKOJSA-N 275.436 3.663 0 40 CHAB CCCN(CC1CC1)C(=O)Nc1cccc(Cl)c1 58004017 BDJAQXNMAZTMEV-UHFFFAOYSA-N 266.772 3.994 0 40 CHAB CCCN(Cc1ccccc1)Cc1c(C)nn(C)c1Cl 58161619 LUHPOLMNBTZYFT-UHFFFAOYSA-N 291.826 3.794 0 40 CHAB CC(=O)c1c(Nc2cccc(C)c2C)oc(C)cc1=O 27525510 ILXGAHDHLSGYHH-UHFFFAOYSA-N 271.316 3.511 0 40 CHAB CC(=O)c1ccc(NCc2nc(-c3cccs3)no2)cc1 12633084 YWIXMCJZJADNKS-UHFFFAOYSA-N 299.355 3.613 0 40 CHAB Cc1ccc([C@H](C)NC(=O)NCc2ccc(Cl)s2)o1 48062417 KQYRUMCQPTVIHH-VIFPVBQESA-N 298.795 3.863 0 40 CHAB CC(=O)c1c(F)cccc1NCCN(C(C)C)C(C)C 58304036 ITTSYZCQBVUMBE-UHFFFAOYSA-N 280.387 3.559 0 40 CHAB CC(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 3349842 ZZWRYLGYRINEJN-UHFFFAOYSA-N 293.417 3.580 0 40 CHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(F)c(F)c1 12769902 NHBUMBCCWCKTNY-UHFFFAOYSA-N 287.187 3.634 0 40 CHAB c1ccc(-c2cc3c(N4CCC4)ncnc3s2)cc1 12812555 VQAPLERYDXBHJB-UHFFFAOYSA-N 267.357 3.568 0 40 CHAB Cc1ccccc1COc1ccc2ccc(=O)oc2c1 3493764 QTTGPXWAWSRTSF-UHFFFAOYSA-N 266.296 3.680 0 40 CHAB CC(C)Oc1ccccc1/C=C1\SC(=S)N=C1O 17008158 BBIHLIJOGGGVLQ-XFFZJAGNSA-N 279.386 3.803 0 40 CHAB in-vitro Cc1ccc(CNC(=O)Nc2ccc(C)c(F)c2)cc1 13320164 NIZRQMJCKCJIAL-UHFFFAOYSA-N 272.323 3.764 0 40 CHAB c1ccc(CSc2nc3c4ccccc4ncn3n2)cc1 7786547 WWTVHPVWFXRNEX-UHFFFAOYSA-N 292.367 3.570 0 40 CHAB CCCCN1C(=O)S/C(=C\c2cccs2)C1=O 6264292 WBTPWMJNNXEDAE-NTMALXAHSA-N 267.375 3.585 0 40 CHAB CCCCN(CCO)C(=O)Nc1c(C)cccc1C(C)C 65554594 UGCNLRZEXNCVAD-UHFFFAOYSA-N 292.423 3.745 0 40 CHAB CC(C)CCC[C@@H](C)NC(=O)c1ccccc1S 6509756 LYVBOMHWUCLRQI-GFCCVEGCSA-N 265.422 3.920 0 40 CHAB CN(C)c1cccc(Oc2ccc(Cl)cc2N)c1 14629386 BOVHGUOBSFDJAP-UHFFFAOYSA-N 262.740 3.781 0 40 CHAB CCOc1ccc(CNc2ccc(F)cc2)cc1OC 4739739 CAURLAQITBJTKY-UHFFFAOYSA-N 275.323 3.845 0 40 CHAB CC1CCC(N2CCC(N3CCCCC3)CC2)CC1 4745790 NMGLLWUAOMJJLG-UHFFFAOYSA-N 264.457 3.515 0 40 CHAB O=C(Nc1ccc2c(c1)CCN2)c1coc2ccccc12 70392984 LWXKEAPYJBZCDT-UHFFFAOYSA-N 278.311 3.653 0 40 CHAB O=C(Cc1coc(-c2ccccc2)n1)NC1CCCCCC1 27447266 YVNGYMPDSRNAIE-UHFFFAOYSA-N 298.386 3.723 0 40 CHAB Cc1cncc(N[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 97038332 JDJBXAZATQUNMU-ZDUSSCGKSA-N 297.358 3.520 0 40 CHAB Cc1nc(Cl)cc(N[C@@H]2C[C@]2(C)c2ccccc2)n1 72302124 ZNVLACNGVCRGMH-IUODEOHRSA-N 273.767 3.581 0 40 CHAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(F)(F)F 79098648 QGRHKYKCFPSYRY-LURJTMIESA-N 291.273 3.654 0 40 CHAB C[C@@H](Cc1ccccc1)NC/C=C/c1ccccc1 62185972 NMMSKGCUFGCREC-OIQJVACTSA-N 251.373 3.921 0 40 CHAB C[C@@H]1C(=O)[C@@H](C)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 4016124 KRIROHZWSALYAG-DFEHZGFQSA-N 279.383 3.914 0 40 CHAB Cc1ccc(CNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 30864436 DFUBWXCJCKHMPC-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB Cc1ccc2cccc(I)c2c1 71256759 RYYURXRXGCCPOP-UHFFFAOYSA-N 268.097 3.753 0 40 CHAB Cc1ccc2c(c1)OC=CC(C(=O)NCc1ccccc1)=C2 33321302 MDYCLQYJOWPMQP-UHFFFAOYSA-N 291.350 3.601 0 40 CHAB CC[C@@H](Oc1ccccc1F)C(=O)NCC1CCCCC1 224617988 NAAYLIABZSBTNO-OAHLLOKOSA-N 293.382 3.680 0 40 CHAB CCOC(=O)c1ccc(Cl)cc1C(F)(F)F 44201003 KBLCHLKFRRSXGA-UHFFFAOYSA-N 252.619 3.536 0 40 CHAB Cc1ccc(N(C)C(=O)c2cc(F)ccc2F)cc1C 222968372 ZRWXGEYARPAWNL-UHFFFAOYSA-N 275.298 3.858 0 40 CHAB Cc1cccc(C)c1C(=O)c1ccc(C2OCCO2)cc1 43212653 BIXMGGXAHGPDJA-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB CCOc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1 223374863 NRKGCTCBGAZNQK-UHFFFAOYSA-N 297.398 3.836 0 40 CHAB CCOC(=O)CCCCOc1ccc(F)cc1Cl 95733823 XBIGSFXIKKRQIO-UHFFFAOYSA-N 274.719 3.591 0 40 CHAB FC(F)C(F)(F)Oc1cccc(-c2ccccn2)c1 95740164 SZCILGLYXRAIKT-UHFFFAOYSA-N 271.213 3.985 0 40 CHAB Clc1ccc2c(c1)N[C@@H](c1ccc3c(c1)OCO3)CO2 96531186 HFYDEZIFYAZRIG-GFCCVEGCSA-N 289.718 3.614 0 40 CHAB CCOC(=O)CC(=O)c1ccc(Cl)c(Cl)c1Cl 95890260 NBDYRXDDLHMBLZ-UHFFFAOYSA-N 295.549 3.783 0 40 CHAB COC(=O)C(C)(C)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260622385 TVMHMTRGGFMRFY-LLVKDONJSA-N 293.382 3.870 0 40 CHAB COC(=O)[C@@H](C)N1c2cc(Cl)ccc2[C@H](C)CC1(C)C 260714666 DRDKTBPPDHCOIQ-GHMZBOCLSA-N 295.810 3.994 0 40 CHAB CC(C)N1c2ccc(C(=O)O)cc2[C@H](C)CC1(C)C 260725524 XSSYOTDKZLYURG-LLVKDONJSA-N 261.365 3.885 0 40 CHAB O=C(O)CCCC(=O)c1ccc(SC(F)(F)F)cc1 95740231 KZXUKIDQQXVPTA-UHFFFAOYSA-N 292.278 3.736 0 40 CHAB Cc1cc(C)cc(C(=O)[C@@H](O)c2cc(C)cc(C)c2)c1 16922490 NNYXPVWEXDNQBJ-KRWDZBQOSA-N 268.356 3.837 0 40 CHAB Cc1cc(COC(=O)c2occc2-c2ccccc2)no1 12820242 PQCMQFJILIRHAJ-UHFFFAOYSA-N 283.283 3.600 0 40 CHAB S=c1oc2ccccc2n1CSC1=NCCS1 5395262 BADCIRZRSZJHMV-UHFFFAOYSA-N 282.415 3.757 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 13989028 HYSWNVVEOCZNBE-CQSZACIVSA-N 269.344 3.709 0 40 CHAB CC(=O)c1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)s1 12984696 YLFDQTCTSQPXSP-AWEZNQCLSA-N 299.395 3.710 0 40 CHAB Fc1ccccc1CCNCc1ccc(Cl)cc1 19912590 AEVAZWOSCALRAE-UHFFFAOYSA-N 263.743 3.811 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2)c1C 31663039 FOSRXVZOCVEKIR-CQSZACIVSA-N 269.344 3.709 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)C12CC3CC(CC(C3)C1)C2 6183175 WKNPJADWMJGKKT-DAZFMJRUSA-N 275.436 3.992 0 40 CHAB CCOc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(F)C2 1775967299 LDMYDHOHSZRUKI-STQMWFEESA-N 292.354 3.582 0 40 CHAB CCCC(=O)c1ccccc1OC(F)(F)C(F)F 575242617 AJNXIOZMQSXXAT-UHFFFAOYSA-N 264.218 3.906 0 40 CHAB Cc1ccc([C@H](C)NC(=O)CSc2cccs2)o1 40086615 YFAJEIGJBOQJHS-JTQLQIEISA-N 281.402 3.619 0 40 CHAB Cc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12 180453 RWRWRNYXEIXRAR-UHFFFAOYSA-N 294.383 3.811 0 40 CHAB CCCc1c(C)nc2scc(-c3ccccc3)n2c1=O 72864 JJHHZEZSSONYJU-UHFFFAOYSA-N 284.384 3.684 0 40 CHAB CCOC(=O)c1cc(-c2cc(Cl)ccc2Cl)on1 1857794153 YVSMANQLYGMNTM-UHFFFAOYSA-N 286.114 3.825 0 40 CHAB Cc1ccc(SCc2ccc(C(=O)N(C)C)cc2)cc1 571708 QVYMOGXVTMQOPO-UHFFFAOYSA-N 285.412 3.989 0 40 CHAB Brc1ccc2c(c1)-c1ccccc1C1=NCCN12 1727998 GGTUYXVFIHQMPI-UHFFFAOYSA-N 299.171 3.696 0 40 CHAB O=C(Nc1cccc(F)c1)N1CCCCCCC1 20515055 MNYHNOUVHNZGQL-UHFFFAOYSA-N 250.317 3.624 0 40 CHAB Cc1ccc2[nH]c(SCc3cccnc3)nc2c1 6276193 GXSAWFYNKYXZMG-UHFFFAOYSA-N 255.346 3.559 0 40 CHAB CCCCCNC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8492423 JHNNXUZGZYKNJY-CQSZACIVSA-N 283.799 3.804 0 40 CHAB Cc1nc(NCc2ccco2)c2cc(C)sc2n1 8662495 UQZACVUDTUIEMI-UHFFFAOYSA-N 259.334 3.513 0 40 CHAB O=C1OC(c2ccccc2)=N[C@]12C[C@@H]2c1ccc(Cl)cc1 356613 ASJFWVSQCXWGOU-PBHICJAKSA-N 297.741 3.570 0 40 CHAB COc1ccccc1NC(=O)c1cccc(CSC)c1 21216642 QASMCIGLTLTWCQ-UHFFFAOYSA-N 287.384 3.811 0 40 CHAB Oc1c(-c2cnc3ccccc3n2)oc2ccccc12 104865066 SCDCLQLAGGWBJJ-UHFFFAOYSA-N 262.268 3.749 0 40 CHAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102357961 QUJZFJXDSGVKPG-WSMBLCCSSA-N 296.414 3.651 0 40 CHAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 32895217 JAKOICQHRPAZKN-RYUDHWBXSA-N 277.330 3.804 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C)c(C)c1 32906644 TZUNHNWMAJALDB-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Cc1sc2ncn3nc(-c4ccc(F)cc4)nc3c2c1C 2789942 MVYWVFMMLHBAIS-UHFFFAOYSA-N 298.346 3.762 0 40 CHAB CCc1nc(C)c(-c2nc(CCc3ccccc3)no2)s1 83830238 CQEDOOBGUUTZIN-UHFFFAOYSA-N 299.399 3.849 0 40 CHAB COc1ccc(NC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101013815 WWVGSAHKMLYXBR-BRXULGCHSA-N 288.391 3.641 0 40 CHAB CC(C)(C)CC(C)(C)NC(=O)CCc1ccccc1 57156173 VLJDVLAECPARJQ-UHFFFAOYSA-N 261.409 3.950 0 40 CHAB Cc1sc(-n2cccc2)c(C(=O)Nc2cccnc2)c1C 23607071 HFKPXYAZCUIOQM-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB O=C(c1ccoc1)N1CCCc2cc(C(F)(F)F)ccc21 24472274 GUDIBCWGBGBSIB-UHFFFAOYSA-N 295.260 3.891 0 40 CHAB Cc1ccc(NC(=O)CC2(C(=O)O)CCCC2)c(Cl)c1 12685956 OYSHVJLUTZMALT-UHFFFAOYSA-N 295.766 3.622 0 40 CHAB CCC(CC)n1ccc(C(=O)O[C@H](C)c2ccccn2)n1 89943259 RCGDILYAZCALRE-GFCCVEGCSA-N 287.363 3.557 0 40 CHAB CCSc1nnc(-c2ccco2)n1Cc1ccccc1 3329321 QMOGFYCWEOGYKE-UHFFFAOYSA-N 285.372 3.698 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3cccnc3)no2)cc1C 27795792 POFFUWGGRFGWHH-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CCOc1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 3457547 RPHNHKANLSEMSD-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB CC(C)C[C@H](NCc1ccc(-c2ccccc2)cc1)C(=O)O 62717971 YNRDCKLNWZWTRY-SFHVURJKSA-N 297.398 3.943 0 40 CHAB Clc1cnc2nc(SCc3ccccc3)[nH]c2c1 5460849 SJZBQZCLGGRVST-UHFFFAOYSA-N 275.764 3.904 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1ccccc1OC 4666162 AUQMFBHDGMPFQQ-CYBMUJFWSA-N 263.381 3.641 0 40 CHAB CCn1c([C@@H](C)N2CCCCC2)nc2ccccc21 6745984 CGPXQHLRSFVUHO-CYBMUJFWSA-N 257.381 3.603 0 40 CHAB Cc1ccccc1NC(=O)c1ccc(F)c(F)c1F 28210567 CUULSCSPLQDGBZ-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB CCC[C@H](C)NC(=O)CSCc1ccc(C)cc1 6946812 OURYJBFCBISFHS-ZDUSSCGKSA-N 265.422 3.533 0 40 CHAB CCc1ccc(C(=O)Nc2cc(C)ccc2F)cc1 15965299 IEALTQFELMZWNN-UHFFFAOYSA-N 257.308 3.949 0 40 CHAB COc1ccc(-c2c(-c3ccccc3)sc(=N)n2C)cc1 409225713 OESWKSFTLXTNHQ-UHFFFAOYSA-N 296.395 3.909 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCCC[C@@H]1c1nccs1 72272078 PTGUTCQEAUJJFZ-CHWSQXEVSA-N 276.405 3.553 0 40 CHAB Cc1ccc([C@@H](NC(=O)Nc2nccs2)C(C)(C)C)o1 72284977 VSQHCOVGIRMGPN-LLVKDONJSA-N 293.392 3.953 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1 20485231 OJWVPCXKGGMKTO-MRXNPFEDSA-N 287.334 3.930 0 40 CHAB CSc1ccc([C@H](C)NCc2cscn2)cc1F 95967546 LVUJSHIRRKNHPU-VIFPVBQESA-N 282.409 3.855 0 40 CHAB CCC(=O)N1c2ccccc2[C@H]2OCC[C@@H]2[C@@H]1c1ccco1 4044931 GMILVLBJMWHFQE-FSPWUOQZSA-N 297.354 3.855 0 40 CHAB CCCN1CCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 72218801 MZCXUCMLZYRULS-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB Cc1ccccc1-c1nnc(-c2cnc(C(C)C)nc2C)o1 216601974 MVEHNIBUHIPPCR-UHFFFAOYSA-N 294.358 3.934 0 40 CHAB CCc1ccc(CNC(=O)c2ccc(SC)cc2)s1 36394028 UFKRRTYEJWLMDI-UHFFFAOYSA-N 291.441 3.962 0 40 CHAB COc1c(Cl)cc(Cl)cc1C(=S)N1CCCC1 33825553 MMVBZGCFVHFCDE-UHFFFAOYSA-N 290.215 3.773 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(Br)nc1 72211559 RORVVFQIAPPTPP-LBPRGKRZSA-N 283.213 3.781 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)C1CCCCC1 30758297 HOIBXDXAAFSHCU-MRXNPFEDSA-N 289.419 3.944 0 40 CHAB Cc1c([C@@H]2OC(=O)c3ccccc32)c2ccccc2n1C 33867934 WGKBOZPFMZYQRK-QGZVFWFLSA-N 277.323 3.747 0 40 CHAB CC12CCC(I)(CC1)CC2 136406765 IGUYKVOVKVFKGR-UHFFFAOYSA-N 250.123 3.534 0 40 CHAB Cc1ccc(-c2cc(-c3ccco3)nc(N)n2)cc1C 71978306 OLACXEAZXDLIJW-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CCSc1nc(N)cc(Nc2ccc(C)c(C)c2)n1 49467470 UTKRIBZQXBMSTO-UHFFFAOYSA-N 274.393 3.531 0 40 CHAB Cc1ccc(CCC(=O)NCc2ccccc2C)cc1C 225721250 YZHDWQHUBTZHLY-UHFFFAOYSA-N 281.399 3.861 0 40 CHAB CCCO[C@@](C)(C(=O)Nc1ccc(OC)c(C)c1)C1CC1 225673196 TYGLWJPZERYXAV-QGZVFWFLSA-N 291.391 3.537 0 40 CHAB COc1ccc(CCC(=O)NC(C(C)C)C(C)C)cc1C 225777595 KEZMRZDFDYKLGW-UHFFFAOYSA-N 291.435 3.733 0 40 CHAB Cc1cc(C(=O)COCc2ccccc2)ccc1F 382703830 QRPMMCWOCSFLOO-UHFFFAOYSA-N 258.292 3.534 0 40 CHAB O=C(NCCCc1ccccc1)c1ccc(Cl)cc1 5682691 ZNAFLHYAUQORCC-UHFFFAOYSA-N 273.763 3.703 0 40 CHAB O=C1Nc2ccccc2/C1=C/c1ccccc1Cl 12339636 DAVQJYXFWUIYRH-XFXZXTDPSA-N 255.704 3.833 0 40 CHAB Fc1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 13786386 VLCDVMYNOZOREQ-UHFFFAOYSA-N 282.290 3.913 0 40 CHAB CCn1c(-c2nc3ccccc3nc2C)nc2ccccc21 16162954 VIMNKXNPQYZZLA-UHFFFAOYSA-N 288.354 3.975 0 40 CHAB Cc1cc(=O)oc2cc(OCc3cccs3)ccc12 1441275 UUCDFBYCOAPQRG-UHFFFAOYSA-N 272.325 3.742 0 40 CHAB C[C@@H](NC(=O)C1CCCC1)c1cc2ccccc2o1 21933472 QINKKYBLUWRTRE-LLVKDONJSA-N 257.333 3.800 0 40 CHAB O=C(COCc1ccccc1)c1ccc(Cl)cc1F 309969822 MZTSGTZXLBHBCO-UHFFFAOYSA-N 278.710 3.879 0 40 CHAB O=C(NC1CCC(F)(F)CC1)c1cc(Cl)ccc1F 335753708 OKLCAYCTDHSFRM-UHFFFAOYSA-N 291.700 3.787 0 40 CHAB S=c1c(Cl)c(Cl)cnn1Cc1ccccc1 121536 VBIVMNHUNYHLLQ-UHFFFAOYSA-N 271.172 3.968 0 40 CHAB COc1ccc(OC)c(NC(=O)CCC2CCCC2)c1 368836 GRJGLSAFBXSPBS-UHFFFAOYSA-N 277.364 3.613 0 40 CHAB CC(C)[C@@H](CC(=O)N1CCCCC1)[C@@H]1CCOC(C)(C)C1 489098 DIWJCFXHCCDHOB-HZPDHXFCSA-N 295.467 3.866 0 40 CHAB CNc1ncc(C(=O)c2ccc(Cl)cc2Cl)s1 1399942 ZICHYLNWNAHFTK-UHFFFAOYSA-N 287.171 3.723 0 40 CHAB CCOC(=O)CCCC(=O)c1cccc2ccccc12 2378944 OVJXJVBYTCRUBA-UHFFFAOYSA-N 270.328 3.756 0 40 CHAB c1cn2c(NC3CCCC3)c(-c3ccsc3)nc2cn1 3896497 IITZVSPLKJQTGA-UHFFFAOYSA-N 284.388 3.812 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2)c1 3958969 GOSIEWZTWLMUSX-UHFFFAOYSA-N 297.398 3.814 0 40 CHAB C[C@H]1CC[C@@H](C)N1CCCCN1[C@H](C)CC[C@H]1C 4721815 KQJBXZGQUIZKMR-FPCVCCKLSA-N 252.446 3.512 0 40 CHAB COCc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1 5278896 ANYVIADUCAJBBH-UHFFFAOYSA-N 293.725 3.878 0 40 CHAB O=C(NCc1cccc(Cl)c1)c1ccc(Cl)cc1 5679336 OSFOGVLRQKBYFJ-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C)C1 6254077 QYJDOPYNLGLCHV-GFCCVEGCSA-N 284.359 3.522 0 40 CHAB O=C(NCc1ccc(F)cc1)c1csc2c1CCCC2 6921112 KWJKDUROJBJPHT-UHFFFAOYSA-N 289.375 3.696 0 40 CHAB CC(C)Oc1cccc(C(=O)Nc2cccnc2Cl)c1 7669021 HXPJKHOPGVLKMJ-UHFFFAOYSA-N 290.750 3.775 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1C 8480928 ADWWAKYBCUOBKD-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB Cc1c(C)n(C2CCCCCC2)c2ncn3ncnc3c12 9419445 CEQXJKWCEPKANQ-UHFFFAOYSA-N 283.379 3.591 0 40 CHAB Cc1[nH]c2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2c1C 12527905 DJDNHNPJRJRFNC-ZDUSSCGKSA-N 293.370 3.671 0 40 CHAB C[C@@H]1Cc2ccccc2N1c1ncnc2ccsc12 12537041 SLIFXTIGVMIAPO-SNVBAGLBSA-N 267.357 3.774 0 40 CHAB CC[C@H](C)c1ccccc1NC(=O)/C=C/c1cnn(C)c1 12622572 RHSJOXRDWMDIEM-LXKVQUBZSA-N 283.375 3.586 0 40 CHAB CCCCCCNC(=O)c1cc2cc(F)ccc2[nH]1 12748769 BFJLSUZYIUUETK-UHFFFAOYSA-N 262.328 3.617 0 40 CHAB O=C(Cc1ccccc1)Nc1ccccc1C1CC1 12858289 USSOREXVVLKTAO-UHFFFAOYSA-N 251.329 3.745 0 40 CHAB CCN(C(=O)c1ccc(C(C)=O)s1)c1ccccc1 12981902 WFINNZCGHWPICH-UHFFFAOYSA-N 273.357 3.617 0 40 CHAB O=C(C1CCCCC1)N1CCc2cc3ccccc3nc21 15841732 JLNQKVQJTUGEHN-UHFFFAOYSA-N 280.371 3.704 0 40 CHAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccccc1 16300365 KCPMDXHRRWLGMT-CQSZACIVSA-N 287.359 3.793 0 40 CHAB COc1ccccc1NC(=O)Cc1coc2ccc(C)cc12 16752739 DMNUUOZQGSUHBF-UHFFFAOYSA-N 295.338 3.931 0 40 CHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccncc1 17584802 BDETZHBLXPUMDC-UHFFFAOYSA-N 288.350 3.930 0 40 CHAB in-vitro CCOc1cccc(CNc2ccc(OC)cc2)c1 32110113 IPPZIUFVBQKGLX-UHFFFAOYSA-N 257.333 3.706 0 40 CHAB CC(C)c1ccccc1NC(=O)OCC(F)(F)F 32628751 UYRORKQILIDXHF-UHFFFAOYSA-N 261.243 3.921 0 40 CHAB in-vitro Cc1c(Cl)cccc1Nc1ccc(N)cc1C(=O)O 37930307 JKNMQECULIDSBT-UHFFFAOYSA-N 276.723 3.672 0 40 CHAB CC1(C)C(=O)N(Cc2ccccc2)c2ccccc21 38222338 WWYLREXTPAWMGN-UHFFFAOYSA-N 251.329 3.511 0 40 CHAB COc1ccc2oc(C)c(C(=O)NCc3ccccc3)c2c1 39702311 UDCUZTAAHFUEMQ-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 39941899 CBMYJHIOYJEBSB-IFHBXBJUSA-N 292.463 3.751 0 40 CHAB Cc1cccc2sc(-c3cc(N)ccc3O)nc12 45946639 IFVPKIULDBMVMG-UHFFFAOYSA-N 256.330 3.560 0 40 CHAB O=C(COc1ccccc1)c1ccc(C(F)(F)F)cc1 48022133 PGENCEKUWRSLRQ-UHFFFAOYSA-N 280.245 3.967 0 40 CHAB Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 48948694 WKMMXRUGVHXVED-SSDOTTSWSA-N 296.729 3.575 0 40 CHAB Cc1cc(C)cc(CSCC(=O)NC2CCCCC2)c1 57688927 SKUXAEGVUKOVOA-UHFFFAOYSA-N 291.460 3.986 0 40 CHAB Cc1noc(C)c1NC(=O)Cc1c(Cl)cccc1Cl 58332881 VICLADOFPGXXHU-UHFFFAOYSA-N 299.157 3.779 0 40 CHAB O=C(CCc1ccc(F)cc1)Nc1c(F)cccc1F 62160440 UUDKVVDUJGOJAX-UHFFFAOYSA-N 279.261 3.675 0 40 CHAB COC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 62170269 WWWFZPJPSLZMOE-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB Cc1ccc(OCCOc2ccc(-c3nnco3)cc2)cc1 65576330 ZSSZUBYNTDVWRP-UHFFFAOYSA-N 296.326 3.503 0 40 CHAB CC(C)c1noc([C@@H](C)N(C)Cc2ccc(F)cc2F)n1 65591488 IFGVKORNYSYFEG-SNVBAGLBSA-N 295.333 3.664 0 40 CHAB Cc1nc(CSc2nc3ncc(Cl)cc3[nH]2)oc1C 66408652 YFVOITUROMCJEB-UHFFFAOYSA-N 294.767 3.508 0 40 CHAB Clc1ccccc1Cc1nc2c3ccccc3ncn2n1 71280794 JBKXXJXGAICGMM-UHFFFAOYSA-N 294.745 3.522 0 40 CHAB Cc1ccc(-c2cc(-c3ccccc3Cl)nc(N)n2)o1 71977833 CZNYACVHZNRMKR-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(SC)nc1 72216886 OHYXVVNRQYZVNA-CYBMUJFWSA-N 250.411 3.741 0 40 CHAB CCOc1cc(C)ccc1NC(=O)N1CCC12CCC2 72313591 AIXXIJFCDYMAJP-UHFFFAOYSA-N 274.364 3.554 0 40 CHAB O=Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1 82168403 KMGZXAQIPBAKTP-UHFFFAOYSA-N 264.284 3.682 0 40 CHAB CC(C)C(=O)CCC(=O)c1ccc(Br)cc1 85347811 YAHZUTJCTQJXAO-UHFFFAOYSA-N 283.165 3.637 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CCC(C(F)(F)F)CC1 88436501 FBDSZUWAAXYTPA-UHFFFAOYSA-N 296.292 3.582 0 40 CHAB O=C(Nc1ccccc1CCC(F)(F)F)N1CCCC1 89122142 NKSBAENZVHCLKV-UHFFFAOYSA-N 286.297 3.809 0 40 CHAB COc1ccc(Cl)cc1[C@H](C)NCc1ccco1 89904574 BDNKBAFYFNNRNX-JTQLQIEISA-N 265.740 3.792 0 40 CHAB O=C(O)CC1(CC(=O)c2cccc(F)c2)CCCCC1 95634399 QVVFUCRBVHZOSP-UHFFFAOYSA-N 278.323 3.824 0 40 CHAB C[C@@H]1CC[C@H]1COc1ccccc1Br 96526370 LZCBTBCGABMWER-ZJUUUORDSA-N 255.155 3.874 0 40 CHAB C1=C[C@H]2C[C@H]1C[C@@H]2CN1CCC(N2CCCCCC2)CC1 100846646 PXTVFPROXZRZNC-OKZBNKHCSA-N 288.479 3.539 0 40 CHAB C[C@@H](NCc1ccnc(N)c1)c1ccc2ccccc2c1 193472620 WKWLLNQHKCRZKL-CYBMUJFWSA-N 277.371 3.668 0 40 CHAB Cc1ccc(C)c(CC(=O)NC[C@@H](C)c2ccccc2)c1 224391968 YDPJQBQZZYTXNE-MRXNPFEDSA-N 281.399 3.766 0 40 CHAB Cc1cc(-c2noc(-c3ccccc3Cl)n2)ccc1N 225173700 XRYRZIYPRKCSSH-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB Cc1ccc(NC(=S)NCCCc2cccc(C)c2)nc1 225394092 CXZKIBPWKAZRSU-UHFFFAOYSA-N 299.443 3.618 0 40 CHAB CC(C)NC(=O)c1ccc(N[C@@H](C)c2ccccc2)c(N)c1 225413015 JSUFJNGFSMQYON-ZDUSSCGKSA-N 297.402 3.580 0 40 CHAB Cc1[nH]c2cccc(Br)c2c(=O)c1C(C)C 685938103 JRQMRLGFINQGIY-UHFFFAOYSA-N 280.165 3.722 0 40 CHAB FC(F)(F)CNc1ccccc1OCC(F)(F)F 1083811815 SXGQHSKDOGFKIM-UHFFFAOYSA-N 273.176 3.602 0 40 CHAB O=C(O)CCc1c[nH]c2c(OCc3ccccc3)cccc12 1857793086 GCCQZEOCTLSWKG-UHFFFAOYSA-N 295.338 3.764 0 40 CHAB Nc1cc(C(F)(F)F)ccc1OCc1ccccc1 52043 VKHDZWQPEGTTJC-UHFFFAOYSA-N 267.250 3.867 0 40 CHAB C[C@H](SCc1csc(-c2ccccc2)n1)C(=O)O 3235992 WFNIYYBGSXOWTN-VIFPVBQESA-N 279.386 3.516 0 40 CHAB CCCSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 12622891 LKKQYQRUPCGFAS-UHFFFAOYSA-N 283.784 3.636 0 40 CHAB CC(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 3438280 QHJANLREZGAGHE-UHFFFAOYSA-N 299.395 3.761 0 40 CHAB COc1ccc(Nc2cc(Cl)nnc2Cl)cc1 4746826 AZSHLWCZONGHNW-UHFFFAOYSA-N 270.119 3.536 0 40 CHAB COc1ccc2cc([C@H](C)C(=O)NCC(C)C)ccc2c1 12697054 GEVLJAMDCQIPGN-ZDUSSCGKSA-N 285.387 3.724 0 40 CHAB CCCCCCOc1ccccc1CNC[C@@H]1CCCO1 19737901 PXLSEKFYYRXMSB-KRWDZBQOSA-N 291.435 3.914 0 40 CHAB O=Cc1ccc(C(=O)OCc2cccc(Cl)c2)cc1 58974505 LXOCTYBKRQUUQB-UHFFFAOYSA-N 274.703 3.510 0 40 CHAB Fc1cccc(Cl)c1COc1ccc2c(c1)OCO2 60386810 ZWOPUDGJRQZTAB-UHFFFAOYSA-N 280.682 3.787 0 40 CHAB O=C(NCc1ccccc1)c1csc(-c2ccccc2)n1 12988885 CLANPKDCWVNYQL-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB O=C(Nc1cccc2ncccc12)c1ccc(Cl)o1 13012045 PHJAFTCKWDEIPU-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB Cc1ccsc1CNCCc1c[nH]c2ccccc12 4488630 MVAQBTMSSZDMCH-UHFFFAOYSA-N 270.401 3.870 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)o1 4598790 BEQIDOXNXSBLLA-UHFFFAOYSA-N 283.249 3.537 0 40 CHAB CN(Cc1ccccc1)C1CCN(C2CCCCC2)CC1 4553791 RZNHMUFTRQOOBH-UHFFFAOYSA-N 286.463 3.916 0 40 CHAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(C)c2)cc1 20025525 RJSFEPNVSAPLJZ-CYBMUJFWSA-N 299.370 3.503 0 40 CHAB Cc1ccccc1NCc1nc2sc(C)c(C)c2c(=O)[nH]1 19926635 CRBVZHKXHSWPAU-UHFFFAOYSA-N 299.399 3.522 0 40 CHAB CCNC(=S)N[C@@H](C)c1ccc(-c2ccccc2)cc1 15545336 UOAMTAPFMXJYPN-ZDUSSCGKSA-N 284.428 3.899 0 40 CHAB C[C@@H](NC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1 15694854 SHXPAAAWGCUHKY-SNVBAGLBSA-N 294.276 3.591 0 40 CHAB O=C(Nc1ccccc1F)c1ccc2c(c1)CCC2 7888980 AFBNNQPEWVYCMH-UHFFFAOYSA-N 255.292 3.567 0 40 CHAB CCCc1ccc([C@H](NCc2nnc(C)o2)C(C)C)cc1 96982039 QJYSXFJPMMPVPV-QGZVFWFLSA-N 287.407 3.817 0 40 CHAB CN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 9959771 PNBOOVILNQYWMI-UHFFFAOYSA-N 297.383 3.960 0 40 CHAB CCCc1cc(C(=O)N[C@@H](CC)[C@@H]2CCCO2)sc1C 89960442 DNOAOLNRBMLMCM-KBPBESRZSA-N 295.448 3.696 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccncc1 27924269 BMSMANUPIKWNGV-SECBINFHSA-N 293.729 3.757 0 40 CHAB COc1ccc(CCCC(=O)NCc2ccccc2)c(C)c1 408915883 RKIUMLZQUDQDNV-UHFFFAOYSA-N 297.398 3.643 0 40 CHAB CCN(C(=O)CSc1ccccc1C)c1cccnc1 68304842 RBRDRXGWYBAJRC-UHFFFAOYSA-N 286.400 3.535 0 40 CHAB COP(=O)(OC)C(=O)c1c(Cl)cccc1Cl 3847132 DYHYYRWTYQQOIM-UHFFFAOYSA-N 283.047 3.620 0 40 CHAB biogenic CC[C@@H](Oc1ccccc1C)C(=O)NC(C(C)C)C(C)C 30752739 LYQSLYAIOQRFMJ-OAHLLOKOSA-N 291.435 3.949 0 40 CHAB O=C(Nc1ccccc1)c1cc(-c2ccc(F)cc2)on1 123009615 GWRNAMHCHUUUTF-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB O=C(Nc1cnoc1)C1(c2ccc(Cl)cc2)CCCC1 75170923 ANLJRMVSEIWQKL-UHFFFAOYSA-N 290.750 3.779 0 40 CHAB Cc1c(N[C@@H](C)c2ccccn2)cnn1-c1ccccc1 181233419 OZSLXTHUFOPYQY-ZDUSSCGKSA-N 278.359 3.749 0 40 CHAB Cc1cccc(CNC(=O)c2ccccc2OC(C)C)c1 219740407 GSGSHVYIMKULOD-UHFFFAOYSA-N 283.371 3.712 0 40 CHAB c1csc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 35446654 XSZKDPJCSLEGDE-LBPRGKRZSA-N 283.400 3.614 0 40 CHAB biogenic,in-vitro Cc1ccc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)n2c1 71459178 AKCXHGOOPWTFQM-UHFFFAOYSA-N 293.370 3.820 0 40 CHAB CC[C@H](O)c1cnc(N2CCCc3ccccc32)cc1C 72223918 RDQXPWFKFDYPKB-KRWDZBQOSA-N 282.387 3.918 0 40 CHAB COC[C@H](C)Oc1ccc(NC(=O)C(C)(C)C)cc1Cl 225593509 LKPTUPUGICBORW-JTQLQIEISA-N 299.798 3.738 0 40 CHAB Cc1ccc(-c2noc(-c3cccc(N)c3)n2)c(C)c1 89262381 PNMWLGYEVTVZDM-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CC(C)(C)C[C@@H](NCc1ncc[nH]1)c1ccc(F)cc1 67693116 JDSWBPLNLDHNQL-CQSZACIVSA-N 275.371 3.816 0 40 CHAB CN(C(=O)c1ccc2c(c1)CCCC2)c1ccccc1 82272789 POEULILHPYJSMS-UHFFFAOYSA-N 265.356 3.842 0 40 CHAB c1coc(CN[C@H]2CCCSc3ccccc32)c1 95419188 SPERLRJDECKECP-AWEZNQCLSA-N 259.374 3.996 0 40 CHAB Cc1cccnc1[C@H](NC(=O)[C@@H]1CC=CCC1)C(C)C 96406302 RYXIOAMFPZELDO-HUUCEWRRSA-N 272.392 3.560 0 40 CHAB CCCn1c(C)nc2cc(Br)ccc21 256050280 DLVRSPSJYBKEPJ-UHFFFAOYSA-N 253.143 3.517 0 40 CHAB CCCCN(C(=O)c1ccc(F)nc1)c1ccccc1 69705473 DUASQBNHXHELRP-UHFFFAOYSA-N 272.323 3.668 0 40 CHAB Cc1ccc(Cl)cc1C(=O)[C@H]1CCCC[C@@H]1C(=O)O 95634139 UDOCBAOKJVJBDB-RYUDHWBXSA-N 280.751 3.722 0 40 CHAB COC(=O)CCCCC(=O)c1cccc(C)c1Cl 575361619 YTFSHFGLKJVOPQ-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB CC(=O)Oc1cccc(-c2nc3ccccc3s2)c1 5001121 WPTNUQHEVOUSRG-UHFFFAOYSA-N 269.325 3.889 0 40 CHAB Cc1ncsc1C(=O)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009470 OGAGMGNEZJSUOE-KBPBESRZSA-N 288.416 3.555 0 40 CHAB COc1cccc(OC)c1C(=O)Nc1c(C)cc(C)cc1C 73266 RRVGVCLMRUMPFJ-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1cccnc1Cl 1304614 YFGNIWLKSIIHMZ-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB O[C@@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 4242387 YKMDZKHKLVIGQR-ZDUSSCGKSA-N 254.663 3.700 0 40 CHAB O=C1[C@H]2CC[C@H](C2)[C@@H]1Sc1nc2ccccc2s1 16545448 NNTCZFYTRJNYDB-RWEMILLDSA-N 275.398 3.756 0 40 CHAB O=C(NC1CCCCCCC1)c1ccc(F)c(F)c1 19074463 WVOZVUHUAZLVMX-UHFFFAOYSA-N 267.319 3.808 0 40 CHAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)O)cc1 21020925 VHAWCJGITMCVSG-UHFFFAOYSA-N 289.356 3.822 0 40 CHAB in-vitro CCOc1ccccc1NC(=O)c1ccc2ccccc2n1 2652875 WOMIFFQHWWSEHX-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB COc1cc(/C=C/C(=O)Nc2ccccc2C)cc(OC)c1 7069927 CSGUJWMOYHNSOU-CMDGGOBGSA-N 297.354 3.664 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2C)o1 40103546 BXJSRDUYCQULET-NSHDSACASA-N 276.311 3.918 0 40 CHAB Cc1ccc([C@H](CCN)[C@@H]2CCOC(C)(C)C2)cc1 201907 GXWXGJWPSDTAAG-CVEARBPZSA-N 261.409 3.633 0 40 CHAB biogenic C[C@@H](CCc1ccco1)NC(=O)N[C@@H]1CCc2ccccc21 32795204 UGEPHLDLEAMXBE-SUMWQHHRSA-N 298.386 3.587 0 40 CHAB C[C@H](C1CC1)N(C(=O)c1cn(C)c2ccccc12)C1CC1 32833896 NWAULVVNSJTJGV-GFCCVEGCSA-N 282.387 3.581 0 40 CHAB O=C1CCC[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]12 103047631 RFCMYEBTZKSRRN-IPMKNSEASA-N 293.366 3.917 0 40 CHAB CCc1ccccc1NC(=S)NCCc1ccccc1 7561178 AFMUKUJYICKREF-UHFFFAOYSA-N 284.428 3.778 0 40 CHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1F)C2 11327595 QYNPDWVXKBVRCY-OAHLLOKOSA-N 287.359 3.790 0 40 CHAB CC(=O)c1ccc(NC(=O)c2nc3ccccc3s2)cc1 6297213 JCWZGPLETDDYDK-UHFFFAOYSA-N 296.351 3.751 0 40 CHAB CCC[C@@H](C)NC(=O)CCSc1ccc(C)cc1 6944632 WTQJATWGXQVIQU-CYBMUJFWSA-N 265.422 3.782 0 40 CHAB O=C(O)[C@H](Cc1cccs1)c1ccc(Cl)cc1 11588977 JPSLSIJWIHDXBM-GFCCVEGCSA-N 266.749 3.812 0 40 CHAB CC(=O)c1ccc(C(=O)NCCC2=CCCCC2)s1 32780986 ZJXUWHJAJZBWAF-UHFFFAOYSA-N 277.389 3.571 0 40 CHAB CN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102268977 IROFZCQXISOYQJ-WHOFXGATSA-N 275.779 3.511 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)c(F)c1F 102316322 LKZIMGKGLPPHDV-LPEHRKFASA-N 283.293 3.869 0 40 CHAB CC(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 9217342 GPBJWOSDLGHMHG-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB CC1CCN([C@H](C)C(=O)Nc2cccc3ccccc23)CC1 8470898 GRAMBRXYCUJNBK-OAHLLOKOSA-N 296.414 3.899 0 40 CHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccncc1 577582 WQNWPJFWALCBRU-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB O=C(O)C/C(=C/c1ccccc1)c1nc2ccccc2o1 22096244 AQTDGZATXHXILX-RAXLEYEMSA-N 279.295 3.843 0 40 CHAB COc1ccccc1/C=C/C=C1/SC(=S)N=C1O 56668570 QZFPUBLUGMQZLG-JRRWEWNMSA-N 277.370 3.581 0 40 CHAB O=C(O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 12336630 AWSZMFQURKXDAR-UHFFFAOYSA-N 289.143 3.892 0 40 CHAB FC(F)(F)c1cc2nc(Cl)[nH]c2cc1Br 118853658 YTOVFSGFEPGUDD-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB CC1(C)C=CN(c2cccc(Cl)c2)C(S)=N1 54957132 POXUBJMUFBPDPZ-UHFFFAOYSA-N 252.770 3.738 0 40 CHAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N(C)C)c1 16477662 HIFUALBDRMMJNH-KRWDZBQOSA-N 282.387 3.545 0 40 CHAB Clc1ccccc1CNc1ccc2cn[nH]c2c1 35040323 JVDXGFMPMGMIKM-UHFFFAOYSA-N 257.724 3.828 0 40 CHAB COc1ccc(OC)c(NC(=O)c2cc(C)sc2C)c1 10030434 DOENTKOINSIWSL-UHFFFAOYSA-N 291.372 3.634 0 40 CHAB CC(=O)c1ccc(OCc2nc3ccccc3nc2C)cc1 12774417 VERZDYGETULPPY-UHFFFAOYSA-N 292.338 3.720 0 40 CHAB CCOc1ccc2ccccc2c1C(=O)NC1CCCC1 8382809 HZSWQLSQABXTSU-UHFFFAOYSA-N 283.371 3.911 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(N)cc2)cc1 17009699 SYAJYLNZFCDTDF-GFCCVEGCSA-N 286.400 3.697 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1C 5342597 CREUMVZEFGJIKN-UHFFFAOYSA-N 292.338 3.781 0 40 CHAB biogenic,in-vitro COc1cc(NC(=O)C[C@@H](C)c2ccccc2)cc(OC)c1 6588801 SQWCASBAHZIORS-CYBMUJFWSA-N 299.370 3.836 0 40 CHAB Nc1cc(Br)ccc1Oc1cccc(F)c1 14630978 QJSGSCKBGHQRGJ-UHFFFAOYSA-N 282.112 3.963 0 40 CHAB CCNC(=S)N1CCCCC[C@H]1c1ccc(OC)cc1 15156114 CSRBAKQXVCWNRE-HNNXBMFYSA-N 292.448 3.507 0 40 CHAB COCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 71915259 XYWQAUQCTWRGER-HOTGVXAUSA-N 289.419 3.516 0 40 CHAB CC(C)(C)c1cc(NC(=O)c2ccoc2)n(C(C)(C)C)n1 66671931 UDMWEXUBQQFPFS-UHFFFAOYSA-N 289.379 3.781 0 40 CHAB CCO[C@@H]1C[C@@H](NCc2cccs2)C12CCCCC2 76021628 YNAMHGMOSRGRJM-HUUCEWRRSA-N 279.449 3.966 0 40 CHAB Cc1ccc([C@H](CN[C@@H](C)CC(C)C)N2CCCC2)o1 97016734 YYWWDHGYCMJTQP-HOCLYGCPSA-N 278.440 3.749 0 40 CHAB CCc1nc(Cn2cnc3cc(C)c(C)cc32)cs1 78672321 VLPMWABSZALNEV-UHFFFAOYSA-N 271.389 3.720 0 40 CHAB CC[C@@H](C)OCc1c(Br)cnn1[C@H](C)CC 408715901 GOKLZAPBZSXMNR-NXEZZACHSA-N 289.217 3.932 0 40 CHAB CC(C)c1ccc(NC(=O)NC(=O)c2ccccc2)cc1 26329964 CLOKYLWCSBSZGS-UHFFFAOYSA-N 282.343 3.772 0 40 CHAB C[C@](O)(C1CCCCC1)[C@](C)(O)C1CCCCC1 68592060 NVGONKHUJZLNDX-IYBDPMFKSA-N 254.414 3.649 0 40 CHAB Cc1nc2ccccc2nc1-c1nnc(C(C)(C)C)s1 16265661 OAVWQMPLDLRGMM-UHFFFAOYSA-N 284.388 3.754 0 40 CHAB O=C1C[C@@H](c2cccnc2)Nc2ccc3ccccc3c21 276278 YLRGNLPUITYATC-INIZCTEOSA-N 274.323 3.974 0 40 CHAB Cc1cc([C@H](C)NC(=O)NCc2ccccc2)c(C)s1 31662772 FMKONYFQIQEDQR-LBPRGKRZSA-N 288.416 3.925 0 40 CHAB Cc1ccc(O[C@@H](Cc2cc(C)cc(C)c2)C(=O)O)cc1 225036133 ZZKHDZROYZRERV-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CC[C@@H](Oc1cccc(Oc2ccccc2)c1)C(=O)O 13609242 KJHMRZPVRDWLAZ-OAHLLOKOSA-N 272.300 3.721 0 40 CHAB Cc1ccc(O[C@@H](Cc2ccccc2Cl)C(=O)O)cc1 225055694 MZNZZTYIBGBBRL-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB CCCNC(=O)c1cc(N)ccc1Nc1cc(C)cc(C)c1 225465911 VTSPSSQEMAAXQV-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(O)c2)c(Cl)c1 191754690 AVOFBNHZVFJLIQ-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB Cc1cc(I)cc2c(Cl)c[nH]c12 238546273 KAYAVLXPPWNAAI-UHFFFAOYSA-N 291.519 3.734 0 40 CHAB CCC(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 255190117 VCHYFCAGCRHFEM-UHFFFAOYSA-N 251.635 3.707 0 40 CHAB COc1ccc(C(=O)c2cc(F)cc(Cl)c2)cc1F 95916215 UOZUQSPDSORLGP-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB C[C@H](NC(=O)Nc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 103107015 UYRIPAJMUINYJF-ASHKBJFXSA-N 276.355 3.772 0 40 CHAB CCOC(=O)Cc1csc(Nc2c(C)cccc2C)n1 105651696 NUODYCPVUNQJED-UHFFFAOYSA-N 290.388 3.609 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2ccc(C(F)(F)F)cc2N)C1 8702541 XJUHKVNHANVGGQ-NXEZZACHSA-N 272.314 3.770 0 40 CHAB Cc1ccccc1NC(=O)CNc1ccc(Cl)cc1 15086393 ABOXUIPKOSLLAX-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccoc1 5492541 MSBGXQSDBDHIGV-MJXNMMHHSA-N 297.398 3.710 0 40 CHAB CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C=O 37326817 IPSTWTNQUVRVPI-UHFFFAOYSA-N 262.740 3.636 0 40 CHAB in-vitro COc1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 263997 DLNOTUVDXVGKNN-OAHLLOKOSA-N 296.370 3.717 0 40 CHAB Cc1ccc(NC(=O)NCC2(c3cccs3)CC2)cc1 22680216 OMGDUXSOWQDBHD-UHFFFAOYSA-N 286.400 3.910 0 40 CHAB O=C(c1cccc2ccccc12)N1[C@H]2CC[C@H]1CC(F)C2 1775967750 BSGPBLRNTFGWQQ-GJZGRUSLSA-N 283.346 3.945 0 40 CHAB O=C(NCc1ccccc1)C12CC3C[C@H](CC[C@@H](C3)C1)C2 100848026 LIYKNPGBTGRXQK-XNYRCJLNSA-N 283.415 3.909 0 40 CHAB COc1ccc(C(=O)c2cc(C)ccc2C)c(OC)c1 36939968 PXLWLRFBSGDXKM-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB O=C(NCCc1ccccc1)c1[nH]c2ccccc2c1Cl 40142892 LDTCZDVVDGUVGX-UHFFFAOYSA-N 298.773 3.794 0 40 CHAB CCC(=O)n1nc(-c2ccccc2)c2ccccc21 1715965 GEBGNMLQDRJYOC-UHFFFAOYSA-N 250.301 3.754 0 40 CHAB CC(=O)c1ccc(OC(=O)c2cc3ccccc3o2)cc1 3550008 LTEJQCRLGLUHJJ-UHFFFAOYSA-N 280.279 3.855 0 40 CHAB Cc1ccc(/C=C(\C(N)=O)c2nc3ccccc3s2)cc1 3849073 QQNOFSCXWLCQFM-JLHYYAGUSA-N 294.379 3.631 0 40 CHAB Cc1cccc(C(=O)c2ccc(CN3CC=CC3)cc2)c1C 2514899 CAPIGWFRVCVUCE-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB CCSc1nnc2c3ccccc3nc(C(C)(C)C)n12 4898213 HOSCEVDMFYNXMT-UHFFFAOYSA-N 286.404 3.687 0 40 CHAB Nc1ccccc1SCc1ccc(O)c2ncccc12 6392625 OMDFJIQITCRMQP-UHFFFAOYSA-N 282.368 3.815 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1cc(F)ccc1F 6889599 IHCMAMOOLJZLOP-RMKNXTFCSA-N 259.255 3.617 0 40 CHAB Cc1c(Cl)cccc1CNc1nnc2n1CCCCC2 8548462 GXAWXZJFYOEZFW-UHFFFAOYSA-N 290.798 3.578 0 40 CHAB C[C@H](CCc1ccco1)NC(=O)N[C@H]1CCc2ccccc21 32795207 UGEPHLDLEAMXBE-DYVFJYSZSA-N 298.386 3.587 0 40 CHAB O=C1CS[C@@H](c2ccccc2Cl)N1c1nccs1 17198224 YGGLZTLIDMUYLU-NSHDSACASA-N 296.804 3.575 0 40 CHAB Cc1ccc(-c2cc3c(Cl)nccn3n2)c(C)c1 57352185 YTUBFNUNMXROOI-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB Cc1cccc(-c2nc3ccc(F)cc3n2C)c1C 89688772 QOMCJPGLLGZTIP-UHFFFAOYSA-N 254.308 3.996 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)C1CCCC1 20483977 PQEYDYVUEDCQSM-OAHLLOKOSA-N 275.392 3.553 0 40 CHAB CN(CCc1ccc2cccc(O)c2n1)C1CCCCC1 59474699 JWGSAUVKCIHGEQ-UHFFFAOYSA-N 284.403 3.747 0 40 CHAB C[C@H](NC(=O)Nc1cccc(Cl)c1F)c1ccncc1 43450602 QEYWUVKCLZPOGL-VIFPVBQESA-N 293.729 3.757 0 40 CHAB CC(=O)O[C@@H](c1ccccc1)[C@@H](OC(C)=O)c1ccccc1 1590069 YERNEDFODXSYDP-ROUUACIJSA-N 298.338 3.595 0 40 CHAB O=C(Nc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 107327697 FIMBDHQRJXSSRF-KWBADKCTSA-N 294.192 3.824 0 40 CHAB CC(C)C[C@@H](C)N(C)C(=O)N[C@@H](C)Cc1ccsc1 57855984 NFHPWFLPDXWPQL-QWHCGFSZSA-N 282.453 3.755 0 40 CHAB CCCC(=O)NC[C@H](c1cccs1)N1CCCCCC1 27662474 XRUFVMGLPUESBT-CQSZACIVSA-N 294.464 3.582 0 40 CHAB O[C@H](CSc1ncnc2sccc12)c1ccccc1 10340935 WACIJZRCZKMZEV-GFCCVEGCSA-N 288.397 3.517 0 40 CHAB O=C(NCCc1cccc(Cl)c1)Nc1cccc(F)c1 17023108 WVIGJNKAKXJVAK-UHFFFAOYSA-N 292.741 3.843 0 40 CHAB Cc1csc(SCC(=O)Nc2cc(F)ccc2C)n1 3413625 VAVHBSXRTSLFAU-UHFFFAOYSA-N 296.392 3.630 0 40 CHAB COC[C@@H](C)Nc1nc(-c2ccccc2Cl)cs1 3455768 DQTRDPQXGSKYIM-SECBINFHSA-N 282.796 3.910 0 40 CHAB CC1=CC(C)(C)N(C(=O)C(F)(F)F)c2ccccc21 4480468 FBWDEOVIDIYINC-UHFFFAOYSA-N 269.266 3.777 0 40 CHAB CCOC(=O)[C@H](CC)Oc1ccc(Cl)c(Cl)c1 70250307 PKOOMZHJBFIUBX-NSHDSACASA-N 277.147 3.714 0 40 CHAB in-vitro CC[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1 17841598 JPFHHWSZQMJMDY-GOSISDBHSA-N 296.414 3.942 0 40 CHAB Cc1cnc(NC(=O)CCSc2ccccc2F)s1 8761914 XHIFTDALSCIPKE-UHFFFAOYSA-N 296.392 3.712 0 40 CHAB CCN(C(=O)c1cccnc1Cl)C1CCCCC1 19399777 TTZXCUFJHRKEPZ-UHFFFAOYSA-N 266.772 3.530 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cccc(N(C)C)c1 9220480 ABKRECAXDZIYQE-UHFFFAOYSA-N 268.360 3.622 0 40 CHAB CC(=O)c1cccc(OCCCc2ccccc2)c1 19806340 PMAZYWDTCIONSW-UHFFFAOYSA-N 254.329 3.901 0 40 CHAB Cc1csc([C@@H]2CCCCN2C(=O)c2occc2C)n1 72273768 LTSOBQWQLSLQEI-LBPRGKRZSA-N 290.388 3.720 0 40 CHAB CN(Cc1ccc(-n2ccnc2)c(F)c1)c1ccccc1 95456989 ZTJJGNLPHPQCEH-UHFFFAOYSA-N 281.334 3.648 0 40 CHAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCCC2)cc1 76938607 WQZSOVMETKYZIF-HZPDHXFCSA-N 257.377 3.536 0 40 CHAB CC[C@H](O)c1ccc(OCc2cccnc2Cl)cc1 78869085 HJKGKAXUCGGBQK-AWEZNQCLSA-N 277.751 3.757 0 40 CHAB Cc1csc2[nH]c(/C=C/c3cccc(F)c3)nc(=O)c12 95941577 KFNLSRZFEFMBEC-AATRIKPKSA-N 286.331 3.603 0 40 CHAB CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 261796 NHAUKYAYIYDFST-UHFFFAOYSA-N 273.719 3.529 0 40 CHAB biogenic COc1cccc(C(=O)Sc2nc3ccc(C)cc3[nH]2)c1 408625361 XUMNHZRWUMVMKF-UHFFFAOYSA-N 298.367 3.812 0 40 CHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C)CC1 30868695 DUMGWNPJPDLUQU-HNNXBMFYSA-N 295.810 3.756 0 40 CHAB CC(C)CN1CCCC[C@H]1c1cccnc1Cl 72211520 JKMUYIKSQWZHRV-ZDUSSCGKSA-N 252.789 3.918 0 40 CHAB O=C(O)[C@@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 70453302 NMCRUXBLROFGNU-WDEREUQCSA-N 262.692 3.788 0 40 CHAB Cc1ccc(Nc2ccc(C(=O)O)cc2N)cc1Cl 37930235 HMKHKJXDBFVKGJ-UHFFFAOYSA-N 276.723 3.672 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1ccccc1 46804286 IIXKNOOVOYNLGN-OAHLLOKOSA-N 299.439 3.967 0 40 CHAB CN(CCC(=O)c1ccc(Cl)cc1)CC1CCC1 61484096 RXQHYSWFALVGHB-UHFFFAOYSA-N 265.784 3.645 0 40 CHAB Nc1cc(N)cc(-c2nc3c(Cl)cccc3s2)c1 45920806 FWGUCLFVOUUJGA-UHFFFAOYSA-N 275.764 3.781 0 40 CHAB Cc1ccc(CCC(=O)N2CCc3ccccc32)cc1C 225582858 NBLFWHXHHIGZKN-UHFFFAOYSA-N 279.383 3.825 0 40 CHAB O=C(O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 41127132 XQYNBXAOJDSASU-UHFFFAOYSA-N 287.702 3.775 0 40 CHAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COC(C)C)c1 224430280 SUANLZJQDLFYCU-CYBMUJFWSA-N 293.407 3.539 0 40 CHAB COc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225637047 AIUJEEPHBOLOMB-SJKOYZFVSA-N 291.391 3.537 0 40 CHAB Cc1nc(C(F)(F)F)ccc1C(=O)c1ccccc1 91695868 PXFZUBFRHZRDIN-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)sc1C 96413257 FCIUFWCUTNKALE-UHFFFAOYSA-N 270.398 3.520 0 40 CHAB Fc1cccc2c1CC[C@@H]2SC1=NCCS1 95406421 HNGUXNWVHRXZJW-NSHDSACASA-N 253.367 3.649 0 40 CHAB O=C(O)c1c(C(F)(F)F)nc2ccccc2c1Cl 96171680 RUFNNPLCTTVKLE-UHFFFAOYSA-N 275.613 3.605 0 40 CHAB Cc1c(Cl)cccc1C(=O)[C@H]1CCCC[C@H]1C(=O)O 95634077 OVXRXWANKGKKSJ-NWDGAFQWSA-N 280.751 3.722 0 40 CHAB CN(C)c1ccc(C(=O)c2cc(Cl)ccc2F)cc1 95916782 OYFPRQIYDCYCLF-UHFFFAOYSA-N 277.726 3.776 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1ccc(Cl)cc1Cl 575360411 GMPRLCZMHXMJMY-UHFFFAOYSA-N 275.131 3.518 0 40 CHAB COCc1ccccc1NC(=O)Cc1ccc(Cl)cc1 46932305 OEXFLHWFWCVUPI-UHFFFAOYSA-N 289.762 3.668 0 40 CHAB COc1ccc(C2=CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 47554641 UOYHAHIOVYBHBZ-OAHLLOKOSA-N 297.398 3.667 0 40 CHAB CC(=O)Nc1ccccc1CN(C[C@H]1C[C@@H]1C)C(C)C 93661791 XXXLBZURADZAMR-XJKSGUPXSA-N 274.408 3.511 0 40 CHAB CCC(CC)(C(=O)O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 88613827 NBVVOWRJFZCUKU-LBPRGKRZSA-N 299.411 3.525 0 40 CHAB Cc1ccc(Oc2ccccc2OCCN(C)C)cc1 2037873288 UFZZAELGEDHSAH-UHFFFAOYSA-N 271.360 3.728 0 40 CHAB Cc1ccc(N2NC3(CCCCCC3)N=C2S)cc1 4190408 CAXRTLGSQTYDRU-UHFFFAOYSA-N 275.421 3.656 0 40 CHAB CO[C@H](CNC(=O)c1cccc2ccccc12)c1ccco1 206859394 RMBXYSKYANIHOE-QGZVFWFLSA-N 295.338 3.550 0 40 CHAB Cc1ccc(-n2c(SCC(=O)O)nc3ccccc32)cc1 6650934 DPURZYUGWCDZPG-UHFFFAOYSA-N 298.367 3.511 0 40 CHAB CC[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 10091433 FPRLCNWMSGHZPU-RYUDHWBXSA-N 284.403 3.821 0 40 CHAB CCN(C(=O)c1cc2ccc(OC)cc2[nH]1)c1ccccc1 40080570 PWCFNQDNKQSVSQ-UHFFFAOYSA-N 294.354 3.843 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(C)cc2C)cc1 578086 IHCGMHZVSFNFEP-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB Cc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)O 1431314 MGLJKGGFRZAAJT-UHFFFAOYSA-N 270.206 3.972 0 40 CHAB Cc1ccc(C(=O)CCN2CC3CCC(CC3)C2)c(C)c1 1615784 AJAIRWSDVSLRSN-UHFFFAOYSA-N 285.431 3.998 0 40 CHAB O[C@H](c1cccc2cc(Cl)ccc12)[C@H]1CCCCN1 1655468 UUUVXBQKOPGAGB-HZPDHXFCSA-N 275.779 3.669 0 40 CHAB CCOC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 1865333 UMMIONCOPKEPGY-HNNXBMFYSA-N 283.327 3.936 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(C(C)C)cc1 2580364 JTCMSPYHIQGPGZ-UHFFFAOYSA-N 262.349 3.726 0 40 CHAB CC(C)(C)c1ccc(OCC(=O)O)c(C(C)(C)C)c1 297875 ZKEWJHKMOWKCFM-UHFFFAOYSA-N 264.365 3.745 0 40 CHAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1C 9140034 VNJOUMUZKZMWKY-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB c1ccc(Oc2ccc(-c3ccnc4ncnn34)cc2)cc1 1389339 DZKQBPDYBOFHRO-UHFFFAOYSA-N 288.310 3.584 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1c(F)cccc1F 55527439 HDHBTWHTBUZQQN-NSHDSACASA-N 269.335 3.911 0 40 CHAB COc1cccc2cc([C@@H](C)NC(=O)[C@H]3CC=CCC3)oc12 25138913 VUIYLGNYLFSWLZ-OLZOCXBDSA-N 299.370 3.975 0 40 CHAB Cc1cc(Cl)ccc1OCc1nnc2n1CCCCC2 3299382 AWCDAOHRQOKLBW-UHFFFAOYSA-N 291.782 3.545 0 40 CHAB Cc1n[nH]cc1CN[C@@H](C)c1cccc(C(F)(F)F)c1 37898538 YRIKOKYLMYMRBP-VIFPVBQESA-N 283.297 3.588 0 40 CHAB Cc1ccc(-c2csc(Nc3cc(C)nn3C)n2)cc1 12770088 UDEYGPWOPQTXEY-UHFFFAOYSA-N 284.388 3.904 0 40 CHAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1F 12949178 QCCULBJXIBXPBO-UWVGGRQHSA-N 289.272 3.677 0 40 CHAB FC(F)(F)CCc1cccc(Br)c1 66330494 OTAUAIBYXZXPHE-UHFFFAOYSA-N 253.061 3.944 0 40 CHAB O=c1oc2cc(OC/C=C/c3ccccc3)ccc2s1 5772420 CCYMZWCIQYNRMH-QPJJXVBHSA-N 284.336 3.947 0 40 CHAB CCCc1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1 67478408 DWKINODTAKOHKR-UHFFFAOYSA-N 294.398 3.839 0 40 CHAB O=Cc1cc(-c2ccc(C(F)(F)F)cc2)ccn1 67801431 GDRJYEBPMRRWDY-UHFFFAOYSA-N 251.207 3.580 0 40 CHAB O=C(Nc1ccnc(Cl)c1)c1cc2ccccc2o1 9184138 WCUPLLCFZDPKBD-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB Cc1cc(C)cc(C(=O)NCCc2c[nH]c3ccccc23)c1 9513292 BZTGSVRWOYEQCP-UHFFFAOYSA-N 292.382 3.757 0 40 CHAB O=C(Nc1ccc(Cl)nc1)c1cccc2ncccc12 72271731 JZKDRPDKYKLXRQ-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB O=C(Nc1ccnn1C1CCCC1)c1ccc2cc[nH]c2c1 77568246 LOMMTEPTRQANQD-UHFFFAOYSA-N 294.358 3.732 0 40 CHAB Clc1ccc(CNCCc2ccccn2)c2ncccc12 95415393 CHXVJJMWIYJMPS-UHFFFAOYSA-N 297.789 3.616 0 40 CHAB COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cccc(Cl)c1 95976356 FYPFAQHQWKPDAJ-HOCLYGCPSA-N 295.810 3.552 0 40 CHAB CC[C@H](C)C(=O)c1ccc(Br)c(OC)c1 308786809 GOAXNLCZTOOSIV-QMMMGPOBSA-N 271.154 3.687 0 40 CHAB CC[C@H](CNC(=O)c1sccc1C)c1ccccc1 21704170 AKCOQCJRDKAOJS-CYBMUJFWSA-N 273.401 3.980 0 40 CHAB Clc1ccc2c(c1)CN(C1CCCCC1)CO2 53199513 FGVRQIQTCLJOFW-UHFFFAOYSA-N 251.757 3.825 0 40 CHAB CC(C)(C)OC(=O)c1cccc(-c2cccc(CN)c2)c1 34419360 PLYAYLCRPVWNRL-UHFFFAOYSA-N 283.371 3.768 0 40 CHAB COc1ccc(C(=S)N2CCc3ccccc3C2)cc1C 409198767 FFMGZIFMKRGXIT-UHFFFAOYSA-N 297.423 3.737 0 40 CHAB CC(=O)N1C[C@H](c2ccccc2)C=C1c1ccccc1 3846225 VLUZJMNYQWAEAI-QGZVFWFLSA-N 263.340 3.673 0 40 CHAB biogenic COCCC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 79360296 DRNUTMWOVZZQLE-AWEZNQCLSA-N 299.370 3.802 0 40 CHAB CN1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72348572 JWUFYHSVNWVEOZ-HNNXBMFYSA-N 284.378 3.621 0 40 CHAB Cc1ncc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)s1 71186091 JWBHSYMCUBIFQC-QMMMGPOBSA-N 296.342 3.563 0 40 CHAB Cc1cc(N2CCCc3ccccc32)ncc1[C@@H](C)O 72223916 AQHLSWMDFBMRPO-CYBMUJFWSA-N 268.360 3.528 0 40 CHAB COC(=O)c1ncccc1-c1ccc(Cl)c(Cl)c1 72209376 ICGJFXNLFMUWQI-UHFFFAOYSA-N 282.126 3.842 0 40 CHAB O=C(c1cccc(F)c1)c1ccc(F)c(Cl)c1 62791766 ULVUYHRMACWFNT-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CCCCC[C@H](OC)c1ccc(CC(=O)O)cc1 72220149 BGZMLSOPFBXKSW-AWEZNQCLSA-N 250.338 3.582 0 40 CHAB O=C(Nc1ccnn1C1CCCCC1)[C@H]1CC=CCC1 48367423 DSRBREKQMJQXHR-ZDUSSCGKSA-N 273.380 3.683 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccccc2N)o1 226304767 CAXORRDQOLORHX-STQMWFEESA-N 298.386 3.932 0 40 CHAB O=C(Cc1ccccc1F)NC1CCCCCCC1 48090452 XRVXXFNMAJEDHA-UHFFFAOYSA-N 263.356 3.597 0 40 CHAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3)cc2c1 196203012 KUNHMWNBOQDOLK-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223887712 IDPQWRLMWCXVAC-ZIAGYGMSSA-N 289.419 3.638 0 40 CHAB CCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225645054 JVHIZLMEQQVKEA-KRWDZBQOSA-N 291.391 3.537 0 40 CHAB Cc1cc(C)cc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 225320190 VHZJCFMKDCXUGC-NFAWXSAZSA-N 274.433 3.778 0 40 CHAB C[C@H](Cl)C(=O)c1cccc(F)c1C(F)(F)F 390243803 PNDSADFPAPDHBP-YFKPBYRVSA-N 254.610 3.655 0 40 CHAB CCN(C(=O)c1ccc(N)cc1Cl)c1ccccc1 19260917 FQXYSDJRAVTRSJ-UHFFFAOYSA-N 274.751 3.589 0 40 CHAB COc1ccc2c(c1)[C@@H](CO)c1ccc(Cl)cc1N2 5125292 ZCOZGDIDYGUODA-ZDUSSCGKSA-N 275.735 3.530 0 40 CHAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 13710244 JOATUORCDNWUCQ-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB COc1ccc(/C=C(\C(=O)O)C2=CCCCC2)cc1OC 17289291 ZIXPQYBTDBMPGJ-UVTDQMKNSA-N 288.343 3.672 0 40 CHAB O=C(Nc1c(Cl)cc(Cl)cc1Cl)C1CC1 6925583 OTZOMLXOGQMITF-UHFFFAOYSA-N 264.539 3.995 0 40 CHAB Cc1ccc(O[C@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 13604740 KVJZIDHAUQQTLE-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB C[C@H](NCc1cnn(C)c1)c1ccc(Cl)cc1Cl 20075138 SALUQTWCXXLVLP-VIFPVBQESA-N 284.190 3.578 0 40 CHAB COCc1cccc(C(=O)N2CCCCc3ccccc32)c1 40133925 RBEXZWABRJTJDH-UHFFFAOYSA-N 295.382 3.816 0 40 CHAB CN(C(=O)C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 932745 XWOSVGQYRVBZOX-UHFFFAOYSA-N 292.791 3.836 0 40 CHAB CCCCC[C@H]1OC[C@]2(CO)[C@H](C)C=C(C)[C@H]1[C@H]2C 4027094 KWAQTWWTBCDMPK-OVYGPGRDSA-N 266.425 3.793 0 40 CHAB COc1ccc(CCC(=O)c2ccc(F)cc2F)cc1 2516584 SYYHKXUVAQCMHY-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB O=C1N[C@H](c2cccs2)Nc2sc3ccccc3c21 4653677 PDTGQJHRSOUTBM-LBPRGKRZSA-N 286.381 3.817 0 40 CHAB CCCCc1nn2cc(-c3cccc(OC)c3)nc2s1 7994997 SXJQILZXTLUGGZ-UHFFFAOYSA-N 287.388 3.809 0 40 CHAB CC(C)c1[nH]c([C@@H]2CCCN2)nc1-c1ccccc1 36874176 HFUUCKOKFOFBNR-ZDUSSCGKSA-N 255.365 3.625 0 40 CHAB in-vitro OC12C[C@H]3C[C@H](C1)CC(NCc1ccccc1Cl)(C3)C2 102290668 CYZNIZROQNXYQL-SCQRFTTHSA-N 291.822 3.513 0 40 CHAB O=C(c1ccccc1F)N(Cc1ccco1)c1ccccn1 21524358 YITZDZSOKRILTF-UHFFFAOYSA-N 296.301 3.661 0 40 CHAB COc1ccc(C(=O)c2cc3ccccc3cc2N)cc1 482086 WJUQTAMEHJSVGU-UHFFFAOYSA-N 277.323 3.662 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC(c2ccccc2)CC1 32908299 HFWMTWXQMSMVFD-OAHLLOKOSA-N 269.388 3.749 0 40 CHAB O=C(NCCCc1ccccc1Cl)c1ccc(F)cc1 10542276 DUINIAVOXKWQON-UHFFFAOYSA-N 291.753 3.842 0 40 CHAB CC[C@H](C(=O)Nc1ccc(CN(C)C)cc1)c1ccccc1 29951975 VVOHFVZEJRCXRL-SFHVURJKSA-N 296.414 3.881 0 40 CHAB CCCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1 2739849 YODPKVHBLFCCIE-LBPRGKRZSA-N 283.799 3.804 0 40 CHAB O=C(CCC1CCCC1)Nc1ccc(N2CCCC2)nc1 22702208 QLHCPMQXHLAMEV-UHFFFAOYSA-N 287.407 3.591 0 40 CHAB Cc1nn(C(C)C)c(C)c1Nc1cnc2ccccc2n1 54061404 IOJOEFLHFYCCKM-UHFFFAOYSA-N 281.363 3.768 0 40 CHAB O=C(O)c1ccccc1-c1nc2cc(Cl)ccc2o1 34168480 CQHIRACFGHCDQE-UHFFFAOYSA-N 273.675 3.846 0 40 CHAB CC[C@@]1(C)Cc2c(sc3nc(S)[nH]c(=S)c23)CO1 1259281 HNPNHWDLKLBDBW-LBPRGKRZSA-N 298.458 3.884 0 40 CHAB O=C(c1ccc(Cl)nc1)c1ccccc1C(F)(F)F 45038694 FSYXDRWFGKQMNY-UHFFFAOYSA-N 285.652 3.985 0 40 CHAB O=C(COc1cccc2ccccc12)c1ccc(O)cc1O 3111548 REDAXCPBSWPTFV-UHFFFAOYSA-N 294.306 3.513 0 40 CHAB CCCCNc1ncnc2sc3c(c12)CC(C)(C)OC3 2339221 VQFCOGXUQWERTJ-UHFFFAOYSA-N 291.420 3.755 0 40 CHAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1ccccc1 37979966 GPJNICYTLAAJSO-INIZCTEOSA-N 269.319 3.803 0 40 CHAB CC(C)CC(=O)Nc1ccc(Sc2nncs2)cc1 48801444 NKKRPPIGBPVPLI-UHFFFAOYSA-N 293.417 3.674 0 40 CHAB S=C(NCc1ccccc1)N[C@@H]1CCCc2ccccc21 5127410 QMPKYZMMCRCHNT-QGZVFWFLSA-N 296.439 3.728 0 40 CHAB COCc1ccccc1NC(=O)N(C)[C@@H](C)CC(C)C 69415431 HSJIGFWTVPPBNC-ZDUSSCGKSA-N 278.396 3.731 0 40 CHAB Cc1cc(OC[C@@H]2CCCNC2)c(Cl)c(C)c1Cl 14631348 ZPCNFAPYQMLHOQ-LLVKDONJSA-N 288.218 3.989 0 40 CHAB CCCCNC(=O)c1ccc(COc2ccc(C)cc2)o1 4703706 DQHNXMFAMCZHDW-UHFFFAOYSA-N 287.359 3.697 0 40 CHAB Cc1ccccc1CNC(=O)c1ccc2ncsc2c1 18106608 HMXSHZUXGAALJP-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB CCN1C(=O)[C@@H](Cc2cccc(C)c2)c2ccccc21 15018199 QRDHNOAJNMUIJB-INIZCTEOSA-N 265.356 3.688 0 40 CHAB Cc1cccc(C(=O)Nc2cccc(Cl)c2C)c1O 19230310 OBQDPQRPDQSBDW-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cncc(Cl)c1Cl 97046993 UJUAXVRYIABHAW-MRVPVSSYSA-N 271.147 3.683 0 40 CHAB Clc1ccc(NCc2cnc(C3CC3)s2)nc1 97045306 GWIRXLSWTFSLCX-UHFFFAOYSA-N 265.769 3.681 0 40 CHAB CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 84740017 UVGNUYICQBZGOC-ZIAGYGMSSA-N 263.356 3.624 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)CCc1ccc2[nH]ccc2c1 95986516 MCCHURLTSLNFRF-BBRMVZONSA-N 284.403 3.795 0 40 CHAB CCSc1nnc(S[C@H](C)C(F)(F)F)s1 89279673 VJNIRHAPGKUJLF-SCSAIBSYSA-N 274.358 3.693 0 40 CHAB Cc1ccc(NC(=O)CCc2ccc3c(c2)CCO3)c(C)c1 68741189 BLIRMNNQPAYQCI-UHFFFAOYSA-N 295.382 3.810 0 40 CHAB Cc1cc(C(=O)N(C)C2CCCC2)c2ccccc2n1 32842111 NFSNINAMEFLLPG-UHFFFAOYSA-N 268.360 3.558 0 40 CHAB c1ccc(Sc2ccc([C@@H]3CCCN3)cn2)cc1 72217583 ULKKYRQOXQEGNH-AWEZNQCLSA-N 256.374 3.657 0 40 CHAB CC[C@@H](C(=O)OC)N1c2cc(C)ccc2C(C)=CC1(C)C 223198761 VSBNWDASMWIQHX-HNNXBMFYSA-N 287.403 3.949 0 40 CHAB O=C(O)c1cnc(OCc2cccc(Cl)c2)c(Cl)c1 87093481 UXTQHTQIQSFSAF-UHFFFAOYSA-N 298.125 3.666 0 40 CHAB COc1ccc(CC(=O)c2c[nH]c3ccc(OC)cc23)cc1 41484999 AKQAGKFAHRCWHM-UHFFFAOYSA-N 295.338 3.611 0 40 CHAB COc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1 225847491 QMOZNQLLKMEMTC-UHFFFAOYSA-N 290.432 3.704 0 40 CHAB CCc1nc(C)ccc1Oc1ccc(Br)cn1 232204358 YMXVNVWJHWSTDM-UHFFFAOYSA-N 293.164 3.902 0 40 CHAB c1coc(-c2ccnc3nc(CCC4CCCC4)nn23)c1 95473956 MAYJWIYAHZRTGQ-UHFFFAOYSA-N 282.347 3.507 0 40 CHAB O=C(Cc1cccc2ccccc12)N1CCC(F)(F)CC1 684518913 WVMGVTAJLGQYMC-UHFFFAOYSA-N 289.325 3.640 0 40 CHAB CCOc1ccc(NC(=O)N2CCCCCC2)c(C)c1 48142099 JIQXZLAMCWOKDL-UHFFFAOYSA-N 276.380 3.802 0 40 CHAB CSc1cccc([C@H](N)c2ccc(F)cc2F)c1 71790724 KOFHSJIHJGOATP-AWEZNQCLSA-N 265.328 3.735 0 40 CHAB Cc1ccccc1CNC(=O)CCc1ccc(Cl)cc1 14702116 QIFFARIKWRAGLC-UHFFFAOYSA-N 287.790 3.897 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)[C@@H]1C 17007901 FYNCDKRQFLAWQU-BTQIBKBOSA-N 278.223 3.511 0 40 CHAB O=C(NCCOc1ccc(Cl)cc1)Nc1ccccc1 18181919 FZUVMICOXUJVBY-UHFFFAOYSA-N 290.750 3.541 0 40 CHAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccccc1Cl 12030681 GFIIMSQHUZKSLK-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1ncnc2ccsc12 1775995989 PYOXPQSZCNNBDI-TXEJJXNPSA-N 271.389 3.769 0 40 CHAB CCCCOc1ccc(CNCC(C)C)cc1OC 32114205 GYMWHKXCXTVVRN-UHFFFAOYSA-N 265.397 3.620 0 40 CHAB C[C@@H](Nc1nc2cnccc2s1)c1ccccc1 703283652 JLXFETIUXRKXNQ-SNVBAGLBSA-N 255.346 3.864 0 40 CHAB O=C1Nc2ccccc2/C1=C/c1ccc2cc[nH]c2c1 40312610 QNZNUROQBZXHSR-ZROIWOOFSA-N 260.296 3.661 0 40 CHAB biogenic CCOc1ccc(C(=O)n2cnc3cc(C)c(C)cc32)cc1 68076 MKOTUZBJKZUTOS-UHFFFAOYSA-N 294.354 3.740 0 40 CHAB O=C(Nc1cccc(OC2CCCC2)c1)c1ccoc1 29071143 NDVZHZDMDOXBPV-UHFFFAOYSA-N 271.316 3.853 0 40 CHAB Cc1ccc(C(=O)c2cccc(CN3CCCC3)c2)cc1 2515048 JXJITBYEPBSPES-UHFFFAOYSA-N 279.383 3.822 0 40 CHAB Cc1ccc(C(=O)c2cccc(CN3CCC3)c2)c(C)c1 2515122 QKDYKYFOTOPKDX-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1ccccc1Cl 2378491 WGJBQJLWYGAYNE-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB c1ccc(N2N=N[C@H]3[C@@H]4C[C@@H]([C@H]5CCC[C@@H]54)[C@H]32)cc1 4900828 DWLOBJXBLYSGOT-KXKVQDCLSA-N 253.349 3.677 0 40 CHAB NCC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 6645472 DCSAIHCINAREQI-HNNXBMFYSA-N 263.743 3.960 0 40 CHAB CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)c1ccccc1N 103009945 WSROWZALSNALOL-CXMBCZLWSA-N 273.376 3.640 0 40 CHAB CCc1ccc(C(=S)NCCc2ccc(OC)cc2)cc1 9188122 NIARQUZXLDMYCV-UHFFFAOYSA-N 299.439 3.765 0 40 CHAB CC(=O)OC[C@]12COC[C@H](C3=CCCC(C)(C)[C@H]3C1)[C@@H]2C 517227 AOWHBUFUMSNEAB-VYSRMENRSA-N 292.419 3.585 0 40 CHAB biogenic Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1Cl 3105237 WBDNQUALSGBYMB-UHFFFAOYSA-N 285.130 3.851 0 40 CHAB Cc1nc(-c2ccco2)sc1C(=O)Nc1ccccc1 24992103 XOKICVFWQFLSIO-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB COc1cccc2cc([C@H](C)NC(=O)C3CCCC3)oc12 25139535 NMVDLSNZUUIGAB-NSHDSACASA-N 287.359 3.809 0 40 CHAB CC(C)[C@H](C)N(C)C(=O)c1cnc(Cl)c(Cl)c1 35239145 BHLWCCGFTICKJR-QMMMGPOBSA-N 275.179 3.505 0 40 CHAB Cc1c(C(=O)O)n(Cc2ccccc2)c2ccccc12 107840819 XTRDAEAORUVFOD-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB Cc1cccc(NC(=O)N(C)CCOc2ccccc2)c1 12753939 SMDUODIDJZTDTH-UHFFFAOYSA-N 284.359 3.538 0 40 CHAB O=C(c1sccc1-n1cccc1)N1CCCCCC1 48331832 ZPBVRMDXIOZQQO-UHFFFAOYSA-N 274.389 3.555 0 40 CHAB COc1ccc2occ(CC(=O)Nc3ccccc3)c2c1 39882390 IWOMEZYNENNWIV-UHFFFAOYSA-N 281.311 3.623 0 40 CHAB CN(C)c1cccc(Oc2ccc(N)cc2Cl)c1 14630060 ZSQWTJGGLDEJKR-UHFFFAOYSA-N 262.740 3.781 0 40 CHAB COc1ccc(CN[C@H]2C[C@@H](C)c3ccccc32)cc1O 78553780 YVFRZIVDPQVFBE-WBMJQRKESA-N 283.371 3.739 0 40 CHAB CCn1cc(CN2CCCc3cc(Cl)ccc32)cn1 96003672 YQKOZCWOKJAEDW-UHFFFAOYSA-N 275.783 3.509 0 40 CHAB CCOC[C@@H](C)Nc1ccc(-c2nccs2)cc1 97084201 GBUIGLBKVGLHCB-LLVKDONJSA-N 262.378 3.647 0 40 CHAB C[C@H](NCC1(c2cccs2)CCCC1)c1cnccn1 95421411 ANJAGBBPAHMPKU-ZDUSSCGKSA-N 287.432 3.701 0 40 CHAB CC(C)N(c1ccc(C2=NCCCC2)cn1)C(C)C 72212967 DQVRBJAGJQOXNF-UHFFFAOYSA-N 259.397 3.678 0 40 CHAB COc1ccccc1-c1cc(-c2cccc(F)c2)nc(N)n1 71978117 NTIFNRKTYNFPMP-UHFFFAOYSA-N 295.317 3.541 0 40 CHAB C[C@H](Cc1cccs1)NC(=O)/C=C/c1ccccc1 33203591 FDTDXAZZFNOSOL-WTNCMQEWSA-N 271.385 3.509 0 40 CHAB Cc1cc(C)cc(OCCNC(=O)c2cc(C)ccc2C)c1 224109944 CTTVXRLCKVRPQQ-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB O=C(Nc1cccc(F)c1)c1snnc1-c1ccccc1 225759195 QQSGCMDYTQYHJW-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB CCN(CC)c1ccc(C(=O)CCCCCC(=O)O)cc1 43214152 GUVUATFFNDSZQJ-UHFFFAOYSA-N 291.391 3.751 0 40 CHAB CNC(=O)c1cc(N)ccc1Nc1cccc2ccccc12 225467866 APNCNTSXOLWCSL-UHFFFAOYSA-N 291.354 3.525 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1CCCCC1 224417319 OYGVBSABHGTYSU-LBPRGKRZSA-N 295.810 3.804 0 40 CHAB CC(C)Cc1sc(/C=C/C(=O)O)cc1Br 85394038 WIWYEZVVOWRULB-ONEGZZNKSA-N 289.194 3.807 0 40 CHAB C[C@H](NCc1cccc(OC(F)F)c1)c1cncc(F)c1 89520258 NLUPGGYRZZOFBH-JTQLQIEISA-N 296.292 3.673 0 40 CHAB C[Sn](C)(C)CCc1ccccc1 195756183 FHNCNJJJUCMUMC-UHFFFAOYSA-N 268.976 3.567 0 40 CHAB O=C(Nc1cc(-c2cccnc2)no1)c1ccccc1Cl 96183999 MCSIJZHWUVMBJK-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 256446021 NLOZVXGMIXPBOU-YDWBTVLJSA-N 290.447 3.671 0 40 CHAB Fc1cc(N2CCCCCC2)ccc1Br 95915893 RNHVNORIECCGKJ-UHFFFAOYSA-N 272.161 3.969 0 40 CHAB CC(C)Oc1cnc2c(Br)cccc2c1 685937833 VJWQSXOPTNWYGK-UHFFFAOYSA-N 266.138 3.785 0 40 CHAB CCc1ncc(C(=O)NC(C)(C)CC(C)(C)C)s1 65052435 UXFQRLNXKRNHNO-UHFFFAOYSA-N 268.426 3.650 0 40 CHAB C[C@@H](N[C@H](c1ccccc1)c1ccccn1)c1ccccn1 95349353 RDOQRUWYOYYMFD-DNVCBOLYSA-N 289.382 3.917 0 40 CHAB O=C(O)c1ccc(OCc2ccc(F)cc2)c(Cl)c1 7603898 CMABBBCWVZDPAA-UHFFFAOYSA-N 280.682 3.756 0 40 CHAB C[C@]12CC=CC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC(=O)[C@@H]2O 17380725 PCRFKLBZXMNBGB-PEMPUTJUSA-N 288.431 3.735 0 40 CHAB Cc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1 5539658 ZXXATPWHSZXCFV-DHZHZOJOSA-N 285.774 3.978 0 40 CHAB CCc1ccc(C(=O)CN2CCCc3ccccc32)cc1 1668848 ZQKQZDBUSMCHLK-UHFFFAOYSA-N 279.383 3.885 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)C12CC3CC(CC(C3)C1)C2 17876967 WKNPJADWMJGKKT-LYPFPBCHSA-N 275.436 3.992 0 40 CHAB CCCCN(CCCC)C(=O)Cc1ccccc1OC 2746544 JDJBFPBNMAWJRS-UHFFFAOYSA-N 277.408 3.667 0 40 CHAB CCC(=O)Nc1ccc2oc(-c3ccc(OC)cc3)nc2c1 20103083 AQMADHCBDLGPMB-UHFFFAOYSA-N 296.326 3.852 0 40 CHAB CCc1nc(CSc2nnc(SC)s2)cs1 40489553 SDECVOUCOMQEOY-UHFFFAOYSA-N 289.476 3.571 0 40 CHAB CCOc1ccccc1C(=O)Nc1cccc(C)c1C 128791 VMFKZAODSNRTSX-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 303443 MAPDXKOHKOWQCS-UHFFFAOYSA-N 295.411 3.888 0 40 CHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)CC(C)C)cc1 568324 LOCJLMYBUBYTSW-UHFFFAOYSA-N 299.418 3.612 0 40 CHAB CCc1cc(CC)c(-c2ccco2)c(COC(=O)NC)c1 1571586 DXOWUIZFKDQCJM-UHFFFAOYSA-N 287.359 3.927 0 40 CHAB C[C@@H]1CCc2onc(-c3nnc(-c4cccs4)o3)c2C1 2803360 WZHONVQTYGYQKQ-MRVPVSSYSA-N 287.344 3.578 0 40 CHAB O=C1C[C@H](c2ccccc2)O[C@@H](c2ccccc2)C1 3588812 CNCKPUJDRCRAJV-IAGOWNOFSA-N 252.313 3.849 0 40 CHAB C[C@H](CC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 296992 JEPMPPZEWSYCGJ-CYBMUJFWSA-N 282.339 3.834 0 40 CHAB Cc1nc2ccccc2cc1C(=O)Nc1ccccc1F 353067 BCRWMPQVDCJRCA-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB C[C@H](NC(=O)c1ccc[nH]c1=S)c1cccc(Cl)c1 10109331 JJRHAIWRFQKQLK-VIFPVBQESA-N 292.791 3.889 0 40 CHAB c1cc(OC2CCCC2)ccc1N[C@H]1CN2CCC1CC2 37016160 QTRZWNKSZCFYFU-SFHVURJKSA-N 286.419 3.514 0 40 CHAB Cc1nc(/C=C/C(=O)Nc2cc(Cl)ccc2F)cs1 9734786 BNIUTAVLSGPDOB-HWKANZROSA-N 296.754 3.896 0 40 CHAB O=C(NCC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 23876125 DSKXNBKRBRHWNH-GOSISDBHSA-N 295.382 3.653 0 40 CHAB S=c1[nH]cc(-c2ccccc2)n1Cc1ccco1 12505208 UDOSIFRCNNSQCV-UHFFFAOYSA-N 256.330 3.854 0 40 CHAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1F 24974797 GGZCFXCZUMIFDZ-UHFFFAOYSA-N 287.319 3.530 0 40 CHAB Cc1noc(C)c1CN(C(=O)c1ccco1)c1ccccc1 25884153 OEIRGKOWTWVLMM-UHFFFAOYSA-N 296.326 3.731 0 40 CHAB CCSc1nccn1-c1cccc(Cl)c1C 58634229 UGJYYLZFGMRKDU-UHFFFAOYSA-N 252.770 3.946 0 40 CHAB O=C(Cc1ccc2c(c1)CCCC2)NCCc1cccs1 12946394 OGCXVZPNPQCUES-UHFFFAOYSA-N 299.439 3.528 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nnc(C(C)C)s2)C1(C)C 26601284 VGSJKDUSHOPWAZ-QWRGUYRKSA-N 293.436 3.838 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)N1CCc2sccc2[C@@H]1c1ccccc1 13008561 MSQNGLNDSYJGFW-PVUWLOKVSA-N 297.423 3.878 0 40 CHAB O=Cc1ccc(-c2cccc(Br)c2)s1 4312926 XZSNNXGBKLEJKK-UHFFFAOYSA-N 267.147 3.990 0 40 CHAB O=C(Nc1ccc(Cl)cc1F)C1CCCCC1 6329713 SJVWFPSNVVNKCE-UHFFFAOYSA-N 255.720 3.998 0 40 CHAB CC(C)(C)c1cnc(CN2CCC[C@H](C(F)(F)F)C2)o1 65501297 PLQDFHHXYGRSIK-JTQLQIEISA-N 290.329 3.746 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C 6435790 QEHJUPGOGGULER-GYSYKLTISA-N 265.784 3.895 0 40 CHAB CCCCc1c(O)c2ccc(Cl)c(Cl)c2[nH]c1=O 6693637 CMJGPMDTTJSXAB-UHFFFAOYSA-N 286.158 3.883 0 40 CHAB COc1ccccc1NC(=O)c1nc2ccccc2s1 4739720 KECRABSHKXDFNO-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 6789406 NGRKFGXINSDSBA-UHFFFAOYSA-N 279.383 3.804 0 40 CHAB NC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 14735797 DEHPTWNECIZCBD-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC(C(C)C)C(C)C 20456528 VDOGHKDLIKENRT-HNNXBMFYSA-N 295.398 3.780 0 40 CHAB O=c1[nH]c(-c2cccnc2)nc2ccc(-c3ccccc3)cc12 69841242 LARHOJVWRDLWEM-UHFFFAOYSA-N 299.333 3.652 0 40 CHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1Cl 7214546 XXFZBKGHQUVMSU-CQSZACIVSA-N 287.746 3.594 0 40 CHAB CC1(C)C(C(=O)Nc2cc(F)ccc2F)C1(C)C 96319385 NOMIVMKOZMKHHX-UHFFFAOYSA-N 253.292 3.586 0 40 CHAB Cc1ccc([C@@H](NCc2cnn(C)c2)c2cccs2)cc1 97123798 CEUUJAIUNNTZLK-QGZVFWFLSA-N 297.427 3.669 0 40 CHAB Cc1ccc(C(=O)COCc2ccccc2)c(F)c1 310002773 FYIQQSDEWXDGNL-UHFFFAOYSA-N 258.292 3.534 0 40 CHAB O[C@H](c1ccccc1Br)C1CCCC1 43560641 KNJBVYDOFBWHQP-LBPRGKRZSA-N 255.155 3.673 0 40 CHAB COc1cc(N)cc(Cl)c1NC1CCCCC1 45958885 KYTZYBIGMIDQCG-UHFFFAOYSA-N 254.761 3.675 0 40 CHAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(Cl)c1 225732897 VZGASGDDTOSOMR-SNVBAGLBSA-N 269.772 3.657 0 40 CHAB CC[C@@H](C)NCc1ccc(Br)c(C)c1 85706614 WGQGDMXPICRIDX-SNVBAGLBSA-N 256.187 3.646 0 40 CHAB C[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 40160777 UUKALZGDWRYPOI-LBPRGKRZSA-N 265.784 3.531 0 40 CHAB Cc1ccc(C(=O)N2CCCc3ccc(F)cc32)s1 40117134 JXIFXJMVXHIWDB-UHFFFAOYSA-N 275.348 3.789 0 40 CHAB Cc1ccnc(NCc2ccccc2Br)c1 49942923 COYNSAOGBTWJPJ-UHFFFAOYSA-N 277.165 3.765 0 40 CHAB Cc1ccc([C@@H](C)NC(=S)Nc2ncccc2C)cc1 225470679 VKCLCXDJTWOFLE-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccccc1F 83264753 JMBRJZPOMZWSJC-GFCCVEGCSA-N 294.370 3.637 0 40 CHAB C[C@@H](SCCCn1ccnc1)c1cccs1 97375572 NOUBCEAKFGFTIS-LLVKDONJSA-N 252.408 3.829 0 40 CHAB O=C([C@H]1C[C@@H]1C1CC1)N(Cc1ccccc1)c1ccncc1 96499815 JJNGPKYYWGEOIL-MSOLQXFVSA-N 292.382 3.661 0 40 CHAB CC[C@H](C)n1nccc1CNc1ccn([C@H](C)CC)n1 256053563 RYWQDMBBVZQAOP-OLZOCXBDSA-N 275.400 3.634 0 40 CHAB CCCN(c1cc(Cl)cc(Cl)c1)[C@H](C)C(=O)O 260679676 VLMARNZTHAQNFT-MRVPVSSYSA-N 276.163 3.683 0 40 CHAB C[C@@H](Cc1ccoc1)NC(=O)CCSc1ccccc1 84829554 BNDHBOPUTNZVPI-ZDUSSCGKSA-N 289.400 3.509 0 40 CHAB CCc1ccc(CNC(=O)c2cccc3[nH]ccc23)cc1 96096704 JTDZJYAXDJPFIH-UHFFFAOYSA-N 278.355 3.660 0 40 CHAB O=C(O)CCCOc1ccccc1Cc1ccccc1 13609152 LYPUTLGZNYDLIO-UHFFFAOYSA-N 270.328 3.521 0 40 CHAB CSc1cccc(NC(=O)N[C@@H](C)C(C)C)c1 40023872 KPQDKVDALBZIPD-JTQLQIEISA-N 252.383 3.575 0 40 CHAB S=c1nc(Cc2cccs2)[nH]c2ccccc12 5757273 WVZXHCTUUKQZOK-UHFFFAOYSA-N 258.371 3.945 0 40 CHAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 12973093 IIQQETLIAJWBIO-WFASDCNBSA-N 282.387 3.530 0 40 CHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)C[C@@H](C)C1 16475837 MXNXUGZLEBGSEG-UPJWGTAASA-N 294.826 3.645 0 40 CHAB C(=C/c1ccccc1)\CNCCNC/C=C/c1ccccc1 19365692 OCPXRFLUCJRFJO-FNCQTZNRSA-N 292.426 3.592 0 40 CHAB C1=C(CN[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)COCC1 19373716 PTSYNSVXXOTRDY-FCGDIQPGSA-N 283.415 3.505 0 40 CHAB Fc1ccc(-n2cc([C@H]3Nc4ccccc4CO3)cn2)cc1 19375598 WVKYTEVBDJVCIK-KRWDZBQOSA-N 295.317 3.652 0 40 CHAB O=C(NC1CCCCC1)c1ccc(C(F)(F)F)cc1 363771 MFZGMXVMSNJYQZ-UHFFFAOYSA-N 271.282 3.768 0 40 CHAB CC(=O)O[C@@H](CCC(=O)c1ccccc1)c1ccccc1 3847939 BIKSEOXVNPFDBE-SFHVURJKSA-N 282.339 3.954 0 40 CHAB biogenic CC[C@H](C)NCc1ccc(OC2CCCC2)c(OC)c1 32123277 SVNDDZSCDFYYMP-ZDUSSCGKSA-N 277.408 3.905 0 40 CHAB COc1cc(C)c(C(=O)Cc2cccs2)cc1C 124961757 VYDQVYYPYCCUSW-UHFFFAOYSA-N 260.358 3.799 0 40 CHAB O=C(Cc1cccc2ccccc12)NCc1cccs1 99798 TUASADYVMJTSGJ-UHFFFAOYSA-N 281.380 3.760 0 40 CHAB O=C(c1cccc(F)c1)c1ccccc1CN1CCCC1 2515560 GCLGJLLOTWUOQO-UHFFFAOYSA-N 283.346 3.653 0 40 CHAB Cc1cc(C)cc(NC(=O)Cn2ccc3ccccc32)c1 6714491 WZQFLYQSPYNQSN-UHFFFAOYSA-N 278.355 3.897 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](C)SCc1ccccc1 6945552 MXQATGSBXVFYKO-OLZOCXBDSA-N 265.422 3.613 0 40 CHAB CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 7724202 JGMDPKZXYYVKCX-LBPRGKRZSA-N 287.334 3.794 0 40 CHAB COC1[C@H]2C=C[C@@H]1[C@H]1[C@@H]3CC[C@H](c4ccccc43)[C@H]21 101044730 ZKULZUFLJQGWTA-VZMNKUHDSA-N 252.357 3.724 0 40 CHAB O=C(NCCC1=CCCCC1)c1cc(-c2ccccc2)on1 32836674 XFRJTXGFPXLCMP-UHFFFAOYSA-N 296.370 3.962 0 40 CHAB COc1ccc(C)cc1NC(=O)Cc1c[nH]c2ccccc12 414139 GACIULGXFRPHCQ-UHFFFAOYSA-N 294.354 3.666 0 40 CHAB biogenic C[C@H](NC(=O)c1cccc2cccnc12)c1ccccc1 22389351 ONCDGNHWVSBALG-ZDUSSCGKSA-N 276.339 3.726 0 40 CHAB CC[C@@H]1CCCCN1c1cc(C)c(Br)cn1 42783502 ONQSNNIDGVCBFT-LLVKDONJSA-N 283.213 3.921 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105667306 RDPYUJVATKZBIE-UBDQQSCGSA-N 285.431 3.950 0 40 CHAB Cc1cc(F)ccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105925001 HSXVKRQMHHYFOB-AVGNSLFASA-N 261.340 3.899 0 40 CHAB Cc1ccc(-c2cc(C(=O)O)c3cnn(C(C)C)c3n2)cc1 12505097 JFJBTWMEPMYGPG-UHFFFAOYSA-N 295.342 3.686 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 57488100 BALCYIPIOCMKMO-LSVZVQIISA-N 299.414 3.568 0 40 CHAB O=C(COc1cccc2ccccc12)NCC1CCCCC1 3386308 FMBRWGJGPLOKGM-UHFFFAOYSA-N 297.398 3.915 0 40 CHAB CNC(=O)c1ccc(NCc2cccc(C)c2)cc1Cl 48658659 IILBDUXMNLWKOD-UHFFFAOYSA-N 288.778 3.620 0 40 CHAB CCCCCC(=O)Nc1cccc(NC(=O)CC)c1C 13011425 FGDAQFLFCDMCIM-UHFFFAOYSA-N 276.380 3.862 0 40 CHAB Cc1cccc(NC(=S)Nc2cccc(C(=O)O)c2)c1 13795599 INORHJMEZBHHBT-UHFFFAOYSA-N 286.356 3.502 0 40 CHAB O=C(/C=C/c1ccccc1Cl)NCc1ccccc1F 6260755 KHFSKNZXFLJSND-MDZDMXLPSA-N 289.737 3.809 0 40 CHAB O=C(Nc1ccnn1C1CCCC1)C1CCCCC1 39978501 ZSRLGUHAVJPFNP-UHFFFAOYSA-N 261.369 3.517 0 40 CHAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 14110085 YEMNVTZAZZLHFM-UHFFFAOYSA-N 279.339 3.630 0 40 CHAB O=C(c1cnc2ccc(Cl)cc2c1Cl)N1CCCC1 75490562 OZKQUWMFXBKOKX-UHFFFAOYSA-N 295.169 3.778 0 40 CHAB Clc1cnccc1CNC1(c2nccs2)CCCC1 83215382 LIVYLUHFPAZTDI-UHFFFAOYSA-N 293.823 3.751 0 40 CHAB Cc1csc([C@H]2CCCCN2C(=O)c2occc2C)n1 72273767 LTSOBQWQLSLQEI-GFCCVEGCSA-N 290.388 3.720 0 40 CHAB c1ccc(-c2ccc(CN[C@H]3CCN(C4CC4)C3)cc2)cc1 72274602 AUYDXWFPZHBGFD-IBGZPJMESA-N 292.426 3.680 0 40 CHAB Cc1cc(CN(C)C)cc(N[C@@H](C)c2ccncc2)c1 97038870 PLFMPQLKSISHJS-AWEZNQCLSA-N 269.392 3.625 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 20493409 WNNLXYAUHBKABL-CVEARBPZSA-N 297.398 3.948 0 40 CHAB CCCc1sc(NC(C)=O)nc1-c1ccc(F)cc1 408837016 XUVSCBRAZGYTPY-UHFFFAOYSA-N 278.352 3.860 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2C)c1 30877863 GIYLKORXPDARJT-UHFFFAOYSA-N 296.370 3.904 0 40 CHAB Cc1cc([C@@H]2CCCCN2CC(C)C)cnc1N(C)C 72218642 RACIHGSSNZCVDY-INIZCTEOSA-N 275.440 3.639 0 40 CHAB CCCN1CCC[C@H]1c1ccc(SCC)nc1 72217123 HTKYFDSUNVNCOG-ZDUSSCGKSA-N 250.411 3.741 0 40 CHAB Cc1cc(C(=O)O)cnc1SC1CCCCC1 72222787 RMTIDEZIXMIXKB-UHFFFAOYSA-N 251.351 3.513 0 40 CHAB CN(C(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1 40497239 GZJJQRKKBIVLOG-UHFFFAOYSA-N 268.291 3.584 0 40 CHAB CCc1ccc2oc(-c3ccc(O)c(OC)c3)nc2c1 226291067 RDBOZKDQZIABQF-UHFFFAOYSA-N 269.300 3.771 0 40 CHAB CCCOC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 45914354 STXPOQCWGYRRJG-UHFFFAOYSA-N 296.326 3.765 0 40 CHAB Cc1ccc(NC(=O)N2CC[C@@H]2c2ccccc2)cc1 47697681 OQCMULCBROKYEC-MRXNPFEDSA-N 266.344 3.974 0 40 CHAB OC1=N[C@@H](c2cc3ccccc3s2)N2CCCC[C@@H]12 95412095 MJEQZMDYVWFTAV-SMDDNHRTSA-N 272.373 3.725 0 40 CHAB Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](C)C1CCCCC1 96440281 ZQGFNOXTOIPSAN-WDEREUQCSA-N 293.411 3.620 0 40 CHAB CC[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccncc1 96478354 SUYUUTMRVMSOHG-IRXDYDNUSA-N 270.351 3.949 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(F)cc1 247976949 DCENHGZVVNSKFP-SMDDNHRTSA-N 281.396 3.613 0 40 CHAB CC(C)(C)Oc1cc(F)c(F)cc1Br 95915372 NYRSDWMYAQNNOT-UHFFFAOYSA-N 265.097 3.905 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccccn1 48945473 JTQXVOSJPOWQFB-HNNXBMFYSA-N 286.762 3.712 0 40 CHAB Cc1cscc1C(=O)Nc1ccc2c(c1)CCCN2 94248327 UNMUQEKSDCEGNQ-UHFFFAOYSA-N 272.373 3.667 0 40 CHAB CN1CCC([C@H]2c3ccccc3CCc3cccnc32)CC1 13775751 URXVQALXMZGZCV-IBGZPJMESA-N 292.426 3.654 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1 13994482 DHNZHPWSOXIFFQ-OAHLLOKOSA-N 269.344 3.791 0 40 CHAB COc1c(C)cccc1C(=O)Nc1cc(C)ccc1C 14258156 RIJRZUWXRGEGGM-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)ncn2C 162871735 LUIAINKMHMTPKL-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB CCCNCc1ccc(O[C@H](C)CC)c(OCC)c1 34815812 HZMLTWDSJPPVCN-CYBMUJFWSA-N 265.397 3.762 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1cccc(C(F)(F)F)c1C 575360344 GNJSASACDLEYQD-UHFFFAOYSA-N 288.265 3.538 0 40 CHAB O=C(Nc1ccccc1O)c1ccccc1C(F)(F)F 40476220 AOXJIDSQNUJXPN-UHFFFAOYSA-N 281.233 3.663 0 40 CHAB Cc1noc(NC(=O)Nc2ccccc2C(F)(F)F)c1C 1751452 FJYVMFQHPOBHRQ-UHFFFAOYSA-N 299.252 3.954 0 40 CHAB CC[C@H](C)n1c(C)nc2cc(C(F)(F)F)cc(N)c21 2028634 CQMWXYLMHOFJNM-ZETCQYMHSA-N 271.286 3.917 0 40 CHAB CCOc1ccccc1NC(=O)N(CC)Cc1ccncc1 20514344 GHDROFRVCRFNRP-UHFFFAOYSA-N 299.374 3.534 0 40 CHAB CCOC(=O)c1c(C)nc2[nH]c3ccccc3c2c1C 6655969 NVEUEDSTFRLNOV-UHFFFAOYSA-N 268.316 3.510 0 40 CHAB C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2O1 41155557 TUDNXLAEWSYOKX-LLVKDONJSA-N 287.746 3.768 0 40 CHAB Cc1ccc(NC(=O)c2cc(N)ccc2Cl)cc1C 20194128 AADFTWODEJNQDB-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CC=CCC1 52988375 WMPQSAXTDBEOKI-NEPJUHHUSA-N 261.390 3.550 0 40 CHAB COc1ccc(OCc2nc(-c3cccc(C)c3)no2)cc1 516052 RSYNKANZTQDPLD-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB CC(=O)OC[C@@]12COC(=C(C)C)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 100549657 XPUXDIZNNJHBTE-YOKBYHGQSA-N 278.392 3.708 0 40 CHAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999205 GZLMXKGDLFLCCX-ADSMDIBLSA-N 291.822 3.823 0 40 CHAB O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccco1 1278950 VFRGLKOREIOWJZ-UHFFFAOYSA-N 293.282 3.668 0 40 CHAB CC(C)(C)CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 29268800 RQBLZGNNKZQPOV-UHFFFAOYSA-N 299.418 3.705 0 40 CHAB O=C(Nc1cccc2cn[nH]c12)c1ccc2c(c1)CCCC2 25584733 WAZHOLRLBXREAI-UHFFFAOYSA-N 291.354 3.694 0 40 CHAB CC(C)SCC(=O)c1ccc(Br)cc1 36180139 MWRJUTBMXPUJGI-UHFFFAOYSA-N 273.195 3.773 0 40 CHAB Cc1n[nH]cc1CN[C@H](C)c1cccc(C(F)(F)F)c1 37898540 YRIKOKYLMYMRBP-SECBINFHSA-N 283.297 3.588 0 40 CHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 3422954 AHWHERZSWJRDNS-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB Cc1ccc(CCC(=O)N[C@H](C)c2cccnc2)c(C)c1 22692986 ZMAKEFGTZXJZGV-OAHLLOKOSA-N 282.387 3.508 0 40 CHAB CCn1c(=O)n(Cc2cccc(Cl)c2)c2ccccc21 14145451 KYWOTKBWDHAPKR-UHFFFAOYSA-N 286.762 3.525 0 40 CHAB COc1cc(NC(=O)C[C@H](C)c2ccccc2)cc(OC)c1 6588800 SQWCASBAHZIORS-ZDUSSCGKSA-N 299.370 3.836 0 40 CHAB c1ccc2c(OCC[C@H]3CCCCN3)cccc2c1 14632342 GBJFYVRQODIXHX-OAHLLOKOSA-N 255.361 3.751 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CC1 6882302 NYLPCGPONPUBPU-MRXNPFEDSA-N 293.410 3.856 0 40 CHAB Cc1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c(C)o1 15726259 ZLXQUUCKEQIONZ-UHFFFAOYSA-N 297.310 3.564 0 40 CHAB c1cncc(CNCCc2cccc3ccccc23)c1 19737632 JZJKIGWJDUVHCS-UHFFFAOYSA-N 262.356 3.567 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1-c1ccccc1 9499761 OKWGKZSFNMSVHZ-DOMZBBRYSA-N 251.329 3.948 0 40 CHAB CC1(C)C[C@]2(C)C[C@@H]1CN(C(=O)Nc1ccccc1)C2 113562730 UJPWYKJLSULERI-DYVFJYSZSA-N 272.392 3.977 0 40 CHAB COCc1nc(CN(C)[C@H](C)c2ccccc2F)cs1 72304864 HZBSFUSUFXCNET-LLVKDONJSA-N 294.395 3.622 0 40 CHAB Cc1nnc(CN(C)c2ccc(-c3ccccc3)cc2)o1 75915788 JDAKTUVVAFPUEA-UHFFFAOYSA-N 279.343 3.681 0 40 CHAB O=C(Nc1nccs1)N1CCCC[C@H]2CCCC[C@H]21 95457605 VQOQDXCGJZKHTC-VXGBXAGGSA-N 279.409 3.720 0 40 CHAB c1ccc2sc(SC3C[C@@H]4CC[C@H](C3)N4)nc2c1 95908599 OQUJVXCKWPPMOT-ZACCUICWSA-N 276.430 3.671 0 40 CHAB O=[S@](Cc1cc(-c2cccs2)on1)c1cccs1 95971749 CEINATHHHLTFTA-SFHVURJKSA-N 295.410 3.772 0 40 CHAB COc1cccc(-c2noc([C@@H]3C[C@H]3c3ccco3)n2)c1 89471393 BIFNTVXQFVRFNG-CHWSQXEVSA-N 282.299 3.609 0 40 CHAB CCN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O 409329141 CZXZJNCPSSCABT-LCYFTJDESA-N 291.372 3.530 0 40 CHAB CC(C)CN1CCC[C@@H]1c1ccc(OC(C)C)nc1 72211902 POQNGYIIPFTQAI-OAHLLOKOSA-N 262.397 3.662 0 40 CHAB CCN(CC)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222544231 LIDIOMGNPWMBGF-UHFFFAOYSA-N 293.798 3.753 0 40 CHAB Nc1cccc(-c2ncc(-c3ccc(F)cc3)o2)c1 226102953 FSIOFHNHEASHFZ-UHFFFAOYSA-N 254.264 3.730 0 40 CHAB CC[C@](C)(OC)C(=O)Nc1ccc(OC)c2ccccc12 225791801 LUMVPGRKCGRFAV-KRWDZBQOSA-N 287.359 3.602 0 40 CHAB CCc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210420 KFTSYCMSPCYPFV-UHFFFAOYSA-N 288.368 3.587 0 40 CHAB Cc1nnc([C@@H](C)N(C)Cc2cc(Cl)ccc2F)s1 225772716 PBSBMDVSNZIRDX-MRVPVSSYSA-N 299.802 3.832 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@H](C)COc2ccccc2C)c1 225394520 CPQZOPYWMXDRKO-MRXNPFEDSA-N 297.398 3.809 0 40 CHAB c1cnc2c(CSc3nccn4ccnc34)cccc2c1 193575437 XWTSBVWLJJPEES-UHFFFAOYSA-N 292.367 3.570 0 40 CHAB COc1ccc(NC(=O)CCc2ccc(OC)c(C)c2)cc1 225715787 DJXUMPJBNKOJRC-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB C[C@H]1CCN(C(=O)Nc2cccnc2)[C@@H](c2ccco2)C1 98015841 KMLYUADHQJJIAU-GXTWGEPZSA-N 285.347 3.680 0 40 CHAB N[C@@H]1CC2(CCC2)Sc2cc(Br)ccc21 238678273 IEODLMYQSBMIML-SNVBAGLBSA-N 284.222 3.867 0 40 CHAB CCOC(=O)c1ccc(OCc2ccccc2)cc1F 95915971 AWKINFMDDYTLLW-UHFFFAOYSA-N 274.291 3.581 0 40 CHAB Clc1ncnc2c1oc1ccc(Br)cc12 5514219 NCDDLSNDLAXLIV-UHFFFAOYSA-N 283.512 3.792 0 40 CHAB Cc1cccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 22506985 XTTLBOVWIRNBJH-UHFFFAOYSA-N 295.342 3.524 0 40 CHAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1CC1 14139327 MBGMDTYEBVTTSK-UHFFFAOYSA-N 292.791 3.664 0 40 CHAB COc1cccc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c1 1776009176 XHCWGODMMPAKRM-IRXDYDNUSA-N 297.398 3.799 0 40 CHAB CCCC(=O)Nc1nc2c(OC)ccc(Cl)c2s1 5256609 HBKYAYYDZMYOAU-UHFFFAOYSA-N 284.768 3.697 0 40 CHAB COc1cccc(C(=O)Nc2ccc(C3CC3)cc2)c1 9584618 ICYABYKKZPTTGC-UHFFFAOYSA-N 267.328 3.825 0 40 CHAB COc1ccc(OC)c(C(=O)CCc2ccccc2)c1 37353769 UIHUJOVDPJVEIT-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB CCCCOC(=O)c1ccc(-c2ccc(C(=O)O)o2)cc1 8729547 ZDKNHJANVMZBNN-UHFFFAOYSA-N 288.299 3.602 0 40 CHAB C[C@@H]1CC(=O)N(Cc2ccccc2F)c2ccccc2N1 21793473 RGZOEFMKCJWDFY-GFCCVEGCSA-N 284.334 3.563 0 40 CHAB O=C(Nc1ccc(O)cc1)c1cc(Cl)cc(Cl)c1 20211240 ALDCAXMUXZIAGJ-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB CC(C)(C)c1csc(NC(=O)c2cc(Cl)ccn2)n1 36779294 HXMHBWXHWHBAGD-UHFFFAOYSA-N 295.795 3.741 0 40 CHAB O=C(O)c1ccc2ccccc2c1C(=O)c1ccc(F)cc1 1600360 MTLLLPNFQHVOSU-UHFFFAOYSA-N 294.281 3.908 0 40 CHAB CCc1c(Nc2ccccc2Cl)[nH]c(N)nc1=S 1682336 SUEDSKHCJGLICR-UHFFFAOYSA-N 280.784 3.681 0 40 CHAB CCCCC(=O)c1cc(F)c(O)c(Br)c1 1712493 UFJABBBVDDWVEQ-UHFFFAOYSA-N 275.117 3.667 0 40 CHAB CC(C)(C)OC(=O)n1cccc1-c1ccccc1C(=O)O 2581097 IOMWQMNUUOAVMG-UHFFFAOYSA-N 287.315 3.637 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc3c(c2)CCC3)C1 20569334 VCQNPHWPNVCGRK-CHWSQXEVSA-N 272.392 3.685 0 40 CHAB Cc1c(Cl)cccc1NC(=O)/C=C/c1ccncc1 29107825 CKFOWQBTBOECLV-AATRIKPKSA-N 272.735 3.695 0 40 CHAB O=c1[nH]c2ccccc2n1Cc1cccc2ccccc12 6603262 ZQRCTLOCEDQZQJ-UHFFFAOYSA-N 274.323 3.531 0 40 CHAB CC[C@H](Oc1ccccc1F)C(=O)NC1CCCCCC1 8048889 KOVOLWDAVPJUEQ-HNNXBMFYSA-N 293.382 3.822 0 40 CHAB CC(C)c1ccccc1NC(=O)Cc1ccccc1 2628737 QLTQJWJYUJVVPT-UHFFFAOYSA-N 253.345 3.991 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C 451847 KZTSEDQDZCERJZ-MRVPVSSYSA-N 290.190 3.675 0 40 CHAB CC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 21841078 XVQGZXIIJJBVCG-UHFFFAOYSA-N 291.297 3.837 0 40 CHAB Cc1cc(C)n([C@H]2CCCC[C@@H]2OC(=O)c2ccccc2)n1 552185 HERYUPICABEHNB-IRXDYDNUSA-N 298.386 3.841 0 40 CHAB Cc1cccc2c1N[C@H](c1cnc(C3CCC3)s1)NC2=O 89688985 LWFOOLDCBQVAGT-AWEZNQCLSA-N 299.399 3.573 0 40 CHAB COC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 2734383 KIZWWGIQIODOJQ-UHFFFAOYSA-N 262.334 3.605 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1cc(F)c(Cl)cc1Cl 42673841 RHFOZDXALJMSIU-GJMOJQLCSA-N 290.165 3.966 0 40 CHAB CC(C)(C)c1ccc(OCCCCCCNCCO)cc1 23634225 UBONWBSRYHCVLN-UHFFFAOYSA-N 293.451 3.505 0 40 CHAB Cc1cc(OC[C@@H]2CCNC2)c(Cl)c(C)c1Cl 42773717 FNHFWHBWYGFVLF-SNVBAGLBSA-N 274.191 3.599 0 40 CHAB O=C(COCc1ccccc1)c1cccc(Cl)c1 50159322 ZARZWOGLTOSPOT-UHFFFAOYSA-N 260.720 3.740 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(C)c(C)s2)C1(C)C 24541727 RBPJHZRHEPDCCT-VXGBXAGGSA-N 278.421 3.937 0 40 CHAB Cc1cc(C)cc(N[C@H](C)C(=O)N(C(C)C)C(C)C)c1 57634908 KMBKUHKSFLTBDB-OAHLLOKOSA-N 276.424 3.749 0 40 CHAB COc1ccccc1CCC(=O)Nc1c(C)cccc1C 10109640 HGAQDWWCGAORBI-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CN(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CC1 49218189 KMJLJHGPNYPXQU-UHFFFAOYSA-N 298.820 3.759 0 40 CHAB CCCC(C)(C)NC(=O)c1sc(C(C)C)nc1C 65041421 GEHBHIXHHKQPJF-UHFFFAOYSA-N 268.426 3.883 0 40 CHAB S=c1oc2ccccc2n1CN1CCc2ccccc2C1 6208934 LQKACYKOCKUBCE-UHFFFAOYSA-N 296.395 3.980 0 40 CHAB Fc1ccc(CNC(=S)c2ccc(Cl)cc2)cc1 408572323 GEPJLCBCYBUQSB-UHFFFAOYSA-N 279.767 3.944 0 40 CHAB COc1ccc(F)cc1[C@@H](O)CSCc1ccccc1 6588540 MGVUUUTWPDELFG-HNNXBMFYSA-N 292.375 3.801 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1F 6559129 ALOSNWDRANRJMR-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(F)c2)cc1 5702083 KRNFJPNFHUQQMK-UXBLZVDNSA-N 285.318 3.795 0 40 CHAB CC(C)=CCc1cc(I)ccc1O 15043169 IATHVBOBDPRFCI-UHFFFAOYSA-N 288.128 3.506 0 40 CHAB O=C(Nc1ccc(Cl)cn1)[C@H]1C[C@H]1c1cccc(F)c1 67030288 AJFJKCYTLANBIX-STQMWFEESA-N 290.725 3.616 0 40 CHAB C[C@@H](Nc1ccccc1)c1nnc(-c2ccccc2)o1 9603025 LQVZECUPLRVIJA-GFCCVEGCSA-N 265.316 3.910 0 40 CHAB COc1ccccc1[C@@H](C)Nc1ncnc2ccsc12 8921592 QMUBZGTXSQIAFJ-SNVBAGLBSA-N 285.372 3.873 0 40 CHAB Cc1nc(CN[C@@H](c2cc(F)ccc2F)C2CC2)oc1C 95987510 WKHBAOTUWOHILU-MRXNPFEDSA-N 292.329 3.811 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCCCCC2)c1 20460952 XMIYTOAZQYNSFP-INIZCTEOSA-N 289.419 3.782 0 40 CHAB O[C@@](CCN1CCCCC1)(c1ccccc1)C1CCCC1 199 SWRUZBWLEWHWRI-IBGZPJMESA-N 287.447 3.940 0 40 CHAB biogenic,world O=C(c1ccc(F)cc1)c1ccccc1OC(F)(F)F 55199053 AQFXPUVPGNBDMN-UHFFFAOYSA-N 284.208 3.955 0 40 CHAB CCNCc1cn(Cc2ccccc2)nc1-c1cccs1 61003226 WKPXFYPWDHIDSR-UHFFFAOYSA-N 297.427 3.769 0 40 CHAB Cc1cccc2c(Nc3cccc(C(=O)O)c3)ccnc12 45928505 PPRCKZYKSZBMFI-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB CCCNCc1cccn1-c1ccc(C)c(Cl)c1 223687416 UIVYVQNWOMXGBB-UHFFFAOYSA-N 262.784 3.939 0 40 CHAB CC[C@]1(C)Oc2ccc(NCc3c(C)noc3C)cc2O1 191098377 ZASCVDPWSITNOM-MRXNPFEDSA-N 288.347 3.801 0 40 CHAB CNCCCNc1cc(C)nc2c(C)ccc(Cl)c12 222688889 VOWWOTBLQVHKLJ-UHFFFAOYSA-N 277.799 3.526 0 40 CHAB CC[C@@H](C)n1c(CCCO)nc2cc(Cl)ccc21 40407669 ZEAMABWLUNTWIB-SNVBAGLBSA-N 266.772 3.586 0 40 CHAB CCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225613316 QFGZHIGPTCFNDJ-QGZVFWFLSA-N 293.407 3.846 0 40 CHAB Cc1ccc(OCCNC(=O)c2ccc(C)c(C)c2)cc1C 225178013 NRWCFSZGGCMVQO-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB C[C@H](c1ccncc1)N(C)Cc1cnc2ccsc2c1 97375308 HFLYHUWEAIXAQD-GFCCVEGCSA-N 283.400 3.884 0 40 CHAB CCN(CC)CCCNC1C[C@H](C(C)C)O[C@@H](C(C)C)C1 524734827 BPDWPZDLLOSKQI-QZTJIDSGSA-N 298.515 3.536 0 40 CHAB CCc1[nH]c2ccc(OC(F)(F)F)cc2c(=O)c1CC 685938654 YIRUMGDDLCXHJU-UHFFFAOYSA-N 285.265 3.552 0 40 CHAB COC[C@](C)(NCc1ccc(Cl)o1)c1ccccc1 95943554 AUFNDSXWFISFSU-HNNXBMFYSA-N 279.767 3.584 0 40 CHAB CC[C@H](NC1CCOCC1)C(C)(C)c1ccccc1 95968493 STAGLHZQRMNDMT-INIZCTEOSA-N 261.409 3.511 0 40 CHAB O=C(O)/C=C\c1cc(C(F)(F)F)ccc1C(F)(F)F 16384593 MSTZFZJTSGSPPB-RJRFIUFISA-N 284.155 3.822 0 40 CHAB CSc1nsc(SCc2cc(C(C)C)on2)n1 1505840502 GTCOORHTJVNZTC-UHFFFAOYSA-N 287.435 3.664 0 40 CHAB O=C(NCC1CCCCC1)c1cc2ccccc2cc1O 12818363 UUSGBQTZGCXGLP-UHFFFAOYSA-N 283.371 3.856 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(C)c(F)c1 12945152 YTUVRSBKHVANEF-UHFFFAOYSA-N 257.308 3.949 0 40 CHAB CON(C)C(=O)c1oc2c(ccc3ccccc32)c1C 17792991 VKWBHIQWUCLARX-UHFFFAOYSA-N 269.300 3.528 0 40 CHAB Cc1ccc(COc2ccccc2/C=C/C(=O)O)cc1 6204533 NOQDXRCSKSAWKV-ZHACJKMWSA-N 268.312 3.672 0 40 CHAB Cc1ccc(OCCCC(=O)Nc2ccccc2)cc1 40858784 VPTWFRNGVJAKIH-UHFFFAOYSA-N 269.344 3.793 0 40 CHAB CCCNCc1ccc(OC2CCCC2)c(OC)c1 32113240 RDJARXZBNRBKJC-UHFFFAOYSA-N 263.381 3.516 0 40 CHAB Cc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 4661633 KMVPDCJPUSFZNS-JTQLQIEISA-N 286.400 3.829 0 40 CHAB Nc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1 84655097 HBOGPLJZSXJAJR-UHFFFAOYSA-N 259.312 3.965 0 40 CHAB O=C(O)CCC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 136215 FRKSRQAWMIEBEW-ASZHBFLOSA-N 287.197 3.585 0 40 CHAB Cc1ccn2cc(-c3cccc(NC(=O)C(C)C)c3)nc2c1 800930 SDFRHZKEPMIOKY-UHFFFAOYSA-N 293.370 3.904 0 40 CHAB c1ccc(CNc2ncncc2-c2ccccc2)cc1 1559173 NOFBUTZRADLMGA-UHFFFAOYSA-N 261.328 3.756 0 40 CHAB C[C@H]1CC(C)(C)N=C(c2ccc(C(C)(C)C)cc2)N1 1681486 JVXRNEHSONZKJO-LBPRGKRZSA-N 258.409 3.891 0 40 CHAB O=C(Nc1ccccc1)N1[C@H]2CCc3ccccc3[C@H]21 1708276 DILHHYVHNYYOIG-GWFKTICUSA-N 264.328 3.590 0 40 CHAB CN(CC(C)(C)[C@H](O)c1ccccc1)C(=O)c1ccccc1 1726977 NEJBKWYGQLTJPZ-QGZVFWFLSA-N 297.398 3.518 0 40 CHAB Cc1ccccc1OP(N)(=O)Oc1ccccc1C 3177042 DCDHMVZIJCDWEX-UHFFFAOYSA-N 277.260 3.828 0 40 CHAB COC[C@@H](C)Nc1ncnc2scc(-c3ccccc3)c12 3327555 KZGUJVZGBPKAKB-LLVKDONJSA-N 299.399 3.805 0 40 CHAB CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C 3846284 YOZCVQKUWBRLMA-BVUBDWEXSA-N 282.424 3.852 0 40 CHAB CC(C)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 21691608 ANDHJAZARPHFBV-UHFFFAOYSA-N 279.811 3.924 0 40 CHAB Cc1nc2cc(NCc3cccs3)ccc2n1C 535352 FYIIBIPOTHDWIV-UHFFFAOYSA-N 257.362 3.555 0 40 CHAB Clc1ccccc1C1=C[C@H](c2ccco2)n2ncnc2N1 101250844 MTMBQHSTTUCDSZ-CYBMUJFWSA-N 298.733 3.581 0 40 CHAB COc1ccc([C@@H]2OC3=Nc4ccccc4NC3=C2O)cc1 103921981 WTRRADZBMBKYKZ-INIZCTEOSA-N 294.310 3.692 0 40 CHAB CC(C)c1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 1460438 ZOFJNNXCDMMDND-ZIAGYGMSSA-N 295.448 3.762 0 40 CHAB CC(C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 34898364 MDBMYHGMBIGTDE-UHFFFAOYSA-N 289.310 3.543 0 40 CHAB Cc1ccc(SCC(=O)NCc2cccc(C)c2)cc1 10447451 AJNKZJJENDALBT-UHFFFAOYSA-N 285.412 3.712 0 40 CHAB Cc1noc(C)c1NC(=O)c1cc2ccccc2s1 58182709 KLCLCFJRSSNJIT-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB CN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1Cl 58568361 OYPRHNKQGIFSEN-UHFFFAOYSA-N 295.169 3.661 0 40 CHAB Cc1ccc(NC(=S)N(C)Cc2cccc(F)c2)cc1 3358005 CITRRXVEZBZWPQ-UHFFFAOYSA-N 288.391 3.963 0 40 CHAB COc1ccccc1CCC(=O)N[C@H](C)c1ccccc1 3304486 OGZXJULOSKMRFL-CQSZACIVSA-N 283.371 3.505 0 40 CHAB Cc1ccc(C)n1NC(=O)c1cccc(C(F)(F)F)c1 12854673 JCIIIJGIQGHGMY-UHFFFAOYSA-N 282.265 3.508 0 40 CHAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(F)c(F)c1 13011448 BWABVELBPAXPGV-UHFFFAOYSA-N 280.274 3.637 0 40 CHAB CCc1ccccc1NC(=O)C1=Cc2ccccc2OC1 5034288 VQJPVMMHGORINV-UHFFFAOYSA-N 279.339 3.664 0 40 CHAB CCOc1cccc2cc([C@@H](C)NC(=O)c3ccco3)oc12 8746096 ZBAFJJLMRHVNTJ-LLVKDONJSA-N 299.326 3.916 0 40 CHAB O=C(OCc1ccccc1)c1c[nH]c2ccccc12 7507838 SEQPSPZFEZDRLX-UHFFFAOYSA-N 251.285 3.525 0 40 CHAB Cc1ccc(Cl)cc1Nc1nnc(-c2ccncc2)o1 27752989 JDQKIHDKAZTXHD-UHFFFAOYSA-N 286.722 3.837 0 40 CHAB CCCCCC(=O)NCCCN(CC)c1ccccc1 71794554 CRWSQUAAPAAACH-UHFFFAOYSA-N 276.424 3.600 0 40 CHAB CSc1cccc([C@@H](N)c2ccc(F)c(F)c2)c1 71790396 LVQVJODXVMBRLF-CQSZACIVSA-N 265.328 3.735 0 40 CHAB CCCCNC(=O)c1ccc2nc(-n3cccc3)sc2c1 9532154 XANOWZWHBLCIKJ-UHFFFAOYSA-N 299.399 3.617 0 40 CHAB CCCCN(CCCC)CC(=O)Nc1cc(C(C)C)no1 72314818 ILNJEZPGAMOWLU-UHFFFAOYSA-N 295.427 3.639 0 40 CHAB CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O)c2)CCN1C 642881983 OZNRCLRGNIJCPX-KSZLIROESA-N 273.420 3.934 0 40 CHAB O=C(c1ccc(Cl)s1)C(F)(F)Br 307255117 AGXLRCKDABHPEJ-UHFFFAOYSA-N 275.501 3.572 0 40 CHAB C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O 4428377 RYWZPRVUQHMJFF-KSZLIROESA-N 268.356 3.736 0 40 CHAB biogenic,in-vitro CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(F)cc1 38880433 OFNHIOKKOUNWMH-KGLIPLIRSA-N 295.398 3.926 0 40 CHAB O=C(O)c1ccccc1Nc1ccnc2c(F)cccc12 78401451 VAQXWCWREIETEB-UHFFFAOYSA-N 282.274 3.816 0 40 CHAB CC[C@H](NC(=S)Nc1cc(C)ccn1)c1ccccc1 225482430 KBTNODSWCPBWAD-AWEZNQCLSA-N 285.416 3.828 0 40 CHAB COc1ccc2c(c1)N(C(C)(C)C(=O)O)C(C)(C)C[C@@H]2C 223205150 JYIZLRNCTBRAST-NSHDSACASA-N 291.391 3.651 0 40 CHAB Cn1c([C@H]2CCN(C3CCCCC3)C2)nc2ccccc21 49171166 GLJWWNMBQIYGKV-AWEZNQCLSA-N 283.419 3.695 0 40 CHAB biogenic,in-vitro C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(-c3ccccc3)cn2)O1 332180350 YQRLXUZCUIGCLE-XNJGSVPQSA-N 296.370 3.501 0 40 CHAB COc1cccc(C(=O)c2cc(C)c(C)cc2C)c1 86493975 GJMDORXFEWOVKP-UHFFFAOYSA-N 254.329 3.851 0 40 CHAB Oc1cccc2c(C(F)(F)F)cc(N3CCCCC3)nc12 685938473 UJMHYCFGDDGWHP-UHFFFAOYSA-N 296.292 3.950 0 40 CHAB CCCCN(C)C(=O)C1(c2cccc(F)c2)CCC1 44249986 RAMRSHZNPXAVLR-UHFFFAOYSA-N 263.356 3.506 0 40 CHAB c1ccc2oc(Nc3ccc(N4CCCCC4)nc3)nc2c1 65548230 HKZWEDOOWBMTDG-UHFFFAOYSA-N 294.358 3.957 0 40 CHAB CCOc1cc(OCC)c(C(=O)CC)cc1Cl 71464509 MAVLFWNMZMXSTP-UHFFFAOYSA-N 256.729 3.730 0 40 CHAB FC(F)(F)c1ccccc1CNc1cccnc1 19884123 CNFFUXKRWBMOOX-UHFFFAOYSA-N 252.239 3.713 0 40 CHAB CCCCOP(=O)(OCCCC)O[C@@H](C)C(C)=O 5784017 RZQZIYDSKPKWFW-LBPRGKRZSA-N 280.301 3.722 0 40 CHAB COc1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 13048339 KGSAGYLMMLANAN-GFCCVEGCSA-N 270.332 3.578 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(N)c2C)c1 19736300 LAQGVHCUQOJQBD-CQSZACIVSA-N 298.386 3.600 0 40 CHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1ccccc1 15554381 OLMHSWMRAMDWPC-QGZVFWFLSA-N 291.354 3.540 0 40 CHAB C[C@H](NCc1ccccc1Cl)c1ccc2c(c1)OCO2 19908256 RRHDOGCAQINUEW-NSHDSACASA-N 289.762 3.920 0 40 CHAB O=C(Nc1cnc2ccccc2c1)c1cc(Cl)ccn1 36660985 FRQRFEWWQLTJEL-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB CC(C)c1nnc(CN2CCC3(CCCCC3)CC2)o1 84631263 OGJCEFZWCKEHCP-UHFFFAOYSA-N 277.412 3.739 0 40 CHAB CC(C)CCN1C[C@@H](C)[C@](O)(c2ccccc2)C[C@@H]1C 3901498 NRNKPUIJZXENIG-RYRKJORJSA-N 275.436 3.651 0 40 CHAB CC(=O)c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1 10061071 GEFNWKLZOGWBNQ-UHFFFAOYSA-N 293.775 3.785 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 21993577 NILTWSDFGPHFMF-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB O=C(NCc1cc(-c2ccco2)cs1)[C@H]1CC=CCC1 1775968543 QELVICVJEMAOTR-LBPRGKRZSA-N 287.384 3.981 0 40 CHAB CC(=O)Nc1cccc([C@@H](C)NCc2ccsc2)c1 20187524 BCYBOTKXVAJPCF-LLVKDONJSA-N 274.389 3.557 0 40 CHAB Cc1ccc(N2C(=O)CS[C@@H]2c2cccs2)cc1 179814 APKXDQPJBFUYRN-CQSZACIVSA-N 275.398 3.835 0 40 CHAB CNC(=O)CC12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 1447063 NROLQNLNCXUXKL-BANKROOTSA-N 297.442 3.969 0 40 CHAB CC[C@](O)(CCN1CC2CCC(CC2)C1)c1ccccc1 1615841 PIVURKQKLSUAKN-TVPLGVNVSA-N 287.447 3.796 0 40 CHAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1OC 7609769 BDIUWSUBIQELSK-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB CCc1ccc(C)c(OC(=O)c2ccc(OC)cc2)c1 364013 TUGLBESNDPSALN-UHFFFAOYSA-N 270.328 3.785 0 40 CHAB CC(C)c1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccccc1 100228635 BRQNYTMTBOCHLP-CRAIPNDOSA-N 293.414 3.862 0 40 CHAB O=C1CCc2c(OCc3nc4ccccc4o3)cccc21 32865677 JKRDMIMRRBWYMZ-UHFFFAOYSA-N 279.295 3.536 0 40 CHAB Cc1ccc(C(=O)N2CCSc3ccccc32)cc1F 58003778 BNYNURUHWNNGJX-UHFFFAOYSA-N 287.359 3.887 0 40 CHAB CCC[C@H](C)N(C)C(=O)Nc1cccc(C(C)=O)c1 41638867 DAIBJNSUDXKOHW-NSHDSACASA-N 262.353 3.542 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1ccsc1 22392770 RLMRSUQLDQLKCH-UHFFFAOYSA-N 251.738 3.962 0 40 CHAB CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1=O 34058779 OOUVAHYYJVOIIB-XJKSGUPXSA-N 299.757 3.785 0 40 CHAB in-vitro Cc1nc(NCc2ccccc2)c2ccsc2n1 2886786 MRDUCVNDIZYFCZ-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB FC(F)(F)c1cnc(OCc2cncs2)c(Cl)c1 1392734 ZNDKGAHMCVYIOF-UHFFFAOYSA-N 294.685 3.789 0 40 CHAB Cc1nc(Oc2ccc(Cl)cc2)nc2c1CCC2 1394110 OAMFXMPQNICREK-UHFFFAOYSA-N 260.724 3.719 0 40 CHAB O=C1O[C@H](Nc2cccc(Cl)c2Cl)c2ccc#cc21 102813261 HCRTZKWMKIBUBT-ZDUSSCGKSA-N 292.121 3.875 0 40 CHAB CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 43654116 GEADBBFSUVRNPA-LBPRGKRZSA-N 297.358 3.528 0 40 CHAB Cc1ccccc1CNC(=O)[C@H](C)Oc1cccc(C)c1C 20495881 CQFOMMDZWLOPNH-INIZCTEOSA-N 297.398 3.696 0 40 CHAB Fc1ccc(OCc2noc(-c3cccs3)n2)c(F)c1 57996437 ZPYFAFPQZQWQHG-UHFFFAOYSA-N 294.282 3.655 0 40 CHAB CC(C)(C)c1nc(CN2CCC[C@H]2C2CCCCC2)no1 58208582 AXPMEHUGNPHDJN-AWEZNQCLSA-N 291.439 3.912 0 40 CHAB Cc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cn1 45029102 DSJLQUZIIZADLH-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB O=C(O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12505669 IVRXZOYVXJNYDZ-UHFFFAOYSA-N 283.258 3.846 0 40 CHAB O=C(Nc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 3120968 VNPGQWCAWFGPDK-UHFFFAOYSA-N 298.729 3.643 0 40 CHAB CCc1ccc2oc(=O)cc(CN3CCCC[C@@H]3C)c2c1 2352817 CJDJHMYQTVCDAS-ZDUSSCGKSA-N 285.387 3.730 0 40 CHAB biogenic O=C(Nc1ccccc1F)c1cccc2cccnc12 12913387 QYWZMJRIVGZINC-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB Cc1nc(CSc2nc(-c3ccccc3)n[nH]2)cs1 3550370 RGXKSGXNJSUVEY-UHFFFAOYSA-N 288.401 3.529 0 40 CHAB CC(C)(C)c1csc(NC(=O)Cc2ccc(F)cc2)n1 13330731 YIWWMGUQLQQLQA-UHFFFAOYSA-N 292.379 3.761 0 40 CHAB CCC(C)(C)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 3906338 ZGQNNYWYYKQQJO-UHFFFAOYSA-N 294.420 3.673 0 40 CHAB c1ccc(CN2CCc3nc4ccccc4cc3C2)cc1 4050323 BIGIFNAKNRWTPE-UHFFFAOYSA-N 274.367 3.793 0 40 CHAB CCOC(=O)/C=C/c1ccc(OCCC(C)C)c(OC)c1 62714852 FJOAWKKADDPZCB-VQHVLOKHSA-N 292.375 3.696 0 40 CHAB Cc1nc(N2CCCCC2)c2oc3ccccc3c2n1 4174249 FJRULYBKKSLFOS-UHFFFAOYSA-N 267.332 3.675 0 40 CHAB O=C(NC1C2CC3CC(C2)CC1C3)C1(c2ccccc2)CC1 14183905 UOAATJFGYDPHIK-UHFFFAOYSA-N 295.426 3.659 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C2=CC(=[N+]3CCCC3)CC(C)(C)C2)C1 15953134 FQMNXKJTBBWHTO-HZPDHXFCSA-N 289.487 3.916 0 40 CHAB CCCc1nn2c(C)c(-c3ccccc3)nc2s1 7994988 WTZJRPNVJPTTEA-UHFFFAOYSA-N 257.362 3.719 0 40 CHAB Fc1cccc(Cl)c1CNCCc1ccccc1 16479296 DGRZHZDIKBXQIJ-UHFFFAOYSA-N 263.743 3.811 0 40 CHAB CC(=O)c1ccc(OCc2ccc(Cl)nc2)cc1F 71879356 QWGXIGOQUQYCOL-UHFFFAOYSA-N 279.698 3.656 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cncc(Cl)c1Cl 97046992 UJUAXVRYIABHAW-QMMMGPOBSA-N 271.147 3.683 0 40 CHAB Cc1oc(-c2ccccc2)nc1CC(=O)Oc1ccccc1 24260608 OBPNFSZOLJGSGH-UHFFFAOYSA-N 293.322 3.798 0 40 CHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(C)cc2C)c1 65697799 XBOHLWJCDXILAA-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@H]2c2ccncc2)c1 32907366 TVWWZEARYRBRNR-INIZCTEOSA-N 281.359 3.759 0 40 CHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1(c2ccccc2)CCCC1 219953672 ZVBDCHABXKVITK-UXLLHSPISA-N 283.415 3.803 0 40 CHAB COc1ccc(C)c2sc(NCc3ccco3)nc12 75172869 FEUNAXFPQPCNKK-UHFFFAOYSA-N 274.345 3.818 0 40 CHAB CSc1nc(Cl)cc(-c2ccc(C)cc2)n1 76536044 ROSVBLXAXKYYNL-UHFFFAOYSA-N 250.754 3.827 0 40 CHAB Cc1ccc(F)cc1NC(=O)N[C@H](C)c1ccco1 48324452 VQKBXQRRWUYJBO-SNVBAGLBSA-N 262.284 3.610 0 40 CHAB Cc1cc(C)c(C)c(OCC(=O)NCC2=CCCCC2)c1 224266377 MOCCJDVFYULNRA-UHFFFAOYSA-N 287.403 3.607 0 40 CHAB CCCOCc1cc(C(=O)N[C@@H](C)CC)ccc1OCC 224702531 YLHZKEMXXLVNQF-ZDUSSCGKSA-N 293.407 3.540 0 40 CHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(CC)CC 224158380 ZFQCZUQEAYBZMP-KRWDZBQOSA-N 289.419 3.591 0 40 CHAB CCc1cc(Cl)ccc1OCC[C@@H]1CCCNC1 42770955 KQQHVVOVBRLXDD-LBPRGKRZSA-N 267.800 3.671 0 40 CHAB CC(C)CCN(C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 44488031 HJNPUYVBCCETAV-VXGBXAGGSA-N 279.346 3.860 0 40 CHAB Cc1cccc(O[C@@H](Cc2ccc(C)cc2C)C(=O)O)c1 225024952 VYGKTZJMVXOLEI-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CNc1ccc2nc(-c3ccc(OC)cc3)oc2c1 226271958 JIVTWFMXVPTGJU-UHFFFAOYSA-N 254.289 3.545 0 40 CHAB O=C(Nc1ccccc1[C@@H]1CC=NO1)c1cccc(F)c1 44928793 DDZWWZGKAHZFOL-HNNXBMFYSA-N 284.290 3.525 0 40 CHAB Cc1cccc(NC(=S)NC2CCCCCCC2)n1 225518419 BBCRGWVLQBSCNB-UHFFFAOYSA-N 277.437 3.789 0 40 CHAB COCc1ccccc1CNC(=O)Nc1cc(C)cc(C)c1 40097771 HUSZWZYZNBYCLL-UHFFFAOYSA-N 298.386 3.772 0 40 CHAB Cc1ccc(C)c(Nc2ccc(N)cc2C(=O)NC2CC2)c1 225465069 PSQHBDNFRGAMNW-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB CN(C)c1ccccc1C(=O)CCc1ccccc1 139016334 BOJMXOJJKARNSW-UHFFFAOYSA-N 253.345 3.568 0 40 CHAB CSc1cc(Br)cc(Br)c1 90413239 OFAQYBZJADFVPV-UHFFFAOYSA-N 282.000 3.934 0 40 CHAB in-vitro Cc1ccc(C(=O)Nc2ccc(N)cc2C)cc1Cl 63020997 VGYCUODZRANJPP-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Nc1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc1 5947264 IQUKOFFBEYEYEI-UHFFFAOYSA-N 283.762 3.834 0 40 CHAB COc1ccc(/C=C\c2ccc3ccccc3[n+]2C)cc1 16998604 LWTHOCBZFFQOLY-XFFZJAGNSA-N 276.359 3.843 0 40 CHAB O=c1[nH]c(-c2cccc3ccccc23)nc2ccccc12 17004426 PWLHUQRFCZDOQK-UHFFFAOYSA-N 272.307 3.743 0 40 CHAB CN(C)c1nc2ccccc2c(N)c1-c1ccccc1 18149292 ADYMNXMINPSVTR-UHFFFAOYSA-N 263.344 3.550 0 40 CHAB C1=C(CN[C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccccc2)COCC1 19373719 PTSYNSVXXOTRDY-INDMIFKZSA-N 283.415 3.505 0 40 CHAB CN(C)CC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 5043963 SGTNXLHDNKZGCR-BANKROOTSA-N 297.442 3.655 0 40 CHAB Cc1nc(CSc2nnc(C(C)C)n2C2CC2)cs1 32865336 IQICSLFQENJWGY-UHFFFAOYSA-N 294.449 3.794 0 40 CHAB CCN(CC(=O)Cc1ccccc1)c1ccccc1C 37331550 HLGYYHBJUXQXGT-UHFFFAOYSA-N 267.372 3.633 0 40 CHAB in-vitro Cc1c(NC(=O)c2ccc(Cl)cc2)cccc1C(=O)O 20138224 FARPRXXRAWNDJB-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB COc1ccc(NC(=O)C(C)(C)C)cc1C(F)(F)F 142009433 FBSOGGHQJVVQTP-UHFFFAOYSA-N 275.270 3.699 0 40 CHAB Cc1ccc(C)c(NC(=O)C2[C@@H]3[C@@H]2[C@@H]2CC[C@@H]3C2)c1 100071498 VDPKAVIQEVJVSR-UXOAXIEHSA-N 255.361 3.534 0 40 CHAB O=C(O)CC1(CC(=O)c2ccc(F)c(F)c2)CCCC1 40224350 DCGZKSFDHAQNNS-UHFFFAOYSA-N 282.286 3.573 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@H]2c2cc(C)on2)c1 40067694 BLJRVBSLIQQJCP-HNNXBMFYSA-N 285.347 3.660 0 40 CHAB COC(=O)c1c(CC=C(C)C)c(C)nc2ccccc12 51137 RDICXOQIXVZXKW-UHFFFAOYSA-N 269.344 3.839 0 40 CHAB COc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1 280093 YKKLGIOJPIFCCH-UHFFFAOYSA-N 290.388 3.803 0 40 CHAB CCN(CC)[C@H](C)[C@H](O)c1ccc2cccc3c2c1CC3 1592043 FXEIPEMCWVHOLS-YJYMSZOUSA-N 283.415 3.702 0 40 CHAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 3983933 ULAADVBNYHGIBP-VMXHOPILSA-N 286.415 3.912 0 40 CHAB in-vitro CC(=O)OCC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 4042738 WAZIVOKZWOLZGT-CIRFHOKZSA-N 296.451 3.933 0 40 CHAB biogenic Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2F)cc1C 8480330 OEYCHZNCPPOUSZ-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CCc1nnc2c3cc(-c4ccccc4)sc3nc(C)n12 351584 UBPZFIOPVPLADF-UHFFFAOYSA-N 294.383 3.877 0 40 CHAB Cc1ccccc1NC(=O)c1sc(Cl)nc1C 385222 DYZDOJDKTQFGSO-UHFFFAOYSA-N 266.753 3.666 0 40 CHAB CC(C)c1ccc(NC(=O)OCC(F)(F)F)cc1 32628872 LMCRAOMXMABBMZ-UHFFFAOYSA-N 261.243 3.921 0 40 CHAB in-vitro CN(Cc1nc2ccccc2s1)C(=O)CC1CCCC1 32740963 VOLIAVXGBGLDMO-UHFFFAOYSA-N 288.416 3.835 0 40 CHAB Cc1cccc(N/N=C2\C=CC(=O)c3ccccc32)c1 107377828 SLYLLQOLFZMPMJ-KNTRCKAVSA-N 262.312 3.564 0 40 CHAB CSCC(=O)Nc1ccccc1-c1ccccc1 9478986 HDMMRALTUAPABA-UHFFFAOYSA-N 257.358 3.655 0 40 CHAB O=C(CCc1ccccc1)NCc1ccc(Cl)cc1 2737833 ONGGYAUQXMHBQS-UHFFFAOYSA-N 273.763 3.589 0 40 CHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)[C@H]1CC=CCC1 54298882 VZHRYSHEBIHMBX-KGLIPLIRSA-N 294.398 3.970 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 22538076 DAEDXGCZYKNGSB-LBPRGKRZSA-N 287.334 3.634 0 40 CHAB Fc1cccc(-n2cnnc2-c2ccccc2Cl)c1 12551139 ULGQPBNDALLTFF-UHFFFAOYSA-N 273.698 3.727 0 40 CHAB CCCCCCC(=O)Nc1ccc2nccnc2c1 28568298 PRKPBMYNPHOOOT-UHFFFAOYSA-N 257.337 3.539 0 40 CHAB O=C(CSc1ccc2ccccc2c1)Nc1ccncc1 12510838 YAYIQENNTMAGSX-UHFFFAOYSA-N 294.379 3.966 0 40 CHAB CCc1cccc(C)c1NC(=S)NC(C)(C)C 60068809 SGBQCWDEQNVMJI-UHFFFAOYSA-N 250.411 3.642 0 40 CHAB CCOC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 20160547 QUCGEQUZVQGCCB-UHFFFAOYSA-N 294.306 3.637 0 40 CHAB Cc1cccc(CNC(=O)[C@@H](C)SCc2ccccc2)c1 10447500 YHGCBOJAWUJZLY-OAHLLOKOSA-N 299.439 3.933 0 40 CHAB Nc1ccc(/C=C/c2ccnc3ccccc23)c(N)c1 17004582 CDOBUXAOEVPRNM-AATRIKPKSA-N 261.328 3.570 0 40 CHAB CCCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 13329000 YBDCJYANPKFWNC-LBPRGKRZSA-N 254.761 3.500 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)c1ccccc1F 7830224 NOUBHUKBBBAOSW-JTQLQIEISA-N 275.348 3.647 0 40 CHAB O=C(O)c1cc2sccc2n1Cc1ccccc1F 5000275 DSKJLJDQKVXPSH-UHFFFAOYSA-N 275.304 3.588 0 40 CHAB CSc1cccc(NC(=O)N[C@@H](C)c2ccccn2)c1 13744666 HQBNVPZSQAEBNE-NSHDSACASA-N 287.388 3.686 0 40 CHAB O=C(NCc1ccccc1Cl)c1cccc2ncccc12 14290929 ZQPWVLXUNAGGNI-UHFFFAOYSA-N 296.757 3.818 0 40 CHAB O=c1oc2c(c(O)c1-c1ccccc1)-c1ccccc1CC2 6557693 PWOQSDSNEARVPR-UHFFFAOYSA-N 290.318 3.778 0 40 CHAB COc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 6583590 ROTKHWBQINYZDC-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N(C)C2CCCCC2)cc1 22533065 HWGYICAKHQZXLA-AWEZNQCLSA-N 275.392 3.553 0 40 CHAB CCc1ccc(CC(=O)Nc2ccccc2CC)cc1 129842013 XYDHWVPNZXHEDN-UHFFFAOYSA-N 267.372 3.993 0 40 CHAB COc1ccc(-c2cc(Cl)nc(C(C)C)n2)cc1OC 78401138 BVVYIVZTHPLKCO-UHFFFAOYSA-N 292.766 3.938 0 40 CHAB CC[C@@H](Nc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C 72207615 ZMQWDSNVWJAVAT-GXTWGEPZSA-N 278.396 3.790 0 40 CHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1(c2ccccc2)CCCC1 219953503 ZVBDCHABXKVITK-BFYDXBDKSA-N 283.415 3.803 0 40 CHAB Cc1ccc(-c2cc(-c3ccccc3C)nc(N)n2)o1 71978086 DZISBENLUQKVLN-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB COc1cccc(CNC(=O)Nc2ccccc2Cl)c1 43465586 JZZWQEQBUVVBQU-UHFFFAOYSA-N 290.750 3.670 0 40 CHAB NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 42947778 WAVNJCYHNSLOSR-HNNXBMFYSA-N 261.752 3.557 0 40 CHAB O=C(O)c1sc2c(F)c(F)c(F)cc2c1Cl 228953371 HKZZPXGEBBCQAB-UHFFFAOYSA-N 266.627 3.670 0 40 CHAB FC(F)(Cl)Oc1cccc(Br)c1 95215773 CLYKONGAYWREHE-UHFFFAOYSA-N 257.461 3.617 0 40 CHAB CS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccccc2F)C1 98019221 ARKFUXISIAKFLU-GHMZBOCLSA-N 282.384 3.574 0 40 CHAB C[C@@H]1CC[C@@H](Nc2ccc(Cl)c(C[S@](C)=O)c2)C1 97371133 JMTKTTABRFRNOL-AJLCLMPTSA-N 285.840 3.819 0 40 CHAB O=C(CCN1CC[C@H]2CC[C@@H](C2)C1)c1ccc(F)cc1 101860972 IBZZHWLMRZEEDI-KGLIPLIRSA-N 275.367 3.521 0 40 CHAB Cc1ccc(CN[C@H](C)c2cnn(C)c2C)cc1Cl 193733489 LZDZNIFWKJWEKY-LLVKDONJSA-N 277.799 3.541 0 40 CHAB O=c1cc(C(F)(F)F)c2cc(C(F)(F)F)ccc2[nH]1 36471898 YTKDEBKHCAECQO-UHFFFAOYSA-N 281.155 3.566 0 40 CHAB Nc1nc2c(Cl)c(Cl)c(Br)cc2s1 12937726 NBKQQCCRDODMQE-UHFFFAOYSA-N 297.992 3.948 0 40 CHAB Cc1ccc(NC(=S)N2CCCCCC2)c(C)c1 13827783 CNYGPOCOOAYDDX-UHFFFAOYSA-N 262.422 3.876 0 40 CHAB Cc1ccc(C)c(S[C@H](C)C(=O)NC2CCCC2)c1 14185349 KLGBHFNCLMXFMT-CYBMUJFWSA-N 277.433 3.843 0 40 CHAB COc1ccc(C)cc1NC(=O)Nc1cccc(C(C)=O)c1 17024504 IGFXOXLPMYKKJJ-UHFFFAOYSA-N 298.342 3.850 0 40 CHAB O=C1O[C@H](c2ccc(F)cc2)C=C1Nc1cccc(F)c1 100326561 KMFLDPJWZWNBAA-HNNXBMFYSA-N 287.265 3.559 0 40 CHAB C[C@@H](Cc1ccccc1)N[C@H](C)Cc1ccccc1 1765639 XIZFJFZATSHCAL-IYBDPMFKSA-N 253.389 3.838 0 40 CHAB in-vitro Oc1ccc([C@@](O)(Cc2ccccc2)c2ccccc2)cc1 6344328 LQDKHIMEMDNRPO-HXUWFJFHSA-N 290.362 3.871 0 40 CHAB in-vitro CC(C)(C)c1ccc(OCCC2CCNCC2)cc1 14632394 RAPBAPJAFSDHLW-UHFFFAOYSA-N 261.409 3.753 0 40 CHAB in-vitro CSCCSc1nnc(C)n1C1CCCCC1 6937119 VZLXTGQMHGWNMJ-UHFFFAOYSA-N 271.455 3.547 0 40 CHAB CCOc1ccc(Nc2cc(C(F)F)nc(C)n2)cc1 1888882040 ZNMBIUNNQWKSLI-UHFFFAOYSA-N 279.290 3.865 0 40 CHAB Cc1nc2ccc(NC(=O)c3ccsc3)cc2s1 10784290 NFIPVZCXLCJIAH-UHFFFAOYSA-N 274.370 3.919 0 40 CHAB Brc1ccc(N2CCCCCC2)cc1 21995223 RBHZEKVOXNJZPE-UHFFFAOYSA-N 254.171 3.830 0 40 CHAB Cc1ccc(S)c(C(O)(C(F)(F)F)C(F)(F)F)c1 1559255 HFCVFXFBFNGDDU-UHFFFAOYSA-N 290.228 3.596 0 40 CHAB COc1ccccc1NC(=O)c1cc(Cl)ccc1OC 272958 HLMVKEUIFRPFAB-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB Cc1ccc(NC(=S)Nc2cccc3cnncc23)cc1 6044371 AIQJDKXJFVULQQ-UHFFFAOYSA-N 294.383 3.747 0 40 CHAB Cc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1F 11750454 POAVHAGYIZLNDA-UHFFFAOYSA-N 283.346 3.596 0 40 CHAB c1ccc([C@@H]2C[C@H]2c2nc3c4ccccc4ncn3n2)cc1 2806337 QXEYATMVHAUKCN-LSDHHAIUSA-N 286.338 3.549 0 40 CHAB O=C(CCNc1ccc(F)c(F)c1F)c1cccs1 732268 LBZPVDMRWVXYIV-UHFFFAOYSA-N 285.290 3.850 0 40 CHAB Cc1ccn(-c2ccc(NC(=O)c3sccc3C)cc2)n1 28303519 HRUHYBMOLSSMLH-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB O=C(Nc1cc(Cl)ccc1-n1cccc1)c1ccccn1 61720910 HIIDMDLZNAWWDN-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB O[C@@H](Cc1nc2ccccc2s1)c1ccccc1 24013627 OGBGGQCTNRJNCT-ZDUSSCGKSA-N 255.342 3.572 0 40 CHAB O=C(Nc1ccc2ccccc2n1)[C@H]1C[C@H]2CC[C@H]1C2 105555824 KIUHGTDANJBXLB-UBHSHLNASA-N 266.344 3.610 0 40 CHAB Cc1ncsc1C(=O)N1CCCSc2ccccc21 55010450 LDNMKIBGFJLQFV-UHFFFAOYSA-N 290.413 3.594 0 40 CHAB CS[C@@H](C(=O)Nc1ccc(C)c(O)c1)c1ccccc1 178766282 RDOGMRDORHKQPI-OAHLLOKOSA-N 287.384 3.743 0 40 CHAB O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 34939269 JJVOPJNIGSYPNV-VHSXEESVSA-N 278.739 3.575 0 40 CHAB in-vitro Cc1ccc(-c2nnc(Nc3ccccc3)o2)cc1 1507332 KDFNGFSYMPCHFO-UHFFFAOYSA-N 251.289 3.789 0 40 CHAB CCCCNC(=O)c1sc(-c2ccc(F)cc2)nc1C 26939069 AIWALLLTFGHYJG-UHFFFAOYSA-N 292.379 3.788 0 40 CHAB C[C@@H](S[C@H]1CCCc2ccccc21)C(=O)N1CCCC1 58017923 LAQSESNANADXLH-CJNGLKHVSA-N 289.444 3.808 0 40 CHAB Cc1cccc(CSCC(=O)Nc2ncc(C)s2)c1 7777549 NNKZVRMLJVBWFS-UHFFFAOYSA-N 292.429 3.632 0 40 CHAB Cc1occc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 48353937 FFOIWBBUASDPHM-SNVBAGLBSA-N 261.296 3.560 0 40 CHAB CCC(CC)c1nnc(NC(=O)C2CCCC2)s1 3558590 MJIYMCNTUGQRSB-UHFFFAOYSA-N 267.398 3.570 0 40 CHAB CC(=O)c1ccccc1OCC(=O)Nc1ccc(C)cc1C 6051932 MJZSYXPYMXQVEV-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB CCCc1sc(=N)n(C)c1-c1ccc(C)c(C)c1 409225670 QVTUNLZJIOFTSW-UHFFFAOYSA-N 260.406 3.802 0 40 CHAB Cc1ccc(NC(=O)CSCc2cccs2)c(O)c1 7540483 BIXJKQLQLJPTAW-UHFFFAOYSA-N 293.413 3.634 0 40 CHAB FC(F)(F)c1cccc(-n2cnc(Br)c2)c1 72193532 LEDLFWRUKMGVGJ-UHFFFAOYSA-N 291.070 3.654 0 40 CHAB CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1 75093516 PFFFREGSLOBSEH-OLZOCXBDSA-N 283.824 3.744 0 40 CHAB CN1CCC[C@@H]1c1cccnc1SC(C)(C)C 72217407 FKHNWBAOQJNUMU-GFCCVEGCSA-N 250.411 3.739 0 40 CHAB Cc1cccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)c1C 71978983 WQEGTGSULWSLGZ-KRWDZBQOSA-N 294.354 3.695 0 40 CHAB Cc1c(CO)c2ccccc2n1Cc1ccc(F)cc1 36406822 MWZBQRJPJWTTOY-UHFFFAOYSA-N 269.319 3.629 0 40 CHAB Cc1cc([C@H](N)c2ccccc2)cnc1NC(C)(C)C 72222936 LTWPMTCFBIOUAR-OAHLLOKOSA-N 269.392 3.649 0 40 CHAB CC(=O)N1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217594 DVCMIHHYKZDWMN-MRXNPFEDSA-N 298.411 3.916 0 40 CHAB O=C(NCCCc1ccccc1)c1cccc2[nH]ccc12 37719757 SJEDYUKQPOWZTL-UHFFFAOYSA-N 278.355 3.531 0 40 CHAB Cc1cc(CSc2nnc(-c3ccccc3C)o2)on1 32389697 IOWJYAGLEXAUSC-UHFFFAOYSA-N 287.344 3.634 0 40 CHAB CC(C)n1cc(CC(=O)Nc2cccnc2)c2ccccc21 79487137 FLTASLYRSXDTPL-UHFFFAOYSA-N 293.370 3.798 0 40 CHAB COc1cc2c(cc1OC)C(C)(C)CN[C@@H]2c1ccccc1 41498076 CSBSKOYHZJQRMM-GOSISDBHSA-N 297.398 3.674 0 40 CHAB Cc1ccc(Cc2ccc(CO)n2CC(C)C)cc1 226029402 MCUWNOWKWOFRBV-UHFFFAOYSA-N 257.377 3.536 0 40 CHAB Cc1cccnc1C(=O)c1ccc(C(F)(F)F)cc1 45028660 XAEJBIVJYGXENH-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB CCOc1ccc(C(=O)N2CCCc3ccccc32)cc1C 225378830 GQCYPBDHFNGITI-UHFFFAOYSA-N 295.382 3.987 0 40 CHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cccs1 48673636 JJPLZWCLAHCRRH-UHFFFAOYSA-N 295.429 3.580 0 40 CHAB Cc1ccccc1-c1ncc(-c2cccc(N)c2)o1 226102810 OGOHUJAJMYUGGV-UHFFFAOYSA-N 250.301 3.899 0 40 CHAB O[C@@]1(C(F)(F)F)CCCc2ccc(Br)cc21 222270668 JOHJSZNJDLIQQH-JTQLQIEISA-N 295.098 3.535 0 40 CHAB CCC(C)(C)NC(=O)C1(c2ccccc2)CCCC1 223534694 VNZTVZPXVKNLCU-UHFFFAOYSA-N 259.393 3.803 0 40 CHAB Cc1sc(Cl)nc1C(=O)NCCC1=CCCCC1 96232757 LASJGQUHQKIYTA-UHFFFAOYSA-N 284.812 3.725 0 40 CHAB Cc1cccc2cc(C(=O)N3CCCCCC3)oc12 148073485 KRBCCPMOIGCYHJ-UHFFFAOYSA-N 257.333 3.757 0 40 CHAB CCOC(=O)CSc1cc(C)nc2c(C)cccc12 98087183 YDZNHDDVHALNNF-UHFFFAOYSA-N 275.373 3.507 0 40 CHAB CC[C@@H](NC[C@H](O)c1ccccc1F)c1ccccc1 51627807 GDODAEBSPVPAIU-SJORKVTESA-N 273.351 3.600 0 40 CHAB CNCC[C](Oc1ccccc1C)c1ccccc1 1560411700 XSBRZGNMAOAINK-UHFFFAOYSA-N 254.353 3.564 0 40 CHAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)O 11893763 CHESPMUHLLVPAV-YFKPBYRVSA-N 251.134 3.559 0 40 CHAB CCCCCNC(=O)CCSCc1ccccc1 13688096 LRAYJDDYIMLNMN-UHFFFAOYSA-N 265.422 3.616 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCc1ccccc1 14013208 LIQVAKUJNLUOQB-GOSISDBHSA-N 297.398 3.511 0 40 CHAB Cc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)n1 14683643 FEXZMMHQONOADG-UHFFFAOYSA-N 284.359 3.677 0 40 CHAB Fc1cc(F)cc(NC(=S)Nc2ccccc2F)c1 17515664 UVJFIRGBANQGRU-UHFFFAOYSA-N 282.290 3.913 0 40 CHAB CCC(CC)NCc1ccccc1Br 19884083 YSEVQKZKXDUWBV-UHFFFAOYSA-N 256.187 3.727 0 40 CHAB CCNCc1ccc(OCc2ccccc2)c(OCC)c1 6497333 LAESPISOUQUKSQ-UHFFFAOYSA-N 285.387 3.774 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2C(C)C)ncc1F 1888880076 WTYCSIOTHFEGRZ-UHFFFAOYSA-N 272.323 3.905 0 40 CHAB COc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 3218701 CHGADRJFIXIABJ-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB Cc1[nH]c2ccc(Cl)cc2c1CCNCc1cccnc1 36657738 YCDFOVZCKHTUAD-UHFFFAOYSA-N 299.805 3.857 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1cc(F)ccc1F 37354008 QBDHQPZHOOSTPB-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB C[C@H](NC(=O)CCNc1ccccc1)c1ccccc1F 40069629 OKPGPIVSXJPPCW-ZDUSSCGKSA-N 286.350 3.505 0 40 CHAB COc1cccc2sc(NCC(=O)c3ccccc3)nc12 151657 JNHWMTNWLWEUBE-UHFFFAOYSA-N 298.367 3.600 0 40 CHAB Cc1sc(N)c(C(=O)c2ccccc2Cl)c1C 415537 LERBRJLVKFXYFJ-UHFFFAOYSA-N 265.765 3.832 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccccc1CN1CCC1 2515612 LRZLERVOVRFNRL-UHFFFAOYSA-N 285.774 3.777 0 40 CHAB Cc1ccc(NC(=S)NCCCc2ccccc2)cc1 7530098 SZDHCEQLNHNSPC-UHFFFAOYSA-N 284.428 3.914 0 40 CHAB C[C@@H]1CCC[C@H](N2CNc3nc4ccccc4n3C2)[C@@H]1C 537446 KHXBHMXDHPEFQC-NFAWXSAZSA-N 284.407 3.504 0 40 CHAB Cc1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1C 104614541 QKSAERJCNVHPDQ-QAQJPARQSA-N 299.414 3.573 0 40 CHAB CCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2C 59415878 MBWQXTDVCVSNFY-UHFFFAOYSA-N 289.375 3.842 0 40 CHAB CCCNC(=O)c1cc2c(c3ccccc3n2C)n1C(C)C 63527563 VERDRIYERZIQQP-UHFFFAOYSA-N 297.402 3.854 0 40 CHAB O=C(Nc1ccccc1F)c1cc(-c2ccc(F)cc2)[nH]n1 24961920 RKFKLDHFRLQYEP-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB CC1CCC(NC(=O)c2sccc2-n2cccc2)CC1 25152176 PDGPHLBVNYYARX-UHFFFAOYSA-N 288.416 3.847 0 40 CHAB O=C(OCc1c(F)cccc1Cl)c1ccccc1O 3271592 MCWUJZYJLKPTAH-UHFFFAOYSA-N 280.682 3.542 0 40 CHAB CCc1noc(C)c1C(=O)Nc1ccc2c(ccn2CC)c1 58278729 NNEMFGULEPXGEE-UHFFFAOYSA-N 297.358 3.772 0 40 CHAB Cc1ccc(C(=O)c2cc(Cl)ccc2Cl)nc1 45028572 MDSNCMKRQMRKAC-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 3381512 DOGIMKFPUPJJDX-KRWDZBQOSA-N 281.355 3.503 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)NCCc1cccs1 12816237 DVAMPKPMNKNNCG-VMPITWQZSA-N 291.803 3.774 0 40 CHAB Cc1cc(NC(=O)CCS[C@@H](C)c2ccccc2)no1 12919285 NSBWNRPACHQBLY-LBPRGKRZSA-N 290.388 3.806 0 40 CHAB C[C@H](O)c1nc2ccc(-c3cccc4cccnc34)cc2[nH]1 67435061 AWSHEGAPPCRVOM-NSHDSACASA-N 289.338 3.831 0 40 CHAB Cc1ccccc1Cn1cc(NC(=O)c2cccs2)cn1 27920233 BFEITIVFMNMGGC-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)s1 13745638 SACMWSKHUSPZTQ-YUMQZZPRSA-N 260.790 3.560 0 40 CHAB Sc1nnc(-c2cc3cc4ccccc4nc3s2)o1 6393443 RXRRYBKRCYVNIN-UHFFFAOYSA-N 285.353 3.788 0 40 CHAB CCCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1 6324243 VRSJYFBTHYEVGF-JLHYYAGUSA-N 291.372 3.532 0 40 CHAB CCc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)s1 409057996 QZBXJXHHYRFQKV-XFFZJAGNSA-N 281.402 3.755 0 40 CHAB O=C1C[C@@H](c2ccco2)Cc2c1cnn2-c1ccc(F)cc1 6759298 WPPQKTGIMNNJEY-NSHDSACASA-N 296.301 3.517 0 40 CHAB Cc1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)cn1 69869377 DDZCJINQERZEAN-UHFFFAOYSA-N 298.386 3.839 0 40 CHAB CON(C)c1ncnc2sc(-c3ccccc3)c(C)c12 9153882 LMBHTYHNYSWHBN-UHFFFAOYSA-N 285.372 3.664 0 40 CHAB CN(Cc1cccnc1)Cc1cccc(-c2cccnc2)c1 97058631 KUYYKWTXRXZTFS-UHFFFAOYSA-N 289.382 3.776 0 40 CHAB CC(C)CCNCc1cc(Br)ccc1F 19911814 GNGOKJFTYRSJTI-UHFFFAOYSA-N 274.177 3.724 0 40 CHAB CC(C)(C)c1nnc(NCCc2ccc(F)cc2)s1 84325428 HEGCYZUWRVCWLH-UHFFFAOYSA-N 279.384 3.629 0 40 CHAB Cc1ccc(CCC(=O)Nc2nnc(C(C)C)s2)cc1 21974747 FUVKIDNKYZZNNB-UHFFFAOYSA-N 289.404 3.541 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)C=C2C(=O)Oc1ccccc1 3846344 FIFOOLNKMDNDOS-PBHICJAKSA-N 256.345 3.975 0 40 CHAB biogenic Nc1ncc(Br)cc1Sc1ccccc1 35287518 PBXBIPILRFHEOY-UHFFFAOYSA-N 281.178 3.578 0 40 CHAB CC(C)c1nc(CC(=O)Nc2cccc(F)c2)cs1 31663593 ITEWGMGOMBNUPK-UHFFFAOYSA-N 278.352 3.587 0 40 CHAB COc1ccc(C(=O)c2cc(Cl)ccc2F)cc1OC 37359941 CFZCHVSNFGJFHA-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB FC(F)(F)c1ccccc1[C@H]1CC(Br)=NO1 30678681 DDFCJTGGZWNOMD-MRVPVSSYSA-N 294.070 3.875 0 40 CHAB O=C(c1ccc(F)cc1)c1cncc2ccccc12 45028880 XMNXFAVTZGSGOX-UHFFFAOYSA-N 251.260 3.605 0 40 CHAB Cc1nc2ncnc(N[C@@H](C)CCCC(C)C)c2nc1C 222286176 IINOGKQBFRPVID-NSHDSACASA-N 287.411 3.663 0 40 CHAB Cc1ccc(Nc2ccc(N)cc2C(=O)NC(C)C)cc1C 225465491 WSLGMXDBLPABTL-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB Cc1cc(O)cc2c1[C@H]1CC[C@@]3(C)[C@@H](O)CC[C@@H]3[C@@H]1CC2 85626596 YFECXKBRYLRUTI-OYNZLANYSA-N 286.415 3.918 0 40 CHAB CC(C)SCCSc1nnc(C(F)(F)F)s1 225749921 NOJHMHZJBQQGFF-UHFFFAOYSA-N 288.385 3.791 0 40 CHAB CC(C)[C@@H](C)NC(=O)CCc1cccc2ccccc12 225229605 PFWZOYKLFITGTN-CQSZACIVSA-N 269.388 3.933 0 40 CHAB Cc1ccc(F)c(N/C=C/C(=O)c2ccc3c(c2)OCO3)c1 44842843 UITUFSWSVBYPHF-VOTSOKGWSA-N 299.301 3.671 0 40 CHAB CCCCC[Sn+2]CCCCC 196468891 LPJIYJFUGJVLRQ-UHFFFAOYSA-N 260.997 3.908 0 40 CHAB Nc1cnccc1C(=O)c1ccc(-c2ccc(Cl)cc2)o1 199712667 MLAVNHVLZWFOKW-UHFFFAOYSA-N 298.729 3.808 0 40 CHAB C[C@H](Nc1cccc(C[S@](C)=O)c1)c1ccccc1F 97232198 SRJYGHFTEHGGPW-FKIZINRSSA-N 291.391 3.877 0 40 CHAB Fc1cccc(C(F)(F)F)c1NN1CCCCC1 95081565 HHSZCBXHRWVEMV-UHFFFAOYSA-N 262.250 3.657 0 40 CHAB CO[C@H](C)c1nc(Cl)cc(-c2ccccc2C)n1 96529142 AGDUOXXNPWCESH-SNVBAGLBSA-N 262.740 3.813 0 40 CHAB Cc1ccc(NC(=O)[C@H]2CSc3ccccc32)c(C)c1O 95972499 VAUPHHHNVJETIU-ZDUSSCGKSA-N 299.395 3.837 0 40 CHAB CCOc1ccccc1C(=O)c1cc(Cl)ccc1OC 95916313 RXEUXGGBUMJUFK-UHFFFAOYSA-N 290.746 3.978 0 40 CHAB CC(C)c1cc(N2CCCCC2)nc2c(N)cccc12 685938394 QPDYVOATOYJOBA-UHFFFAOYSA-N 269.392 3.931 0 40 CHAB Cc1ncsc1C(=O)Nc1ccc(OC(C)C)cc1F 52020562 BQQRMORALLZDAL-UHFFFAOYSA-N 294.351 3.630 0 40 CHAB C[C@H](CSC(C)(C)C)Nc1cccc(CO)c1 190998116 DJHRKAOURBSVLY-LLVKDONJSA-N 253.411 3.511 0 40 CHAB CCC(C)(C)NC(=S)Nc1ccccc1Cl 13823517 FTQTYIPEXSPGSJ-UHFFFAOYSA-N 256.802 3.815 0 40 CHAB C[C@H](NC(=O)c1csc2c1CCCC2)c1ccccn1 28779920 UEHDEJNZFGPFOT-NSHDSACASA-N 286.400 3.513 0 40 CHAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)C1CC1 190364 LNUGDMFWBCOIGH-UHFFFAOYSA-N 294.379 3.897 0 40 CHAB CN(Cc1ccccc1)C(=O)Nc1cn(C)c2ccccc12 5265537 JKLDNFIJOZWFPX-UHFFFAOYSA-N 293.370 3.842 0 40 CHAB CN(Cc1ccc(Br)cc1)C(=O)CC(C)(C)C 40159467 BQFWMPGTHDRRBY-UHFFFAOYSA-N 298.224 3.844 0 40 CHAB CC[C@]1(C)C[C@](CCN)(c2ccc(C)cc2)CCO1 171678 LSXKXJPDFZUXNV-IAGOWNOFSA-N 261.409 3.561 0 40 CHAB biogenic CO[C@@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1 975230 ODCHOFPHBLTDID-MRXNPFEDSA-N 269.344 3.630 0 40 CHAB CCC1=C(c2ccc(OC)cc2)CC[C@]2(CCNC2=O)[C@H]1C 1871575 HLOROWSFWSHOTM-DJJJIMSYSA-N 299.414 3.795 0 40 CHAB Nc1ccc(C(=Cc2ccccn2)c2ccc(N)cc2)cc1 4522951 IGJFHAXVVIIJNG-UHFFFAOYSA-N 287.366 3.835 0 40 CHAB Cc1cc(=O)cc(-c2ccccc2)n1-c1ccccc1 387780 WVASEDFMUAMWMN-UHFFFAOYSA-N 261.324 3.813 0 40 CHAB CCOc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 9816782 CGOUGNOXKYTCTC-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1C 12447958 CRTLJLUBCQPOPQ-QGZVFWFLSA-N 298.386 3.613 0 40 CHAB Cc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cn1 23455714 RPCVJBLEORWNJY-KRWDZBQOSA-N 280.371 3.540 0 40 CHAB Nc1ccc(Oc2ccccc2)c(Br)c1 43597589 POFTVCQGIZTAMC-UHFFFAOYSA-N 264.122 3.824 0 40 CHAB Cc1ccc(C)c2sc(NCCCn3ccnc3)nc12 34936047 VKIKLHWTEFRJBN-UHFFFAOYSA-N 286.404 3.612 0 40 CHAB Cc1ccccc1CNC(=S)Nc1ccc(F)cc1F 23105711 CMYLZDAMSNNEFS-UHFFFAOYSA-N 292.354 3.760 0 40 CHAB CC(=O)c1ccc(/N=c2\scc(C)n2C(C)C)cc1 12533635 MFVRTVRJXLTWFP-NXVVXOECSA-N 274.389 3.874 0 40 CHAB O=C(NCC1CC1)c1ccc(Oc2ccc(F)cc2)cc1 27467151 YYXOEAOHRMZXSP-UHFFFAOYSA-N 285.318 3.758 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)c1ccc(O)cc1)C2 2146356 WZBMPPVYPMMRNT-RVSPLBMKSA-N 274.360 3.764 0 40 CHAB biogenic O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H]1c1cccnc1 12737357 SDPPUWGQCHNFSA-JEJOPICUSA-N 296.345 3.598 0 40 CHAB Fc1ccc(NCc2nc(-c3cccs3)no2)cc1 48345477 IFUQPNKZHFXXSR-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB Cc1cc(-c2csc(-c3cnccn3)n2)c(C)s1 48640704 DRHJNKYBNHQWEB-UHFFFAOYSA-N 273.386 3.945 0 40 CHAB O=C(OCc1ccc(-c2ccccc2)cc1)c1cnccn1 7977383 QPFHZCMSDBHIDQ-UHFFFAOYSA-N 290.322 3.501 0 40 CHAB CCc1noc(CN(Cc2cccc(Cl)c2)C(C)C)n1 59038131 OVBRHWNDLSTKMW-UHFFFAOYSA-N 293.798 3.696 0 40 CHAB Cc1ccc(NC(=O)CNC2CCCCC2)cc1Cl 13154318 GBWTYBWEKQQWOB-UHFFFAOYSA-N 280.799 3.509 0 40 CHAB CCc1cccc(NC(=O)/C=C/c2ccc(OC)cc2)c1 5477400 MGGOPOIKPSBSFQ-FMIVXFBMSA-N 281.355 3.910 0 40 CHAB Cc1nc2cc(NC(=O)CC3CCCCC3)ccc2[nH]1 82283397 OLJABRWDGHHUQV-UHFFFAOYSA-N 271.364 3.780 0 40 CHAB c1ccn2cc(CSc3ncnc4ccsc34)nc2c1 9219514 JLDGAHPPBVMOTJ-UHFFFAOYSA-N 298.396 3.631 0 40 CHAB C[C@@H](N[C@H](C)c1nc2ccccc2o1)c1ccncc1 97084002 OSYBLPZJSQETPO-VXGBXAGGSA-N 267.332 3.635 0 40 CHAB COc1c(Br)cc(Cl)c2cccnc12 95933514 LESGPPSIBAXUNN-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB CC[C@H](N)c1cnc(Sc2ccccc2)cc1C 72223188 PIJLTQXFNZPZDW-AWEZNQCLSA-N 258.390 3.951 0 40 CHAB CC(C)(C)c1ccc(N2CCN[C@H]3CCCC[C@H]32)cc1 218837577 FAEJKDIDUFPESY-DLBZAZTESA-N 272.436 3.705 0 40 CHAB O=C(O)c1cc(C(F)(F)F)c(Cl)cc1Cl 35994439 DZQRUJJBROSYSV-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB C[C@@H]1CN(C(=O)Nc2ccccc2C(C)(C)C)C[C@@H](C)O1 40526144 KLEUMUXOVZYXAB-CHWSQXEVSA-N 290.407 3.625 0 40 CHAB COc1ccccc1[C@H]1C[C@H]1C(=O)N1CCCCCCC1 89473563 NXVTVCNJNZLOSF-HZPDHXFCSA-N 287.403 3.591 0 40 CHAB Fc1ccccc1CNC(=S)Nc1c(F)cccc1F 225835652 GYCQCJDIUDCYFF-UHFFFAOYSA-N 296.317 3.591 0 40 CHAB COc1ccc(-c2ccc(CCC(=O)O)o2)cc1Cl 48545744 GEULUPZNRUPDPB-UHFFFAOYSA-N 280.707 3.626 0 40 CHAB CC1(C)CC(=O)[C@@H]2C(c3ccc(C(C)(C)C)cc3)=NN[C@H]2C1 228932708 BGCOUAMXBGPCCU-GOEBONIOSA-N 298.430 3.665 0 40 CHAB COC(=O)CCCCC(=O)c1cc(F)c(Cl)c(F)c1 575357881 ZKHOEVNLPSOFOP-UHFFFAOYSA-N 290.693 3.534 0 40 CHAB COc1cc(NCc2cccnc2C)c(OC)cc1Cl 95977580 CTKWCVRSRDQUSY-UHFFFAOYSA-N 292.766 3.673 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(F)cc1 96761791 YMQSRZLEKQVKRH-UHFFFAOYSA-N 271.335 3.577 0 40 CHAB FC(F)(F)c1ccnc(SCc2ccccc2)n1 160138 OBIPCIHWFZOVSQ-UHFFFAOYSA-N 270.279 3.788 0 40 CHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(C)C 774898 MPMCEOGASOEVHZ-UHFFFAOYSA-N 292.766 3.689 0 40 CHAB c1cncc(-c2nc(NC3CC3)ncc2-c2ccsc2)c1 12251625 WVWZWKJGLARGOU-UHFFFAOYSA-N 294.383 3.841 0 40 CHAB Cc1ccc(C(=O)NCCCN(C)c2ccccc2)c(C)c1 17826857 CNKFGSNGBSHWLC-UHFFFAOYSA-N 296.414 3.560 0 40 CHAB Cc1cc2cccc(NC(=O)C[C@H](C)n3ccnc3)c2o1 19126662 HRMHKNNNNKBPBR-NSHDSACASA-N 283.331 3.528 0 40 CHAB CCOC(=O)c1cc(/C=C/c2ccc(Cl)cc2)on1 1588859 IRILQNBBXIRKNC-VMPITWQZSA-N 277.707 3.675 0 40 CHAB c1ccc(CN2CCC(c3ccsc3)CC2)nc1 186946226 XTUFRFWRAXBMLB-UHFFFAOYSA-N 258.390 3.523 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3c(s2)CCCC3)C1 3172766 BUELXSQUPNGNNR-VXGBXAGGSA-N 277.433 3.745 0 40 CHAB Cc1cccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)c1 1888853778 OWNJMROEOIVVMX-IRXDYDNUSA-N 267.372 3.852 0 40 CHAB Cc1cccc2nc(NC(=O)c3ccccc3F)sc12 136024 BJCGBZJZJCBPAE-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB CCC[C@@H](C)NC(=O)Nc1cccc(SC)c1 40023782 USAJVVZQTPVBOB-SNVBAGLBSA-N 252.383 3.719 0 40 CHAB CCOC(=O)c1sc2sc(C(C)=O)c(C)c2c1C 125615 VCCRNZJWNILVMV-UHFFFAOYSA-N 282.386 3.959 0 40 CHAB Cc1ccc2c(c1)[C@@H]([C@H]1Cc3cccc(C)c3C1=O)OC2=O 1646141 OSURRXSQPWVEJI-YJBOKZPZSA-N 292.334 3.570 0 40 CHAB CCCCOCCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 1719047 MGZDAYPGXNRHMP-UONOGXRCSA-N 268.397 3.585 0 40 CHAB CCCCC[C@H](Oc1ccc(Cl)cc1)C(=O)O 2041969 BGXDMDDPHYFROP-LBPRGKRZSA-N 256.729 3.752 0 40 CHAB CC1(C)Cc2cc(C(=O)O)sc2-c2ccccc21 20525723 PTOBLWZWMMBLGH-UHFFFAOYSA-N 258.342 3.947 0 40 CHAB in-vitro CN(C)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 265864 GHRPTCLEKHFSOU-UHFFFAOYSA-N 292.741 3.797 0 40 CHAB CSc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 6416089 OYQPHKHWGCWOPM-UHFFFAOYSA-N 293.413 3.518 0 40 CHAB COc1ccccc1/C=C/C(=O)Nc1ccc(F)c(F)c1 7969160 LJAJJIYJVQIGPF-RMKNXTFCSA-N 289.281 3.625 0 40 CHAB C[C@H]1[C@@H](CNC[C@H]2[C@@H]3CC[C@H](C3)[C@H]2C)[C@H]2CC[C@@H]1C2 100688885 BYNFXCWZFITGRK-KTUOECQISA-N 261.453 3.940 0 40 CHAB Cc1ccc(CCC(=O)NCc2cccc(C)c2)cc1 10448246 OBHKZXZISMQXRA-UHFFFAOYSA-N 267.372 3.552 0 40 CHAB Oc1ccc(CNc2ccccc2)cc1Br 57997988 UFLISTZPNMWWNV-UHFFFAOYSA-N 278.149 3.767 0 40 CHAB CN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCc2ccccc21 29822414 NZCUZGPLNIPWLP-HNNXBMFYSA-N 297.423 3.996 0 40 CHAB CC(C)(C)c1csc(NC(=O)c2ccc(F)c(F)c2)n1 23294658 CCIYSNIVQZSEPI-UHFFFAOYSA-N 296.342 3.971 0 40 CHAB CCCc1cc2c(s1)N[C@@H](c1ccc(C)cc1)NC2=O 2738012 JBBIVNKSOKHUGR-AWEZNQCLSA-N 286.400 3.863 0 40 CHAB OCc1ccc(-c2ccc(Cl)cc2Br)o1 20160482 HXFXFQCDZASGSY-UHFFFAOYSA-N 287.540 3.855 0 40 CHAB Nc1onc(-c2ccc(F)cc2)c1-c1ccc(F)cc1 37350390 CKUXCLFZYRVKNZ-UHFFFAOYSA-N 272.254 3.869 0 40 CHAB in-vitro O=C(Nc1ccccn1)N[C@@H](c1ccccc1)C1CCC1 104767641 WWSMQXIAWPHDLH-INIZCTEOSA-N 281.359 3.745 0 40 CHAB CC[C@H](NC(=O)NC1CCCCC1)c1ccc(OC)cc1 60625620 CLTTTXPHCUXXQF-INIZCTEOSA-N 290.407 3.778 0 40 CHAB C[C@H](c1ccco1)N(C(=O)N[C@@H]1CC=CCC1)C1CC1 86401437 UNAOIQJTNVIHMU-CHWSQXEVSA-N 274.364 3.623 0 40 CHAB CC1(C)C=CN(c2ccccc2C(F)(F)F)C(=S)N1 56710472 OCTLZGMVPVEHRJ-UHFFFAOYSA-N 286.322 3.692 0 40 CHAB O=[S@](Cc1ccccc1)Cc1ccc(F)cc1Cl 58132268 QGPDUVLTYPVLEP-SFHVURJKSA-N 282.767 3.928 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)C1CCCC1 22520739 JTLYTGGZWXDVJJ-INIZCTEOSA-N 275.392 3.553 0 40 CHAB C[C@@H](C1CCCCC1)[C@](C)(CCC(=O)O)CC(=O)O 2204674 HAYNPIYDTMTGOL-XHDPSFHLSA-N 270.369 3.549 0 40 CHAB CC(C)Oc1ccc(C(=O)Nc2ccnn2C(C)C)cc1 13003630 RBQJRZNZLHAHAI-UHFFFAOYSA-N 287.363 3.504 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@@H](C)C1 13113475 PREZGGBBSHVXGJ-OCCSQVGLSA-N 284.403 3.779 0 40 CHAB CC[C@@](C)(CC(=O)O)Cc1nc2ccccc2s1 4206697 GIBIKRFPDXOAHN-CQSZACIVSA-N 263.362 3.730 0 40 CHAB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=O)NC1=S 5347108 JFUDFJGRCDKBKB-HLPMDPMVSA-N 289.381 3.519 0 40 CHAB O=c1oc2ccccc2cc1-c1nc2cc(Cl)ccc2[nH]1 5615350 SJDMZAIFZDPOMB-UHFFFAOYSA-N 296.713 3.990 0 40 CHAB CCCCC(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 5756050 CGFJKSDCZACSME-LBPRGKRZSA-N 287.359 3.781 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@H]1CCCC[C@@H]1C 6964424 OCEPDGUSODCJRQ-BBRMVZONSA-N 284.403 3.645 0 40 CHAB C[C@@H](O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8156632 UIRDSUDKDASSAX-GFCCVEGCSA-N 282.318 3.732 0 40 CHAB CCc1cc(N)cc2nc(-c3ccc(C)cc3)oc12 62536564 HDMDVUMFAJTSKZ-UHFFFAOYSA-N 252.317 3.948 0 40 CHAB COc1cc(CN[C@H]2C[C@H](c3ccccc3)C2(C)C)ccn1 96009149 DTYNBAGDRHLBMN-SJORKVTESA-N 296.414 3.762 0 40 CHAB COCCc1ccc(Oc2ncnc3sccc23)cc1 9378006 XOXLIJVXIXPHAH-UHFFFAOYSA-N 286.356 3.673 0 40 CHAB CCN(C(C)=O)[C@H](c1ccccc1)c1ccc(F)cc1 71883012 NIPUUYINUDAJHI-QGZVFWFLSA-N 271.335 3.784 0 40 CHAB CC[C@H](C)NC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 68755607 BFSQAYZLLKQFKF-QWHCGFSZSA-N 285.387 3.867 0 40 CHAB Cc1n[nH]cc1CN[C@@H](Cc1ccccc1)c1ccccc1 97159086 QDZPGDADJZAIOO-IBGZPJMESA-N 291.398 3.792 0 40 CHAB C[C@H](Sc1ccccn1)C(=O)N1c2ccccc2C[C@H]1C 9967668 SXQRTSLCBSUKAJ-OLZOCXBDSA-N 298.411 3.540 0 40 CHAB CCNC(=O)Nc1ccc(Oc2ccc(OC)cc2)cc1 408565976 CRUFTELFDZDALH-UHFFFAOYSA-N 286.331 3.629 0 40 CHAB COC(=O)c1cccc(-c2cc(C(F)(F)F)cc(C)n2)c1 71792115 KUDVTBZTDRYYLP-UHFFFAOYSA-N 295.260 3.862 0 40 CHAB CCCN1CCC[C@H]1c1cccnc1N[C@@H](C)CC 72213396 NORPIJXUDNAOFT-ZFWWWQNUSA-N 261.413 3.839 0 40 CHAB COC(=O)c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 33495418 GOHXNSLMAJYZIA-UHFFFAOYSA-N 286.718 3.670 0 40 CHAB CCOC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 76046474 ISDAPOXBTSOCAY-UHFFFAOYSA-N 284.290 3.546 0 40 CHAB CCc1ccc(CNC(=O)c2ccc(CC)cc2)cc1 72331619 LQGCCJZRLKZTHL-UHFFFAOYSA-N 267.372 3.741 0 40 CHAB O=C(CC(c1ccccc1)c1ccccc1)N1CC(CF)C1 412533819 YJLQTDXJWJGOGF-UHFFFAOYSA-N 297.373 3.637 0 40 CHAB Cc1ccccc1O[C@@H](Cc1c(C)cccc1C)C(=O)O 225030348 YBAJSWNDVKMVKR-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB O=C(c1ccsc1)c1cccc(C(F)(F)F)c1 43210306 DBZVFNAEKCVGRV-UHFFFAOYSA-N 256.248 3.998 0 40 CHAB C[C@H](CNc1cccc(C[S@@](C)=O)c1)c1ccccc1 194158390 XTUXQCOKLLBHJP-JLTOFOAXSA-N 287.428 3.781 0 40 CHAB CN(C(=O)c1cccs1)c1cccc2ncccc12 89844558 NPVZOUYLVSQARD-UHFFFAOYSA-N 268.341 3.573 0 40 CHAB CCNCc1c(C)n(C)c2ccc(O[C@H](C)CC)cc12 223764475 NNJJGBLGCJGXSI-GFCCVEGCSA-N 274.408 3.774 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCC1CCCCC1 224132902 GTIXXJFAIRRJTQ-LBPRGKRZSA-N 295.810 3.804 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1=CCCCC1 224415623 LAJFSVFCTMDFKP-LBPRGKRZSA-N 293.794 3.724 0 40 CHAB CC(C)(C)c1coc([C@@H]2COCCN2C2CCCCC2)n1 96296221 YVMVZMBRGSNFKG-AWEZNQCLSA-N 292.423 3.678 0 40 CHAB biogenic,in-vitro O=C(c1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O 95634012 NGZAWGNNBLYXQB-VHSXEESVSA-N 284.714 3.553 0 40 CHAB COc1cc(C)c(C(=O)NC2CCCC2)cc1C(C)C 75911111 NUASLRFLTSHNTK-UHFFFAOYSA-N 275.392 3.799 0 40 CHAB Cc1cccc(Cn2cccc2CNCC(C)C)c1 91001923 ISKUJSHUHZSTQD-UHFFFAOYSA-N 256.393 3.590 0 40 CHAB COc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 382808 RQGHLASMYPXWEW-UHFFFAOYSA-N 284.384 3.950 0 40 CHAB O=C(O)c1c(C(F)(F)F)nc2cccc(F)c2c1Cl 35838326 ZUFJJPYMZCIIOO-UHFFFAOYSA-N 293.603 3.744 0 40 CHAB CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 5008289 NRCYQWNSXCXBPN-UHFFFAOYSA-N 266.753 3.812 0 40 CHAB CC(C)Nc1ncnc2c1oc1ccc(Cl)cc12 5156956 PAFIAMIIOTYYAW-UHFFFAOYSA-N 261.712 3.850 0 40 CHAB CCN(CC)CCC[C@H](C)N[C@@H](C)CCCN(CC)CC 5368444 NYHWSIBMLLCFQE-ROUUACIJSA-N 299.547 3.597 0 40 CHAB COc1cc(-c2nc3cc(C)ccc3o2)ccc1O 8906191 AZJHTQHXESDKNJ-UHFFFAOYSA-N 255.273 3.517 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccc(O)cc1)C2 100751345 WZBMPPVYPMMRNT-QEORTHHSSA-N 274.360 3.764 0 40 CHAB biogenic COc1ccc(C(=O)CNc2ccc(Cl)cc2)cc1 3273036 ZORUUSNHSPJSKB-UHFFFAOYSA-N 275.735 3.643 0 40 CHAB Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCCC[C@H]2C)s1 21875496 KGWNITOXVOHCDR-DGCLKSJQSA-N 293.432 3.714 0 40 CHAB Cc1ccc(-c2cc(CNC(=O)c3cccs3)no2)cc1 12235621 VSSSCHHEJFSOHV-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB COC(=O)c1cc(Cl)ccc1C(=O)Cc1cccs1 575361791 LXIGRTATMVEMHX-UHFFFAOYSA-N 294.759 3.614 0 40 CHAB Cc1ccc(NC(=O)N2CCC(C)CC2)c(Cl)c1 40096901 OSPNASNVCQXVRY-UHFFFAOYSA-N 266.772 3.912 0 40 CHAB C[C@@H](CCc1ccc2c(c1)OCO2)NC(C1CC1)C1CC1 20131045 YFKFAAMDCHJBOZ-LBPRGKRZSA-N 287.403 3.515 0 40 CHAB Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)c(C)c1 75606 CAHUBYPHVRMXRD-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB C[C@@H](CC(=O)O)CC(=O)c1ccc(C(C)(C)C)cc1 15441773 NPXVVJVOXBGDSA-LLVKDONJSA-N 262.349 3.668 0 40 CHAB Sc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 36724592 ISMURADJEZDSPO-UHFFFAOYSA-N 291.763 3.529 0 40 CHAB C[C@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 45734931 BFZGBODCZCPXLE-LBPRGKRZSA-N 274.339 3.713 0 40 CHAB CC1(C)[C@@]2(C)CC[C@@]1(C)c1nc3ccccc3nc12 100770314 ZBVXZRXFIISPRV-IRXDYDNUSA-N 252.361 3.979 0 40 CHAB COC[C@H](C)Nc1ncnc2scc(-c3ccccc3)c12 3327553 KZGUJVZGBPKAKB-NSHDSACASA-N 299.399 3.805 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1 258761 ASVPUMNRQNWONV-FMIVXFBMSA-N 267.328 3.656 0 40 CHAB biogenic Cc1cc(F)ccc1NC(=O)c1cc2c(s1)CCC2 7748914 GKNMBVZCLLQQEH-UHFFFAOYSA-N 275.348 3.937 0 40 CHAB CC(C)c1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1 20745639 JRANEBBXVBWWGM-AWEZNQCLSA-N 287.388 3.957 0 40 CHAB CCc1ccc(CNc2cccc(-c3n[nH]c(C)n3)c2)o1 51724475 IKSJZQOEBCVXAA-UHFFFAOYSA-N 282.347 3.548 0 40 CHAB CSc1ccccc1NC(=O)c1cc(-c2ccco2)[nH]n1 29803310 FJTIQBFCBNGENQ-UHFFFAOYSA-N 299.355 3.644 0 40 CHAB CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCC[C@H](C)[C@@H]1C 57095786 FVGXVARSBZSODC-WRFANHODSA-N 292.467 3.706 0 40 CHAB COc1ccc(C)cc1CS[C@@H](C)C(=O)NC(C)(C)C 52805040 BZFKHEPKACDFPU-LBPRGKRZSA-N 295.448 3.540 0 40 CHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnsn1 12289017 MJZUGUPBJNZJNX-UHFFFAOYSA-N 297.339 3.583 0 40 CHAB CSc1ncccc1C(=O)Nc1ccccc1Cl 515986 ZBQSRHAHNNKWGB-UHFFFAOYSA-N 278.764 3.709 0 40 CHAB CC1=C(C)[C@]2(C)[C@]1(C)[C@@]1(C)NN=N[C@@]12c1ccccc1 104152235 LMSJRJZSTYWIJR-QBPKDAKJSA-N 267.376 3.987 0 40 CHAB Cc1ccnc(NC(=O)c2c(Cl)c3ccccc3n2C)c1 41687368 GHXOXZTXCHOHPD-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB CCc1ccc(-c2nc3c(n2O)C(=O)CC(C)(C)C3)cc1 55175253 QOMKIXZXYCHYAO-UHFFFAOYSA-N 284.359 3.505 0 40 CHAB CC(C)CCNc1nc(-c2ccc(O)cc2O)cs1 22459597 WHSHQSRPHFAOKD-UHFFFAOYSA-N 278.377 3.679 0 40 CHAB CCc1nc(C)c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 106577999 UQMZLCINWXDQQI-XYJRDEOASA-N 292.448 3.568 0 40 CHAB Clc1ccc(C2CCC3(CC2)OCCO3)cc1 21984912 YUHLEBUZROOCJG-UHFFFAOYSA-N 252.741 3.741 0 40 CHAB in-vitro CC(C)N(C(=O)CSc1ccccn1)c1ccccc1 12615622 MZONHIBTDPGQEE-UHFFFAOYSA-N 286.400 3.615 0 40 CHAB CNCCCN1c2ccccc2Sc2ccccc21 2018134 WOCOVPRTRIBGFZ-UHFFFAOYSA-N 270.401 3.899 0 40 CHAB endogenous,world CCc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 3324422 ZNHPUCRSOIGSMH-UHFFFAOYSA-N 281.355 3.851 0 40 CHAB CC(=O)Nc1ccc(Cl)cc1NCc1c(C)noc1C 58245715 CDQVBINWCCMABB-UHFFFAOYSA-N 293.754 3.515 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1ccc(-c2cnco2)cc1 58378046 PLADNZGIJBTHAD-HNNXBMFYSA-N 284.359 3.746 0 40 CHAB CCOC(=O)CCC(=O)c1cc(Cl)cc(Cl)c1 2378897 PPFHMOCSOPAUBM-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB Cc1cc(COC(=O)c2cc3c(s2)CC[C@@H](C)C3)no1 7836443 YNKMUTHQYIMDIO-SECBINFHSA-N 291.372 3.526 0 40 CHAB CSc1cccc(NC(=O)c2ccc(C(C)=O)s2)c1 7945208 OLRFZBXVGYFESE-UHFFFAOYSA-N 291.397 3.925 0 40 CHAB CNc1snc(C)c1C(=O)O[C@@H](C)c1ccc(F)cc1 16552709 ZAVVGSFYMBVDOO-VIFPVBQESA-N 294.351 3.550 0 40 CHAB Cc1cc2[nH]c(-c3ccc(N)cc3)nc2cc1Cl 62152877 WGRLJJYIHLZAPH-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB CC(C)CSc1nnc(-c2ccccc2Cl)n1C 7062096 HHFAYERZTGCOGR-UHFFFAOYSA-N 281.812 3.884 0 40 CHAB Cc1occc1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 19312080 XFNGNTZBPJICKV-OAHLLOKOSA-N 275.323 3.854 0 40 CHAB CSc1ccccc1NC(=O)c1cccnc1SC 10225201 BGRPGQMPFGVVQL-UHFFFAOYSA-N 290.413 3.778 0 40 CHAB CCN(Cc1ccccc1N[C@@H](C)c1ccncc1)C(C)=O 97037013 CBBLKIPJPPKZDF-AWEZNQCLSA-N 297.402 3.623 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(F)cc1 19957863 PGRKEHDQDLLYOH-QGZVFWFLSA-N 280.346 3.851 0 40 CHAB Cc1nc(Cl)cc(N[C@H]2C[C@@]2(C)c2ccccc2)n1 72302123 ZNVLACNGVCRGMH-WFASDCNBSA-N 273.767 3.581 0 40 CHAB Clc1cc2c(c(CSc3ccncc3)c1)OCOC2 95430763 YZIHEGQAZKNJCF-UHFFFAOYSA-N 293.775 3.894 0 40 CHAB Cc1ncsc1CNc1ccccc1OCC(F)F 89565589 CRPYUXGWCXLTJQ-UHFFFAOYSA-N 284.331 3.708 0 40 CHAB O=C(c1ccc(SC(F)(F)F)cc1)C(F)F 309376061 VEIFLOBGRJKUOL-UHFFFAOYSA-N 256.195 3.746 0 40 CHAB Cc1ccc(NC(=O)n2nc(C)cc2C(F)(F)F)cc1 27925772 QBGJBYWFKNACQO-UHFFFAOYSA-N 283.253 3.599 0 40 CHAB CC1(C)[C@H]2CC[C@]3(C)OC(=O)N(N1c1ccccc1)[C@]23C 4087714 NSUOGCYPVWQKRF-XOKHGSTOSA-N 286.375 3.580 0 40 CHAB CC1(C)c2ccccc2CN2C(=O)O[C@@]3(C)CC[C@H]1[C@@]23C 4167658 NNHHRFVHHXMVBU-FHLIZLRMSA-N 285.387 3.857 0 40 CHAB COc1ccc(C(=O)c2ccc(F)cc2Cl)cc1OC 37359997 XWOOZQVQAZAAOJ-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB O=C(Nc1ccccc1F)c1cc(-c2ccccc2)no1 33146327 YBLOKQIEWIYXIR-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB CC(C)(C)C(=O)Nc1ccc2[nH]c(-c3cccnc3)nc2c1 71280320 SPFJNCSVCHDCHS-UHFFFAOYSA-N 294.358 3.610 0 40 CHAB CC[C@@H](O)c1ccc(Sc2ccccc2)nc1C 72224226 XEDCJOWDUCGRDQ-CQSZACIVSA-N 259.374 3.985 0 40 CHAB CN(c1ccccc1)c1ccc([C@@H](O)c2ccccc2)cn1 72225327 WCCCTTCWQDKMOS-IBGZPJMESA-N 290.366 3.931 0 40 CHAB Cc1ccnc([C@@H]2CCCN2Cc2ccccc2)c1 72211175 SUJYLZIDRCMMTN-KRWDZBQOSA-N 252.361 3.727 0 40 CHAB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC=CCC1 40160279 FQHXZAYEYPMVGN-GFCCVEGCSA-N 283.293 3.678 0 40 CHAB CC[C@H](NC(=O)Cc1ccccc1)c1ccc(OC)c(C)c1 225749577 BMJWRWSILOGXBL-KRWDZBQOSA-N 297.398 3.814 0 40 CHAB CCOC(=O)c1cn(C(=O)OC(C)(C)C)c2ccccc12 89203423 JZTVIBPTOJFNDD-UHFFFAOYSA-N 289.331 3.601 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CCC(F)(F)F 173025184 XHBQJXYZSUBEQE-UHFFFAOYSA-N 265.662 3.929 0 40 CHAB CNc1ccc2nc(-c3cccc(OC)c3)oc2c1 226271989 LUXVTQXGLVENPH-UHFFFAOYSA-N 254.289 3.545 0 40 CHAB C[C@H]1CC(=O)c2cnn(-c3cc(Cl)cc(Cl)c3)c2C1 199729407 RJHXBFDNSRFQLO-MRVPVSSYSA-N 295.169 3.944 0 40 CHAB CCCOC(C)(C)C(=O)Nc1ccc(OCC)c(Cl)c1 225728729 BJDUEJZXSZNJCB-UHFFFAOYSA-N 299.798 3.882 0 40 CHAB Clc1ccc(Cl)c(OCCC2CCNCC2)c1 42772340 ZADPPNSOPOGSOA-UHFFFAOYSA-N 274.191 3.762 0 40 CHAB O[C@H](c1cc2cc(Br)ccc2o1)C(F)(F)F 91356097 VPYITWMQQSIJGF-SECBINFHSA-N 295.054 3.791 0 40 CHAB CCCCOc1ccc(F)cc1C(=O)C(F)(F)F 95732705 RTIWOQSOPGRDCT-UHFFFAOYSA-N 264.218 3.750 0 40 CHAB CCCN(c1cc(Cl)ccc1C)[C@H](CC)C(=O)O 260679459 NSXPTXXKQIDWPM-GFCCVEGCSA-N 269.772 3.728 0 40 CHAB C[C@@H](Cc1ccoc1)NC(=O)c1ccccc1C(F)(F)F 84827279 HJFXGFXJONQWEO-JTQLQIEISA-N 297.276 3.659 0 40 CHAB Cc1cc(Cl)ccc1C(=O)COc1ccccc1 95916491 SSPKNCKLEOLPSL-UHFFFAOYSA-N 260.720 3.910 0 40 CHAB COC(=O)CCCC(=O)c1ccc(F)c2ccccc12 575357442 KVDBLCAFVUKNKB-UHFFFAOYSA-N 274.291 3.505 0 40 CHAB C[C@@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C[C@@H]1C 500251386 QGTGRTWUEZOXHB-OLZOCXBDSA-N 294.826 3.570 0 40 CHAB O=C(OCCC(F)(F)F)c1cc(Cl)ccc1F 95947831 UKHQHSFSMSDPNO-UHFFFAOYSA-N 270.609 3.588 0 40 CHAB COc1cccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 5550817 ISIPGHUQILMXQM-NSHDSACASA-N 289.762 3.840 0 40 CHAB CC[C@@]1(O)C[C@H]2c3ccccc3CCN2C[C@@H]1CC(C)C 5063196 RYNPJUSOZNBQIE-YTQUADARSA-N 287.447 3.793 0 40 CHAB Fc1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1 13787513 MXPZPGNAAJPVPO-UHFFFAOYSA-N 282.290 3.913 0 40 CHAB Fc1ccccc1CNC(=S)Nc1ccccc1Cl 13937065 QTQOIEDCSTYKKA-UHFFFAOYSA-N 294.782 3.966 0 40 CHAB CCCN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O 6323902 WFHWFEPANGOKMC-OWQKPFLESA-N 273.357 3.689 0 40 CHAB CCOC(=O)Cc1csc(Nc2ccc(C)c(C)c2)n1 6870086 ISQYKMFEMMTUSO-UHFFFAOYSA-N 290.388 3.609 0 40 CHAB Cc1ccc(Oc2ccc(NC(=O)CCC(=O)O)cc2)cc1 482174 YEHNUQATGXGTTL-UHFFFAOYSA-N 299.326 3.591 0 40 CHAB COc1cc(C(F)(F)F)nc2cc(F)c(C)cc12 2243348 TZARGGASUFGHBL-UHFFFAOYSA-N 259.202 3.710 0 40 CHAB CC(C)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 31938483 JTNBVNQXAVLMMC-GOSISDBHSA-N 269.388 3.631 0 40 CHAB COCCN(CC(C)C)C(=O)Nc1cccc(Cl)c1C 40096496 HFYGVVRDZSKQIG-UHFFFAOYSA-N 298.814 3.785 0 40 CHAB N[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCCC1 20260079 LWMFIMXQOJYJRC-ROUUACIJSA-N 266.388 3.524 0 40 CHAB Cc1ccc2oc(C(=O)Nc3ccc(F)cc3)cc2n1 8793843 GQZGSNZUPKMKGZ-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB CN(C)CCN1c2ccccc2Sc2ccccc21 1432 PFAXACNYGZVKMX-UHFFFAOYSA-N 270.401 3.851 0 40 CHAB in-man CCOCCCNCc1c(Cl)cccc1Cl 2923715 WGJIHSTVZZDWQY-UHFFFAOYSA-N 262.180 3.510 0 40 CHAB O=C(OCc1cccc2ccccc12)c1ccccc1O 3512543 ORSGTVGMSDYZAV-UHFFFAOYSA-N 278.307 3.902 0 40 CHAB CCC(CC)NC(=S)Nc1cc(C)cc(C)c1 7529461 GUKQWYBVLGSXJT-UHFFFAOYSA-N 250.411 3.778 0 40 CHAB CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC 32202817 MQYNKBGLFNKJPL-ZDUSSCGKSA-N 292.375 3.846 0 40 CHAB O=c1[nH]c2ccc(NCc3cccc4ccccc34)cc2[nH]1 20879718 VLMHLFHRQVSJTD-UHFFFAOYSA-N 289.338 3.622 0 40 CHAB Cc1ccc([C@@H]2CCCN2C(=O)C2CCCC2)cc1 32754090 PBRWDUHNJVCAMJ-INIZCTEOSA-N 257.377 3.849 0 40 CHAB COc1ccc(C(=O)O)cc1OCc1ccccc1Cl 11961157 VWQCEMWDHIIFDN-UHFFFAOYSA-N 292.718 3.626 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)o1 9390072 OFFQTZHMQVMHKY-UHFFFAOYSA-N 286.114 3.847 0 40 CHAB Clc1ccc(CNCCc2cccnc2)c2ncccc12 89793967 DTHKRTLCEIKEDM-UHFFFAOYSA-N 297.789 3.616 0 40 CHAB COc1ccc(-n2nc(Cl)nc2-c2ccccc2C)cc1 22125924 HMFIQCYGCOPYHQ-UHFFFAOYSA-N 299.761 3.905 0 40 CHAB CCN(CC)c1nc(C)nc2sc3c(c12)CC[C@@H](C)C3 3399356 XCDHSWYBKQKJSU-SNVBAGLBSA-N 289.448 3.971 0 40 CHAB CCCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 10577742 VFHIOXQFZAWYPS-UHFFFAOYSA-N 289.404 3.635 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Cc2csc(C(C)C)n2)o1 36397918 FSIXXWDHIJLOPN-NSHDSACASA-N 292.404 3.588 0 40 CHAB O=C(Nc1nc2ccccc2[nH]1)c1cc2c(s1)CCCC2 3428099 FLRZCFKECNRFFB-UHFFFAOYSA-N 297.383 3.756 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 3486825 ZDUCJXIMRGYGJK-LLVKDONJSA-N 289.762 3.840 0 40 CHAB O=C(Nc1cccc2c1CCCC2)[C@H]1CC=CCC1 13007404 ASOGISFIDVSBFA-AWEZNQCLSA-N 255.361 3.860 0 40 CHAB COc1ccc([C@H]2C[C@H]2c2ccc(OC)cc2)cc1 17355030 YTFKRSWDEPYBKW-CALCHBBNSA-N 254.329 3.975 0 40 CHAB O=[S@@](CCOc1ccccc1)c1ccc(Cl)cc1 5204507 UAEGIDUXJWDFKH-GOSISDBHSA-N 280.776 3.527 0 40 CHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)C1CCCC1 15199116 MKNDQMPNXZVZIR-CYBMUJFWSA-N 279.380 3.669 0 40 CHAB O=S(=O)(NCCC1=CCCCC1)c1ccccc1Cl 7376282 KKRAGUWMSHYNEP-UHFFFAOYSA-N 299.823 3.509 0 40 CHAB Cc1ccc(NS(=O)(=O)c2cccc(F)c2)c(Cl)c1 7403942 BHSKJNHAKBDRQD-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885948 OPFABBJUUPJJTB-GOSISDBHSA-N 292.382 3.978 0 40 CHAB Cc1[nH]c2c(Br)cccc2c(=O)c1C(C)C 61688192 MFKICZZWDFUIDG-UHFFFAOYSA-N 280.165 3.722 0 40 CHAB O=C(Nc1ccccc1OC(F)F)[C@H]1CC=CCC1 9217727 TXOHEGQHQQGRNY-JTQLQIEISA-N 267.275 3.583 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1F 113948288 QNSANXPHDUNFLY-NSHDSACASA-N 291.297 3.679 0 40 CHAB CCC(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C 72284844 VAUVAVCVDLBXBJ-SECBINFHSA-N 292.379 3.845 0 40 CHAB CSc1ccc([C@H](C)N[C@@H](C)c2cnn(C)c2)cc1F 97017098 LKPGHFLGVDDJQP-QWRGUYRKSA-N 293.411 3.693 0 40 CHAB Cn1cc(CNc2ccc(SC(C)(C)C)cc2)cn1 95429011 VEMYQDJKLRARPX-UHFFFAOYSA-N 275.421 3.923 0 40 CHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccccc2)c1 20035733 PRWPSRBAKIJWOM-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB CN(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 67785566 AJUDNXMZIPXARR-UHFFFAOYSA-N 273.763 3.541 0 40 CHAB C[C@@H](Cc1ccccc1Cl)NC(=O)[C@H]1CC=CCC1 32930652 VUYLMWDALVFCBT-STQMWFEESA-N 277.795 3.744 0 40 CHAB O=C(O)[C@@H]1C=Cc2ccc(cc2)CCc2ccc(cc2)C1 33779902 GKYBFAQZOMLALH-GOSISDBHSA-N 278.351 3.742 0 40 CHAB CC(C)CN1CCCC[C@@H]1c1cccnc1S 72217083 PHCRMJZSMGPPHB-CYBMUJFWSA-N 250.411 3.553 0 40 CHAB Cc1c(F)cccc1-c1ccc([C@@H]2C[C@@H]2C(=O)O)o1 70452810 ZZXVOSIYQXTFMA-MNOVXSKESA-N 260.264 3.582 0 40 CHAB O=Cc1ccc2nc(-c3ccc(F)cc3)sc2c1 73740311 WJSILVUEPZYZQS-UHFFFAOYSA-N 257.289 3.915 0 40 CHAB CC(C)c1ccc(-n2ncc3c2CCCC3=O)cc1 199733581 OCQZALAKZANXBH-UHFFFAOYSA-N 254.333 3.515 0 40 CHAB O=C(CCc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225302780 JAHQWKVZZZYOAN-UMVBOHGHSA-N 277.795 3.577 0 40 CHAB CCOC(=O)c1ccc(NC(=O)C2CCCC2)cc1Cl 224042575 AYVDHBBTEOAJTD-UHFFFAOYSA-N 295.766 3.645 0 40 CHAB O=C(OCC1c2ccccc2-c2ccccc21)N1CC=CC1 148751965 XCVDEVWLRXBBPG-UHFFFAOYSA-N 291.350 3.807 0 40 CHAB Nc1c(Cl)nc2c(Br)cccc2c1Cl 95098232 WIXMMWFTGJAXCO-UHFFFAOYSA-N 291.963 3.886 0 40 CHAB O=C(c1ccc(Oc2ccccc2)o1)N1CCC12CCC2 95407208 FXJNTKZPKIVQGV-UHFFFAOYSA-N 283.327 3.841 0 40 CHAB CCc1cccc(Oc2nc(Cl)ncc2F)c1 91654894 MQRNCMBXRXIFSY-UHFFFAOYSA-N 252.676 3.624 0 40 CHAB Cc1ccc([C@H](O)c2cccc(Br)c2)cc1F 95730223 ISIAWCDUWMWLRK-CQSZACIVSA-N 295.151 3.978 0 40 CHAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccnc(F)c1 41039539 AMPKLIACPHOENE-QWHCGFSZSA-N 278.371 3.555 0 40 CHAB Cc1cc(F)cc(C(=O)c2ccc(F)cc2F)c1 89064268 CRBZLDPVHWIWMB-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Cc1nc(Br)ccc1OCc1ccccc1 725239887 APAPCJCKFATOCO-UHFFFAOYSA-N 278.149 3.732 0 40 CHAB Cc1ccc(N)cc1Oc1ncccc1Br 42376026 RSDWAGIGHNAMOT-UHFFFAOYSA-N 279.137 3.527 0 40 CHAB in-vitro C[C@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C[C@H]1C 500251387 QGTGRTWUEZOXHB-QWHCGFSZSA-N 294.826 3.570 0 40 CHAB CCNC(=O)Nc1ccc(Oc2ccccc2C)cc1 408565881 CBKVAGWCPJYILX-UHFFFAOYSA-N 270.332 3.929 0 40 CHAB CCCCc1nnc(NC(=O)c2cccc(Cl)c2)s1 5607993 ILYJGYVMZIQQML-UHFFFAOYSA-N 295.795 3.786 0 40 CHAB COC(=O)c1ccc(Oc2ccc(Br)cc2)o1 12336528 MOZCNDHHYDXMSE-UHFFFAOYSA-N 297.104 3.621 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2N 12658402 WDTAJXMIXADUTH-LFJLJVMTSA-N 291.479 3.717 0 40 CHAB biogenic Cc1ccc(C(=O)NCCSc2ccccc2)c(C)c1 15136556 MFJYKLAONDQGSI-UHFFFAOYSA-N 285.412 3.826 0 40 CHAB Nc1ccccc1Oc1ccc(Br)cc1 19845732 HHVUQGJERFMQRM-UHFFFAOYSA-N 264.122 3.824 0 40 CHAB Cc1ccc(C)c(-c2nnc(NC(=O)C3CCCCC3)o2)c1 15391398 RYTQCWUGCDFCNU-UHFFFAOYSA-N 299.374 3.872 0 40 CHAB Cc1cc(CC[C@H]2CCCN2CCC(F)(F)F)ccn1 2037845358 AYFHILHUWBPLEM-CQSZACIVSA-N 286.341 3.739 0 40 CHAB CC1=CCC[C@@H](C)[C@H]1CNc1ccc2oc(=O)[nH]c2c1 191950973 CARNDBIGMPSEKG-YPMHNXCESA-N 272.348 3.525 0 40 CHAB O=C(NCC1(c2cccs2)CC1)c1ccc(Cl)cc1 22679916 LEKBKMFGJXQLCZ-UHFFFAOYSA-N 291.803 3.863 0 40 CHAB CCCCCC[C@@](C)(O)[C@@H](C(=O)O)c1ccccc1 1577316 WSXBEMRFZYJPQB-GDBMZVCRSA-N 264.365 3.576 0 40 CHAB CCCCOc1ccc2ccccc2c1CC(=O)O 3133985 OUAGBTFTWYCYIC-UHFFFAOYSA-N 258.317 3.646 0 40 CHAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 4073880 RSIHSRDYCUFFLA-IDOBQSHNSA-N 286.415 3.655 0 40 CHAB biogenic O=C(NCc1ccco1)c1cc2cc(Cl)ccc2o1 7910804 MKIMUIFBURIORX-UHFFFAOYSA-N 275.691 3.609 0 40 CHAB CCOc1ncccc1C(=O)Nc1c(C)cc(C)cc1C 2619795 FAKPJLZVDSDYOM-UHFFFAOYSA-N 284.359 3.658 0 40 CHAB CC(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 32986009 ROXJOBZGSZXIFB-UHFFFAOYSA-N 271.345 3.558 0 40 CHAB CCCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1O 102800991 FMAYCRMTYNBHKV-UHFFFAOYSA-N 281.359 3.671 0 40 CHAB Cc1ccccc1-c1nnc2c3ccccc3c(C)nn12 532829 OQXJVASYICLZEM-UHFFFAOYSA-N 274.327 3.561 0 40 CHAB Clc1cccc(Cl)c1COC[C@H]1CCCCN1 28521947 GRKGVIAAOONXKX-SNVBAGLBSA-N 274.191 3.652 0 40 CHAB Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NC(C)C)cc1 89632112 IUNBWEVDFHCTOC-GDBMZVCRSA-N 274.408 3.886 0 40 CHAB CS[C@@H](C)C(=O)N[C@H](c1cccs1)C1CCCC1 42940654 FNRZMELWRPKLNA-GWCFXTLKSA-N 283.462 3.847 0 40 CHAB Clc1cccc2ncn3nc(Cc4ccccc4)nc3c12 61718421 OTOQLPWQJBFTTN-UHFFFAOYSA-N 294.745 3.522 0 40 CHAB Cc1ccncc1C(=O)c1cccc(Cl)c1Cl 45029030 HLFSGPZJCUVNQP-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Oc1nc(-c2ccc(Cl)cc2)n2c1cnc1ccccc12 12637885 VDKGSCMEPPVHMG-UHFFFAOYSA-N 295.729 3.909 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1ccc(Cl)nc1 2392713 FFJQZWOCSSZHSH-UHFFFAOYSA-N 297.782 3.821 0 40 CHAB Cc1ccc(SCCC(=O)Nc2ccccn2)cc1C 48361573 BTUSPDSZETVXHD-UHFFFAOYSA-N 286.400 3.819 0 40 CHAB CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccsc1 48366413 SIFKMPUUYFRSRV-CYBMUJFWSA-N 292.791 3.988 0 40 CHAB Cc1nc2cc(NC(=O)c3sccc3C)ccc2o1 12939782 XLFFYVDRXHDUSQ-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB Cc1ccc(CNc2cnc3ccccc3n2)c(C)c1 48565490 JRTGILGTZUXTTO-UHFFFAOYSA-N 263.344 3.859 0 40 CHAB Cc1ccc(NC(=O)NC2CCC(C)CC2)cc1F 13320240 OVCLYLCDBSJMSZ-UHFFFAOYSA-N 264.344 3.834 0 40 CHAB COc1cccc(NC(=O)c2ccc3sc(C)nc3c2)c1 408979198 PXHJQKIVWVNQQT-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB COc1ccnc(N[C@@H](C)c2cccc3ccccc23)n1 14240308 MQXHWHLYMCAUHS-LBPRGKRZSA-N 279.343 3.812 0 40 CHAB Cc1cccc(NC(=O)Cc2noc3c(C)cccc23)c1 4667873 ABYUZRUXQHXCED-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB Cc1nn(CC(C)C)c(Cl)c1CNCc1ccccc1 6650933 XJTNTXGUDDBLDT-UHFFFAOYSA-N 291.826 3.791 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2cc(C)ccc2C)s1 7068951 JSJYQPSJFBWRKY-UHFFFAOYSA-N 273.357 3.820 0 40 CHAB COc1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 9691936 HHDKWDLXXDCDDQ-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB COc1ccccc1O[C@H](C)CN[C@@H](C)c1ccccc1 19737861 GOELAECIDCMZCB-CABCVRRESA-N 285.387 3.813 0 40 CHAB O=C(Nc1cccnc1)c1cc2c(F)cccc2s1 9322280 ASPQRHGWPNGSEC-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB Oc1ccc2c(c1)CN([C@H]1CCCc3ccccc31)CC2 72291834 IVXQLEQJYREYDX-IBGZPJMESA-N 279.383 3.828 0 40 CHAB CCc1nc(CSCc2ncccc2C)cs1 97037575 WYXVBKSNBNCNDX-UHFFFAOYSA-N 264.419 3.842 0 40 CHAB c1cc(N[C@@H]2CCc3ccccc32)cc(-c2nc[nH]n2)c1 97038200 VTXJRBDBNUKDLF-MRXNPFEDSA-N 276.343 3.571 0 40 CHAB Cc1sc(CCCO)nc1-c1ccc(Cl)cc1 95403770 MWXQVMOVESUIES-UHFFFAOYSA-N 267.781 3.697 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2O)cc1 95974019 YHVJGFKYOSDJPT-UHFFFAOYSA-N 289.718 3.501 0 40 CHAB CC1=C[C@H](C)[C@H](CN2CCO[C@@H]2C(C)C)[C@H](C)C1 61854984 ZINAYKAEPVIUEM-XUWVNRHRSA-N 251.414 3.539 0 40 CHAB CCn1c(-c2ccc(Br)cc2)c(C)sc1=N 408576107 RRAQNYDFSAWOBC-UHFFFAOYSA-N 297.221 3.787 0 40 CHAB CCOc1ccc(Cl)cc1NC(=O)c1cccc(N)c1 37768689 SMWXXRGZBUDJTD-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB C/C=c1\ccccc1=C(c1ccccc1)c1ccccc1 51139505 FMWYHTXDQYQLRO-LAZPYJJCSA-N 270.375 3.734 0 40 CHAB Cc1nn(C)c2c(Nc3cccc4ccccc34)ncnc12 32649495 VWMFPUOELXUJKS-UHFFFAOYSA-N 289.342 3.569 0 40 CHAB COc1ccc(C2=CCN(C(=O)c3cccs3)CC2)cc1 47554437 FLFPDWKFHUEMBG-UHFFFAOYSA-N 299.395 3.686 0 40 CHAB C[C@H]1CCCC[C@H]1N1CCN(C[C@@H]2CC=CCC2)CC1 224082183 ADQAWJJCVOTDOE-RCCFBDPRSA-N 276.468 3.539 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NCC2CCCCC2)c(C)c1 224608677 NVOLPRJDFOCOEW-HNNXBMFYSA-N 289.419 3.767 0 40 CHAB Cc1ccc(Nc2ccc(NC(=S)NC3CC3)cn2)cc1 224032564 JVKBRSPQTUXDQH-UHFFFAOYSA-N 298.415 3.582 0 40 CHAB Cc1ccc([C@H](C)NC(=O)CCc2ccc(F)cc2)cc1 45174796 RZYHNRPLVPFJCK-AWEZNQCLSA-N 285.362 3.944 0 40 CHAB Cc1ccc2oc(-c3ccc4nc(N)sc4c3)nc2c1 40542367 VKHNMKXNECLZFR-UHFFFAOYSA-N 281.340 3.995 0 40 CHAB CC[C@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225320346 CYSXCZWVKDZJLX-VIFPVBQESA-N 274.191 3.841 0 40 CHAB CCOC(=O)c1csc(Nc2cccc(Cl)c2)n1 95929219 LRQLNBFIPZRBRG-UHFFFAOYSA-N 282.752 3.717 0 40 CHAB CO[C@@H](C)c1nc(Cl)cc(-c2cccs2)n1 96529057 ZMLLTMVXMWXNQK-ZETCQYMHSA-N 254.742 3.566 0 40 CHAB Cc1cccc(C(=O)c2cc(F)c(F)cc2F)c1C 95916798 WPOBKUPCCPSGTQ-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB CCc1c(C(F)F)[nH]c2ccc(Cl)cc2c1=O 685938462 TWQKXXGIEJWGQY-UHFFFAOYSA-N 257.667 3.682 0 40 CHAB Cc1nc2ccccc2n1C[C@@H](O)c1ccc(Cl)cc1 15554694 GCTHKGNOFWEDRP-MRXNPFEDSA-N 286.762 3.732 0 40 CHAB O=C(O)c1cn[nH]c1-c1ccc(C2CCCCC2)cc1 71608860 BSKMKIVEKLGUJW-UHFFFAOYSA-N 270.332 3.823 0 40 CHAB CC1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 96383098 XJYMFELGPARRIL-UHFFFAOYSA-N 296.370 3.746 0 40 CHAB CCCC[C@@H](CC)CNC(=O)CCc1ccccc1 5978469 QEVJIXFNTQTVKS-OAHLLOKOSA-N 261.409 3.952 0 40 CHAB CC(=O)N1CCc2cc(-c3cc4c(C)cccn4c3)ccc21 13227671 SYEFIXXSWKIGQU-UHFFFAOYSA-N 290.366 3.824 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(OC)c1 14013384 FJPACBSROXQBHU-KRWDZBQOSA-N 299.370 3.800 0 40 CHAB Cc1nn(-c2ccccc2Cl)c2nc3ccccc3nc12 16266499 JPBDZVCDENJVSB-UHFFFAOYSA-N 294.745 3.931 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@]12C[C@@H]2c1ccccc1 16607556 ABGBAHFQEQUBSI-SJLPKXTDSA-N 276.339 3.583 0 40 CHAB Cc1ccc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 19210124 UZMXGIYKFYCYJU-RBUKOAKNSA-N 299.389 3.749 0 40 CHAB C[C@H](NC(=O)c1cc(C2CC2)[nH]n1)c1cc2ccccc2o1 19458618 UXWWZKBTJWFJHM-JTQLQIEISA-N 295.342 3.524 0 40 CHAB Cc1ccc(Cc2nnc(SCc3ccccc3)[nH]2)cc1 226299478 IKOMADZFIRSUCG-UHFFFAOYSA-N 295.411 3.996 0 40 CHAB CCC(CC)NC(=O)N[C@@H](C)c1cccc(Cl)c1 32909425 HCROPZOXDVYKLH-JTQLQIEISA-N 268.788 3.889 0 40 CHAB CCOC(=O)Nc1ccc(N[C@H](C)c2ccccn2)cc1 37018839 RRYWPWQMHICUGD-GFCCVEGCSA-N 285.347 3.823 0 40 CHAB CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C 2061001060 WWRALUWFOYYMKZ-XEZPLFJOSA-N 289.419 3.669 0 40 CHAB CC(C)c1nnc2sc(-c3ccc(Cl)cc3)nn12 13566111 ZMQBFQXRMLTUGD-UHFFFAOYSA-N 278.768 3.630 0 40 CHAB CCOC(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 211079601 NULUYSITIGLVHW-ZDUSSCGKSA-N 265.328 3.552 0 40 CHAB CC[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1C 40103568 WPLZSDYUSPGCRY-ZDUSSCGKSA-N 264.344 3.931 0 40 CHAB c1ccc2c(c1)Nc1nc3ccccc3nc1S2 145748 YDHFECMXUFRSRV-UHFFFAOYSA-N 251.314 3.838 0 40 CHAB Cc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)co1 40497434 XWWOCDFXROBGHU-UHFFFAOYSA-N 258.321 3.635 0 40 CHAB c1ccc(-c2nc(CN3CCc4ccccc43)cs2)nc1 11049269 UALODDCXTXEDJD-UHFFFAOYSA-N 293.395 3.768 0 40 CHAB FC(F)(F)c1cccc(-c2c[nH]c([C@@H]3CCCN3)n2)c1 36874154 CYKVXZCFCZOGTJ-NSHDSACASA-N 281.281 3.520 0 40 CHAB in-vitro Cc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)cc1C 8048490 UULDYQGZZAABBY-UHFFFAOYSA-N 295.448 3.565 0 40 CHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)COc1ccccc1 994604 XXIALHVNXKYEOR-CYBMUJFWSA-N 299.345 3.572 0 40 CHAB CC(C)(C)c1ccccc1OCCC1CCNCC1 20593586 RRMCZLIYLNRTKT-UHFFFAOYSA-N 261.409 3.753 0 40 CHAB Fc1ccccc1-c1n[nH]c(=S)n1C1CCCC1 6438578 IFVZFPSTDOVDCF-UHFFFAOYSA-N 263.341 3.862 0 40 CHAB O=C(CCCOc1ccc(Cl)cc1)Nc1cccnc1 7504973 YQGAJPDJLNTJRX-UHFFFAOYSA-N 290.750 3.533 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=S)N(C)Cc1ccccc1F 7662510 XXIROAZEFJGYER-WFASDCNBSA-N 294.439 3.711 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2F)cc1C 8480326 OEYCHZNCPPOUSZ-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 8496282 DICBLDJUJUHAFB-LLVKDONJSA-N 291.297 3.679 0 40 CHAB CCOc1ccc(CNC(=O)/C=C/c2ccc(C)cc2)cc1 10448527 KRTORGHLHURXAX-JLHYYAGUSA-N 295.382 3.723 0 40 CHAB Cc1nnc(SCc2cc(-c3ccccc3)no2)s1 32865411 JIOVMUOFLAYLLT-UHFFFAOYSA-N 289.385 3.794 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCC1=CCCCC1 105702635 VAUVHWYRAVWBMF-JYJNAYRXSA-N 261.409 3.819 0 40 CHAB CC(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 9141354 JIARAWOWIRQEGU-UHFFFAOYSA-N 270.263 3.592 0 40 CHAB O=C1O[C@H](Nc2ccc(Cl)c(Cl)c2)c2ccc#cc21 102813270 QDLZESXDNAAFJD-ZDUSSCGKSA-N 292.121 3.875 0 40 CHAB O=C(c1cccc(OC(F)F)c1)N1CCC[C@H]1C1CCC1 102874935 PMMNPNVWZFLVBW-AWEZNQCLSA-N 295.329 3.693 0 40 CHAB Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)no1 41462240 SEPWQUPWLBZDMG-UHFFFAOYSA-N 285.225 3.646 0 40 CHAB CCN(CC)C(=O)Cc1ccc(-c2ccccc2)cc1 60390487 VVWQTZHBJQGNHV-UHFFFAOYSA-N 267.372 3.765 0 40 CHAB COC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1 3030636 WZWGYJPUUIFLRC-UHFFFAOYSA-N 289.718 3.723 0 40 CHAB Cc1occc1C(=O)N1CCCCC[C@@H]1c1cccn1C 25711799 DOMOEVJFWRATHK-MRXNPFEDSA-N 286.375 3.684 0 40 CHAB COc1ccccc1OCCCn1ncc2ccccc21 35606220 FONHOINDPDZSHM-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB Cc1ccccc1NC(=O)CCC(=O)c1cccs1 8207265 KVCZDUMNDCJAQW-UHFFFAOYSA-N 273.357 3.658 0 40 CHAB CCC[C@H](NC(=O)CCc1ccco1)c1ccccc1 48340036 KLESVKAFMRHTGP-INIZCTEOSA-N 271.360 3.870 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)CCc2c[nH]c3ccccc23)C1 12923456 CSBPTYOWQYCQIA-OKILXGFUSA-N 284.403 3.605 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1F 13004861 YXDYIBJIFQPPHV-NSHDSACASA-N 291.297 3.679 0 40 CHAB CCOC(=O)N1CCc2ccccc2[C@H]1c1ccccc1 38816430 DKKVDRQVNMALLN-QGZVFWFLSA-N 281.355 3.791 0 40 CHAB in-vitro Cn1ncc2c1N=C(O)C[C@H]2c1cccc2ccccc12 49548958 PWSRUUMVAISOIH-AWEZNQCLSA-N 277.327 3.697 0 40 CHAB CCCC(=O)Nc1ccc2c(c1)ncn2C(C)(C)C 4114811 VAIIRPRDTQIRIT-UHFFFAOYSA-N 259.353 3.530 0 40 CHAB c1csc(-c2nnc3sc(-c4ccsc4)nn23)c1 13726022 DNYHUKXIMWRJRD-UHFFFAOYSA-N 290.398 3.643 0 40 CHAB CC(=O)c1cccc(NC(=O)Nc2ccc(F)cc2)c1 6262509 DBZOVKGFAJACBW-UHFFFAOYSA-N 272.279 3.672 0 40 CHAB CCOCc1cccc(NC(=O)[C@H](OC)c2ccccc2)c1 69528168 UGDHONUCHCOZLR-QGZVFWFLSA-N 299.370 3.549 0 40 CHAB Cc1nc(-c2cccs2)sc1C(=O)NC(C)(C)C 65405005 JCCLIZDREILHDZ-UHFFFAOYSA-N 280.418 3.708 0 40 CHAB C[C@@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 4543758 FMGSKLZLMKYGDP-FLDBGCDGSA-N 288.431 3.879 0 40 CHAB CCOP(=O)(OCC)[C@](C)(O)c1ccc(Cl)cc1 4593620 QAWXOJPOBUZRDI-LBPRGKRZSA-N 292.699 3.771 0 40 CHAB Cc1ccccc1CS[C@H](C)C(=O)NC1CCCC1 66319138 UDXCJCDEPGKDRB-CYBMUJFWSA-N 277.433 3.676 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2C)o1 15502335 YYVLMZNSZKEILL-RSAASHCRSA-N 282.343 3.599 0 40 CHAB Fc1ccc(-c2csc(NC3CC3)n2)cc1F 7274478 GBQNPPIJMDHBDT-UHFFFAOYSA-N 252.289 3.663 0 40 CHAB CCCOc1ccc(C(=O)Nc2cccc(N)c2C)cc1 19736316 HNFHZEOUZMKLIQ-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB COc1cccc2cc([C@H](C)NCCc3ccccn3)oc12 89904626 XFENJZSDFKBCJU-ZDUSSCGKSA-N 296.370 3.730 0 40 CHAB CC(C)(C)c1ncc(/C=C/c2ncc(C(=O)O)s2)s1 78162498 WHKOUXNPVLLZQB-SNAWJCMRSA-N 294.401 3.766 0 40 CHAB C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1 95968124 AJWXTGBRHMKPDP-ZMZPIMSZSA-N 287.856 3.538 0 40 CHAB Cc1ccc(C)c(CC(=O)NCCCc2ccccc2)c1 30851804 QXSHVBUVGVOEBA-UHFFFAOYSA-N 281.399 3.595 0 40 CHAB CC(C)C[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)O 62718002 QAEFQOXKWJQGEE-OAHLLOKOSA-N 287.359 3.536 0 40 CHAB c1ccc2c(c1)N=c1c-2ccc2c1=Nc1ccccc1-2 38545446 FQKSBRCHLNOAGY-UHFFFAOYSA-N 254.292 3.550 0 40 CHAB O=C(NC1CC1)c1ccc(Oc2cccc(Cl)c2)o1 72264828 SNFFCMBWPCKTJN-UHFFFAOYSA-N 277.707 3.618 0 40 CHAB CSc1ccc2c(Cl)c(C(=O)O)sc2c1 228976549 BCJUSNXBODEIFQ-UHFFFAOYSA-N 258.751 3.975 0 40 CHAB Cc1nnc([C@H](C)N(C)Cc2cc(Cl)ccc2F)s1 225772738 PBSBMDVSNZIRDX-QMMMGPOBSA-N 299.802 3.832 0 40 CHAB O=C(c1ccc(Cl)cc1)c1cccc(C2OCCO2)c1 43212543 YKLMRXZISYGKBZ-UHFFFAOYSA-N 288.730 3.616 0 40 CHAB CC(C)c1ccc(C[C@H](Oc2ccccc2)C(=O)O)cc1 225044880 ZEIDZQHIDWVMIO-KRWDZBQOSA-N 284.355 3.885 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1ccsc1 40534477 OHFYDCYMVGBKJI-TZMCWYRMSA-N 261.390 3.768 0 40 CHAB Cc1nc(C)c(CNc2cccc(OCCF)c2)s1 96482930 JKQRKZIMIPPSGB-UHFFFAOYSA-N 280.368 3.720 0 40 CHAB Cc1cccc(C(=O)C(F)(F)C(F)(F)F)c1C 95916811 UGRTWWCPLHRPFX-UHFFFAOYSA-N 252.182 3.684 0 40 CHAB O=C(COCc1ccccc1)c1cccc(F)c1Cl 381980342 MNDPVVKNFXFSFN-UHFFFAOYSA-N 278.710 3.879 0 40 CHAB CCOC(=O)c1ccccc1C(F)(F)C(F)(F)F 169796710 RXYBGQXSFVHQQB-UHFFFAOYSA-N 268.181 3.517 0 40 CHAB CCCCC(=O)Nc1cc(C(=O)O)cc(Cl)c1Cl 226354395 LSJUROXFFYUILB-UHFFFAOYSA-N 290.146 3.820 0 40 CHAB CC(C)n1cc(/C=C2/SC(=O)NC2=O)c2ccccc21 1012954 KCEHHYKBTYGXHE-NTUHNPAUSA-N 286.356 3.546 0 40 CHAB CSc1ccccc1NC(=O)c1cc(C)c(F)cn1 1888885517 VPIFHMCCTQNPMM-UHFFFAOYSA-N 276.336 3.503 0 40 CHAB Cc1ccc(C)c(OCCn2c(C=O)nc3ccccc32)c1 11735058 PTTPIKKEUARUPJ-UHFFFAOYSA-N 294.354 3.545 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc2cccnc12 12923048 YIICVHRRJITHEL-NWANDNLSSA-N 280.371 4.000 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccccc2C)c1 13710371 KERVYKJAUHVGEB-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB CC(C)(C)N1CCO[C@H](c2cc3ccccc3o2)C1 14982182 FSLQAJDYQZJWQT-HNNXBMFYSA-N 259.349 3.605 0 40 CHAB O=C(c1ccccn1)N1CCCC[C@H](c2ccc(F)cc2)C1 206671192 IUJHZQYFDOCRSC-HNNXBMFYSA-N 298.361 3.631 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccs1 2656040 OVISMOZJLWGJAY-UHFFFAOYSA-N 299.351 3.578 0 40 CHAB CCn1c(C)cs/c1=N/c1ccc(Cl)cc1 100199410 VXZWMMKRZSTTNP-WYMLVPIESA-N 252.770 3.764 0 40 CHAB C1CCCN(C2CCN([C@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1 546969 XCZBNZIWHQGJOM-RYRKJORJSA-N 276.468 3.515 0 40 CHAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccco1 29024549 WOGWRFDSPIIGPA-UHFFFAOYSA-N 271.316 3.853 0 40 CHAB O=C(O)C1(c2cccc(C(F)(F)F)c2)CCCC1 8037143 APRXSIMKSSZHHM-UHFFFAOYSA-N 258.239 3.602 0 40 CHAB COC(=O)c1cc(-c2ccc(N)cc2)nc2c(C)cccc12 4973767 DCWKMLFMGUEXDJ-UHFFFAOYSA-N 292.338 3.579 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)c2ccccc2Cl)[C@@H]1C 6522794 TZOGOBWTTOQLHL-GYSYKLTISA-N 265.784 3.895 0 40 CHAB CCOCCCNc1cc(C)c2ccc(C)cc2n1 6550914 MBXOTYDEGBEYHF-UHFFFAOYSA-N 258.365 3.690 0 40 CHAB C[C@H]1CCCCN1c1ncnc2sc3c(c12)CCC3 383000 ODPGSUGWYJHEIW-JTQLQIEISA-N 273.405 3.559 0 40 CHAB O=C(O)c1ccc(-c2cccc(Cl)c2)nc1Cl 349998 KPAANIGWRMNSOE-UHFFFAOYSA-N 268.099 3.754 0 40 CHAB COc1cccc(CNC(=O)N(C)[C@@H](C)c2ccccc2)c1 11760560 VPEGEDGHBALMIA-AWEZNQCLSA-N 298.386 3.598 0 40 CHAB Cc1cc(C)n(-c2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)n1 32819294 OERLQSIVDHTJEI-GJZGRUSLSA-N 297.446 3.967 0 40 CHAB CC[C@@H](Sc1ccccc1NC(=O)C(C)(C)C)C(=O)O 8732847 GVEDGLCYOXFZLO-LLVKDONJSA-N 295.404 3.627 0 40 CHAB Cc1cccc(N2C(=O)c3ccc(Cl)cc3C2=O)c1C 483102 OKABYOXJFNWFOV-UHFFFAOYSA-N 285.730 3.757 0 40 CHAB CSc1nnc(C(c2ccccc2)c2ccccc2)o1 9200118 CVGPZCVDXNNMLG-UHFFFAOYSA-N 282.368 3.972 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(C)cc2C)c(C)c1 572735 MBDQNISSBBMRBH-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB Cc1cccc2[nH]c3c(N4C[C@H](C)C[C@@H](C)C4)ncnc3c12 542888 GZLZIFHKCXYDCJ-VXGBXAGGSA-N 294.402 3.902 0 40 CHAB Cc1cc2ncn(CN3CCc4ccccc4C3)c2cc1C 22308615 QZYAWEQPJSAHCZ-UHFFFAOYSA-N 291.398 3.669 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccn2)cc1 24581169 CEYTXUIJULIZIC-GFCCVEGCSA-N 272.373 3.509 0 40 CHAB O=C(CSc1ccncc1)Nc1ccc2ccccc2c1 12514929 KCXWIWRYZDOMKP-UHFFFAOYSA-N 294.379 3.966 0 40 CHAB Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)o1 12855223 QAHKKAVKGUPFJP-UHFFFAOYSA-N 267.328 3.518 0 40 CHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 17023877 KWNRKRLIBIWIRX-KGLIPLIRSA-N 295.448 3.763 0 40 CHAB c1ccc(CN2CC[C@@H](c3cc[nH]n3)c3ccccc32)cc1 306144193 YYPRTRPCTBUKRV-MRXNPFEDSA-N 289.382 3.952 0 40 CHAB O=C(Nc1ccccc1Cl)C1=Cc2ccccc2OC1 5034241 SKFMTOPWZKCFMB-UHFFFAOYSA-N 285.730 3.755 0 40 CHAB COc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=S)cc1 5123888 FDAHAYTYUSIKMK-JYRVWZFOSA-N 299.351 3.730 0 40 CHAB CCN(Cc1cn2c(C)cc(C)nc2n1)C1CCCCC1 6483226 JEIUODWFFTZAGZ-UHFFFAOYSA-N 286.423 3.501 0 40 CHAB Cc1occc1CN(C)C(=O)C(C)(C)c1ccccc1 65853655 MPPLJKYFIUHFRU-UHFFFAOYSA-N 271.360 3.524 0 40 CHAB CCOC(=O)c1ccccc1NC(=O)Nc1ccccc1C 5953285 GEWFOPVDGPJMAW-UHFFFAOYSA-N 298.342 3.816 0 40 CHAB O=C(c1cccs1)N(Cc1ccco1)c1ccccn1 15669843 NGPCGNJKNZVBLG-UHFFFAOYSA-N 284.340 3.583 0 40 CHAB O=C1CCc2c(Oc3ncnc4ccsc34)cccc21 8754524 GBAKHJADMIXICN-UHFFFAOYSA-N 282.324 3.613 0 40 CHAB CSCc1cccc(C(=O)Nc2cc(C)ccn2)c1 8745298 ZKMHRQBDLINTDB-UHFFFAOYSA-N 272.373 3.505 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccccc1OC(F)(F)F 9456299 NJXHUBPJHBJNLX-BQYQJAHWSA-N 297.232 3.830 0 40 CHAB Cc1ccc(O)c(C(=O)Nc2cccc(C)c2C)c1 19840422 TTYHEZAIXUWFMO-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB CCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9503225 YOQXVASTAQAQBU-AWEZNQCLSA-N 263.337 3.503 0 40 CHAB O=C(CC1=CCCCC1)N1CCc2sccc2C1 71882625 YJSPXXSJSGDXNQ-UHFFFAOYSA-N 261.390 3.523 0 40 CHAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc2c(c1)CCO2 84691861 VRQMBWWRVWSHOI-DOMZBBRYSA-N 288.391 3.664 0 40 CHAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 28628401 ZUEJGAMOGANUBX-BDAKNGLRSA-N 277.311 3.599 0 40 CHAB CCOC(=O)C[C@H](c1ccc(Cl)cc1)N1CCCCC1 72210305 OSCYBWFDNQMSBS-OAHLLOKOSA-N 295.810 3.820 0 40 CHAB CC(C)CN1CCC[C@H]1c1cccnc1NC1CCC1 72213902 XRXHOJVCUNHNRM-INIZCTEOSA-N 273.424 3.839 0 40 CHAB CN(c1ccccc1)c1ccc([C@H](O)c2ccccc2)cn1 72225326 WCCCTTCWQDKMOS-LJQANCHMSA-N 290.366 3.931 0 40 CHAB Cc1cccc([C@@H]2CCCCN2C(=O)c2ccccc2)n1 72211113 JTVPBYWMICBLEN-KRWDZBQOSA-N 280.371 3.757 0 40 CHAB NC(=S)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 73633998 RCGBQFUBTPKHKU-UHFFFAOYSA-N 288.759 3.782 0 40 CHAB Cc1cc(C(=O)Nc2cccc(NC3CCCC3)c2)no1 77614416 LGGLQTBVVUWQKI-UHFFFAOYSA-N 285.347 3.590 0 40 CHAB COc1ccc(NC(=O)C(C)(C)C)c2ccccc12 225785739 HDVYIRAIOZLOJF-UHFFFAOYSA-N 257.333 3.833 0 40 CHAB Fc1cc(Br)ccc1OC1CCCC1 144888946 IMWDHEKPSMEKNR-UHFFFAOYSA-N 259.118 3.910 0 40 CHAB Cc1csc(N2CCC(NCCC3=CCCC3)CC2)n1 90798386 HMDXMSLVTPYJIH-UHFFFAOYSA-N 291.464 3.510 0 40 CHAB CCN[C@@H](c1ccccc1)P(=O)(OCC)OCC 90460004 PKVYTCDYMVCIBP-CYBMUJFWSA-N 271.297 3.561 0 40 CHAB Cc1nnc(CCCS[C@H]2CCc3c(F)cccc32)o1 97379558 KINYFRWSLXYQLB-AWEZNQCLSA-N 292.379 3.870 0 40 CHAB C[C@H]1C[C@H](C)CN(c2ccc(Br)cc2)C1 95915754 RRXSUBUTPQBJIN-QWRGUYRKSA-N 268.198 3.931 0 40 CHAB Cc1ccc(CSCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 251502382 XCJISQTZOUBOJQ-HRCADAONSA-N 289.444 3.533 0 40 CHAB CC1(C)OC(=O)N(c2ccc(Cl)c(Cl)c2)C1=N 255187630 FSILCQJVHXUOME-UHFFFAOYSA-N 273.119 3.706 0 40 CHAB CC(C)CN(C)c1ccc(Br)c(F)c1 95915923 DQACKZUKGXJUQX-UHFFFAOYSA-N 260.150 3.680 0 40 CHAB Nc1c(C(F)(F)F)ccc2c1ccn2[C@@H]1CCCCO1 1504244945 MHRMASGUIMPTLD-LBPRGKRZSA-N 284.281 3.941 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)/C=C/c2csc(C)n2)s1 48974237 HTFNCMFVYODNJZ-BREXMAIKSA-N 292.429 3.712 0 40 CHAB C[C@H](CSC(F)(F)F)NCc1ccc(F)cc1 95918328 GVUDVYWFHBBPNX-MRVPVSSYSA-N 267.291 3.557 0 40 CHAB Fc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1 72200 WUQIRLPJIDQBKN-GFCCVEGCSA-N 278.352 3.540 0 40 CHAB N[C@@H](c1ccc(Br)cc1)C1CCCC1 19485699 YMKBUDRWAUHOKU-GFCCVEGCSA-N 254.171 3.639 0 40 CHAB O=C1Cc2ccccc2N1C1=C(Cl)CCC=C1Cl 1569985936 KLMDMBONBRIGJU-UHFFFAOYSA-N 280.154 3.943 0 40 CHAB Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)nc1 13326251 VJWUKZSSQPDGIF-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB Cc1c(Cl)cccc1NC(=O)Cn1c(C)ccc1C 14153047 UMZXZEQFJBHPJD-UHFFFAOYSA-N 276.767 3.705 0 40 CHAB Cc1nc([C@H]2CCN(Cc3ccccc3)C2)c2ccccn12 19240706 CUIGKZXKLSJFLD-KRWDZBQOSA-N 291.398 3.632 0 40 CHAB c1ccc(C(OCC2CCNCC2)c2ccccc2)cc1 2583364 BSSMSDMDCCVWTE-UHFFFAOYSA-N 281.399 3.792 0 40 CHAB Cc1cc(C)cc(C(=O)[C@H](O)c2cc(C)cc(C)c2)c1 1710984 NNYXPVWEXDNQBJ-QGZVFWFLSA-N 268.356 3.837 0 40 CHAB O=C(NCc1cc(F)cc(F)c1)c1cc(Cl)ccc1F 30160744 IAMAEQNLCWSLKS-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)c1)C1[C@H]2[C@@H]3CC[C@H](C3)[C@@H]12 100065668 SAILSUJYPAJUGC-XUEIOPPISA-N 295.304 3.936 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 6482659 MUMGGOZAMZWBJJ-ZOFHRBRSSA-N 288.431 3.879 0 40 CHAB biogenic,in-vitro COc1c(C(C)=O)ccc(OCc2ccccc2)c1C 156051 ARIPVVKYYGZBBM-UHFFFAOYSA-N 270.328 3.785 0 40 CHAB in-vitro C[C@@H]1CCC[C@@H](C)N1CCCCOc1ccc(C=O)cc1 217793736 BIRFBPSQXSDJJD-HZPDHXFCSA-N 289.419 3.921 0 40 CHAB C[C@@H](Cc1ccccc1)N[C@@H](C)Cc1ccccc1 1765638 XIZFJFZATSHCAL-HOTGVXAUSA-N 253.389 3.838 0 40 CHAB in-vitro Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(F)c2)o1 40098012 GKXCXLRYIDCDHR-LLVKDONJSA-N 276.311 3.918 0 40 CHAB CCOc1ccc(C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 99151 ITPSRBYXXLWMFW-QGZVFWFLSA-N 296.322 3.570 0 40 CHAB Cc1cc(OCC[C@H]2CCCCN2)cc(C)c1Cl 20221542 NETBXQKENDNSLE-CYBMUJFWSA-N 267.800 3.868 0 40 CHAB CC(C)OC(=O)CCCCCCCC(=O)OC(C)C 1687973 MCQNUBHLBYBDRS-UHFFFAOYSA-N 272.385 3.620 0 40 CHAB C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 4074123 DKVSUQWCZQBWCP-MGGVOPSTSA-N 282.383 3.639 0 40 CHAB biogenic COc1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 265839 KAHHQOHFIFIRSX-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB CC(C)N(C(=O)Nc1nc2ccccc2s1)C(C)C 6049652 CAKJEZVYMXUOLH-UHFFFAOYSA-N 277.393 3.947 0 40 CHAB CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 7037292 XMPJBGQXPCCKQX-KRWDZBQOSA-N 299.370 3.585 0 40 CHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)C1CCCC1 32796925 HZCBPMJFTXTARK-UHFFFAOYSA-N 288.366 3.559 0 40 CHAB CN(C(=O)CC(F)(F)F)[C@@H](c1ccccc1)C(F)(F)F 103050063 VDYTWDQVPYKHGD-JTQLQIEISA-N 299.214 3.701 0 40 CHAB Cc1cccc(-n2nc(C)cc2NC(=O)C[C@H]2C=CCC2)c1 32859953 YGJSXLZAHYRDIG-HNNXBMFYSA-N 295.386 3.784 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1cccnc1Cl 2763981 DODPJFJLRYYOPX-NSHDSACASA-N 268.788 3.681 0 40 CHAB O=C(NCC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 23876123 DSKXNBKRBRHWNH-SFHVURJKSA-N 295.382 3.653 0 40 CHAB O=C(NC(C1CC1)C1CC1)c1ccc(Cl)c(Cl)c1 25048342 OKZAMGWKCVKFGA-UHFFFAOYSA-N 284.186 3.912 0 40 CHAB CCn1ccc(NC(=O)c2cc(SC)ccc2Cl)n1 27929741 MGOKGBSSBBUWFQ-UHFFFAOYSA-N 295.795 3.531 0 40 CHAB Cc1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1 12793360 DOSIVRLCLCGWQH-UHFFFAOYSA-N 293.410 3.733 0 40 CHAB CC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)n(C)c1 12912867 OYWDCNZWOMSGES-UHFFFAOYSA-N 284.359 3.603 0 40 CHAB O=C1CCCCCCCCCC[C@H](O)CCCO1 4082261 FDGKLOJAQCXSKC-AWEZNQCLSA-N 256.386 3.585 0 40 CHAB biogenic CCc1cccc(NC(=O)c2ccc(COC)cc2)c1 14161014 HDJQDQFLMYERTL-UHFFFAOYSA-N 269.344 3.648 0 40 CHAB O=C(NCc1ccco1)c1ccc(-c2cccs2)cc1 4546226 BGNLLBWLDIZKMY-UHFFFAOYSA-N 283.352 3.938 0 40 CHAB CNCCO[C@@]1(c2ccccc2C)CCCC[C@@H]1C 4655644 PGWSTYAZLHDNFQ-RDJZCZTQSA-N 261.409 3.636 0 40 CHAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccn1 69777067 XQQIRKPJRJDDIR-HNNXBMFYSA-N 282.387 3.827 0 40 CHAB O=C(c1cnc(-c2ccccc2)nc1)N1CCCCCCC1 66895775 MTULNMKCQOIRHI-UHFFFAOYSA-N 295.386 3.550 0 40 CHAB CCC(C)(C)[C@@H]1CCc2c(C(=O)O)csc2C1 5916590 WWUGTZPJDPJNHC-SECBINFHSA-N 252.379 3.987 0 40 CHAB O=C(Nc1ccccc1F)c1ccc(-n2cccc2)cc1 15630936 ZYUCKEPVSJYFGR-UHFFFAOYSA-N 280.302 3.869 0 40 CHAB COCc1nc(-c2ccc(OC(F)F)cc2)cs1 67985620 RACRHABNYYTNTO-UHFFFAOYSA-N 271.288 3.558 0 40 CHAB Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1C 7637750 KVIKDSIJGJNUKG-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1 8941200 YLBJXXLAHQEUCI-UHFFFAOYSA-N 285.391 3.587 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc(N)c(C(F)(F)F)c1 19414389 DTKZULVOXVVIHP-UHFFFAOYSA-N 276.258 3.635 0 40 CHAB in-vitro Cc1ccc(NC(=O)c2ccnc(Cl)c2)c(C)c1 19813462 DXAKDGQGKMYPRK-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB COC(=O)[C@@H](c1ccccc1)N1CCC[C@@]2(CC=CCC2)C1 72287553 BKAATQKPXWVGSZ-MJGOQNOKSA-N 299.414 3.723 0 40 CHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(C)c2)C1=O 409010760 LAAIMSHPWJYBPR-VSXLWIIGSA-N 275.373 3.830 0 40 CHAB COc1ccccc1[C@@H](O)c1ccc(Br)cc1 37532261 KFWBRLAXHSSJCN-AWEZNQCLSA-N 293.160 3.539 0 40 CHAB Cc1ccc(C(=O)c2c(F)cc(F)cc2F)cc1 37358997 ORIBENOSMBSACR-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccccc1 31564244 ZNJMDGOUVFAULU-UHFFFAOYSA-N 295.367 3.787 0 40 CHAB Cc1cccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)c1 225017564 SLYIEMQLYKPCGC-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Cc1cc2c(cc1C)N([C@@H](C)C(=O)O)C(C)(C)C[C@@H]2C 223191839 BCORGBKIZUXZMR-STQMWFEESA-N 275.392 3.869 0 40 CHAB C[C@@H](C(=O)N1CCCCC1)c1ccc(Cl)s1 89905025 MUMWPUQNORARNO-SECBINFHSA-N 257.786 3.518 0 40 CHAB Cc1cc(-c2ccc(Cl)nc2)ncc1Br 536955257 VUBMFIVGRDQTRQ-UHFFFAOYSA-N 283.556 3.868 0 40 CHAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1ccccc1 54771773 WXYRCRWDGOFQHQ-QGZVFWFLSA-N 298.386 3.588 0 40 CHAB COc1ccc(C)cc1[C@H](C)N[C@H](CCO)c1ccccc1 96478216 XXHLDOJMQQMTGQ-MAUKXSAKSA-N 299.414 3.778 0 40 CHAB CCCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 3203300 MYTMSPZIIQMYPE-CQSZACIVSA-N 283.371 3.966 0 40 CHAB Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)c(C)c1 15744978 CZWLAVYRVRSRAR-HNNXBMFYSA-N 267.372 3.837 0 40 CHAB COc1ccc(/C(=C\[S@](C)=O)c2cccs2)cc1 17109620 XEUWRDIQJDFOCT-LVMGUKCRSA-N 278.398 3.524 0 40 CHAB Cc1ccc2c(C)c(C(=O)N[C@@H](C)c3ccncc3)oc2c1 19217998 ZFQCXHLASPJQDK-ZDUSSCGKSA-N 294.354 3.936 0 40 CHAB O=C(O)[C@H](Cc1cccc2ccccc12)C[C@H]1CCCO1 6118664 VEJYFDMNWGFBCT-HZPDHXFCSA-N 284.355 3.652 0 40 CHAB in-vitro O=C(Nc1cccc(Cl)c1)Nc1nnc(C2CC2)s1 3434590 HAOKYZBGFZSWAC-UHFFFAOYSA-N 294.767 3.713 0 40 CHAB O=C(Cc1ccc2ccccc2c1)NCc1ccccc1 12902890 YYHJVNAVKFTQGE-UHFFFAOYSA-N 275.351 3.699 0 40 CHAB CCCCCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 226791937 OMRCJBGIOHGQCF-CJNGLKHVSA-N 251.414 3.994 0 40 CHAB CC1(C)COC(CCCC(=O)c2ccc(F)cc2F)OC1 2518079 ZVDSLXCFTJCNCC-UHFFFAOYSA-N 298.329 3.717 0 40 CHAB CN(C)Cc1ccc(C(C)(C)C)cc1Br 1765945 ROINMEMOKUZLIU-UHFFFAOYSA-N 270.214 3.808 0 40 CHAB O=C(O)c1ccc2c(c1)ncn2C1CCCCCC1 257592 RRDSXPQGOFYKPD-UHFFFAOYSA-N 258.321 3.630 0 40 CHAB CC1(C)C(=O)[C@@]2(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]1C2 352952 MOTMTBSQXPJLGU-QLJPJBMISA-N 291.778 3.674 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 7996759 QGXBDMJGAMFCBF-IEYLFTFUSA-N 290.447 3.959 0 40 CHAB Cc1nc2ccccc2n1C[C@H]1CC1(Cl)Cl 352661 NVKCEYFKCICCSG-SECBINFHSA-N 255.148 3.539 0 40 CHAB Cc1cccc(-n2nc(CSc3ccccn3)cc2O)c1 10157364 UOIJUYDQPFLGFW-UHFFFAOYSA-N 297.383 3.574 0 40 CHAB Cc1cccc(/C=C(/C(=O)NC2CC2)c2cccs2)c1 32906797 BMDULWKMOUSTTA-RVDMUPIBSA-N 283.396 3.876 0 40 CHAB Cc1cc2oc(=O)cc(CN3CCCCCC3)c2cc1C 2616638 FLECHRAABWTVQW-UHFFFAOYSA-N 285.387 3.786 0 40 CHAB BrC1=C[C@@H]2[C@@H]3C=C[C@H](c4ccccc43)[C@@H]12 104134115 NPPNDZKDSHBZLV-HKUMRIAESA-N 259.146 3.962 0 40 CHAB CC(=O)c1ccc(NCCCc2ccccc2)cc1 41570814 NCQFMRFOECTPML-UHFFFAOYSA-N 253.345 3.934 0 40 CHAB CC(=O)c1nc2cc(Cl)ccc2n1Cc1ccccc1 53944118 UKBOLMBKQWSQLJ-UHFFFAOYSA-N 284.746 3.941 0 40 CHAB CCc1nc2c(c(C)c(C)n2Cc2cccnc2)c(N)c1C 12324678 CGAWNZQQLPOZBK-UHFFFAOYSA-N 294.402 3.549 0 40 CHAB CCc1sc(N)c(C(=O)c2ccc(C)cc2)c1C 113188056 SZCYLFKFKPZANL-UHFFFAOYSA-N 259.374 3.741 0 40 CHAB Clc1ccc(COCC2CCNCC2)cc1Cl 28522016 JVEKHUMWCGJDRK-UHFFFAOYSA-N 274.191 3.510 0 40 CHAB COc1cccc(NC(=O)C(C)(C)c2ccccc2)c1 26511403 KFIDTAIPHFMLEV-UHFFFAOYSA-N 269.344 3.612 0 40 CHAB CC(C)(C)c1ccc(/C=C/C(=O)NCC2CC2)cc1 27469731 BRODMGLCQYFXKP-DHZHZOJOSA-N 257.377 3.524 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2cccnc2)cc1Cl 10262226 VISBAMWQEAUNFT-NSHDSACASA-N 289.766 3.926 0 40 CHAB Cc1cnc(NC(=O)Cc2ccc3ccccc3c2)s1 12768088 OBKPYSRZHCLYDJ-UHFFFAOYSA-N 282.368 3.786 0 40 CHAB Cc1cccc2c1N[C@H](c1ccccc1Cl)NC2=O 12727841 MVVQBCISAIKBQU-AWEZNQCLSA-N 272.735 3.503 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)cc1 3486824 ZDUCJXIMRGYGJK-NSHDSACASA-N 289.762 3.840 0 40 CHAB Cc1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1C 3444515 YXIBNDYCFWUCAC-UHFFFAOYSA-N 286.400 3.891 0 40 CHAB O=C1CCC[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]12 12959686 RFCMYEBTZKSRRN-GBESFXJTSA-N 293.366 3.917 0 40 CHAB COCc1ccccc1C(=O)Nc1cccc([C@@H](C)OC)c1 69584637 XQUJKBUMRHDGIZ-CYBMUJFWSA-N 299.370 3.793 0 40 CHAB FC(F)(F)c1ccc2sc([C@H]3CCCN3)nc2c1 4219234 PCNZBAFICKOFAW-MRVPVSSYSA-N 272.295 3.740 0 40 CHAB CCc1ccc(Oc2ncnc3ccccc23)cc1 5658299 BXDHQVZAVSICPC-UHFFFAOYSA-N 250.301 3.985 0 40 CHAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccon1 89913453 RZVHOWUYWIELJT-LLVKDONJSA-N 298.298 3.551 0 40 CHAB COc1cccc([C@@H]2NCC[C@@H]2c2ccccc2)c1 84238177 IJEGNJDSCQSXES-SJORKVTESA-N 253.345 3.513 0 40 CHAB in-vitro O=C(CCC1CCCC1)Nc1nc(C2CC2)cs1 25560376 UFUFSKWCDRGUOZ-UHFFFAOYSA-N 264.394 3.929 0 40 CHAB Cc1nsc(N[C@@H](C)c2cc3ccccc3o2)n1 78903606 LOVMWYHCICZWNC-QMMMGPOBSA-N 259.334 3.766 0 40 CHAB COc1ccc(C(=O)c2ccc(F)c(C)c2)cc1F 55262605 JEKIORUVKHZRFI-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCC[C@@H](C)C1 216383390 NDTGMNCLUPAFNB-CXAGYDPISA-N 289.419 3.719 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1ccncc1 32907364 BCLGRGDZMVOMGK-HNNXBMFYSA-N 285.322 3.590 0 40 CHAB Cc1ccc(CN(C)C(=O)c2cc(C)ccc2C)cc1 225158635 WYSIRRVEDWLRED-UHFFFAOYSA-N 267.372 3.884 0 40 CHAB Cc1c(-c2nc3ccccc3s2)cccc1-n1cnnc1 45886852 RCZBKHULHBPRSX-UHFFFAOYSA-N 292.367 3.852 0 40 CHAB COc1cc(Nc2ccnc3ccccc23)cc(OC)c1 41055599 LANRIDJSQDQMAP-UHFFFAOYSA-N 280.327 3.996 0 40 CHAB CC1(C)CC(=O)[C@H]2C(c3ccc(C(C)(C)C)cc3)=NN[C@@H]2C1 228932674 BGCOUAMXBGPCCU-ZBFHGGJFSA-N 298.430 3.665 0 40 CHAB Cc1nc(Cc2ccc(Br)cc2)oc1C 82572944 ZQCQREACQNYOLZ-UHFFFAOYSA-N 266.138 3.645 0 40 CHAB COC[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 249173803 DCLWKIWDAOWICU-UTUOFQBUSA-N 291.313 3.678 0 40 CHAB COc1ccc(OC)c(C(=O)c2cccc(F)c2Cl)c1 95916705 CANXEGJPKVPTSL-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB O=C(C=Cc1ccccc1)OCC=Cc1ccccc1 1857743008 NQBWNECTZUOWID-UHFFFAOYSA-N 264.324 3.956 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1Cl 194730 NYLBKLGDPCYCHF-UHFFFAOYSA-N 294.763 3.612 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](F)[C@@H]2O 13649948 KDLLNMRYZGUVMA-ZXXIGWHRSA-N 290.378 3.557 0 40 CHAB Cc1ccc2cc3c(nc2c1)N(C(=O)c1cccs1)CC3 15841910 OWZBQDBQZNRJJY-UHFFFAOYSA-N 294.379 3.808 0 40 CHAB Cc1c(-c2ccccc2)nc(-c2ccc(F)cc2)n1O 16264961 GQTAVWSZIPOJTL-UHFFFAOYSA-N 268.291 3.902 0 40 CHAB C[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1 1433932 CEDPTGRLCXOSGS-LHNRBYRGSA-N 265.356 3.620 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)Nc2cn(C)c3ccccc23)C1 5265579 BSJVRBBCSGAOQB-STQMWFEESA-N 285.391 3.688 0 40 CHAB CCCCC(=O)NCCc1cccc2ccccc12 13761221 CWHUORVFHXFPIP-UHFFFAOYSA-N 255.361 3.689 0 40 CHAB CCOc1cc(Cn2c(C)ccc2C)ccc1OC 8729277 WKWHBCRTZYLSKT-UHFFFAOYSA-N 259.349 3.561 0 40 CHAB CC[C@@H](C)NC(=O)Nc1ccc(C)cc1Br 40023742 OVLWPMSWMFGNPC-SECBINFHSA-N 285.185 3.678 0 40 CHAB CC(C)(C)c1noc(CN2CCC[C@H]2c2cccs2)n1 40051161 MSDUKUDZOVVKBB-NSHDSACASA-N 291.420 3.766 0 40 CHAB c1ccc(CSc2nc(CCC3CCCC3)n[nH]2)nc1 31203151 OZVYCKNGAUUEKB-UHFFFAOYSA-N 288.420 3.615 0 40 CHAB COc1ccc(-c2cncc(Br)c2)cc1 20358034 NMABCNUNSGFELM-UHFFFAOYSA-N 264.122 3.520 0 40 CHAB O=C(OCCc1ccccc1)c1ccccc1Cl 1586577 FANZVPUMGJHASY-UHFFFAOYSA-N 260.720 3.740 0 40 CHAB CCc1ccc(C(=O)c2cncc(Br)c2)cc1 2502681 LVEXQFBVZXNTGJ-UHFFFAOYSA-N 290.160 3.638 0 40 CHAB biogenic CCC(CC)C(=O)NC[C@H](c1ccccc1)N(CC)CC 40615116 ACFOCIZQXORZLB-QGZVFWFLSA-N 290.451 3.622 0 40 CHAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1 7917285 UIJFXDUMBCUHKU-UHFFFAOYSA-N 298.342 3.816 0 40 CHAB Cc1cc([C@H](O)c2cccc(Br)c2)ccc1F 55201587 QODMGSVRAIMKNY-CQSZACIVSA-N 295.151 3.978 0 40 CHAB CCCc1nc2c(Cl)cc(Cl)cc2c(=O)n1CC 58314775 YAVQKRABJYETOR-UHFFFAOYSA-N 285.174 3.676 0 40 CHAB CC(C)(C)C(=O)CSc1nc(CCC2CCCC2)n[nH]1 32883969 IKSOXLDZOUEOSV-UHFFFAOYSA-N 295.452 3.635 0 40 CHAB Cc1ccc(CCCNC(=O)/C=C/c2ccco2)c(C)c1 8062765 DVKSGXJYTBYGLA-MDZDMXLPSA-N 283.371 3.659 0 40 CHAB Cc1ccccc1-c1nnc2sc(-c3ccccc3)nn12 529622 VZJDTUZDWAZIMZ-UHFFFAOYSA-N 292.367 3.828 0 40 CHAB COc1ccc(C2=Nc3ccccc3NC=C2)cc1 22126309 NAQCRQBWIKBAOL-UHFFFAOYSA-N 250.301 3.755 0 40 CHAB CC[C@H]1CCCCN1Cc1cc(Cl)cc2c1OCOC2 16695699 HQVRDTIOJOQVGL-HNNXBMFYSA-N 295.810 3.971 0 40 CHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccncc2)o1 75543965 ACVCVDNCUOGIIP-SWLSCSKDSA-N 299.374 3.988 0 40 CHAB O=C(Nc1ccc(F)cc1)C1(c2ccccc2)CCC1 8112782 ZUIVOYXUCWWVRK-UHFFFAOYSA-N 269.319 3.886 0 40 CHAB Cc1ccc(SCC(=O)Nc2ncc(C)s2)c(C)c1 10556023 RADBYANRANXBGO-UHFFFAOYSA-N 292.429 3.799 0 40 CHAB COC[C@H](C)NC(=O)c1oc2c(ccc3ccccc32)c1C 12623087 NFBHDLPCTSCLBX-NSHDSACASA-N 297.354 3.659 0 40 CHAB C[C@H](c1cccs1)N(C)Cc1ccc2c(c1)OCCO2 48331692 LLUPUXQFIFTIRL-GFCCVEGCSA-N 289.400 3.712 0 40 CHAB CSc1ccc(Cl)c(C(=O)NCc2ccccc2)c1 3430807 NATHOOJSECWYBW-UHFFFAOYSA-N 291.803 3.992 0 40 CHAB Cc1sc2ncnc(N3CCCC[C@@H]3C)c2c1C 3568811 BLGKFXIJYTUSTC-VIFPVBQESA-N 261.394 3.687 0 40 CHAB c1cnc(-c2nc(-c3ccc4c(c3)CCC4)cs2)cn1 48640712 SLCDCEMCGRGVGB-UHFFFAOYSA-N 279.368 3.756 0 40 CHAB CCc1nc(NC(=O)C=C(C2CC2)C2CC2)sc1C 48651527 ASVQCQIWIREPAV-UHFFFAOYSA-N 276.405 3.699 0 40 CHAB O=C(OCc1nccc2ccccc12)c1ccccc1 4227995 CXWVMGMEZKXKBG-UHFFFAOYSA-N 263.296 3.592 0 40 CHAB Cc1ccc(SCCNC(=O)C[C@@H]2C=CCC2)cc1C 39978510 XNVYKZPSYKFDEM-OAHLLOKOSA-N 289.444 3.868 0 40 CHAB O=C(c1cc2ccccc2nc1C1CC1)C(F)(F)F 18190114 LRAMWKZQQDIFLE-UHFFFAOYSA-N 265.234 3.857 0 40 CHAB C[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccccn1 69950177 QBJMJNGAGQKJGT-LLVKDONJSA-N 296.292 3.831 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1ncccn1 6913319 AYPICMKKBRVBEN-LLVKDONJSA-N 297.383 3.630 0 40 CHAB O[C@@H]1CCCc2c(Oc3ncnc4ccsc34)cccc21 8761840 QCKLWSDFPMKKCI-CYBMUJFWSA-N 298.367 3.853 0 40 CHAB C1=C[C@@H](Sc2nccn2Cc2ccccn2)CCC1 71903284 MRDWXPWZXPSIKY-CQSZACIVSA-N 271.389 3.527 0 40 CHAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)nc1 78795510 WUAGWUIINBDNQX-WZRBSPASSA-N 278.783 3.528 0 40 CHAB Cc1c(Cl)cccc1NCc1nnsc1Cl 72314813 QSKAZAAOZQTJLZ-UHFFFAOYSA-N 274.176 3.765 0 40 CHAB C[C@H](NCc1cccc(CN(C)C)c1)c1cccc(F)c1 95419685 XCPIITXBSYIGHD-AWEZNQCLSA-N 286.394 3.738 0 40 CHAB C[C@@H](c1cccnc1)N(C)Cc1ncc(-c2ccccc2)o1 95977291 XCRLVWZOXUMFIH-AWEZNQCLSA-N 293.370 3.930 0 40 CHAB Clc1ccccc1Cc1cccc([C@H]2CCCN2)n1 72343734 CSYIODIYSODKRY-OAHLLOKOSA-N 272.779 3.750 0 40 CHAB O=C(O)Cc1c(Cl)ccc(C(F)(F)F)c1Cl 71867301 QTDIIHDMBZOTED-UHFFFAOYSA-N 273.037 3.639 0 40 CHAB Cc1cccc2cc3c(nc12)OCCN(Cc1ccco1)C3 72392254 LGKBXHBNXDGADW-UHFFFAOYSA-N 294.354 3.531 0 40 CHAB CCCNC(=O)Nc1ccc(OC2CCCC2)cc1 44326780 LYMRNOHIXQWLBB-UHFFFAOYSA-N 262.353 3.540 0 40 CHAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CC2)cn1 225940156 QFUBEAOOOGYINQ-UHFFFAOYSA-N 296.370 3.539 0 40 CHAB C[C@@H](c1ncc(C(C)(C)C)o1)n1ccc(C(F)(F)F)n1 89126375 LSTOAAPODWYRNE-QMMMGPOBSA-N 287.285 3.797 0 40 CHAB CCc1ccccc1C[C@H](Oc1cc(C)cc(C)c1)C(=O)O 225040092 GMBSAYFWPPPFSN-SFHVURJKSA-N 298.382 3.941 0 40 CHAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)cc1 225625346 NFFYZAOJAVOYKQ-ZDUSSCGKSA-N 291.391 3.762 0 40 CHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1 223663774 JIVHRQLZLXORAF-UHFFFAOYSA-N 297.398 3.793 0 40 CHAB Cc1ccccc1CNC(=O)Cc1ccc(Cl)cc1F 222817421 JSBYOOKLUPRHGO-UHFFFAOYSA-N 291.753 3.646 0 40 CHAB CCCCCC(=O)Nc1cc(N)ccc1N1CCCCC1 226253609 LPJFPXYFEBHGOJ-UHFFFAOYSA-N 289.423 3.778 0 40 CHAB CC(C)CN(C(=O)Nc1ccccc1-n1cccn1)C1CC1 48151311 KJDCZNNIACWRCI-UHFFFAOYSA-N 298.390 3.525 0 40 CHAB Nc1ccc(Oc2cccc3[nH]ncc23)c(Cl)c1 80443136 RBPGUVBTSYWXGV-UHFFFAOYSA-N 259.696 3.591 0 40 CHAB in-vitro BrC1=NO[C@H]2c3cccc4cccc(c34)[C@@H]12 5767900 MELXZMFYUDZEJV-NEPJUHHUSA-N 274.117 3.717 0 40 CHAB Cc1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 13788594 FGJFEJDPGJMXSD-UHFFFAOYSA-N 286.356 3.533 0 40 CHAB C[C@H](O)c1cccc(NC(=S)Nc2ccccc2)c1 16576763 SOBMLKPBPMXDSB-NSHDSACASA-N 272.373 3.549 0 40 CHAB Cc1cc([C@@H]2CCCCCN2Cc2cccc(O)c2)on1 19120297 OHKURPHHXFBYEC-INIZCTEOSA-N 286.375 3.806 0 40 CHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1O 19838571 FTUBVPDEKVSHHN-UHFFFAOYSA-N 297.232 3.543 0 40 CHAB CSc1scc2c1-c1[nH]c(=S)ncc1CC2 6259750 FEFSPUMIWMINDU-UHFFFAOYSA-N 266.416 3.688 0 40 CHAB CCCC[C@H](CC)C(=O)O[C@@H](C)C(=O)Nc1ccccc1 1641156 OWGNFZPHTFMKSU-KBPBESRZSA-N 291.391 3.773 0 40 CHAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Cl 206761576 OYLCGYCEFUDODA-FOSCPWQOSA-N 295.835 3.839 0 40 CHAB CC1(C)c2cc(C(=O)O)cc(C(=O)O)c2C(C)(C)C1(C)C 38228103 DPDKFKAXMBXWIB-UHFFFAOYSA-N 290.359 3.678 0 40 CHAB O=C(Cc1cccs1)c1ccc(F)cc1Cl 38125994 CTVHPTIIZVRHFS-UHFFFAOYSA-N 254.713 3.966 0 40 CHAB O=C(/C=C/c1ccccc1F)NC1CCC(F)(F)CC1 575414580 LVEMAJZTSCEJDB-AATRIKPKSA-N 283.293 3.533 0 40 CHAB Cc1cc(C)c(NC(=O)CCN2CCCCCC2)c(C)c1 262161 KJCVTRCUIMUEDD-UHFFFAOYSA-N 288.435 3.816 0 40 CHAB CCCCC[C@@H](C)NC(=O)[C@H](CC)Oc1ccccc1 2494966 YOLLAQNVBDXOGS-ZBFHGGJFSA-N 277.408 3.929 0 40 CHAB O=C(Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 1573558 INLLOSOLPJOHQE-UHFFFAOYSA-N 298.729 3.815 0 40 CHAB COC(=O)c1cc(Cl)ccc1NC(=O)C1CCCCC1 1618634 AXWRMWRONKZXKX-UHFFFAOYSA-N 295.766 3.645 0 40 CHAB O[C@@H]1Cc2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1 1695666 QTBPVJOHAFKPAU-CABCVRRESA-N 293.288 3.776 0 40 CHAB CC(=O)Nc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 3417648 GNWAIYVJBSCUPU-ZDUSSCGKSA-N 296.370 3.777 0 40 CHAB CC1=NN(C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 312618 OPNAUUUJLJIQOT-MRXNPFEDSA-N 264.328 3.650 0 40 CHAB CSCCC(=O)Nc1nc(-c2ccc(C)s2)cs1 7719040 NFRHQVBUEKOOOL-UHFFFAOYSA-N 298.458 3.872 0 40 CHAB NC(=O)c1ccc(-c2ccccc2Oc2ccccc2)o1 32576481 YNZYBVMHIKORGV-UHFFFAOYSA-N 279.295 3.838 0 40 CHAB Cc1cc2ccccc2n1Cc1cccc(C(=O)O)c1 8702178 TXSCZBYDCLKDNL-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB C[C@H](CSc1nncn1C1CC1)c1ccccc1 71909634 JRJVSGLPSRPUIX-LLVKDONJSA-N 259.378 3.509 0 40 CHAB CC(C)NC(=O)c1csc(-c2cccc(Cl)c2)n1 61036196 ZHIIQLRZIPLNPJ-UHFFFAOYSA-N 280.780 3.602 0 40 CHAB CC(C)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 1460439 ZOFJNNXCDMMDND-KBPBESRZSA-N 295.448 3.762 0 40 CHAB C[C@@H]1CCCN(C(=O)Nc2ccccc2OC(F)F)C1 58217900 OUYLVBQPRHCANX-SNVBAGLBSA-N 284.306 3.552 0 40 CHAB CSc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1 3343678 FCDRHMBFYHMNPL-UHFFFAOYSA-N 296.754 3.848 0 40 CHAB CCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12757430 WJAVKDPCLAFNFQ-PDYKDVAVSA-N 291.394 3.810 0 40 CHAB O=C(OCc1ccccc1Cl)c1n[nH]c2ccccc12 6370897 JABHYMFGIKTXHH-UHFFFAOYSA-N 286.718 3.573 0 40 CHAB CO[C@@H]1OCC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]21 27550862 ZRMYQEWJUHSZKS-NHIYQJMISA-N 250.382 3.768 0 40 CHAB biogenic C[C@H](NC(=O)/C=C/c1ccsc1)c1nc2ccccc2[nH]1 8775476 OOVBTVFCMOFQLV-MLRMMBSGSA-N 297.383 3.515 0 40 CHAB O=C(Nc1ccncc1)c1ccc2c(c1)-c1ccccc1C2 8721429 MIGCMEOQRKMHTQ-UHFFFAOYSA-N 286.334 3.905 0 40 CHAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3C(C)C)c1 71283759 ULQALIWOEBCLAI-CYBMUJFWSA-N 285.347 3.596 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 22538080 DAEDXGCZYKNGSB-GFCCVEGCSA-N 287.334 3.634 0 40 CHAB CC[C@@H](CNCc1ccccc1)Oc1cccc(C)c1 19737831 RULGRYLJYCLOBQ-KRWDZBQOSA-N 269.388 3.942 0 40 CHAB Cc1noc(C)c1NC(=O)N(Cc1cccs1)C1CC1 71799538 XVUWIVKPHLBGNK-UHFFFAOYSA-N 291.376 3.549 0 40 CHAB C[C@H](SCc1cccc(F)c1)C(=O)NC1CCCC1 71818596 QAUDWXLVISWFFQ-NSHDSACASA-N 281.396 3.506 0 40 CHAB Cc1nc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)cs1 95422171 DXOAEFMLFRGKTR-MNOVXSKESA-N 278.425 3.641 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN[C@H](C)[C@H](C)CO)o1 77420741 UHFIKTIOBBEJTC-DGCLKSJQSA-N 291.366 3.501 0 40 CHAB COc1cc([C@H](C)Nc2cccnc2)ccc1OC(F)F 95969112 SBEBWZWXGHHQRZ-JTQLQIEISA-N 294.301 3.865 0 40 CHAB COC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 72207229 ZMEHYZAOFLUSPF-GHMZBOCLSA-N 275.373 3.743 0 40 CHAB CC(C)Oc1cc(C(=O)NC2CCCC2)cc2occc12 72240180 PPUJNESUSYYMRL-UHFFFAOYSA-N 287.359 3.892 0 40 CHAB CCCCN1CCC[C@@H]1c1cnc(S)c(C)c1 72218265 VNMOGWIENVPLDT-CYBMUJFWSA-N 250.411 3.616 0 40 CHAB CCOC(=O)c1ccc(CNc2ccc(Cl)cc2)o1 40174275 HSCUEWRXSXHKBP-UHFFFAOYSA-N 279.723 3.722 0 40 CHAB CC(C)COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C)cc1 49544756 YWUVREIUWKRXIR-AWEZNQCLSA-N 299.374 3.579 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc(C)c1 44849898 BHNXYTYTHSIVRH-QGZVFWFLSA-N 297.398 3.777 0 40 CHAB CCc1cccnc1NC(=O)c1cc(C2CCCCC2)n[nH]1 89521037 VRTWJPSQFYWOJL-UHFFFAOYSA-N 298.390 3.667 0 40 CHAB CCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1C 225629059 UEAUQIIMPACGNS-UHFFFAOYSA-N 291.391 3.682 0 40 CHAB CC[C@@H](C)c1ccccc1OCC[C@@H]1CCCNC1 42772475 XYFBXOLZRMMDCB-CABCVRRESA-N 261.409 3.969 0 40 CHAB Cc1ccc(C(=O)NCCSCc2ccco2)c(C)c1 223482808 QUDKFMPBERZNBR-UHFFFAOYSA-N 289.400 3.560 0 40 CHAB COc1ccc2cc(Br)cc3c2c1CC[C@@H]3O 85398466 ZMKXJUVCVNMRDE-LBPRGKRZSA-N 293.160 3.591 0 40 CHAB O=C(C1CC=CC1)N1C[C@@H]2CCCC[C@]21c1ccccc1 89827757 WASCVALTHPQRBA-HKUYNNGSSA-N 281.399 3.881 0 40 CHAB CCOc1ccc(-c2noc(-c3ccc(C)c(N)c3)n2)cc1 225172594 ZBRMLKDUABKQKD-UHFFFAOYSA-N 295.342 3.693 0 40 CHAB Cc1nc2cc(C(=O)Nc3ccc(F)cc3)ccc2o1 49677112 PCLAECRYJKYNBA-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB CC[C@H](C)C(=O)c1ccc(Br)c(F)c1 229251034 ITOTYTGDHRUONM-ZETCQYMHSA-N 259.118 3.817 0 40 CHAB C[C@@H]1CC(=O)c2cnn(-c3cc(Cl)ccc3Cl)c2C1 199727318 HUDHULCAFVTBNT-QMMMGPOBSA-N 295.169 3.944 0 40 CHAB Cc1csc2c(N[C@@H](C)c3ccncc3)ncnc12 191135258 NAODWHSMUPPATN-JTQLQIEISA-N 270.361 3.568 0 40 CHAB COc1cccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1 12618585 WAOHGAYUURJKOO-INIZCTEOSA-N 299.395 3.659 0 40 CHAB COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1O 8163733 BMKALRRUSYCTQY-DHDCSXOGSA-N 284.336 3.730 0 40 CHAB Clc1cccc2sc(N3CCCCC3)nc12 4101470 GQCMPPLBHWCLSX-UHFFFAOYSA-N 252.770 3.940 0 40 CHAB CCSc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 6439959 GCEHVSRQHQUQIF-STQMWFEESA-N 277.433 3.917 0 40 CHAB C[C@H]1CCC[C@H](C)N1CCCOc1cccc(C=O)c1 217790693 WYOIWKKKCRPOMC-GJZGRUSLSA-N 275.392 3.531 0 40 CHAB Cc1ccc(-c2cc(O)cc3sc(=O)oc23)cc1 137435 RUCVHWRDFXVMMU-UHFFFAOYSA-N 258.298 3.536 0 40 CHAB CCN(Cc1ccco1)C(=O)c1cc2c(F)cccc2[nH]1 31457835 LVORJNMUFAFGJS-UHFFFAOYSA-N 286.306 3.562 0 40 CHAB O=C(NC(C1CC1)C1CC1)N1CCC[C@@H]1c1ccccc1 45437483 WIPXVVGFDWILGZ-MRXNPFEDSA-N 284.403 3.722 0 40 CHAB CCCCCCNS(=O)(=O)c1ccc2ccccc2c1 1791251 ZWEKMMGFVWYXHQ-UHFFFAOYSA-N 291.416 3.698 0 40 CHAB Cc1ccc(CN(Cc2nnsc2Cl)C2CC2)cc1 45783815 SSNQESVNKRRZLA-UHFFFAOYSA-N 293.823 3.665 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)c(C)c1 364967 KYNHHBLKZBJYHD-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CCC[C@@H](C)NC(=O)COc1ccccc1C(C)(C)C 8041561 YFCJDMQDBRQJFA-CYBMUJFWSA-N 277.408 3.668 0 40 CHAB Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1ccc(C(C)C)cc1 29427663 PMPHFYGYPCHSAR-GFCCVEGCSA-N 299.418 3.651 0 40 CHAB O=C(O)/C=C/c1cnc(-c2ccc(Cl)cc2Cl)nc1 8730990 VYMVBZJJSICQSF-DAFODLJHSA-N 295.125 3.548 0 40 CHAB COc1ccc([C@H](O)c2coc3ccc(OC)cc23)cc1 489859 WVKKPNQRAKDHIU-KRWDZBQOSA-N 284.311 3.532 0 40 CHAB biogenic O=C(c1sc2ccccc2c1Cl)N1CCSCC1 484179 PKLMRKFUHNJHNR-UHFFFAOYSA-N 297.832 3.744 0 40 CHAB Cc1ccc(C(=O)CCC(=O)NC2CCC(C)CC2)s1 21876516 DBLJBAPKEZARAY-UHFFFAOYSA-N 293.432 3.714 0 40 CHAB CC(C)Sc1ccccc1NC(=O)C[C@@H]1CCCO1 89891032 ZUHYZCCPZRVHBW-LBPRGKRZSA-N 279.405 3.695 0 40 CHAB CCCOc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 27790632 XUMPQZAHVFNMCF-UHFFFAOYSA-N 298.338 3.515 0 40 CHAB CCCN1C(=O)C(C)=C(C)[C@H]1N[C@@H]1CCCc2ccccc21 23343411 QFLGGFHQRAPBEC-MSOLQXFVSA-N 298.430 3.568 0 40 CHAB Clc1cc(-c2ccccc2)ccc1O[C@@H]1CCNC1 42775000 YBVOBYCKZFVIGU-CQSZACIVSA-N 273.763 3.748 0 40 CHAB COc1ccc(OC(=O)Cc2ccc3ccccc3c2)cc1 24004156 DEHQYPMQGRNTRC-UHFFFAOYSA-N 292.334 3.997 0 40 CHAB Cc1ccccc1C(=O)N1c2ccccc2C[C@H]1C 1431562 WUNMRVWPZMRLJQ-CYBMUJFWSA-N 251.329 3.586 0 40 CHAB Cc1cc(-c2noc(-c3ccncc3)n2)c2ccccc2n1 1426598 JLPZZWZXDAVXIW-UHFFFAOYSA-N 288.310 3.655 0 40 CHAB O=C(Nc1cccc(O)c1)c1cc(Cl)cc(Cl)c1 20211762 UZITVMJLKKYVLQ-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB CCCCCC(=O)Nc1cc(C(=O)O)cc(Cl)c1OC 20136610 LDARWLKLMBOYIN-UHFFFAOYSA-N 299.754 3.566 0 40 CHAB Cc1cc(C)nc(SCC(=O)c2ccccc2Cl)n1 3243542 HYWXVGUPRBRNIA-UHFFFAOYSA-N 292.791 3.722 0 40 CHAB C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccs1 28427277 KSPKEYLATJGCRX-JTQLQIEISA-N 295.354 3.836 0 40 CHAB Cc1cc2c(=O)n(C3CCCC3)c(=S)[nH]c2s1 16991101 AQQQIKOVOZEZRN-UHFFFAOYSA-N 266.391 3.544 0 40 CHAB CCCNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 13329865 VUSOSBVAAFRKSE-MRVPVSSYSA-N 275.179 3.764 0 40 CHAB Cc1ccc(NC(=O)Cn2cnc3ccccc32)c(Cl)c1 5198930 OVFAVJMSHMSCDO-UHFFFAOYSA-N 299.761 3.637 0 40 CHAB Cc1ccc2c(CN3C[C@H](C)C[C@@H](C)C3)cc(=O)oc2c1 5163220 GYQYYSLJMFFRTC-ZIAGYGMSSA-N 285.387 3.579 0 40 CHAB biogenic Fc1nc(C(F)(F)F)c(Cl)c(F)c1Cl 68591094 OKUPIXFKUGISOF-UHFFFAOYSA-N 251.969 3.685 0 40 CHAB CCOc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 13957096 XGVBJXPIMTZUTM-UHFFFAOYSA-N 298.317 3.958 0 40 CHAB C[C@@H](C1CC1)N(C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 69871560 UEHYBLBLTBWAPM-FZMZJTMJSA-N 299.336 3.980 0 40 CHAB CNC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 14239815 AFKKNDAEZBESEI-UHFFFAOYSA-N 276.339 3.570 0 40 CHAB O=C(Cc1ccsc1)Nc1ccc(Cl)cc1 5573530 CQAYEIMBHVCHEH-UHFFFAOYSA-N 251.738 3.583 0 40 CHAB CC(=O)c1cccc(NC(=O)c2ccc3ncsc3c2)c1 6627846 WGZBRFFMANZYSK-UHFFFAOYSA-N 296.351 3.751 0 40 CHAB CCCCNC(=O)Cc1sc(C)nc1-c1cccs1 15840041 ULWHFNZUVKPUIM-UHFFFAOYSA-N 294.445 3.639 0 40 CHAB Nc1ccccc1NC(=O)c1cc(Cl)ccc1Cl 19401715 FBDKTQKYWQZANR-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Cc1ccc(C(=O)C(Cl)(Cl)Cl)c(C)c1 307437440 SCVKJNCUNVMBJT-UHFFFAOYSA-N 251.540 3.856 0 40 CHAB Cc1ncccc1NC(=O)c1cc2ccccc2s1 76091538 LSKTVQNNIDWBIY-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB NC1(c2ccc(Br)cc2)CCCCC1 36906430 RZUGXFFZRKVUNT-UHFFFAOYSA-N 254.171 3.567 0 40 CHAB O=C(c1cccc2ccccc12)N1CCOC12CCCCC2 35671201 WXULHLJPLIKTOL-UHFFFAOYSA-N 295.382 3.973 0 40 CHAB Cc1c(-c2ccccc2)c(=O)oc2cc(N(C)C)ccc12 79006759 DRBCCIKMQGBWPR-UHFFFAOYSA-N 279.339 3.834 0 40 CHAB Cc1ccc(-n2c3nc(=O)sc-3cc3ccccc32)cc1 32597816 DUYBAALTFUTXBV-UHFFFAOYSA-N 292.363 3.860 0 40 CHAB CCc1c(-c2ccc(Cl)cc2Cl)n[nH]c1N 36916120 QXWSRLUGWULNIT-UHFFFAOYSA-N 256.136 3.528 0 40 CHAB CCCN1CC=C(c2nc3cc(Cl)ccc3[nH]2)CC1 73636290 DAUPLRYHKUGQOT-UHFFFAOYSA-N 275.783 3.715 0 40 CHAB CCN1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213974 ONIVZYZQKWPHHG-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB Cc1cc(C)cc(NC(=S)NCCCc2ccco2)c1 225804221 UAUUKQLXYCUHSF-UHFFFAOYSA-N 288.416 3.816 0 40 CHAB Cc1ccc(O[C@@H](Cc2ccccc2F)C(=O)O)cc1C 225052272 TVYHULNXTGVREU-INIZCTEOSA-N 288.318 3.517 0 40 CHAB Cc1cccc(C(NCc2ncc[nH]2)c2cccc(C)c2)c1 84052562 DSZLHJUUYZEWSC-UHFFFAOYSA-N 291.398 3.906 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1C 41091173 ZJOKLQDOBXDEJO-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Cc1ccc(-n2cccc2CN2CCCCC2)cc1 225309493 ATEHKEUPRGMGCE-UHFFFAOYSA-N 254.377 3.772 0 40 CHAB COc1ccc(-c2csc(Br)n2)cc1F 41464314 UFBHMPDKWJAYAA-UHFFFAOYSA-N 288.141 3.720 0 40 CHAB O=C(NCc1cncc(-c2cccs2)c1)[C@H]1CC=CCC1 225664710 OKIJREYYAWAIGJ-AWEZNQCLSA-N 298.411 3.783 0 40 CHAB Cc1ccnc(NC(=S)N[C@H](C)c2ccccc2C)c1 225755261 ABAFLJOWPSVDQH-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB Cc1ccc2nc(Cl)c(Br)cc2c1 95098175 GSXVJNQLNBDSPJ-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB Cn1c(-c2ccccc2)csc1=Nc1ccccc1 254379539 CYXROHQDZYCSOJ-UHFFFAOYSA-N 266.369 3.986 0 40 CHAB Fc1cc(Br)cc(OC2CCCC2)c1 88138743 LSFBPGIQKUOZGB-UHFFFAOYSA-N 259.118 3.910 0 40 CHAB COC(=O)c1ccc(Br)c(Cl)c1Cl 575710124 HUUZWLYNMDKOHP-UHFFFAOYSA-N 283.936 3.543 0 40 CHAB Fc1ccc(CCNCc2ccccc2Cl)cc1 19871917 UTKHBYYNDIUBFF-UHFFFAOYSA-N 263.743 3.811 0 40 CHAB COc1ccc2c3c(ccc2c1)C1=NCC[C@@]1(C)CC3 5052839 ZACAJAJLRYUXFS-GOSISDBHSA-N 265.356 3.994 0 40 CHAB Cc1ccc(CN2C[C@@H](C)C(=O)Nc3ccccc32)cc1 16904032 NTNGDPDVQQBITD-CQSZACIVSA-N 280.371 3.590 0 40 CHAB CCCOC(=O)CCCCCCCC(=O)OCCC 4722486 QNYVMFXFJYGAJO-UHFFFAOYSA-N 272.385 3.624 0 40 CHAB CC(C)CNC(=S)Nc1cccc(C(F)(F)F)c1 5497985 OSHZXOZGQYCTMA-UHFFFAOYSA-N 276.327 3.648 0 40 CHAB Cc1ccc(C)c2sc(N3CC[C@@H](CF)C3)nc12 2086992542 ZQXWWNRXZYQHQR-NSHDSACASA-N 264.369 3.709 0 40 CHAB C[C@H]1CCCCN1CCCCOc1ccc(C=O)cc1 206991503 CPBFCBUKTPVXSC-HNNXBMFYSA-N 275.392 3.533 0 40 CHAB Nc1cccc(C2(N3CCCCC3)CCCCC2)c1 30834181 NKXACTXBEKZFQY-UHFFFAOYSA-N 258.409 3.914 0 40 CHAB in-vitro CCc1ccccc1NC(=O)C1SCSCS1 114485 IABPEVNDKPPJKD-UHFFFAOYSA-N 285.459 3.642 0 40 CHAB CCCc1nc2ccccc2c(=O)n1CCc1ccccc1 799392 COTHHWVMFQBANM-UHFFFAOYSA-N 292.382 3.592 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CNCC1CCCCC1 812208 SHSCPZSMBQIIHE-UHFFFAOYSA-N 294.826 3.757 0 40 CHAB O=C(c1ccccc1)c1ccc2ccc(F)cc2c1C(=O)O 1600358 ZWYFFQMUVNKEBH-UHFFFAOYSA-N 294.281 3.908 0 40 CHAB CN1C(=O)C[C@H](Sc2ccccc2)c2ccccc21 2041537 IFCVJGNTWZXCDA-HNNXBMFYSA-N 269.369 3.887 0 40 CHAB Cc1ccc2c(c1)nc1n2C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 6401301 XTWQSORRZBPXII-APPDUMDISA-N 268.360 3.908 0 40 CHAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc2cccnc12 364297 SHIYLMDMMYRKQT-ZDUSSCGKSA-N 292.338 3.641 0 40 CHAB COc1cc(C(=O)Nc2cc(C)ccc2C)ccc1C 7068847 ABLKGMUHCYJXED-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB Cc1ccc(CC(=O)NC(C(C)C)C(C)C)cc1C 10009779 PJHHNQZUNKXDHF-UHFFFAOYSA-N 261.409 3.643 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)c1sc2ccccc2c1C 32777950 LBQHTNTYKAQOPY-UHFFFAOYSA-N 299.399 3.812 0 40 CHAB O=C(NCc1ccccc1F)c1ccc2ccccc2c1 2635648 AHKKUKHYJCCYFH-UHFFFAOYSA-N 279.314 3.909 0 40 CHAB C[C@H]1[C@@H](OC(=O)c2cccnc2Cl)C[C@H]2C[C@H]1C2(C)C 102597265 IJHZKXKTULKZJV-WFFHOREQSA-N 293.794 3.963 0 40 CHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc[nH]2)cc1 58353001 DIPKUJGTRZJGKF-KRWDZBQOSA-N 298.386 3.781 0 40 CHAB CN(C(=O)/C=C/c1ccco1)[C@H]1CCCc2ccccc21 23151770 BJTDXRSTQUMCGO-FLVLSHQESA-N 281.355 3.829 0 40 CHAB Clc1nc(-c2ccccc2)nnc1-c1ccccc1 12336379 RMDDWZKDMIUPAG-UHFFFAOYSA-N 267.719 3.859 0 40 CHAB O=C(Nc1cc(F)ccc1F)c1cccc2ncccc12 24926241 FERMLTVXMKFHAI-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB Fc1ccc2c(c1)[C@@H](NC1CCSCC1)CCS2 35043871 DCDJSZGFOPWXSZ-ZDUSSCGKSA-N 283.437 3.848 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc2oc(C=O)cc2c1 29753733 DYYIRQNEAOZSBO-UHFFFAOYSA-N 261.277 3.592 0 40 CHAB O=[S@@](Cc1ccccc1)Cc1c(F)cccc1Cl 58184122 DHDBZOOWOOVWMK-GOSISDBHSA-N 282.767 3.928 0 40 CHAB CC[C@@H]1CO[C@H](Cn2c3ccccc3c3ccccc32)O1 2357061 OUEUSWBXKLGSDC-ACJLOTCBSA-N 281.355 3.946 0 40 CHAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCCC1 3360799 JJXZYBHWNWDPRC-UHFFFAOYSA-N 272.392 3.806 0 40 CHAB O=C(Nc1ccccc1F)c1cc(Cl)ccc1F 12777202 SLSLNRXDRIPCKP-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB Cc1ccc(SCc2cc(=O)n3cc(C)ccc3n2)cc1 16484052 GVDBCUZEYSRQEO-UHFFFAOYSA-N 296.395 3.604 0 40 CHAB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C)n1 48364118 RLMVIEBEXGVSCM-UHFFFAOYSA-N 294.807 3.767 0 40 CHAB Cc1ccc(Oc2cc(C(F)(F)F)nc(N(C)C)n2)cc1 3469923 HVBFXDGGNGYDDB-UHFFFAOYSA-N 297.280 3.662 0 40 CHAB Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1F 13320160 KUZXKEFDNDUSAQ-FZMZJTMJSA-N 264.344 3.834 0 40 CHAB CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1 4190086 XIXMMIAXZQPUCX-UHFFFAOYSA-N 294.354 3.951 0 40 CHAB CCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 4612014 IAAQACPVAQJCPP-UHFFFAOYSA-N 295.404 3.541 0 40 CHAB CCCCCc1nnc(NC(=O)c2cccs2)s1 4785232 VMGWVEUALXHOOQ-UHFFFAOYSA-N 281.406 3.585 0 40 CHAB CCOC(=O)c1sc2c(C(F)(F)F)cccc2c1N 80443995 CSCVXEZXMHYQRS-UHFFFAOYSA-N 289.278 3.679 0 40 CHAB in-vitro CC[C@H](Sc1ccccc1)C(=O)Nc1c(C)noc1C 71894097 YUIXVBDPFMRSQM-ZDUSSCGKSA-N 290.388 3.801 0 40 CHAB c1ccc2c(c1)CC[C@@H]2N(Cc1nc(C2CC2)no1)C1CC1 71826823 AOWJRBPQMGVSCY-INIZCTEOSA-N 295.386 3.599 0 40 CHAB Cc1ccc([C@H](O)CN[C@@H](C)CCc2ccccc2)cc1 76082199 AEOIERRZSZMVIE-QFBILLFUSA-N 283.415 3.639 0 40 CHAB Cc1cc(C(=O)N(C)Cc2ccccc2Cl)c(C)o1 97610306 PAARHNIGTVFNMN-UHFFFAOYSA-N 277.751 3.822 0 40 CHAB CC[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)cc1 84734068 DSHLPNCDNJEMLA-GOEBONIOSA-N 287.382 3.641 0 40 CHAB CC(C)N(Cc1cccc(F)c1F)C[C@H]1CCCCO1 95455743 HGFLOTRBOMSHDB-CQSZACIVSA-N 283.362 3.744 0 40 CHAB C/C(=C/c1ccccc1)CNCCCNc1ccncc1 75107977 DZWDXICCOLYGKB-PEZBUJJGSA-N 281.403 3.577 0 40 CHAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccco1 72221577 AUNXPNNKKKEOMQ-CQSZACIVSA-N 255.317 3.647 0 40 CHAB C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccccc1 78556032 NSJIIMDUBQPLSR-XIKOKIGWSA-N 262.349 3.836 0 40 CHAB CC(=O)N1CCC[C@H]1c1cccnc1Oc1ccccc1 72212193 KTPQTIIEZWAXLH-INIZCTEOSA-N 282.343 3.557 0 40 CHAB O[C@@H](c1cccc(F)c1)c1ccccc1Br 39206775 FNOLIQBFMNUMST-ZDUSSCGKSA-N 281.124 3.670 0 40 CHAB CNCCCNc1cc(C)nc2c(C)c(Cl)ccc12 222688327 ZORHNMLFASOMKA-UHFFFAOYSA-N 277.799 3.526 0 40 CHAB O=C(Nc1ccc2nccnc2c1)c1cccc(Cl)c1 47179063 OMVLJXLFTZFTLU-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 89920384 WIRSYWOZIORQBX-HACGYAERSA-N 282.387 3.878 0 40 CHAB CC(C)n1c(=O)sc2cc(NC(=O)C(C)(C)C)ccc21 225178128 QGHNIXBSOKAKEJ-UHFFFAOYSA-N 292.404 3.629 0 40 CHAB O=C(NC1CCCCC1)c1ccc2nc(Cl)oc2c1 225974656 CPQMHZLOEJIUBR-UHFFFAOYSA-N 278.739 3.544 0 40 CHAB O=C(O)C1(Cc2ccccc2)CCC(F)(F)CC1 83351190 GGWNCOADQPGJKK-UHFFFAOYSA-N 254.276 3.509 0 40 CHAB CC1CCC(=Cc2nc(-c3cncs3)no2)CC1 333211393 PTVLKOPPOHQEQG-UHFFFAOYSA-N 261.350 3.787 0 40 CHAB CC(C)(C)OC(=O)n1cc(C=O)c2cccc(Cl)c21 95911117 ORHHXQZYTBZMSD-UHFFFAOYSA-N 279.723 3.890 0 40 CHAB CO[C@@H](C)c1nc(Cl)cc(-c2ccc(C)cc2)n1 96529136 CKNHBLLBCJNQSM-JTQLQIEISA-N 262.740 3.813 0 40 CHAB C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 253742 QPOUGHQRILNRSG-SRXBQZRASA-N 269.319 3.716 0 40 CHAB COc1ccc([C@@H](Cc2ccccc2)NC(C)C)cc1 5962978 ZHGBQLQLVBPUJF-GOSISDBHSA-N 269.388 3.977 0 40 CHAB Clc1ncnc(-c2ccccc2)c1Br 5490285 WVUYMEHUPXATFE-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB COc1ccc(C2([C@H]3NCCC4=C3CCCC4)CC2)cc1 5766110 OKPBMVNJXZSMGO-SFHVURJKSA-N 283.415 3.959 0 40 CHAB C[C@H](Cc1cccs1)NC(=O)[C@H](C)Cc1cccs1 19457191 GIJPQIYAWLFOTE-VXGBXAGGSA-N 293.457 3.736 0 40 CHAB CC(C)c1ccc(/C=C/C(=O)Nc2nccs2)cc1 2739151 SKYXHLUDOCZVBP-VMPITWQZSA-N 272.373 3.918 0 40 CHAB COc1ccc(C(=O)c2ccc(C)cc2C)cc1OC 36940961 ZAXPETAWATWZPK-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB CCC[C@H](C)NC(=O)Nc1cccc(SC)c1 40023783 USAJVVZQTPVBOB-JTQLQIEISA-N 252.383 3.719 0 40 CHAB Fc1cc(F)cc(CNc2nc3ccccc3o2)c1 30517197 LCYVQOOGVBBTOD-UHFFFAOYSA-N 260.243 3.718 0 40 CHAB O=C1N[C@H](c2ccc(C(F)(F)F)cc2)Oc2ccccc21 179910 PXRZMXYWGNJDSU-AWEZNQCLSA-N 293.244 3.526 0 40 CHAB CN1CCC(=C2c3ccccc3C(O)c3ccccc32)CC1 1481770 HLBRHTFSMMEHPK-UHFFFAOYSA-N 291.394 3.609 0 40 CHAB in-man CN(C)c1nc(-c2ccccc2)cc(-c2ccc(O)cc2)n1 1589548 ATORPKIZQDFLAC-UHFFFAOYSA-N 291.354 3.582 0 40 CHAB CSc1cc2c(cc1NC(C)=O)C(=O)c1ccccc1-2 1701581 YZNXKGGJQYQTIT-UHFFFAOYSA-N 283.352 3.578 0 40 CHAB Cc1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1C 3097286 OSVKRYJQZURXKY-ACJLOTCBSA-N 285.387 3.619 0 40 CHAB CCSc1nnc(S[C@H](C)c2cccnc2)s1 59324873 OVTLJCGTUIBZGL-MRVPVSSYSA-N 283.447 3.898 0 40 CHAB Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1cccnc1)N2 4458704 IOVAHOLPZVDXOD-KRWDZBQOSA-N 276.343 3.534 0 40 CHAB O=C(O)c1cc(-c2ccc(C3CCCCC3)cc2)[nH]n1 6849514 VWQGKXCGAQZNHB-UHFFFAOYSA-N 270.332 3.823 0 40 CHAB Cc1cccc(NC(=O)CCSCc2ccccc2)n1 7367082 XBZWYFXHDOWRKT-UHFFFAOYSA-N 286.400 3.652 0 40 CHAB CC[C@H](C)c1ccc(NC(=S)NC(C)C)cc1 7518380 XOBZJQQQPCTCGU-NSHDSACASA-N 250.411 3.895 0 40 CHAB Brc1cncc(Oc2ccccc2)c1 21298894 VIAAKVXECVQWOE-UHFFFAOYSA-N 250.095 3.636 0 40 CHAB Fc1cccc(CSc2nnc(C3CC3)n2C2CC2)c1 32739697 BNQWRGNWJQAQHO-UHFFFAOYSA-N 289.379 3.922 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 10287269 NHTONFNMTMMBGE-LBPRGKRZSA-N 289.762 3.770 0 40 CHAB CCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C1CCCCC1 32902888 YPYVSADIVFHPEU-YIONKMFJSA-N 291.435 3.563 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(F)(F)F 57316788 MDVLVQZGDICFCK-UHFFFAOYSA-N 291.578 3.860 0 40 CHAB FC1(F)S[C@@H]2[C@H]3C[C@@H]([C@@H]4CCC=C43)[C@H]2C1(F)F 104147846 SBJPRTIBDXTBFQ-MFQRKTBASA-N 264.287 3.932 0 40 CHAB CCCOC(=O)c1ccc(-c2ccc(C=O)o2)c(Cl)c1 57351504 RBOHVEDMYRTJGO-UHFFFAOYSA-N 292.718 3.979 0 40 CHAB CSC(=S)n1/c(=N\C(C)(C)C)sc2ccccc21 100762098 ZGUQWTFXPNODGY-SDNWHVSQSA-N 296.486 3.898 0 40 CHAB O=C(O)CCCCCCC(=O)c1cccc(F)c1F 2243639 KAOYELMEFDMPBM-UHFFFAOYSA-N 270.275 3.573 0 40 CHAB CC(=O)c1sc(NCc2ccc(C)cc2)nc1C 3326338 KHEDQKZOJGPXPW-UHFFFAOYSA-N 260.362 3.575 0 40 CHAB CC[C@@H]1CCc2sc(C(=O)NC3CCCC3)cc2C1 12785057 AYJYBNBOWXKDBL-LLVKDONJSA-N 277.433 3.935 0 40 CHAB CCc1ccc(Cn2nccc2NC(=O)C2CCCC2)cc1 13020812 RDQKRBJHLLHCLG-UHFFFAOYSA-N 297.402 3.623 0 40 CHAB CCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 69456460 SNUMXPABVABWOK-GFCCVEGCSA-N 271.282 3.779 0 40 CHAB CCc1ncc(C(=O)OCc2ccc(SC)cc2)s1 65645692 RMBVXGWDBNKQKI-UHFFFAOYSA-N 293.413 3.784 0 40 CHAB O=C(c1cccc(Cl)c1)C(F)(F)Br 307238111 HETKZURBFDQVLS-UHFFFAOYSA-N 269.472 3.510 0 40 CHAB Cc1noc(C)c1C(=O)Nc1ccccc1N1CCCCC1 6820614 NCDBPYMXYJRSCN-UHFFFAOYSA-N 299.374 3.534 0 40 CHAB O=C(c1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 15544741 MYOAWOGUXNGYKG-INIZCTEOSA-N 291.354 3.540 0 40 CHAB Oc1nc(-c2cccs2)nc2c1Cc1ccccc1O2 15673796 RBYNCSVJWAMMTI-UHFFFAOYSA-N 282.324 3.607 0 40 CHAB O=C(Nc1nccs1)c1cc2ccccc2s1 7787247 LMQZJJIODNNGQA-UHFFFAOYSA-N 260.343 3.610 0 40 CHAB Cc1cccc(CS[C@@H](C)C(=O)Nc2cc(C)on2)c1 71877690 JLACVZSAWKGIQR-LBPRGKRZSA-N 290.388 3.552 0 40 CHAB Cc1cccc(OC2CCN([C@@H](C)CC(C)C)CC2)n1 95940897 SDLUAMAXPNDGFB-HNNXBMFYSA-N 276.424 3.668 0 40 CHAB C[C@H]1CCC[C@H](C)N1CCN1[C@@H](C)CCC[C@H]1C 114718901 RVIVTMWGPRUAIG-YHUYYLMFSA-N 252.446 3.512 0 40 CHAB Cc1ccc2cccc(OCc3nnc(C(C)(C)C)o3)c2n1 75092377 DTUFEJCSRLPGDJ-UHFFFAOYSA-N 297.358 3.803 0 40 CHAB Fc1ccc(-c2cc3nccc(-c4cccnc4)n3n2)cc1 79481642 XSZSAEYLUARPFG-UHFFFAOYSA-N 290.301 3.597 0 40 CHAB CCc1nc(COc2cc(Cl)cc(Cl)c2)no1 59961752 GZCSTRDPYUEWBL-UHFFFAOYSA-N 273.119 3.518 0 40 CHAB Fc1cccc(Nc2ccc(Br)cn2)c1F 35682607 YYGQUMLNZHVUMU-UHFFFAOYSA-N 285.091 3.866 0 40 CHAB C[C@@H](Cc1cccs1)NC(=O)c1c(F)cccc1Cl 33206208 QDDDMMYRMXPECG-VIFPVBQESA-N 297.782 3.902 0 40 CHAB CC(C)Oc1ccccc1C(=O)NCCSC(C)(C)C 219733950 YPZHIRHIOZCVKL-UHFFFAOYSA-N 295.448 3.735 0 40 CHAB CC[C@H](C)n1c([C@@H](C)N)nc2cc(Cl)ccc21 40408270 UTULRFIGBDTCCG-DTWKUNHWSA-N 251.761 3.680 0 40 CHAB COc1cc(OC)c2c(Cl)csc2c1OC 228966847 RJSYKTQSZAZKTL-UHFFFAOYSA-N 258.726 3.581 0 40 CHAB c1ccc2c3c(ccc2c1)[C@H](NCc1cc[nH]n1)CCCO3 84055935 NLUGGGLDQLFEFU-QGZVFWFLSA-N 293.370 3.566 0 40 CHAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1Cl 40114273 HIMCPGZFIZOPAT-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)nc1 40418396 KOYOPZRHGLWXDG-LLVKDONJSA-N 268.788 3.681 0 40 CHAB Cc1ccccc1OCC(=O)N[C@H](C)CCc1ccccc1 49535389 JLQWUDLJLPFWEZ-MRXNPFEDSA-N 297.398 3.511 0 40 CHAB CC(C)CCN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 44488029 HJNPUYVBCCETAV-NEPJUHHUSA-N 279.346 3.860 0 40 CHAB COCOc1ccc(Br)cc1C(C)C 90413320 KPLBYOKNCPAYNS-UHFFFAOYSA-N 259.143 3.555 0 40 CHAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C(F)(F)F)c1 247475536 HAIIAJAXYIKTDK-GMXVVIOVSA-N 297.320 3.871 0 40 CHAB CCCC[C@@H](C)C(=O)NC1CCC(OC(C)C)CC1 252509312 YKVLUMXEYYUUFG-WLYUNCDWSA-N 269.429 3.665 0 40 CHAB CC(C)(C)OC(=O)N1CCC(SC(F)(F)F)CC1 91252864 RJEYIHYAPMMEJO-UHFFFAOYSA-N 285.331 3.639 0 40 CHAB Cc1ccc(C(=O)c2cc3c(cc2Cl)OCCO3)cc1 1455699 PQRJJHZKPZZGMU-UHFFFAOYSA-N 288.730 3.651 0 40 CHAB CCOc1ccc2c(c1)c(C)cc[n+]2Cc1ccccc1 5466678 UEZIKSQNEQXBOQ-UHFFFAOYSA-N 278.375 3.883 0 40 CHAB Cc1c(C(=O)N[C@@H](C)c2ccncc2)oc2c(F)cccc12 19565812 XZZJYSISYQRMKE-NSHDSACASA-N 298.317 3.766 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(F)c1 19934966 LMJMGJHLPULXOV-AWEZNQCLSA-N 285.362 3.506 0 40 CHAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1776009136 WBFSRPSXFWFRRG-IRXDYDNUSA-N 297.398 3.799 0 40 CHAB Cc1ccc(NC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1 254911797 PEFGLBUQBGPATL-MELADBBJSA-N 258.365 3.553 0 40 CHAB Cc1nc2ccccc2nc1NCC(C)(C)N1CCCCC1 30007858 DXDFPAIVMHBNQH-UHFFFAOYSA-N 298.434 3.615 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)CCc2ccccc2Cl)C1 40069703 JOUIEIACLFJSAZ-JSGCOSHPSA-N 279.811 3.968 0 40 CHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1 28327 ARZZKUPWTNDIOS-JWAFFJSPSA-N 281.355 3.586 0 40 CHAB biogenic COC(=O)c1cc(-c2ccccc2Oc2ccccc2)on1 1857794158 ZJXWQHDCKGVCKF-UHFFFAOYSA-N 295.294 3.921 0 40 CHAB CCN(C(=O)Nc1ccccc1OC)c1ccccc1 1606219 NWTVXVYAMRHPTD-UHFFFAOYSA-N 270.332 3.754 0 40 CHAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C=O 2650181 LIBKRSHIRUXDNP-UHFFFAOYSA-N 283.158 3.668 0 40 CHAB CC(=O)C(C(C)=O)[C@@H](Nc1ccccc1)c1ccccc1 3032961 AREZYANBNAEVPJ-SFHVURJKSA-N 281.355 3.634 0 40 CHAB O=C(O)[C@@H](Nc1cccc(Cl)c1)c1ccccc1 4253344 BNCQAJOGWSGDNU-ZDUSSCGKSA-N 261.708 3.578 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 104071093 XBXVJWLMSVDMJL-FMAWCIAYSA-N 269.388 3.641 0 40 CHAB O=C1OC(c2ccccc2)=N[C@@]12C[C@H]2c1ccc(Cl)cc1 356612 ASJFWVSQCXWGOU-WMLDXEAASA-N 297.741 3.570 0 40 CHAB O=C(NOCc1ccccc1)c1ccc2ccccc2c1 8096653 VDMGTLBRRQUTIJ-UHFFFAOYSA-N 277.323 3.701 0 40 CHAB O=C(c1ccc2ccccc2c1)[C@H](O)c1ccccc1 100368632 HOFPLNNWPICKCH-QGZVFWFLSA-N 262.308 3.756 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1ccncc1 32907363 BCLGRGDZMVOMGK-OAHLLOKOSA-N 285.322 3.590 0 40 CHAB O=C(Nc1ccc(Cl)cn1)C1(c2ccccc2)CCC1 41818202 LBPJLZMDNQCDOZ-UHFFFAOYSA-N 286.762 3.795 0 40 CHAB CCN(Cc1cccc(Cl)c1)Cc1c(C)noc1C 47958436 MOZSFCQFTPLWSH-UHFFFAOYSA-N 278.783 3.967 0 40 CHAB OC1[C@H]2C=C[C@H]1[C@H]1C3c4ccccc4C(c4ccccc43)[C@@H]21 104282849 MAPFTTZRFDJOEU-LWVWAVDNSA-N 286.374 3.687 0 40 CHAB CC(=O)n1nccc1[C@H](C)Oc1ccc(Cl)cc1Cl 1402531 UWNJDKMIBYZXJD-QMMMGPOBSA-N 299.157 3.990 0 40 CHAB C[C@H](NC(=O)Nc1cccc2cccnc12)c1cccnc1 43529503 KNDSVPQFMINCTB-LBPRGKRZSA-N 292.342 3.513 0 40 CHAB COc1c(C)cc(Br)cc1Br 1597573 AYOMUNYKNNGFSZ-UHFFFAOYSA-N 279.959 3.529 0 40 CHAB CCc1noc(C)c1C(=O)OCc1ccccc1Cl 57604039 GRFCROUENPKVOW-UHFFFAOYSA-N 279.723 3.556 0 40 CHAB CCc1ccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)s1 36392265 CGSLDVZPIBHIRA-NSHDSACASA-N 292.231 3.511 0 40 CHAB Cc1oc(C)c(C(=O)N[C@@H](C)c2cccs2)c1C 12889787 PAKHCBSJIQZCLK-VIFPVBQESA-N 263.362 3.757 0 40 CHAB CC(C)n1nccc1NC(=O)c1cc(Cl)ccc1F 12862929 KVMZUQPVRSEXBP-UHFFFAOYSA-N 281.718 3.509 0 40 CHAB C[C@@H](NC(=O)Cc1cccs1)c1cc2ccccc2o1 8237502 MPNNGZCZDQGBHB-LLVKDONJSA-N 285.368 3.914 0 40 CHAB CCCOc1cccc([C@@H](C)NC(=O)N[C@H](C)CC)c1 13745941 KBAIEACSPFXPMH-CHWSQXEVSA-N 278.396 3.634 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1cccc2ccccc12 6249972 GJXZWIBDWYWEHV-CYBMUJFWSA-N 253.345 3.854 0 40 CHAB CCCc1noc(CN[C@@H](C)c2ccccc2Cl)n1 65575468 ZUVXGAOHGJJZJN-JTQLQIEISA-N 279.771 3.526 0 40 CHAB COc1ccc(CNCc2ccc(Cl)cc2)cc1 6543392 GQNHILDWJKZSCN-UHFFFAOYSA-N 261.752 3.638 0 40 CHAB CCCCc1oc2ccccc2c1CN1CC[C@H](CO)C1 92763363 DXVWECIBUNQLQI-AWEZNQCLSA-N 287.403 3.590 0 40 CHAB Cc1n[nH]cc1CNC(C)(C)c1cccc(C(F)(F)F)c1 71793555 ROJVPKYPECPZTG-UHFFFAOYSA-N 297.324 3.762 0 40 CHAB C[C@H]1C=CCC(C)(C)[C@@H]1C(=O)C[C@@H](C)NCc1ccco1 72334036 HECRTIIJPYRXOR-VBQJREDUSA-N 289.419 3.955 0 40 CHAB CCCc1nnc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)s1 27794622 CCYHTJJSQDDHTQ-CMPLNLGQSA-N 293.436 3.668 0 40 CHAB CC(C)C(NC(=O)CSCc1ccccc1F)C(C)C 78582110 ORMBVLPQVKEUJX-UHFFFAOYSA-N 297.439 3.856 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](CC)Oc1cccc(C)c1C 20452571 MCVKXQHZGUQAKK-DZGCQCFKSA-N 277.408 3.766 0 40 CHAB Cc1cc(NC(C)(C)C)ncc1[C@@H](N)c1ccccc1 72223981 WBJQHVXETUCJGM-INIZCTEOSA-N 269.392 3.649 0 40 CHAB CCC/C(=C\C(=O)O)c1cc(Br)ccc1OC 36178605 ITWBDYGWCLVAEY-VQHVLOKHSA-N 299.164 3.726 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)C[C@H]1C=CCC1 32781359 CTKQAIMKTOPZCP-GXTWGEPZSA-N 275.417 3.940 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)C2CC2)cc1 79219123 UYXSWACHQABSDS-OLZOCXBDSA-N 274.408 3.750 0 40 CHAB Fc1ccc(C2(NCc3ccccc3)CCOCC2)cc1 78665153 ODYFYRGRHIMMCE-UHFFFAOYSA-N 285.362 3.621 0 40 CHAB Cc1cc(C)c(C(=O)N(C)Cc2ccccc2)cc1C 225638091 RUXRRLGNTQKPKU-UHFFFAOYSA-N 267.372 3.884 0 40 CHAB CCCCOc1cccc([C@H](C)NC[C@H]2CCCO2)c1 225167424 UGDAUCKIQJGURM-WMLDXEAASA-N 277.408 3.695 0 40 CHAB O=C(O)/C=C/c1c(F)cccc1Oc1ccccc1 83324659 ALHWHALMVWJNBB-MDZDMXLPSA-N 258.248 3.716 0 40 CHAB C[C@@]1(C2CC2)CC(=O)N(Cc2ccc(F)cc2Cl)C1 95512008 BDRFPAUPLPKEJV-OAHLLOKOSA-N 281.758 3.628 0 40 CHAB CC[C@@H](C)n1nccc1CNc1cn(CC(C)C)nc1C 256054941 YLEDEDJJANSHOZ-CYBMUJFWSA-N 289.427 3.627 0 40 CHAB c1ccc(Nc2cc(CC[C@@H]3CCCNC3)ccn2)cc1 257237506 HGVARBIECUUMPY-INIZCTEOSA-N 281.403 3.757 0 40 CHAB O=C(O)C(F)(F)c1cc2cc(Cl)ccc2s1 575444854 XTCYFLPDMBABRN-UHFFFAOYSA-N 262.664 3.731 0 40 CHAB C[C@@H](Nc1ncnc2sccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102262700 RCRRNGYGLILANJ-BLFANLJRSA-N 273.405 3.928 0 40 CHAB O[C@@H](Cc1nc2ccccc2o1)c1ccc(Cl)cc1 1276116 PTERJSHIDICYIX-ZDUSSCGKSA-N 273.719 3.757 0 40 CHAB CCCCCNC(=O)COc1ccccc1C(C)(C)C 5418578 NAEANOITRYQWAN-UHFFFAOYSA-N 277.408 3.669 0 40 CHAB Cc1cccc(NC(=O)c2oc3ccccc3c2N)c1 12062680 LRCFICBSGDIFSS-UHFFFAOYSA-N 266.300 3.576 0 40 CHAB CCCCc1n[nH]c(=S)n1Cc1ccc(C)cc1 13597543 GPLHSHCRBSOULM-UHFFFAOYSA-N 261.394 3.640 0 40 CHAB COc1c(C)cccc1C(=O)Nc1ccccc1Cl 14258222 ZGBGXLHVAIOPPB-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1[C@@H](C)CCC[C@@H]1C 17009342 MOAYJGSEGKYGEV-STQMWFEESA-N 284.403 3.922 0 40 CHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCCCC4)cc3c2C1 17305554 FPJGPWAXERGPQC-CYBMUJFWSA-N 296.414 3.919 0 40 CHAB Cc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C 19214036 JLCGMILHMHLZPV-RBUKOAKNSA-N 299.389 3.715 0 40 CHAB Cc1ccc(N)cc1NC(=O)c1cc2ccccc2o1 19487221 MYVDUGCYGMMIID-UHFFFAOYSA-N 266.300 3.576 0 40 CHAB O=C(O)/C(=C\c1c[nH]c2ccccc12)c1cccs1 6243768 MXEFHZJDJRWGMY-WQLSENKSSA-N 269.325 3.855 0 40 CHAB CC[C@H](C)[C@@H](C(=O)OCCN(CC)CC)c1ccccc1 1649108 LKQUJKDIEHGPLY-DOTOQJQBSA-N 291.435 3.701 0 40 CHAB C[C@H](Nc1nnc(C(C)(C)C)s1)c1cccc(O)c1 153409443 NROYRLPIHPAKPJ-VIFPVBQESA-N 277.393 3.714 0 40 CHAB O=C(NCc1ccc(C2CC2)nc1)c1ccccc1Cl 585150147 HSHODGQSMOSCRQ-UHFFFAOYSA-N 286.762 3.542 0 40 CHAB Cc1ccc(F)c(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 40099197 FJMVPMZTCUCDCJ-NSHDSACASA-N 276.311 3.918 0 40 CHAB c1ccc2c(N3CCCCC3)nnc(N3CCCCC3)c2c1 90221 YLRRRHGLFHADEI-UHFFFAOYSA-N 296.418 3.610 0 40 CHAB Cc1ccnc(SCc2ccccc2Cl)n1 574230 YJHCHGUXXNYTBV-UHFFFAOYSA-N 250.754 3.731 0 40 CHAB Cc1cc(=O)oc(C)c1C(=O)Oc1ccc2ccccc2c1 1667289 ASZBRJBJJVINSZ-UHFFFAOYSA-N 294.306 3.629 0 40 CHAB O=C(COc1cccc(Cl)c1)Nc1ccc(F)c(F)c1 3516024 UWJAXVQPJWSIDQ-UHFFFAOYSA-N 297.688 3.636 0 40 CHAB Cc1ccc2cc(CNC3CCCCC3)c(=O)[nH]c2c1C 4130488 YWKKNGZQULGQMX-UHFFFAOYSA-N 284.403 3.567 0 40 CHAB COc1ccc2nc(Cl)c(CNC3CCCC3)cc2c1 4436372 IGLSEDAKZNSEGN-UHFFFAOYSA-N 290.794 3.929 0 40 CHAB O=C(OC1CCCCC1)c1ccc(Br)cc1 362889 XCSPVCCMBFLCQT-UHFFFAOYSA-N 283.165 3.939 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 8496278 DICBLDJUJUHAFB-NSHDSACASA-N 291.297 3.679 0 40 CHAB CN(CCOc1ccc(Cl)cc1)Cc1ccccc1 8752936 UDMXNAGERXSOIB-UHFFFAOYSA-N 275.779 3.851 0 40 CHAB O=S(=O)(C1=C[C@H]2C[C@H]1C1=C2[C@@H]2CC[C@@H]1C2)c1ccccc1 104292900 GAWUOEBTRWCIMM-RGCMKSIDSA-N 298.407 3.720 0 40 CHAB Cc1ccc([C@@H]2NC(=O)NC3=C2CCc2ccccc23)cc1 9109201 JCEPOUFXZCBVLC-KRWDZBQOSA-N 290.366 3.706 0 40 CHAB N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 22562895 DKVHEFKXNOALTI-CQSZACIVSA-N 299.267 3.923 0 40 CHAB in-vitro Cc1ccc([C@@H](C)NC(=O)CCn2ccc3ccccc32)o1 23306816 OBGNKHKECXZIBO-CQSZACIVSA-N 296.370 3.810 0 40 CHAB O=C(Nc1nc2ccccc2s1)[C@H]1C[C@@H]2CC[C@@H]1C2 100335174 XFJCAJSVGYJLDR-MXWKQRLJSA-N 272.373 3.671 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccs1)CC3 25543505 MFAGISPDIRGREV-UHFFFAOYSA-N 296.395 3.736 0 40 CHAB CCCCCNC(=O)c1ccccc1C(F)(F)F 28210675 DJXYKGOYQXUTLV-UHFFFAOYSA-N 259.271 3.625 0 40 CHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N(Cc1cccs1)C1CC1 107489703 HQJCOABFGVOYEV-SLEUVZQESA-N 275.417 3.675 0 40 CHAB Cc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 44253138 KABLMVQMBNCMEB-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB CC[C@H](C)NC(=O)c1ccc(N(C)C2CCCCC2)cc1 58156159 TYVJUUCSKMNUIA-AWEZNQCLSA-N 288.435 3.984 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc(F)c1 3231489 QLTWBFHDVRDEQM-WTNCMQEWSA-N 281.330 3.817 0 40 CHAB c1ccc2[nH]c(CSc3ccc4c(c3)OCCO4)nc2c1 48300616 WVDYKEHPTCCOAZ-UHFFFAOYSA-N 298.367 3.626 0 40 CHAB O=C(Nc1cccc2c1CCCC2)[C@@H]1CC=CCC1 13007405 ASOGISFIDVSBFA-CQSZACIVSA-N 255.361 3.860 0 40 CHAB S=c1[nH]nc(-c2c[nH]c3ccccc23)n1Cc1ccco1 4206938 PJGKCLZIXFCNJL-UHFFFAOYSA-N 296.355 3.730 0 40 CHAB COc1ccc(NC(=O)c2c(F)cccc2F)cc1Cl 6303225 GGYUOCGSOVGGQM-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB O=C(c1ccco1)N(Cc1ccccc1)c1ccccn1 5338327 QTHFVDKAGVUYRR-UHFFFAOYSA-N 278.311 3.522 0 40 CHAB CCCSc1nnc(Nc2ccccc2F)s1 6784858 ZMVNHYAVIGVREA-UHFFFAOYSA-N 269.370 3.923 0 40 CHAB Cc1ccc(C(=O)Nc2nccc(-c3cccs3)n2)cc1 5794132 FVTGLNWXLAYOKW-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C(Nc1nccs1)c1ccc2c(c1)-c1ccccc1C2 9252878 JNWOTZRUTBPZEB-UHFFFAOYSA-N 292.363 3.967 0 40 CHAB Cc1ccn2c(CC(=O)O)c(-c3ccc(C)c(C)c3)nc2c1 19623999 YJOBVAQBWFMPRU-UHFFFAOYSA-N 294.354 3.554 0 40 CHAB CC(C)CN1CCC(N[C@H](C)CCc2ccccc2)CC1 89840165 GVFSLAQQVWQFPJ-QGZVFWFLSA-N 288.479 3.718 0 40 CHAB Cc1ccccc1CSCC(=O)N1CCCCCC1 20237673 LCOCENKIATXXRK-UHFFFAOYSA-N 277.433 3.631 0 40 CHAB c1ccc([C@@H]2CCCN(Cc3ccncc3)CC2)cc1 78802056 IKXXGMWCCBIECA-GOSISDBHSA-N 266.388 3.851 0 40 CHAB CCCOc1cccc(C(=O)Nc2c(C)cc(C)cc2N)c1 70462859 CXMGVZRXEXDZSX-UHFFFAOYSA-N 298.386 3.927 0 40 CHAB CCCN1CCCC[C@H]1c1cccnc1Br 72211628 QNCXWXVXXWABRY-LBPRGKRZSA-N 283.213 3.781 0 40 CHAB O=C1Cc2cc(O)ccc2N1c1c(Cl)cccc1Cl 71613961 RPECVEMYMBMRRZ-UHFFFAOYSA-N 294.137 3.920 0 40 CHAB Cc1ccc(C)c(C(=O)c2ccc(C3OCCO3)cc2)c1 43212651 SZZPMOYGUSSEQW-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB COc1cc(SC)ccc1NC(=O)[C@H]1CC=CCC1 192712925 UPAAPIOIWOFBGT-NSHDSACASA-N 277.389 3.712 0 40 CHAB Cc1cc(C)c(NC(=O)NCc2scnc2C)c(C)c1 89568801 UMXDOCVMYTUFNH-UHFFFAOYSA-N 289.404 3.698 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)C(C)C 225216661 ZBIKAGZTTCKHOA-AAEUAGOBSA-N 283.799 3.658 0 40 CHAB CCCOc1c(C(=O)O)oc2ccc(Cl)cc12 96510830 GSOIFXGZRIFKMS-UHFFFAOYSA-N 254.669 3.573 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCC(=C2CC2)CC1 238844600 IBVAAOUFIXEASF-UHFFFAOYSA-N 260.312 3.544 0 40 CHAB CC/N=c1/scc(-c2ccc(Cl)cc2)n1CC 388805 CLCGZCCAOJUNPT-FYWRMAATSA-N 266.797 3.811 0 40 CHAB C(=C\c1nc2ccccc2o1)\c1ccc2c(c1)OCO2 5188902 DPSXZXQPFAYPNZ-VURMDHGXSA-N 265.268 3.727 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccoc1 12776744 VKSCQJAUFZJGTG-UHFFFAOYSA-N 255.195 3.551 0 40 CHAB Cc1nnc(SCc2ccccc2Cl)s1 5669908 BYDWTZUXRWFNEE-UHFFFAOYSA-N 256.783 3.792 0 40 CHAB OCc1cccc(OCc2cccc3ccccc23)c1 20031823 INYVRMARTSJXBB-UHFFFAOYSA-N 264.324 3.911 0 40 CHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 7898964 ABBRUGCDEWRNHW-UHFFFAOYSA-N 275.735 3.626 0 40 CHAB CCCSc1nnc2c3ccccc3n(CCC)c2n1 2188983 BQUTUERHMNLBAR-UHFFFAOYSA-N 286.404 3.892 0 40 CHAB O=C(/C=C/c1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 4523968 GSSXOQYSFJCOMR-VWRYRLPPSA-N 275.779 3.658 0 40 CHAB O=C(Nc1ccccc1)N1CCC[C@H]2CCCC[C@H]21 4035692 FRVNIRTZJJDUDP-UKRRQHHQSA-N 258.365 3.873 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)CC1CCCC1 40160458 OCFAMVUKYJQIFV-AWEZNQCLSA-N 259.393 3.704 0 40 CHAB O=C1Nc2ccc(Br)cc2C12CCCCC2 40448519 MOCOBMQLHAVEMT-UHFFFAOYSA-N 280.165 3.603 0 40 CHAB C[C@@H](Sc1ncnc2[nH]cnc12)c1ccccc1Cl 60953 GSZRSLVADRWWAP-MRVPVSSYSA-N 290.779 3.860 0 40 CHAB c1nc(N2CC[C@@H]3CCCC[C@@H]3C2)c2sccc2n1 28619964 WGDCDQFDPIRWKE-NWDGAFQWSA-N 273.405 3.708 0 40 CHAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cc2ccccc2)C1 801988 NUSSVXFEPJRVRI-CRAIPNDOSA-N 271.404 3.656 0 40 CHAB O=C(c1cccc(CN2CCC2)c1)C1CCCCC1 2515151 VLKSEYJODVFVLI-UHFFFAOYSA-N 257.377 3.655 0 40 CHAB Cc1nc2ccc(-[n+]3c(C)csc3C)cc2s1 6072112 JRPBVNJLRDBUQL-UHFFFAOYSA-N 261.395 3.560 0 40 CHAB OC1(c2ccccc2)c2ccccc2Cc2ccccc21 4918909 XOAAOGNCXGUBPD-UHFFFAOYSA-N 272.347 3.875 0 40 CHAB Cc1nn([C@@H](C)CC(=O)N[C@@H](C)c2ccccc2)c(C)c1C 4993458 XSFVPXYJGPTCHY-WFASDCNBSA-N 299.418 3.637 0 40 CHAB COc1cc(-c2cccn2C)c(OC)cc1-c1cccn1C 343208 IWYAJCXBZIEXMB-UHFFFAOYSA-N 296.370 3.715 0 40 CHAB C/N=c1/oc2ccccc2cc1-c1nc2ccccc2[nH]1 492876 JIZCGGUEDVXMMA-ISLYRVAYSA-N 275.311 3.507 0 40 CHAB CC[C@@H](C)c1ccc(OCC[C@@H]2CCCNC2)cc1 42773215 QRBPPUWAVHFXJH-CABCVRRESA-N 261.409 3.969 0 40 CHAB Cc1cc(F)ccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 105925003 HSXVKRQMHHYFOB-RWMBFGLXSA-N 261.340 3.899 0 40 CHAB O=C(O)c1cn(Cc2cc(F)ccc2F)c2ccccc12 43458907 DPSSVDMCLZYXSB-UHFFFAOYSA-N 287.265 3.666 0 40 CHAB COc1cccc(C(=O)OC/C=C/c2ccccc2)c1 2069611 METVTHQGDODIKA-RMKNXTFCSA-N 268.312 3.565 0 40 CHAB Cc1ccc(F)c(NC(=O)Cc2c[nH]c3ccccc23)c1 10216121 PWJODVIRGIRKGP-UHFFFAOYSA-N 282.318 3.797 0 40 CHAB C[C@H](NC(=O)Nc1nc2ccccc2s1)c1cccnc1 10262240 RSGFGVZKMKHRIP-JTQLQIEISA-N 298.371 3.574 0 40 CHAB CCCCc1ccc(C(=O)c2cc(C)ccn2)cc1 45028619 UITCCYHQESETAJ-UHFFFAOYSA-N 253.345 3.964 0 40 CHAB Clc1ccc(-c2csc(-c3cnccn3)n2)cc1 48367203 JWOHIIIIFSGOIW-UHFFFAOYSA-N 273.748 3.921 0 40 CHAB c1csc([C@@H]2NN=C3c4ccccc4CSC[C@@H]32)c1 4085346 IMAXBRYGRNQHGC-SWLSCSKDSA-N 286.425 3.660 0 40 CHAB CC(C)CC[C@H](CC(=O)NCc1cccnc1)C(C)C 13689108 CLPVSONTOFXLHY-MRXNPFEDSA-N 276.424 3.796 0 40 CHAB CCOc1ccc(CNCCc2c[nH]c3ccccc23)cc1 5019939 LJZOLUCGMMXPBY-UHFFFAOYSA-N 294.398 3.899 0 40 CHAB Cc1ccc(CN(C)Cc2ncc(C(C)(C)C)o2)o1 69625565 DMFUZVVZQVVVSS-UHFFFAOYSA-N 262.353 3.506 0 40 CHAB CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc2ccccc12 13746377 JRHMYBCSGUILSG-OLZOCXBDSA-N 270.376 3.999 0 40 CHAB CCc1cccc(CC)c1NC(=O)c1ccoc1C 6125574 UDPKTDIFGWIMEZ-UHFFFAOYSA-N 257.333 3.965 0 40 CHAB Fc1ccc(Oc2ccncc2)c(Br)c1 19428234 SJVJOTCFTZGJQG-UHFFFAOYSA-N 268.085 3.776 0 40 CHAB in-vitro COc1ccc2oc(C(=O)c3ccc(F)cc3)cc2c1 6939388 OXDDMPIOFDFGQC-UHFFFAOYSA-N 270.259 3.812 0 40 CHAB CC(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 67172004 YAXCUZRSNUQTGL-UHFFFAOYSA-N 258.148 3.504 0 40 CHAB in-vitro CCOC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 7069576 AZLAHLBKQSHKGQ-UHFFFAOYSA-N 284.315 3.507 0 40 CHAB CC[C@@H](C)NC(=O)Cc1sc(C)nc1-c1cccs1 15840043 MENSKRQOZOSXQN-SECBINFHSA-N 294.445 3.637 0 40 CHAB CCCC[C@H](CC)C(=O)NCCc1cccs1 71415913 YSEVKJCLZXAMII-LBPRGKRZSA-N 253.411 3.623 0 40 CHAB CCCOc1ccccc1C(=O)Nc1cccc(N)c1C 19736323 CSIRJCWSZDPMOK-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB CC(C)CNC(=O)c1cc2cc(Br)ccc2o1 28250061 HTSPHXJAWJEUTL-UHFFFAOYSA-N 296.164 3.581 0 40 CHAB CCc1ccccc1NC(=O)Nc1ccc(NC(C)=O)cc1 72282507 IRPVSSMEGNZICS-UHFFFAOYSA-N 297.358 3.851 0 40 CHAB COc1cccc(C(=O)COc2cccc3cccnc23)c1 28047721 MTAGZCUKUFQVIE-UHFFFAOYSA-N 293.322 3.505 0 40 CHAB CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2F)C1 76093251 DVFKFQVQRKBJBX-GOSISDBHSA-N 298.405 3.532 0 40 CHAB CC(C)c1ncc(C(=O)O[C@@H](C)c2ccccn2)s1 95430943 RWWOTKBKQGFLAC-JTQLQIEISA-N 276.361 3.580 0 40 CHAB C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)CCc1ccco1 75145804 LIILRSNQPZLPQT-OCCSQVGLSA-N 289.400 3.678 0 40 CHAB CC(=O)Nc1nc(C)c(Cc2ccccc2Cl)s1 36639158 AJFAOFFBIZNJOI-UHFFFAOYSA-N 280.780 3.654 0 40 CHAB Clc1nc([C@H]2CCCO2)nc2c1oc1ccccc12 217685539 HELRCJRWESLSOG-SNVBAGLBSA-N 274.707 3.881 0 40 CHAB CN1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72348553 QQFZQZVZFZVBAY-AWEZNQCLSA-N 270.351 3.697 0 40 CHAB Cc1ccc(-c2cc(-c3ccco3)nc(N)n2)c(C)c1 71977961 VBLRRHUJEMDXCD-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB C[C@@H]1Cc2c(ccc3cc(Br)ccc23)O1 35940670 BQIZRGYEADKTFP-MRVPVSSYSA-N 263.134 3.926 0 40 CHAB CC(C)(C)c1cc(SCC(N)=O)cc(C(C)(C)C)c1O 39432300 ARSAEDZUMJVLOA-UHFFFAOYSA-N 295.448 3.565 0 40 CHAB CC(=O)N1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217595 DVCMIHHYKZDWMN-INIZCTEOSA-N 298.411 3.916 0 40 CHAB CCOc1cccc(CNC(=O)Cc2ccc(CC)cc2)c1 223932362 SOPOEFWNEUXLBG-UHFFFAOYSA-N 297.398 3.507 0 40 CHAB O=C(O)[C@@H](Cc1cccc2ccccc12)Oc1ccccc1 225047544 AXRHJKBDSWBNJT-GOSISDBHSA-N 292.334 3.915 0 40 CHAB Cc1ccc(CSCC(=O)NCC2=CCCCC2)cc1 223398862 PYIZZRVUOKMLFF-UHFFFAOYSA-N 289.444 3.845 0 40 CHAB COc1cccc(CN[C@@H](C)[C@@H](C)c2ccccc2)c1OC 80247748 RRJJZCOOJGQJRE-CABCVRRESA-N 299.414 3.986 0 40 CHAB C[C@H]1CC(=O)c2cnn(-c3cc(Cl)ccc3Cl)c2C1 199727305 HUDHULCAFVTBNT-MRVPVSSYSA-N 295.169 3.944 0 40 CHAB C[C@@H]1CC[C@H]1COc1ccc(Br)cc1 96526386 QIKCTGBVJVCOQP-ZJUUUORDSA-N 255.155 3.874 0 40 CHAB Cc1cc(C=O)cc(C)c1OC(=O)c1cccc(Cl)c1 256053974 UKEBODCCQKKIQD-UHFFFAOYSA-N 288.730 3.989 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)N1CCCCC1 1590766 OZPNEFQMJSCJSR-UHFFFAOYSA-N 252.745 3.666 0 40 CHAB Cc1c(-c2ccccc2)c(=O)oc2ccc(F)cc12 2243263 YDMJHHMAJSWOMC-UHFFFAOYSA-N 254.260 3.908 0 40 CHAB COc1ccc2c(c1)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 5004471 WEGOBZDECLEAOK-BPQIPLTHSA-N 288.387 3.790 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2)c(OC)c1 5526752 CFFACCKCRJFEHF-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB FC(F)(F)c1ccc(NC(=S)Nc2ccccn2)cc1 17024211 LPCGGMZOGBCSMA-UHFFFAOYSA-N 297.305 3.909 0 40 CHAB CCc1cc(N)cc(Cl)c1N1CCC[C@@H](C)C1 226315455 GACBSWGKCJXQSX-SNVBAGLBSA-N 252.789 3.721 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)CCC(=O)c1ccccc1 30996657 KSMSRQVWBLUKMK-AWEZNQCLSA-N 293.366 3.627 0 40 CHAB CC/N=c1/scc(-c2ccc(OCC)cc2)n1CC 100053183 JWFHVXUOAKKKKU-FOCLMDBBSA-N 276.405 3.556 0 40 CHAB CN1CCC(=C2c3ccccc3Oc3ncccc32)CC1 978 ALIOEEFZPKWPAV-UHFFFAOYSA-N 278.355 3.715 0 40 CHAB in-man O=c1[nH]cnc2scc(-c3ccc4c(c3)CCCC4)c12 151389 IDRDXPHAEQLZCP-UHFFFAOYSA-N 282.368 3.530 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)CNc1ccccc1)C2 502375 VWXHTADNWYJLIR-DHSIGJKJSA-N 287.403 3.857 0 40 CHAB CN(C)c1ccc(Br)c2ccccc12 2577037 CWPDFSZHOZTGQW-UHFFFAOYSA-N 250.139 3.668 0 40 CHAB CC(C)[C@@H](CNCc1ccc(Cl)c(Cl)c1)N(C)C 20547904 IWSCGDKRPZIJCK-CQSZACIVSA-N 289.250 3.669 0 40 CHAB in-vitro Fc1ccccc1CCNc1nc(-c2ccccc2)no1 32826131 GGXDOQOSPSIZCP-UHFFFAOYSA-N 283.306 3.530 0 40 CHAB CCOC(=O)c1[nH]c2ccc(Br)cc2c1CC 553046 UPGHWWOAZTWUKN-UHFFFAOYSA-N 296.164 3.670 0 40 CHAB CCCc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 7942976 AGQUFEBCSCPJBI-UHFFFAOYSA-N 279.343 3.768 0 40 CHAB O=C(NC1CCCCC1)c1csc2c1CCCC2 2759792 OYEZPHDTPBAARE-UHFFFAOYSA-N 263.406 3.689 0 40 CHAB C[C@@H](O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 34619494 ZZKVEFYFXLIAQY-SJKOYZFVSA-N 285.774 3.919 0 40 CHAB CCSc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100443233 KCUBVSXBUKTQJA-BZPMIXESSA-N 275.417 3.717 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)NC(C(C)C)C(C)C 113954916 ACCYPGPBHYRRNC-AWEZNQCLSA-N 291.435 3.813 0 40 CHAB Cc1ccnc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1 10430620 GKNHOQRUALWNGJ-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB Fc1ccc(-c2nnc(NCc3ccccc3)s2)cc1 28244162 KEFLKTGECACSGY-UHFFFAOYSA-N 285.347 3.956 0 40 CHAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1cccs1 12729650 KPRDIZQVKGOXAP-SECBINFHSA-N 295.791 3.901 0 40 CHAB CCOc1cc2c(cc1NC(=O)CC(C)(C)C)O[C@@H](C)C2 12910017 JPYBCZXYKCGTDJ-NSHDSACASA-N 291.391 3.783 0 40 CHAB CC[C@H](CCNCc1ccc(C)o1)NCc1ccc(C)o1 8481608 DLQMXCFABCMHSV-OAHLLOKOSA-N 290.407 3.538 0 40 CHAB Clc1ccc(-c2nc(CCc3ccccc3)n[nH]2)cc1 8381159 YRWVZODYJOQDCH-UHFFFAOYSA-N 283.762 3.910 0 40 CHAB CSCc1nnc(S[C@H](C)c2ccc(F)cc2)o1 65576558 KPSSRTRDZSTQEH-MRVPVSSYSA-N 284.381 3.925 0 40 CHAB CCCc1c(C)[nH]c2ccc(Br)cc2c1=O 8926449 PKWCSGIFKDUSFR-UHFFFAOYSA-N 280.165 3.552 0 40 CHAB Cc1cccc(-n2ccnc2SCc2cc(C)no2)c1 89686196 BDDMAACHCGDIMD-UHFFFAOYSA-N 285.372 3.769 0 40 CHAB FC(F)c1ccc(Cl)c(I)c1 71793124 QWPXJVKRVSKDPE-UHFFFAOYSA-N 288.462 3.882 0 40 CHAB COc1cccnc1NC(=O)c1ccc(Cl)cc1Cl 71850290 HIPFZRCHRNNIAD-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB Clc1ccc([C@@H](NC2CCCCC2)c2ncon2)cc1 95988538 CERNXHONECVQEG-CQSZACIVSA-N 291.782 3.735 0 40 CHAB CC1(CNC(=O)Cc2ccc(Cl)c(Cl)c2)CCC1 75105504 OEWHRQGHPBGLIS-UHFFFAOYSA-N 286.202 3.842 0 40 CHAB COC(=O)c1c(/C=C/c2ccccc2)cccc1OC 35973530 MQHCALNFDXNEOW-VAWYXSNFSA-N 268.312 3.652 0 40 CHAB Cc1nc(Cl)ccc1[C@@H]1CCCN1CC(C)C 72217903 PXAMAPUTXROFOZ-ZDUSSCGKSA-N 252.789 3.836 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCO3)c(C)c1 32610950 VUKSEWMOIJIUPO-CYBMUJFWSA-N 297.354 3.523 0 40 CHAB CCCc1nn(-c2cccc(Cl)c2)c(Cl)c1C=O 37326880 VFTNFQNPLZQTJX-UHFFFAOYSA-N 283.158 3.944 0 40 CHAB c1ccc(Oc2ccc([C@H]3CCCCN3)cn2)cc1 72212152 LPMDCCWZEGVRIN-OAHLLOKOSA-N 254.333 3.689 0 40 CHAB Cc1cccc(OCC(=O)N(Cc2ccccc2)C(C)C)c1 75402865 KDPDIXGFYACFKF-UHFFFAOYSA-N 297.398 3.811 0 40 CHAB CCCCN1CCC[C@H]1c1cnc(Cl)cc1C 72217846 XLJFJBKWYUYPCV-ZDUSSCGKSA-N 252.789 3.980 0 40 CHAB CCCC1CC(CN)(c2ccc(Br)cc2)C1 83175899 COVPMAXAAVUKHD-UHFFFAOYSA-N 282.225 3.856 0 40 CHAB Cc1ccc(-c2cc(C(F)(F)F)c(CN)cn2)cc1 89263247 MZWBCFKTVDIESL-UHFFFAOYSA-N 266.266 3.535 0 40 CHAB C[C@@H]1CCCCN1c1cc(N)cc(C(F)(F)F)c1 228920310 GYUZYLQPQHXBPE-SECBINFHSA-N 258.287 3.666 0 40 CHAB CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 225785671 UQCMNZLPOBTEJQ-WDMOLILDSA-N 293.794 3.657 0 40 CHAB COc1ccc(C(=O)C(F)(F)F)cc1OCCC(C)C 95732815 TVMVUBSEYFFYBB-UHFFFAOYSA-N 290.281 3.865 0 40 CHAB Cc1ccsc1CN1CCCC[C@@H]1c1ccncn1 257253036 JXIOJOIJGYNWRD-CQSZACIVSA-N 273.405 3.574 0 40 CHAB O=C(N[C@H]1C[C@@H]1c1ccccc1Cl)c1cc(Cl)c[nH]1 585125644 UFVKUPMLNXLRNO-PWSUYJOCSA-N 295.169 3.607 0 40 CHAB CCOc1ccc2nc(C(F)(F)F)c(CC)c(O)c2c1 685937967 DQTZLCDCOIMISI-UHFFFAOYSA-N 285.265 3.920 0 40 CHAB O=C(c1ccc(C(F)(F)F)cc1)C(F)(F)Cl 163993476 WBVGLTKPGOAODO-UHFFFAOYSA-N 258.573 3.720 0 40 CHAB Cc1ccc(C)c(-n2c(S)nnc2-c2ccc(O)cc2)c1 13533938 IFTPDDRLOWBJGY-UHFFFAOYSA-N 297.383 3.545 0 40 CHAB O[C@H](c1cccc(Cl)c1)c1ccc(F)c(F)c1 4242371 FUVPHDMMCAQTNN-CYBMUJFWSA-N 254.663 3.700 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(F)cc(F)c1 3458186 ZYRLILUCYRPCPA-MRXNPFEDSA-N 287.309 3.772 0 40 CHAB CCCC[C@H](CC)CNC(=O)NC1CCCCC1 6043098 XPUUQWDBQWCCFH-ZDUSSCGKSA-N 254.418 3.835 0 40 CHAB Cc1ccc([C@@H](NC(=O)C2CC2)c2cccs2)cc1 13022640 RNQWEVFDGAMPJJ-OAHLLOKOSA-N 271.385 3.672 0 40 CHAB CSc1ccc([C@H](C)NC(=O)c2ccccc2)cc1 31694729 JYOFTBLIIXTAQN-LBPRGKRZSA-N 271.385 3.900 0 40 CHAB CCn1/c(=N\C(=O)C(C)(C)C)sc2cccc(Cl)c21 12180926 HBERFIDCXQNDDI-DTQAZKPQSA-N 296.823 3.850 0 40 CHAB CC(C)c1ccccc1C(=O)C(F)(F)Br 382672606 BMAFDKHIBBSISA-UHFFFAOYSA-N 277.108 3.980 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccccn1 72210995 QGNMNJZMYZAXDJ-ZDUSSCGKSA-N 262.353 3.544 0 40 CHAB Cc1ccc(C(=O)C(=O)N2CCCCc3ccccc32)cc1 40133916 QRPFDJFTKYYQFK-UHFFFAOYSA-N 293.366 3.547 0 40 CHAB CC(C)c1nnc(NC(=O)c2cccc(Cl)c2)s1 187527 UZISYXOIJNKVHT-UHFFFAOYSA-N 281.768 3.567 0 40 CHAB Cc1csc(CNC(=O)Nc2ccc(F)cc2Cl)n1 40525853 CFLYEWSBYPZKRH-UHFFFAOYSA-N 299.758 3.566 0 40 CHAB Cc1cccc(C)c1NC(=S)N1CCn2cccc2[C@@H]1C 16310289 NJJMLGZHRCLPNI-AWEZNQCLSA-N 299.443 3.879 0 40 CHAB COc1ccc(NC(=O)OCc2cnc(Cl)s2)cc1 1390091 VSGOWUWFIXTQFD-UHFFFAOYSA-N 298.751 3.554 0 40 CHAB CC[C@@H](O)C(CCN(C)C)(c1ccccc1)c1ccccc1 1681952 WKQWJEXZFBJISX-LJQANCHMSA-N 297.442 3.695 0 40 CHAB CN[C@H](C)Cc1ccccc1Sc1ccc(O)cc1 347802 YNTKLVYGQBWKPR-GFCCVEGCSA-N 273.401 3.694 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 7958947 SGRJJCMKCBUCHE-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB Cc1cccc(CCCNC(=O)/C=C/c2ccccc2)c1 10110609 UNNZFEHEMMSDEH-OUKQBFOZSA-N 279.383 3.757 0 40 CHAB Cc1ccc(CCC(=O)NCCC2=CCCCC2)cc1 10434281 QEELQGGFSQWZAE-UHFFFAOYSA-N 271.404 3.934 0 40 CHAB O=C(NCCc1ccc(F)cc1)N1CC[C@H]1c1ccccc1 32927915 CXUADDRSEPQUPJ-KRWDZBQOSA-N 298.361 3.525 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1cccnc1 24781184 DNYSWCUOJZPLCM-HNNXBMFYSA-N 285.322 3.590 0 40 CHAB O=C1Nc2ccc(Cl)cc2/C1=C/c1cccc(F)c1 33367039 WSSLDALRZFJOJZ-QPEQYQDCSA-N 273.694 3.972 0 40 CHAB CCN(C(=O)c1cccc(N(C)C)c1)c1ccccc1C 58638311 PAQYWQRRGIIKAX-UHFFFAOYSA-N 282.387 3.728 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)N1CCc2ccccc2C1 20238426 VYDPWAVFUQOJJL-CQSZACIVSA-N 297.423 3.752 0 40 CHAB COc1ncccc1NC(=O)c1cc(Cl)ccc1Cl 47554003 BBCQBJWMRDYBNT-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB Cc1nnc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)o1 110707851 VYBVYCGCVRXPCB-ZDBHGNHJSA-N 291.782 3.518 0 40 CHAB CC[C@@H](C)C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28221238 SZOJWICQYZRRIJ-ZIAGYGMSSA-N 270.376 3.701 0 40 CHAB CC(C)[C@H](N)c1nnc(SC/C=C/c2ccccc2)o1 1809109 PXYWIIFSGFIJAO-PPGNKHEKSA-N 289.404 3.531 0 40 CHAB Cc1cc(F)cc(C(=O)C(Cl)(Cl)Cl)c1 307216860 BVJBZEOAWFKIRK-UHFFFAOYSA-N 255.503 3.687 0 40 CHAB Cc1cc(C)c2c(C)c(C(=O)NCc3cccnc3)oc2c1 16742375 NJWVGNLNPPIAHD-UHFFFAOYSA-N 294.354 3.683 0 40 CHAB CC(C)(C)OC(=O)c1ccc(-c2ccc(CN)cc2)cc1 117316773 SBAOFNIOCYNIKA-UHFFFAOYSA-N 283.371 3.768 0 40 CHAB COc1ccc(C)cc1NC(=O)Nc1ccc(F)c(F)c1 17022819 COPXZVCJKBJAIZ-UHFFFAOYSA-N 292.285 3.926 0 40 CHAB Cc1ccc(C)c(OCc2nc(-c3ccccc3)no2)c1 6203898 SEIOOLNQDGXRQN-UHFFFAOYSA-N 280.327 3.932 0 40 CHAB COCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 13945877 OWNPQYPUEZJENF-UHFFFAOYSA-N 279.767 3.644 0 40 CHAB CN(C)c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 5346569 ZSTJRFBXYMXFJH-UHFFFAOYSA-N 297.333 3.625 0 40 CHAB Cc1sc2c(c1C)C(=O)N[C@@H](c1c[nH]c3ccccc13)N2 4501927 MSOPUCWJXVXMCV-CQSZACIVSA-N 297.383 3.700 0 40 CHAB Cc1cc(C)cc(NC(=O)c2sc(C)nc2C)c1 6767526 HTDOXLCPSDNBPP-UHFFFAOYSA-N 260.362 3.629 0 40 CHAB CCCCCCOc1ccccc1CNC[C@H]1CCCO1 19737902 PXLSEKFYYRXMSB-QGZVFWFLSA-N 291.435 3.914 0 40 CHAB C[C@@H](NCCc1cccc2cccnc12)c1cncc(F)c1 89904611 FZYSQXYTGPFRMB-CYBMUJFWSA-N 295.361 3.662 0 40 CHAB C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)NC1CC1 75134253 HQIZOKSHBJCOCX-CQSZACIVSA-N 295.386 3.517 0 40 CHAB Nc1nc(-c2ccccc2)cc(-c2cccc(F)c2)n1 62710372 XVAJZUXWLZLYSA-UHFFFAOYSA-N 265.291 3.532 0 40 CHAB CC(=O)c1csc2cc(Br)ccc12 113967279 GRDFOBOULLNZGI-UHFFFAOYSA-N 255.136 3.866 0 40 CHAB Cc1cc(NC(C)(C)C)ncc1[C@H](O)c1ccccc1 72223974 DHILGEVGYFVLSZ-MRXNPFEDSA-N 270.376 3.682 0 40 CHAB COc1ccc(OCc2ccc(Cl)cc2)c(C=O)c1 37021995 IZWVAVSKUJMBOJ-UHFFFAOYSA-N 276.719 3.740 0 40 CHAB CCN1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 72219177 GNGLWESGCAOIIN-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB C[C@H]1CCC[C@H]2[C@@H]1C2(Br)Br 71785507 DDLGYTAQJREHKY-LYFYHCNISA-N 267.992 3.539 0 40 CHAB COc1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1 224021797 NQECRFZOKYVGLB-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1C 222948900 CRGWIIQGFBFKJG-MRXNPFEDSA-N 297.398 3.809 0 40 CHAB CCCCNCc1cccn1-c1ccc(C)cc1C 223680983 LNLSYZZHDXTQFF-UHFFFAOYSA-N 256.393 3.984 0 40 CHAB O=C(COc1cccc(Cl)c1)NCCC1=CCCCC1 222765335 XXEUHNKDKRLWFX-UHFFFAOYSA-N 293.794 3.726 0 40 CHAB CCOc1ccc(CNC(=O)c2cc(C)c(C)cc2C)cc1 225645757 CVERIUFSIRULQP-UHFFFAOYSA-N 297.398 3.941 0 40 CHAB CC(C)[C@@H](C)NC(=O)/C=C/c1ccccc1Cl 225184444 OBISVNDQTYXFJY-ANYFNZRUSA-N 251.757 3.514 0 40 CHAB Cc1ccc(CC(=O)NC(C)(C)Cc2ccccc2)cc1C 225520653 ZLOZLIUUTFZULU-UHFFFAOYSA-N 295.426 3.983 0 40 CHAB C[S@@](=O)Cc1cc(NCc2cccs2)ccc1Cl 195559035 WZYJBGPQBOLKRA-GOSISDBHSA-N 299.848 3.892 0 40 CHAB Cc1cc(CNCc2c(C)nn(C(C)C)c2C)c(C)o1 85395732 PARYVJPDJGFZHE-UHFFFAOYSA-N 275.396 3.580 0 40 CHAB COc1cccc(-c2ccc3c(Cl)nccc3n2)c1 95097402 VUYIVKWGVMILPH-UHFFFAOYSA-N 270.719 3.959 0 40 CHAB O=C(CC1(n2cccc2)CCCCC1)Nc1ccccn1 95479374 COIOMVIZRYTVFA-UHFFFAOYSA-N 283.375 3.571 0 40 CHAB N#Cc1ccc(C(=O)NC2(c3cccs3)CCCC2)cc1 390827691 JESLYZJEXJHEGJ-UHFFFAOYSA-N 296.395 3.819 0 40 CHAB Cc1cccc(C(=O)N2CC[C@H](c3cccs3)C2)c1 825212645 SLOQCRWFNIRNKH-AWEZNQCLSA-N 271.385 3.686 0 40 CHAB CCSc1ccccc1NCc1nnsc1Cl 89104188 NITIQQCIANRKHC-UHFFFAOYSA-N 285.825 3.916 0 40 CHAB Nc1ccc(NC(=O)/C=C/c2cccs2)c(Cl)c1 170262773 DBGOHGMIEVMLPC-GQCTYLIASA-N 278.764 3.636 0 40 CHAB Cc1cccc(OCC(=O)NC2CCCCCC2)c1C 382465 ROIQARUGIMKYGK-UHFFFAOYSA-N 275.392 3.521 0 40 CHAB Cc1ccc(Cn2c(=O)oc3ccc(Cl)cc32)cc1 12951468 OVCRBXOLKPLXFP-UHFFFAOYSA-N 273.719 3.605 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1C 13582225 IISCGTQNNIDBMP-CQSZACIVSA-N 283.371 3.885 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)NC2CCCCCCC2)c1C 6901527 KIXOWYOEVJBXSZ-UHFFFAOYSA-N 290.407 3.677 0 40 CHAB CC1(C)CCC[C@]2(C)[C@H]1CC[C@]1(C)OC(=O)C[C@H]12 100823694 IMKJGXCIJJXALX-RKLWJJNISA-N 250.382 3.935 0 40 CHAB endogenous,in-man CSCCC(=O)c1ccccc1OC(F)(F)C(F)F 575361114 RFAPXIJFGFQLBK-UHFFFAOYSA-N 296.285 3.859 0 40 CHAB CC(C)(C)c1noc(CN2CCC[C@@H]2c2ccsc2)n1 40105868 ZSGOPNRZQXINTR-GFCCVEGCSA-N 291.420 3.766 0 40 CHAB CC(C)COc1ccc(-c2nnc(-c3ccncc3)o2)cc1 420034 JVNMBPPQMKHRCX-UHFFFAOYSA-N 295.342 3.833 0 40 CHAB O=C(CCC1CCCC1)N[C@H]1CCOc2ccccc21 7214906 AKIKCAIIKBEGHG-HNNXBMFYSA-N 273.376 3.597 0 40 CHAB O=C(c1ccccc1)c1cccc(CN2CCCCC2)c1 2514990 UCSZPHGBCMWTDM-UHFFFAOYSA-N 279.383 3.904 0 40 CHAB CC(C)OCc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 40541832 YLUVWXMQJFUNSV-QGZVFWFLSA-N 287.403 3.584 0 40 CHAB CCOC(=O)[C@@H](CC)C(O)(c1ccccc1)c1ccccc1 2044662 FRDBLWGQNYXCOQ-QGZVFWFLSA-N 298.382 3.512 0 40 CHAB Cc1cc(NC(=O)c2ccc(Cl)cc2)cc(C)c1O 3075613 FIISPOHGZMRLDH-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB CC(C)(C)[P@@](=O)(c1ccncc1)N1CCCCCC1 3173765 ZECLZBAERKGWPR-IBGZPJMESA-N 280.352 3.660 0 40 CHAB CC(=O)[C@@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)C 3846283 YOZCVQKUWBRLMA-XZDPQHSOSA-N 282.424 3.852 0 40 CHAB COC(=O)C[C@]1(C)O[C@H]2CCCC[C@H]2C2=CCCC[C@H]21 4027584 WNVJVFWHEQPCPV-IVSAIRAKSA-N 278.392 3.624 0 40 CHAB O=C1C[C@H](c2cccs2)Cc2c1cnn2-c1ccccc1 4992916 KVPPDEJRNOXQNK-GFCCVEGCSA-N 294.379 3.847 0 40 CHAB CCNCc1ccccc1OCc1ccccc1F 6497346 IMJIKUUPHPBDOL-UHFFFAOYSA-N 259.324 3.514 0 40 CHAB O=C(CSCc1ccccc1)NC1CCCCCC1 6529648 PNAWIHNOICYDKF-UHFFFAOYSA-N 277.433 3.759 0 40 CHAB Cc1ccc(CCCNC(=S)Nc2ccccc2)cc1 10110380 RMXDMPBCBGBJEZ-UHFFFAOYSA-N 284.428 3.914 0 40 CHAB Cc1cc(C(=O)CSc2cnc3ccccc3n2)c(C)[nH]1 32778388 VDDJMALEZJWDKJ-UHFFFAOYSA-N 297.383 3.550 0 40 CHAB Cc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1 60372368 VCKDIZLNOPFTEY-UHFFFAOYSA-N 271.707 3.779 0 40 CHAB Oc1ccc(Cl)c2ccc(CCN3CCCCC3)nc12 59474702 WGVJKPYSOPMSGR-UHFFFAOYSA-N 290.794 3.622 0 40 CHAB Cc1nccn1CCOc1cccc(Cl)c1Cl 41392947 ZKBBWIMNWKPEJB-UHFFFAOYSA-N 271.147 3.577 0 40 CHAB C[C@@H](c1ccco1)N(C(=O)N[C@@H]1CC=CCC1)C1CC1 86401436 UNAOIQJTNVIHMU-QWHCGFSZSA-N 274.364 3.623 0 40 CHAB CCCn1ccc(C(=O)Nc2ccc(C)c(Cl)c2)n1 28243315 LGSQGZJZVVPTAZ-UHFFFAOYSA-N 277.755 3.507 0 40 CHAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccncc1 17584482 VZJPDKZVEWFRFD-UHFFFAOYSA-N 292.338 3.913 0 40 CHAB Cc1cccc(NC(=O)c2csc3c2CC[C@H](C)C3)n1 27655637 DBLLCZAVUXYYAM-JTQLQIEISA-N 286.400 3.829 0 40 CHAB CC(C)(C)c1cnc(CN2CCC[C@H]2c2ccc[nH]2)o1 58407700 XFGFPZMWGGVEHF-ZDUSSCGKSA-N 273.380 3.637 0 40 CHAB Cc1[nH]c2ccccc2c1CC(=O)N1C[C@@H](C)C[C@H](C)C1 45264950 QWQVRJSHHSZVRN-STQMWFEESA-N 284.403 3.523 0 40 CHAB COc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 12804424 MWAXKFGXYNIQMF-UHFFFAOYSA-N 285.387 3.706 0 40 CHAB O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)cc1F 12945226 YWFCWCCOVQIPNZ-UHFFFAOYSA-N 296.754 3.677 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 4026336 QADHLRWLCPCEKT-JUKXBMAYSA-N 290.447 3.671 0 40 CHAB biogenic C[C@H](Oc1ccccc1C(N)=O)c1ccccc1Cl 14124118 WFCHKCKBHAMAMW-JTQLQIEISA-N 275.735 3.579 0 40 CHAB c1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)cc1 4700845 IOAMRPKRUAPWOJ-LJQANCHMSA-N 297.398 3.534 0 40 CHAB O=C(O)CCC(c1ccc(F)cc1)c1ccc(F)cc1 5840269 CZNWJIAAVVXYFS-UHFFFAOYSA-N 276.282 3.962 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)CCCc2c[nH]c3ccccc23)C1 6945790 HYVOLOYCDLSLJR-HUUCEWRRSA-N 298.430 3.995 0 40 CHAB CCCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)S2 8715450 FRLFMKBGZJPKMS-GFCCVEGCSA-N 294.811 3.622 0 40 CHAB COc1ccc([C@H](NC(=O)/C=C/c2ccco2)C2CC2)cc1 8943241 ZOVVHOMKXCFXLW-DOJUMQAQSA-N 297.354 3.569 0 40 CHAB Cc1ccc(-c2cc(NC(=O)C3CCCC3)[nH]n2)s1 72278466 AWLGLDPUMAKBTG-UHFFFAOYSA-N 275.377 3.575 0 40 CHAB CCCN1C(=O)c2ccccc2[C@@H]1c1ccccc1 9425710 MJYBXUNRNZKJPL-INIZCTEOSA-N 251.329 3.642 0 40 CHAB CC(C)Cc1ccc(CNc2ccc(C(N)=O)cc2)cc1 94895863 LLCUHMHGALCZCC-UHFFFAOYSA-N 282.387 3.596 0 40 CHAB Fc1cccnc1NCc1cccc(Cl)c1F 84488150 ZTRXCYWACBLZAQ-UHFFFAOYSA-N 254.667 3.625 0 40 CHAB C[C@@H](N[C@H](c1ccccc1)c1ccccn1)c1ccncc1 95349345 HDYGSCJCLQWHCD-DNVCBOLYSA-N 289.382 3.917 0 40 CHAB CC(C)CC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 95457259 XDFLKHOVSAIWIH-ZDUSSCGKSA-N 273.298 3.626 0 40 CHAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1O 95997695 FARMKOHCYFMLPS-SFHVURJKSA-N 295.382 3.972 0 40 CHAB Cc1nc(N2CCC[C@H]2Cc2ccccc2)sc1C 95964984 LUYRMMUNEYTTCP-HNNXBMFYSA-N 272.417 3.971 0 40 CHAB CCCCc1ccc(NC(=O)c2ccnn2CCC)cc1 28222542 MQDHHLVELAPHLX-UHFFFAOYSA-N 285.391 3.888 0 40 CHAB Cc1cccc2c(C(=O)O)c(-c3ccccc3)[nH]c12 408839683 VJIYIDHWWNFEHF-UHFFFAOYSA-N 251.285 3.842 0 40 CHAB Cc1ccc2[nH]cc(/C=C3\SC(=S)N=C3O)c2c1 32109507 KRMVKOHTSYKXDA-WZUFQYTHSA-N 274.370 3.805 0 40 CHAB CCc1cccnc1[C@H](C)NC1(c2ccccc2)CC1 507464056 WHKBHBYUYDCKKZ-AWEZNQCLSA-N 266.388 3.984 0 40 CHAB Cc1cc([C@H]2CCCCN2C(C)C)cnc1N1CCCC1 72218821 UEMCCGXZFJMUHD-QGZVFWFLSA-N 287.451 3.926 0 40 CHAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCCN1C(C)C 72218880 ZOEBPJDOMHNBPW-KRWDZBQOSA-N 287.451 3.926 0 40 CHAB CCCN(CCC)C(=O)c1ccc2nc(C)c(C)nc2c1 36139400 GNHWYPNVQVVSAY-UHFFFAOYSA-N 285.391 3.509 0 40 CHAB Clc1ccc(OCCC2CCNCC2)cc1Cl 33962972 ZGWTWYRKDWQSGR-UHFFFAOYSA-N 274.191 3.762 0 40 CHAB COc1ccccc1NC(=O)NC(C)(C)Cc1ccccc1 33638330 JAUBYJGQVAHOPJ-UHFFFAOYSA-N 298.386 3.838 0 40 CHAB O=C(c1ccc(F)c(Cl)c1)c1ccc(F)cc1F 62791740 LBSMVIKKLVCVIR-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB Cc1ccc(O)c(CNCc2ccccc2CC(C)C)n1 527734781 UMBQPJXGTWZOKZ-UHFFFAOYSA-N 284.403 3.584 0 40 CHAB CC(C)(C)SCCNC(=S)Nc1ccc(F)cc1 225350577 ULVHGHUTOSIROA-UHFFFAOYSA-N 286.441 3.644 0 40 CHAB Cc1ccc2ccccc2c1[C@H](O)c1ccc(N)cc1 226294584 GKRULBFTHNWURN-GOSISDBHSA-N 263.340 3.812 0 40 CHAB CNc1cc(Br)cc(C(F)(F)F)c1 83851963 WSMOGZRZCKKEOS-UHFFFAOYSA-N 254.049 3.510 0 40 CHAB CCc1ccc(CC(=O)N[C@@H](C)CCc2ccccc2)cc1 223862993 HGCBLEDJAZGZSW-INIZCTEOSA-N 295.426 3.929 0 40 CHAB COc1cccc(CN[C@@H](C)[C@H](C)c2ccccc2)c1OC 80247752 RRJJZCOOJGQJRE-GJZGRUSLSA-N 299.414 3.986 0 40 CHAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(CC3CC3)C[C@@H]21 96058333 YUNIKDZJGSHJDL-FHWLQOOXSA-N 284.447 3.507 0 40 CHAB O=Cc1cc(C(F)(F)F)c(Br)cc1Cl 90413767 YWBDRNZTZYCVII-UHFFFAOYSA-N 287.462 3.934 0 40 CHAB in-vitro FC(F)(F)c1ccc(-c2ncc3c(n2)CSCC3)cc1 95836532 UYLFUTZEPXSWJG-UHFFFAOYSA-N 296.317 3.952 0 40 CHAB O=C(NCCCc1ccccc1)N1CCC(=C2CC2)CC1 238923757 UKTNCGXUTBWYDZ-UHFFFAOYSA-N 284.403 3.515 0 40 CHAB C[C@@H](Cc1ccc(Cl)cc1Cl)NC1CCOCC1 96476910 IYVDKSXCLRTKBS-JTQLQIEISA-N 288.218 3.693 0 40 CHAB CCCCc1ccc(N(CCC)[C@H](C)C(=O)O)cc1 260680961 ZOXBFUDPLARLOU-CYBMUJFWSA-N 263.381 3.719 0 40 CHAB O=C(c1ccc(F)cc1)c1cccc(F)c1Cl 89064307 TUAUWCWRKMPNHA-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB COc1ccc(Cl)cc1C(=O)COCc1ccccc1 382701752 OYFYZCIPBYGVQD-UHFFFAOYSA-N 290.746 3.748 0 40 CHAB O=C(c1ccc2ccccc2n1)N1CCCCCCC1 42141376 PGIFTWSMBBNYPF-UHFFFAOYSA-N 268.360 3.641 0 40 CHAB Cc1noc(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1 111893 ZYLZRSYPRVSVTD-UHFFFAOYSA-N 272.348 3.841 0 40 CHAB Cc1cccnc1NC(=O)Cc1cccc(C(F)(F)F)c1 12545123 USCMHTFEVPKDSM-UHFFFAOYSA-N 294.276 3.590 0 40 CHAB COc1cc(C(=O)Nc2cc(F)ccc2C)ccc1C 14167986 VDTQSRBJVSUHPC-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc(N)c(C)c2)c(C)c1 19401762 RUMGLQFQHKWYOS-UHFFFAOYSA-N 268.360 3.755 0 40 CHAB FC(F)(F)c1ccccc1NCc1ccccn1 19905234 PTUIAKLVIGEQFI-UHFFFAOYSA-N 252.239 3.713 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccco1 574548 NJMROCSCUKXKTI-FNORWQNLSA-N 261.708 3.893 0 40 CHAB O=C(N[C@H]1CCSc2c(F)cccc21)C1CCCC1 15513221 VLGUFZANUIOOHK-ZDUSSCGKSA-N 279.380 3.669 0 40 CHAB CCOc1c(Br)ccc(F)c1Cl 953019451 RGIKBXBHTWYCNB-UHFFFAOYSA-N 253.498 3.640 0 40 CHAB CCc1cnc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)nc1 1776001780 LSMMAJSVUPHOQN-HOTGVXAUSA-N 269.392 3.651 0 40 CHAB CCN(CC)SC(=S)CC(=O)c1ccccc1 239563236 ZEJUNKLXANOMGC-UHFFFAOYSA-N 267.419 3.577 0 40 CHAB O=C(c1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1775973973 SXIQFJFKZPPTGO-HOTGVXAUSA-N 271.335 3.683 0 40 CHAB CC1(C)C(=O)[C@]2(C(=O)Nc3ccccc3Cl)CC[C@H]1C2 352937 ABSFGQHJOLDQGL-QFYYESIMSA-N 291.778 3.674 0 40 CHAB CC(C)OCc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 40541830 YLUVWXMQJFUNSV-KRWDZBQOSA-N 287.403 3.584 0 40 CHAB CCN(CC)C[C@H](O)C1CCC(c2ccccc2)CC1 1593755 KCPQCTKXSFRSEY-ABHNRTSZSA-N 275.436 3.663 0 40 CHAB CC1(C)O[P@@](=O)(c2ccccc2)C=C1Br 1642291 UZZAFLQYWCVDRQ-OAHLLOKOSA-N 287.093 3.635 0 40 CHAB COc1ccccc1NC(=O)CCCOc1ccc(C)cc1 3607726 FPZIDGHJZGELMF-UHFFFAOYSA-N 299.370 3.801 0 40 CHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](c3ccccc3)[C@@H]1[C@H]2C 4026976 PLYQNNOXZOYWGG-UDCKQINGSA-N 272.388 3.585 0 40 CHAB CC[C@@H](C)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7539008 FFRRQBGOGMAISU-GFCCVEGCSA-N 287.359 3.621 0 40 CHAB CCCc1nn(C)c(C(=O)Nc2cccc(C)c2)c1Cl 385498 PRJLHQKDFHUXRR-UHFFFAOYSA-N 291.782 3.587 0 40 CHAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CC(=O)C[C@@H]12 8551421 WDSIJVKJXHSMCM-URRAISSESA-N 290.447 3.959 0 40 CHAB in-vitro CCc1noc(C)c1C(=O)N[C@H](C)c1cc(C)sc1C 46240500 JANNAXXGZRERHU-SECBINFHSA-N 292.404 3.715 0 40 CHAB CCCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 60370065 XKIQEGNQSHLZKL-AWEZNQCLSA-N 271.364 3.674 0 40 CHAB COc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1 527004 AJNLRLMRIQLPMM-UHFFFAOYSA-N 266.300 3.721 0 40 CHAB c1cc2c(s1)[C@@H]1CCCC[C@@H]1O[C@]21CN2CCC1CC2 103032505 YOTNJKHOKZAJDD-KMFMINBZSA-N 289.444 3.725 0 40 CHAB O=C(Nc1cc(F)ccc1F)c1cccc(OC(F)F)c1 2743592 GSINUJIOWVRIRP-UHFFFAOYSA-N 299.223 3.819 0 40 CHAB Cc1ccn(-c2ccc(NC(=O)NC3CCCCC3)cc2)n1 28219734 YZZNDAILPHACKY-UHFFFAOYSA-N 298.390 3.635 0 40 CHAB CCN(CC)CCNc1nc2cc(C)c(C)cc2s1 34936058 JUXXUEZHYFYCRM-UHFFFAOYSA-N 277.437 3.667 0 40 CHAB COc1ccccc1NC(=O)c1ccc2ccccc2c1O 3151812 FOXHGFAYNSVJSF-UHFFFAOYSA-N 293.322 3.806 0 40 CHAB OSCCSc1nc2cc(Cl)ccc2o1 2179639 XNOPGBCROYWSKA-UHFFFAOYSA-N 261.755 3.780 0 40 CHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1)C2 12618103 WTMOOJWEPSAJBC-HNNXBMFYSA-N 269.369 3.651 0 40 CHAB O=C(CCc1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 12986261 GKRFHUNHBSUFEH-KBPBESRZSA-N 299.336 3.857 0 40 CHAB Cn1c(CSc2nc3ccccc3[nH]2)nc2ccccc21 4045705 BLWIPAYMLVQBRG-UHFFFAOYSA-N 294.383 3.742 0 40 CHAB CCOC(=O)c1ccc2nc(-c3ccccc3)oc2c1 62720023 LXVXETFJVQEWRC-UHFFFAOYSA-N 267.284 3.672 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC(C(C)C)C(C)C 20484951 VROUODLSBNIZQK-MRXNPFEDSA-N 291.435 3.949 0 40 CHAB Cc1ccc2c(c1)Cc1c(O)nc(-c3ccccc3)nc1O2 67350824 PECVUCHCLGIUQV-UHFFFAOYSA-N 290.322 3.854 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2O1 7957202 HVNHABPJKRVVQR-HNNXBMFYSA-N 287.746 3.591 0 40 CHAB C[C@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)[C@@H](C)C1 72313571 LXCRJYGACYEXSY-KBPBESRZSA-N 298.390 3.525 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(F)c2)c1C 33005435 FHWUYZYXYFACGN-UHFFFAOYSA-N 288.322 3.534 0 40 CHAB O=C(c1ccccc1OC(F)(F)F)C1CCCC1 55199793 KDXXFFQJSSBKIK-UHFFFAOYSA-N 258.239 3.958 0 40 CHAB Cc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2n1C 74957295 GJIABXLZLKCBIB-UHFFFAOYSA-N 297.402 3.502 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cnc(C(C)C)nc1C 75436979 QSORQMZPAPQBSI-UHFFFAOYSA-N 283.375 3.778 0 40 CHAB COc1ccc(C)cc1COc1ccccc1OC 32741458 AHKUOXPYQMLEKS-UHFFFAOYSA-N 258.317 3.591 0 40 CHAB CCOc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72211777 WTAWEYHCVQSBJM-CYBMUJFWSA-N 292.379 3.552 0 40 CHAB Cc1cc(Br)c2cc(F)cc(C)c2n1 85386398 GPUJVLVTFXVDCY-UHFFFAOYSA-N 254.102 3.753 0 40 CHAB O=C(O)[C@H](Cc1ccc(F)cc1)Oc1cccc(Cl)c1 225053620 NAVWSUHWUAEFGJ-AWEZNQCLSA-N 294.709 3.554 0 40 CHAB CCC1(NC(=S)Nc2cccc(OC)c2)CCCC1 225846830 HXBRYAXFQKVSQU-UHFFFAOYSA-N 278.421 3.704 0 40 CHAB Cc1cccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)c1 225018549 RPSUTTFKDJEJMF-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C(C)(C)OC)cc1C 225600387 TZUMMQLREQRIFB-CYBMUJFWSA-N 293.407 3.844 0 40 CHAB CCOC(=O)c1ccc(OCc2ccc(F)cc2)cc1 44200400 WMGSTGHXGRZWEB-UHFFFAOYSA-N 274.291 3.581 0 40 CHAB Cc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)c(C)c1 225057511 QWRKYLAJVRJZDS-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB CCCC[C@@H](CC)CNC(=O)Cc1cccc(F)c1 85423411 SJXDBUMNYCQMCM-CYBMUJFWSA-N 265.372 3.701 0 40 CHAB CC(C)(C)NC(=O)CCc1c(Cl)cccc1Cl 225342786 BXWQFRAOUFGNRY-UHFFFAOYSA-N 274.191 3.841 0 40 CHAB COC(=O)CCC(C)(C)c1ccc(Br)cc1 96527979 WVHGOZBQKWYPSM-UHFFFAOYSA-N 285.181 3.680 0 40 CHAB CC[C@H](O)c1ccc(OCc2cccc(NC(C)=O)c2)cc1 96417354 BHASVPWOCPKRJT-SFHVURJKSA-N 299.370 3.667 0 40 CHAB C[C@]1(C2CC2)CC(=O)N(Cc2ccc(F)cc2Cl)C1 95512007 BDRFPAUPLPKEJV-HNNXBMFYSA-N 281.758 3.628 0 40 CHAB CCCN1c2cc(OC)c(C(=O)O)cc2[C@H](C)CC1(C)C 260719776 MSLGODOIROSKIY-LLVKDONJSA-N 291.391 3.896 0 40 CHAB Cc1nnc([C@@H](C)Sc2cccc(Cl)c2)o1 69870135 BECFXOBTXDCXOR-SSDOTTSWSA-N 254.742 3.885 0 40 CHAB COc1ccc(Cl)cc1C(=O)NCC1(C(C)C)CC1 75108575 UPDPWXCEZHRKJU-UHFFFAOYSA-N 281.783 3.515 0 40 CHAB Nc1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1 20344161 BVIVDZCXAIUZNQ-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cc(Cl)ccn1 13020064 QGOSQLLJGALGSO-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB Cc1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 13710377 SMMGUQUPISJDQD-INIZCTEOSA-N 297.398 3.696 0 40 CHAB CC[C@@H](C(=O)N1CCC(=C2CC2)CC1)c1ccccc1 238847378 IQALJUAPHOEPGY-QGZVFWFLSA-N 269.388 3.893 0 40 CHAB CC(C)(C)c1ccc(C(=O)NCc2ccsc2)cc1 13698155 JTHMRHWPQNQEKM-UHFFFAOYSA-N 273.401 3.976 0 40 CHAB COc1ccc(Cl)cc1N[C@H]1OC(=O)c2ccccc21 100215 FXBYSFYGZQTEIQ-AWEZNQCLSA-N 289.718 3.630 0 40 CHAB CCC(C)(C)C(=O)Nc1nc2ccc(OC)cc2s1 68470 RWBJTQONXXLRDN-UHFFFAOYSA-N 278.377 3.680 0 40 CHAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2C)c(C)c1 570462 OSVBVZJUVSKYKI-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB CCOC(=O)[C@@H]1CC(=O)c2ccccc2[C@H]1c1ccccc1 1685572 LAKGJAYWSVCIGK-SJLPKXTDSA-N 294.350 3.584 0 40 CHAB Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)O)cc1 6218651 DBQJTSGVUHVMIC-UHFFFAOYSA-N 299.326 3.591 0 40 CHAB CCC[C@@H](C)NC(=O)CSc1ccc(Cl)cc1 6324832 TXOLHHJLEVMIIA-SNVBAGLBSA-N 271.813 3.737 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)o1 6790400 DSAYHCWKXKIFIU-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB CC(=O)c1cccc(OC(=O)c2ccc3c(c2)CCCC3)c1 8040029 HYCUDBCRUNVMMU-UHFFFAOYSA-N 294.350 3.987 0 40 CHAB COc1ccccc1C(C)(C(C)=O)c1ccccc1OC 339323 PFKIBOAWZIUTLZ-UHFFFAOYSA-N 284.355 3.599 0 40 CHAB Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccco1)N2 377082 JRMFPRLCQZRNAX-XZJROXQQSA-N 255.317 3.832 0 40 CHAB Brc1nc2ccccc2n1Cc1ccccc1 301637 AEOKDOWVFZDUNC-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB O=C(Nc1ccccc1OC(F)F)c1ccccc1F 557788 IIPJCLJLPAKQLD-UHFFFAOYSA-N 281.233 3.679 0 40 CHAB CC(C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2740346 JSOCSPFIFAEUBU-VIFPVBQESA-N 290.190 3.533 0 40 CHAB CN(C)c1ccc(C(=O)[C@@H]2N=NC[C@@H]2c2ccccc2)cc1 104256695 CQWMJXRESLIOML-IAGOWNOFSA-N 293.370 3.554 0 40 CHAB Cc1cc(C)cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 3069635 BRUGSKZHGSOVQQ-GQCTYLIASA-N 295.338 3.684 0 40 CHAB CCN(CC)c1ccc(NC(=O)CCc2ccco2)cc1 12565231 GUUAPIDAQRMREU-UHFFFAOYSA-N 286.375 3.697 0 40 CHAB Nc1onc(-c2ccsc2)c1Cc1ccccc1 26512657 YGBNSZIMDNMMAP-UHFFFAOYSA-N 256.330 3.576 0 40 CHAB COC(=O)c1cccc(Nc2ccnc3ccc(F)cc23)c1 26507746 LEZOTPFHBUVMNG-UHFFFAOYSA-N 296.301 3.904 0 40 CHAB CCCCNC(=O)CS[C@@H]1CCCc2ccccc21 58161972 NAOTUSRSONKDGB-OAHLLOKOSA-N 277.433 3.714 0 40 CHAB CCN(CC)C(=O)C[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1 2149937 HEUJCGMLLZGMIQ-CABCVRRESA-N 283.456 3.722 0 40 CHAB biogenic COc1ccccc1[C@H](C)N(C)C(=O)[C@H]1CC=CCC1 44909035 HWXMJIPGSFRNAD-KBPBESRZSA-N 273.376 3.571 0 40 CHAB CCC[C@@H](NC(=O)CCc1ccco1)c1ccccc1 48340038 KLESVKAFMRHTGP-MRXNPFEDSA-N 271.360 3.870 0 40 CHAB CC(C)CNC(=O)/C=C/c1cccc2ccccc12 12864810 MVJOPLMEHPSGRV-ZHACJKMWSA-N 253.345 3.625 0 40 CHAB O=c1c2ccsc2[nH]c(=S)n1-c1ccc(Cl)cc1 3425871 DUMHWRXFVYNRFV-UHFFFAOYSA-N 294.788 3.763 0 40 CHAB Cc1ccc2c(CC(=O)Nc3nc(C)cs3)coc2c1 3561920 XSMCRPNYYFYXOV-UHFFFAOYSA-N 286.356 3.687 0 40 CHAB C[C@@H]1CCCN([C@@H](CN)c2ccc(Cl)c(Cl)c2)C1 20081650 QUIZRRFSKOTIJC-YGRLFVJLSA-N 287.234 3.725 0 40 CHAB Nc1cc(Br)ccc1Oc1ccccc1 14630953 PBWVVCKGEVIALS-UHFFFAOYSA-N 264.122 3.824 0 40 CHAB in-vitro Cc1nc(-c2cccs2)c(CC(=O)NC(C)(C)C)s1 15842195 URYKJDZYMGSNJM-UHFFFAOYSA-N 294.445 3.637 0 40 CHAB O=C(CCc1ccc(-c2ccccc2)o1)NC1CCCC1 8081719 YPTSZKSNKXHIKE-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CCOC(=O)c1c(C)nn(-c2ccc(C(C)C)cc2)c1C 22996489 LOWLHHRWBATHLM-UHFFFAOYSA-N 286.375 3.789 0 40 CHAB CCc1cc(C(=O)C(F)(F)Cl)ccc1Cl 308838631 XOVIKRRRWVVXJZ-UHFFFAOYSA-N 253.075 3.917 0 40 CHAB COc1cc(C)c([C@@H]2CCCN2Cc2ccccc2)cn1 72218005 IHSBZHOZMLNGCR-KRWDZBQOSA-N 282.387 3.736 0 40 CHAB O=C(Nc1c[nH]c2ccccc12)c1c(F)cccc1F 71285784 LDDKVBDDHISGOI-UHFFFAOYSA-N 272.254 3.698 0 40 CHAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1cccs1 225121458 GOIPCCXMKXCSFQ-UHFFFAOYSA-N 295.429 3.580 0 40 CHAB Cc1ccc(CC(=O)NCc2ccc(Cl)cc2)c(C)c1 223681156 PFINELIKMWWKHW-UHFFFAOYSA-N 287.790 3.816 0 40 CHAB CC(C)c1ccc([C@@H](OCC(=O)O)C(F)(F)F)cc1 95096440 VZLLKDVSJKKKGT-GFCCVEGCSA-N 276.254 3.515 0 40 CHAB N#CC1(c2ccc(OC(F)(F)F)cc2)CCCC1 144577902 WGJNVBPSVRIGFA-UHFFFAOYSA-N 255.239 3.921 0 40 CHAB Cc1ccc(CNCc2cccc(OC(F)(F)F)c2)cn1 96403756 XMCWDMQYPRQJBC-UHFFFAOYSA-N 296.292 3.578 0 40 CHAB Cc1nnc(CSCc2ccccc2OCC(C)C)o1 96467821 QQMUCRLVHGQUIF-UHFFFAOYSA-N 292.404 3.846 0 40 CHAB C[C@@H]1CC[C@H]1COc1ccc(C=O)cc1Br 575410962 QKIIEJQMLQHMFC-KOLCDFICSA-N 283.165 3.687 0 40 CHAB C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH]ncc23)C1 68212318 LVLYTSMSUGMVDN-XNJGSVPQSA-N 297.402 3.604 0 40 CHAB F[C@@H]1Oc2cc(Cl)c(Cl)cc2OC1(F)F 91252139 LNKLSARNVLCRPV-SSDOTTSWSA-N 259.010 3.653 0 40 CHAB COc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 97684 AXAMGAXDIOAMEI-UHFFFAOYSA-N 252.317 3.855 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2ccc(F)cc2F)cc1 3093873 FAZGGYXWVDQCKK-RMKNXTFCSA-N 273.282 3.925 0 40 CHAB COc1ccc(OCc2nc3ccccc3nc2C)cc1 12372677 PERNGJBZKPKVJY-UHFFFAOYSA-N 280.327 3.526 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12753604 MDYZLCWRWJYFFF-APPDUMDISA-N 263.340 3.852 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)NC(C(C)C)C(C)C)c1 13710396 GGPNWWGFEZRDIS-OAHLLOKOSA-N 291.435 3.868 0 40 CHAB CCc1cccc(NC(=O)Nc2ccc(OC)cc2)c1 16991810 QUEHPIGQVGNWDK-UHFFFAOYSA-N 270.332 3.902 0 40 CHAB Fc1cccc(/C=C/c2cnnc3ccccc23)c1 1693167 PMFCZNLXGDLNPN-CMDGGOBGSA-N 250.276 3.939 0 40 CHAB CCc1cc(N)cc(Br)c1N1CCC[C@H](C)C1 226315390 ZWMJUZITSPXZTH-JTQLQIEISA-N 297.240 3.830 0 40 CHAB Nc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 119357445 JHVLQUWFLUVARO-UHFFFAOYSA-N 296.301 3.920 0 40 CHAB Cc1ccccc1C(=O)Nc1cc(C(=O)O)ccc1Cl 13167628 AUXDCUSXXKZHJQ-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CC(C)[C@H](NC(=O)NC1CCCC1)c1ccc(F)cc1 10036181 KTLKHSBAKIJORY-HNNXBMFYSA-N 278.371 3.765 0 40 CHAB CC(C)(C)CC(=O)NCc1cccc(C(F)(F)F)c1 40160281 SFZACRYORBDCLR-UHFFFAOYSA-N 273.298 3.758 0 40 CHAB O=C1CCCc2cc(-c3csc(NC4CC4)n3)ccc2N1 30447022 SXBJNAHXLQBTRG-UHFFFAOYSA-N 299.399 3.659 0 40 CHAB C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccccc1Cl 68372556 QIXDVFQLWNOHJL-NSHDSACASA-N 289.766 3.960 0 40 CHAB C[C@@H](C(=O)O)c1cn(Cc2ccccc2)c2ccccc12 1611960 GAHBTSIQOMDKGQ-CYBMUJFWSA-N 279.339 3.878 0 40 CHAB CN(C)C(=O)Oc1cc(Cl)c(Cl)cc1Cl 1733815 VCSDFCWFZZFAEC-UHFFFAOYSA-N 268.527 3.707 0 40 CHAB O=C(c1ccccc1CN1CCCC1)C1CCCC1 2515590 ONLFCBAEGHKDEM-UHFFFAOYSA-N 257.377 3.655 0 40 CHAB Cc1ccc(NC(=O)c2sc(C)nc2C)c(C)c1 6767524 DHMHSNRXDUOZCP-UHFFFAOYSA-N 260.362 3.629 0 40 CHAB C[C@H](Cc1ccccc1F)C(=O)Nc1ccc2c(c1)COC2 91680708 MYSVJXLYRRNNHL-GFCCVEGCSA-N 299.345 3.673 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1)c1ccc(F)cc1 8285558 AQDOGSYRNLREEX-CYBMUJFWSA-N 271.335 3.636 0 40 CHAB CCC[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 8519909 MCTKTPNIWRIULL-ZDUSSCGKSA-N 295.429 3.568 0 40 CHAB Cc1ccc(SCCC(=O)N2CCC(C)CC2)cc1 479533 XXTDHRWCGPRIHD-UHFFFAOYSA-N 277.433 3.736 0 40 CHAB C[C@@H](NC(=O)C1(C)CCCCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 100663383 ZEDXCBOWIYGFBY-KBUPBQIOSA-N 263.425 3.898 0 40 CHAB C[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCC2 53388205 XMWWBSGLBWMATH-GFCCVEGCSA-N 285.412 3.657 0 40 CHAB Cc1ccc(CC(=S)NCCc2ccccc2)cc1 9188096 UZFAORCRLFXTQG-UHFFFAOYSA-N 269.413 3.697 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)N(C)Cc2ccccc2)C1(C)C 53459061 CZVGRXXWFAQPQU-HOTGVXAUSA-N 271.404 3.883 0 40 CHAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)NC2CCCCC2)C1 100984461 ASNMQJHTWVLBJY-PBHICJAKSA-N 278.440 3.929 0 40 CHAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc(F)cc1F 104885886 JUUNWPZYETWKBU-GMTAPVOTSA-N 280.318 3.523 0 40 CHAB Clc1ccc(OCCC2CCNCC2)c2ncccc12 42771398 SQFWJIRXNVDFLX-UHFFFAOYSA-N 290.794 3.657 0 40 CHAB CSc1ncc2c(n1)-c1cc(C)ccc1SC2 1403604 PGCFIOPNQHNLHT-UHFFFAOYSA-N 260.387 3.780 0 40 CHAB Cc1nc(C)c(C(=O)N(C)[C@@H]2CCc3ccccc32)s1 27827170 YPZASVBFGPWMTF-CQSZACIVSA-N 286.400 3.519 0 40 CHAB COC[C@@H](C)NC(=O)c1oc2c(ccc3ccccc32)c1C 12623085 NFBHDLPCTSCLBX-LLVKDONJSA-N 297.354 3.659 0 40 CHAB CSCCC(=O)Nc1cccc(C2SCCS2)c1 12857313 XYRBCDSIXIKEDP-UHFFFAOYSA-N 299.486 3.857 0 40 CHAB O=C(Nc1ccc(F)cc1F)c1ccccc1OC(F)F 12944398 BDHBLDPVRABSJW-UHFFFAOYSA-N 299.223 3.819 0 40 CHAB CCc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2)cc1 20502378 QPTZJGIERNWUAZ-HNNXBMFYSA-N 281.399 3.977 0 40 CHAB CCc1nc(COc2ccc3ncccc3c2)cs1 65205865 AACOMPFMJVWPRJ-UHFFFAOYSA-N 270.357 3.833 0 40 CHAB O=C(Nc1cccc2cccnc12)[C@H]1CC=CCC1 8428877 AXHZBQBLLUWLLY-ZDUSSCGKSA-N 252.317 3.530 0 40 CHAB CCc1ccc(NC(=O)/C=C/c2csc(C)n2)cc1 14266957 SPGTZBJKLVEUHZ-CMDGGOBGSA-N 272.373 3.666 0 40 CHAB O=C(NCCC1=CCCCC1)Nc1ccc(F)cc1 18175125 QAYYUHXLLWUJEQ-UHFFFAOYSA-N 262.328 3.838 0 40 CHAB CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 15619968 ZTFPEABXRXMLFE-CYBMUJFWSA-N 253.345 3.941 0 40 CHAB O=C(O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 19412412 XJOZUMXBUUGLBO-ZDUSSCGKSA-N 262.305 3.744 0 40 CHAB in-vitro Cc1ccccc1C(=O)Nc1ccc2c(c1)CCC2 9190848 DJNDIISVUUCSKM-UHFFFAOYSA-N 251.329 3.736 0 40 CHAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2cccc(N)c2)cc1 19736033 YNVLIDBBKGIRQW-ZDUSSCGKSA-N 298.386 3.798 0 40 CHAB Cc1ccc2cc(CNC3CCCCC3)c(O)nc2c1 9458914 HMTZQWUWAIVOII-UHFFFAOYSA-N 270.376 3.671 0 40 CHAB O=c1oc2ccccc2cc1-c1nnc(-c2ccsc2)o1 72332490 RHEOLKWSELGNHD-UHFFFAOYSA-N 296.307 3.572 0 40 CHAB CCc1ccsc1C(=O)NC(C)(C)c1nc(C)cs1 78814207 WZNCCHLSQSMLEW-UHFFFAOYSA-N 294.445 3.741 0 40 CHAB CC(C)Oc1ccc(CC[C@@H](C)NC2CCOCC2)cc1 95420544 USOLXJDNKUSQBJ-OAHLLOKOSA-N 291.435 3.564 0 40 CHAB Cc1nccn1-c1ccc([C@H](C)NCCC(C)C)cc1 95419180 QPMYKJBLNHOUGR-AWEZNQCLSA-N 271.408 3.877 0 40 CHAB Nc1onc(-c2ccco2)c1-c1cccc(Cl)c1 26512626 WWNLOSCCEJUDTL-UHFFFAOYSA-N 260.680 3.837 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCCCCC1 20490398 LELNKGKKFREREH-AWEZNQCLSA-N 295.810 3.900 0 40 CHAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)C)cc1 516835067 JBVLXTWXTSBJDV-MRXNPFEDSA-N 295.448 3.619 0 40 CHAB C[C@H](NC(=O)C1=CCCCCC1)c1nc2ccccc2[nH]1 120437932 VJLCMRMFMPDCQH-LBPRGKRZSA-N 283.375 3.631 0 40 CHAB COc1ncc(C(F)(F)F)cc1-c1ccccc1F 47204810 RYUDMKHLENIZRJ-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C)c1 44899921 ORKJQFHNKKADHN-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CCN1CC=C(c2nc3c(C)cccc3s2)CC1 73638863 VCHPLODSWPPVRY-UHFFFAOYSA-N 258.390 3.714 0 40 CHAB Cc1ccc([C@H](O)c2ccc(Cl)c(Cl)c2)o1 40260311 FVOQKQKNSCRJBZ-GFCCVEGCSA-N 257.116 3.977 0 40 CHAB COc1cccc([C@@H](O)c2ccccc2Br)c1 43560645 RAROXVDEVSSDAJ-CQSZACIVSA-N 293.160 3.539 0 40 CHAB Cc1ccc(CCC(=O)N2CCCCCC2)cc1C 222908388 IBZUHJLGIMXGIG-UHFFFAOYSA-N 259.393 3.639 0 40 CHAB Cc1ccc(O[C@H](Cc2ccc(C)c(C)c2)C(=O)O)cc1 225033317 ODWFCZBOQBUCBN-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB C[C@@H]1COC(=O)N(c2cccc(-c3ccc(C=O)cc3)c2)C1 44563533 BZNANMAXMBXYDX-ZDUSSCGKSA-N 295.338 3.759 0 40 CHAB CC[C@@H](NC(=O)Cc1cccs1)c1ccccc1C 222809753 JMJCTGXXACGXBE-OAHLLOKOSA-N 273.401 3.867 0 40 CHAB CCCCOc1cc(C(=O)C(F)(F)F)cc(F)c1F 95732722 XHEQWCASVYGHIC-UHFFFAOYSA-N 282.208 3.889 0 40 CHAB CC(C)n1cc([C@H](CN)C(F)(F)F)c2ccccc21 96529471 UFMHAZWYJVYVBM-LBPRGKRZSA-N 270.298 3.827 0 40 CHAB CCc1occc1C(=O)Nc1c[nH]nc1-c1ccccc1F 252488165 IMGDHAXFJRTHEU-UHFFFAOYSA-N 299.305 3.624 0 40 CHAB CC(C)[C@@H]1C[C@@H](N)c2ccccc2N1C(=O)OC(C)(C)C 252492251 MGPYHEWUULDAER-HIFRSBDPSA-N 290.407 3.856 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2c2ccccn2)C1(C)C 55519168 LJBYGTTVEVMYBP-OIISXLGYSA-N 298.430 3.984 0 40 CHAB Cc1ccc([C@H](NCc2c[nH]nc2C)c2cccs2)cc1 97159365 HYVLALFRFIMKKE-KRWDZBQOSA-N 297.427 3.967 0 40 CHAB CC(C)N1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O 1018394 CALJLYCXWGELCJ-XFFZJAGNSA-N 281.764 3.785 0 40 CHAB Nc1cc(Cl)ccc1NC(=O)Cc1ccc(Cl)cc1 19440338 SSJRKHIXYMLINL-UHFFFAOYSA-N 295.169 3.757 0 40 CHAB Cc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 12368620 ACBODRCMSQGDDC-LCYFTJDESA-N 285.324 3.829 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H]1C 12921359 IEEWYRIOJGULGV-XJKCOSOUSA-N 284.403 3.651 0 40 CHAB c1ccc2c(c1)CO[C@@H](c1ccc3ncccc3c1)N2 14000553 QBVHGWCYRHHCHQ-KRWDZBQOSA-N 262.312 3.876 0 40 CHAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1F 18113988 CCYBVRAQBSPVHA-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB C[C@H](NCc1cccn1C)C12CC3CC(CC(C3)C1)C2 8497405 OXRFHJIEIVDZTP-IILDEKEXSA-N 272.436 3.720 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1ncnc2sccc12 1775995949 OJJKNSPQNGZJRY-TXEJJXNPSA-N 271.389 3.769 0 40 CHAB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccccn1 32924370 XSGHCXQFXPTQBR-HNNXBMFYSA-N 286.400 3.804 0 40 CHAB O=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)c1cccs1 3165829 XCMNSFWVOPYGHI-OCCSQVGLSA-N 289.400 3.872 0 40 CHAB O=C(NC1CCC(c2ccccc2)CC1)C1CCC1 40070311 CYWIHJSJTXYCBM-UHFFFAOYSA-N 257.377 3.629 0 40 CHAB O=C(NCCSC1CCCC1)c1ccccc1Cl 40082521 RJGVAFYOLQKJOK-UHFFFAOYSA-N 283.824 3.746 0 40 CHAB O=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 157136 CMFHRCNSAHGESP-UHFFFAOYSA-N 257.072 3.952 0 40 CHAB O=C1CS[C@H](c2ccccc2)N1C1CCCCC1 179892 OULICINYPCYJOF-OAHLLOKOSA-N 261.390 3.593 0 40 CHAB O=C(Nc1ccc(Br)cc1)C1[C@@H]2CCCC[C@@H]12 329845 DDIOMJGDTLZALT-VXGBXAGGSA-N 294.192 3.824 0 40 CHAB O=C1[C@H]2CC=CC[C@H]2[C@@H]2c3[nH]c4ccccc4c3CCCN12 517933 XUWVWNMIJTWBHD-RVKKMQEKSA-N 292.382 3.580 0 40 CHAB CCN(C(=O)Nc1ccc(OC)cc1)c1ccccc1 1606218 ADRWKSALRZWBAF-UHFFFAOYSA-N 270.332 3.754 0 40 CHAB O=C(O)c1cccc(F)c1C(=O)c1ccc2ccccc2c1 1722307 NMIQJZPPFGDGRR-UHFFFAOYSA-N 294.281 3.908 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 3012451 JGVYSRRKCKDZLQ-UHFFFAOYSA-N 255.317 3.510 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc(SC)cc1 7475098 NRROEGJVGQAQLY-UHFFFAOYSA-N 287.384 3.978 0 40 CHAB O=C(O)C[C@@H]1c2ccccc2CSc2ccccc21 3619842 MYBCZRPHNGTXMY-CQSZACIVSA-N 270.353 3.899 0 40 CHAB Nn1cc(-c2ccccc2)nc1SCc1cccc(F)c1 4251795 QIUZBINCMNOTEY-UHFFFAOYSA-N 299.374 3.695 0 40 CHAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1F 7407102 RXMMTLNZGGGOIV-UHFFFAOYSA-N 299.223 3.819 0 40 CHAB NC(=O)c1cc(Cl)ccc1OCc1ccccc1Cl 6127772 XMMCMVCCQAIXER-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB CCc1ccc(CCC(=O)Nc2ccccc2F)cc1 8276237 WTJCYHGYNNLHFN-UHFFFAOYSA-N 271.335 3.959 0 40 CHAB O=C(CCSc1ccccc1)NCCCc1ccccc1 10110169 XXHVQKJCQCTQCH-UHFFFAOYSA-N 299.439 3.918 0 40 CHAB C[C@@H](NC(=O)C1CCCC1)c1ccc2c(c1)CCC2 53387282 QOGZWZSSPPKHRR-GFCCVEGCSA-N 257.377 3.543 0 40 CHAB COc1ccc2ccccc2c1[C@@H](CN)N1CCC[C@H](C)C1 108349928 IYHLFVKGPZPWHN-WMLDXEAASA-N 298.430 3.580 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc(F)cc1 513662 KUJDUOYKGHWWRI-UHFFFAOYSA-N 257.308 3.949 0 40 CHAB Cc1ccc(CC(=O)NC(C)(C)CC(C)(C)C)cc1 58504127 CSOONGWVIGEOCJ-UHFFFAOYSA-N 261.409 3.869 0 40 CHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1 22524988 YJLZEVVBMDCDFD-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB COCCCC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 42380630 QMUHCABIYYFDHR-LJQANCHMSA-N 297.398 3.627 0 40 CHAB Cc1cc(Cl)cc(C)c1NC(=O)N(C)[C@H]1CCSC1 104318697 AYIHSHNRYASXJJ-LBPRGKRZSA-N 298.839 3.926 0 40 CHAB NC(=O)c1ccccc1NCc1cccc2ccccc12 12527512 UEATUJYPWGCWNZ-UHFFFAOYSA-N 276.339 3.551 0 40 CHAB Cc1cn2nc(Sc3ccccc3Cl)sc2n1 24829797 JRBLTMJEBXISGU-UHFFFAOYSA-N 281.793 3.904 0 40 CHAB Cc1c(C)n(C)c2ccc(C(=O)Nc3nccs3)cc12 27979343 IZHDBKLDRSDMFO-UHFFFAOYSA-N 285.372 3.504 0 40 CHAB C[C@@H](CNC(=O)NC[C@H](C)c1ccccc1)c1ccccc1 25053670 DGBPBGMPCPPOAD-HOTGVXAUSA-N 296.414 3.893 0 40 CHAB Cc1c(C(=O)N(C)[C@H](C)c2ccncc2)oc2ccccc12 58224042 SRNOYABONGEDDG-CYBMUJFWSA-N 294.354 3.969 0 40 CHAB Clc1nsnc1Oc1ccc(Br)cc1 12739701 SPSBFJYESOGVAO-UHFFFAOYSA-N 291.557 3.746 0 40 CHAB C[C@H]1CCc2c(sc(N)c2C(=O)c2ccccc2)C1 3415972 MOGSGHDYFNBOLC-JTQLQIEISA-N 271.385 3.686 0 40 CHAB CC(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 3479579 BRTUSRZWQQPGKU-UHFFFAOYSA-N 287.746 3.724 0 40 CHAB Cc1ccc(C(=O)O[C@@H](C)CN2[C@@H](C)CCC[C@H]2C)cc1 3904895 VMMIODCQIXEPNU-XHSDSOJGSA-N 289.419 3.803 0 40 CHAB Cc1ccc(C)c(CSc2nc(CC(=O)O)cs2)c1 13415969 RSPQZZKKFHRYHJ-UHFFFAOYSA-N 293.413 3.679 0 40 CHAB CCC(CC)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 8586760 BFKOEJYNDPCWOQ-VIFPVBQESA-N 266.410 3.643 0 40 CHAB O=C1N=C(c2ccccc2)O/C1=C\C=C\c1ccccc1 13778098 UKGCLUWAYXLSTM-SBFJKYRKSA-N 275.307 3.587 0 40 CHAB Cc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)o1 6640611 USNXZIJSNCKXGX-UHFFFAOYSA-N 298.169 3.867 0 40 CHAB CC[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(OC)c1 17022925 UQIZEQISYFSYAH-CYBMUJFWSA-N 292.379 3.500 0 40 CHAB CCOC(=O)[C@H](CC)Oc1cccc(Cl)c1Cl 17007688 CMWUQGPKQKYZGW-VIFPVBQESA-N 277.147 3.714 0 40 CHAB Cc1cc(O)c(C(=O)c2ccccc2)c(C)c1Cl 83152652 DRDNPQVAYNJNLQ-UHFFFAOYSA-N 260.720 3.893 0 40 CHAB O=C(Cc1ccc2ccccc2c1)Nc1ccccc1O 9449639 BHZOFUZOUZFXKF-UHFFFAOYSA-N 277.323 3.727 0 40 CHAB COCCCC(=O)OC(c1ccccc1)c1ccccc1 79329956 MJXGBZNADFDPKZ-UHFFFAOYSA-N 284.355 3.746 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@H](O)C[C@@H]12 34601192 KVUXYQHEESDGIJ-PMSGBEGTSA-N 292.463 3.751 0 40 CHAB in-vitro CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 35381278 UVSWBJNOZMVAQL-UHFFFAOYSA-N 279.261 3.982 0 40 CHAB Cc1ccc(CNCc2ccc(F)cc2F)cc1F 70160128 XVWWTLHQQOGWRD-UHFFFAOYSA-N 265.278 3.702 0 40 CHAB Cc1ccc(F)cc1C(=O)c1c(F)cccc1F 70210361 KSPOFRQTKFSXHS-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB COc1ccc2[nH]cc(C(=O)CC3CCCC3)c2c1 38137919 NMVQAXRAOMUVLP-UHFFFAOYSA-N 257.333 3.940 0 40 CHAB COc1ccc2[nH]c(-c3ccccc3)c(C)c(=O)c2c1 128808992 SIRAJXKSKHATIZ-UHFFFAOYSA-N 265.312 3.512 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(F)c1 78536232 SUCGGFOWDYYZGR-INIZCTEOSA-N 287.334 3.930 0 40 CHAB CC[C@@H](C)c1ccc(OCC[C@H]2CCCNC2)cc1 42773222 QRBPPUWAVHFXJH-HUUCEWRRSA-N 261.409 3.969 0 40 CHAB CCc1ccccc1NC(=O)c1ccc2nsnc2c1 40312006 HTQLIMDYOBRJMA-UHFFFAOYSA-N 283.356 3.506 0 40 CHAB COc1ccc2c(c1)CCC[C@@H]2CNCc1ccccc1 521398161 PDFNVSQFTQBRNC-QGZVFWFLSA-N 281.399 3.905 0 40 CHAB Cc1cccnc1NC(=S)NCc1ccccc1Cl 223933617 ZOMKIDAEGFWDMD-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB CCCCN[C@@H](CC)c1ccc(OC)cc1OC 222635533 RSPWMIVYBGUBER-AWEZNQCLSA-N 251.370 3.545 0 40 CHAB O=C(O)CCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 43214186 AUEWPFHIMKARPQ-UHFFFAOYSA-N 281.522 3.694 0 40 CHAB Cn1c(Cc2ccccc2)nnc1SCc1ccccc1 44177107 QBLCBHZQCPNKCV-UHFFFAOYSA-N 295.411 3.698 0 40 CHAB C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1ccccc1 96318758 DVFVULWSBWKNRS-QZTJIDSGSA-N 294.442 3.781 0 40 CHAB Clc1ccc2nc(N3C[C@H]4CCC[C@@H]4C3)cnc2c1 624031273 BQHPJUNGKSPLAO-GHMZBOCLSA-N 273.767 3.520 0 40 CHAB COc1ccc2c(c1)N(C(C)(C)C(=O)O)C(C)(C)C[C@H]2C 260616396 JYIZLRNCTBRAST-LLVKDONJSA-N 291.391 3.651 0 40 CHAB O=C(NCCc1ccoc1)Nc1cccc(C(F)(F)F)c1 90607465 OZOPMGDOAYPRAM-UHFFFAOYSA-N 298.264 3.663 0 40 CHAB COc1ccc(C(=O)c2ccc(C)c(Cl)c2)c(OC)c1 95916405 CZRRAAQQRRMXNZ-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB N#Cc1c[nH]ccc1=Nc1ccccc1-c1ccccc1 399547482 BEUHGJIGKGBQSI-UHFFFAOYSA-N 271.323 3.786 0 40 CHAB COc1cc(C(=O)C2CCCC2)ccc1Br 390224753 AOXWHTYBDCHLQD-UHFFFAOYSA-N 283.165 3.831 0 40 CHAB O=C(NCCc1ccc(-c2ccoc2)s1)c1ccoc1 390829128 CWMRFNJAPAYRSM-UHFFFAOYSA-N 287.340 3.574 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)C1CCC(n2cccc2)CC1 65551930 FULGOSZGUVVWIU-ZGRYLRDCSA-N 288.435 3.914 0 40 CHAB O=C(Nc1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 16489404 VWBIGBXHXKNARH-KGLIPLIRSA-N 258.365 3.731 0 40 CHAB CSc1ccc2nc(NC(=O)C(C)C)sc2c1 5299141 VDWLHFDLGWIETQ-UHFFFAOYSA-N 266.391 3.613 0 40 CHAB CCOc1ccccc1CNC1C2CC3CC(C2)CC1C3 5907036 VJJHQTIWUBLSRS-UHFFFAOYSA-N 285.431 4.000 0 40 CHAB Cc1cccc(NC(=S)Nc2cccc(F)c2)c1 5939205 RJKVOQIQURAMKC-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1c(C)oc(C)c1C 12916703 YAHQSVISRSXMCM-UHFFFAOYSA-N 261.296 3.905 0 40 CHAB CCCCOc1ccc(C=O)c(OCCCC)c1 19075611 FIZIXTUCOMHSRX-UHFFFAOYSA-N 250.338 3.857 0 40 CHAB Cn1ccc([C@@H]2CCCCCN2Cc2ccccc2F)n1 19291091 VQVKFFMMFXKUPK-KRWDZBQOSA-N 287.382 3.677 0 40 CHAB COC(=O)C1(CCOCc2ccccc2)CCCCC1 309948749 LVCKEODFKBAYBB-UHFFFAOYSA-N 276.376 3.717 0 40 CHAB in-vitro Cn1ncc2c1CCC[C@@H]2NCc1ccc2ccccc2c1 30908716 YJGZLJSRMKPPTC-SFHVURJKSA-N 291.398 3.741 0 40 CHAB CC(C)=C1CC[C@@]2(C)OC(=O)[C@@H](Cc3ccccn3)[C@]12C 4574933 LABKVGSCWMJBSU-NXHRZFHOSA-N 285.387 3.692 0 40 CHAB Cc1cccc(C(=O)Nc2nnc(-c3cccc(C)c3)o2)c1 11613310 MPMPXBUULGMJSW-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB O=C(Nc1nccs1)c1cc(-c2ccc(F)cc2)c[nH]1 49027571 IFAMPIIWVKHNJH-UHFFFAOYSA-N 287.319 3.530 0 40 CHAB CCCCn1c(C)c(C=O)c2cc(OCC)ccc21 217769937 AFEUNNGGSHGXDW-UHFFFAOYSA-N 259.349 3.961 0 40 CHAB Cc1cccc(/C=C/C(=O)N(Cc2ccco2)C2CC2)c1 40060353 OKSSNHYEUAYEHM-JXMROGBWSA-N 281.355 3.792 0 40 CHAB CC(C)(C)c1ccc(CSc2nnc(N)s2)cc1 54232 GUJVXXKPLXMJCP-UHFFFAOYSA-N 279.434 3.710 0 40 CHAB CCc1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 486846 LKSRFMAWAWOKPL-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CC(C)Cc1nnc2sc(-c3ccccc3Cl)nn12 11278505 PXHOOQWFPVLSNQ-UHFFFAOYSA-N 292.795 3.705 0 40 CHAB O=c1c(Cc2c[nH]c3ccccc23)coc2ccccc12 1612524 CCDVJLULHINRDW-UHFFFAOYSA-N 275.307 3.865 0 40 CHAB CCN(CC)CCOC1(Cc2ccccn2)CCCCC1 1675098 LFZMVWXCLSZWIS-UHFFFAOYSA-N 290.451 3.685 0 40 CHAB C[C@@H]([C@@H](O)c1cc2c(c3ccccc13)CCCC2)N(C)C 1706356 SDPZTOYYDSQEQV-ORAYPTAESA-N 283.415 3.702 0 40 CHAB Cn1c(=O)c(SCc2ccccc2)c(O)c2ccccc21 101085560 PDCFQBAQDFMLPH-UHFFFAOYSA-N 297.379 3.536 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(CCO)cc2)o1 40737939 OTMRWSOJPJLIHN-WBMJQRKESA-N 271.360 3.550 0 40 CHAB Cc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1 4939148 MBWGHGUTMSBLLR-UHFFFAOYSA-N 298.396 3.890 0 40 CHAB Cc1ccc(COc2ccc(CNC3CC3)cc2)cc1 20873777 IHPVZDCPLCMVDP-UHFFFAOYSA-N 267.372 3.826 0 40 CHAB Cc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 579325 SKCBZDMVJQEKIO-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB C[C@H]1C(=O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 55483911 IKSGNXSKFBMJLS-QANKJYHBSA-N 265.356 3.668 0 40 CHAB Cc1cc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)no1 23016029 DKHGLEWZYKYPCF-LLVKDONJSA-N 299.330 3.954 0 40 CHAB O=C(OCc1ccccc1)c1cccc(OC(F)F)c1 3169921 YRXVINYYMTXMMB-UHFFFAOYSA-N 278.254 3.645 0 40 CHAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccccc1 54993591 VGLDPRMMLHHHPP-MRXNPFEDSA-N 251.329 3.664 0 40 CHAB Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 37756492 ZTUOEBCSFVHMCP-UHFFFAOYSA-N 263.728 3.630 0 40 CHAB in-vitro Cc1cc(C)cc(NCCc2n[nH]c(CC(C)(C)C)n2)c1 62719029 CCIQVHRRYZWJNB-UHFFFAOYSA-N 286.423 3.665 0 40 CHAB c1cc2c3c(c1)Oc1nc4ccccc4nc1N3CCC2 1432424 BDFCSJGJKUTLRB-UHFFFAOYSA-N 275.311 3.820 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 113945902 DBZOMKMKDQLCJZ-HOTGVXAUSA-N 297.398 3.948 0 40 CHAB CCCc1nc(Cl)n(-c2ccc(Cl)cc2)n1 22125294 XGCNDKUUMFORIL-UHFFFAOYSA-N 256.136 3.527 0 40 CHAB O[C@H](CNCc1ccc(C(F)(F)F)cc1)c1ccccc1 35111609 NZWXINLHBKTCLN-OAHLLOKOSA-N 295.304 3.529 0 40 CHAB Fc1ccc(F)c(-c2csc(NC[C@H]3CCCO3)n2)c1 12616339 SEJHPQAAJUNQCV-SNVBAGLBSA-N 296.342 3.679 0 40 CHAB S=C(NCc1ccccc1)Nc1cccc2cnccc12 3362358 RZUSMBUUTPOWAJ-UHFFFAOYSA-N 293.395 3.721 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)o1 10029992 VKFAHNNICFPCSR-UHFFFAOYSA-N 299.248 3.781 0 40 CHAB COc1cccc2cc([C@H](C)NCc3cccc(O)c3)oc12 58169169 HGEAMNDMGQPFCJ-LBPRGKRZSA-N 297.354 3.998 0 40 CHAB Cc1nc(-c2ccc(CNC(=O)C3CCC3)cc2)cs1 12937333 NKFASOWGHFZBTK-UHFFFAOYSA-N 286.400 3.535 0 40 CHAB COc1ccc(NC(=O)C2(c3ccccc3)CC2)c(C)c1 171303738 SHEJHMYSONAJBC-UHFFFAOYSA-N 281.355 3.674 0 40 CHAB Fc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1 3656326 ZVOKHAPDOQUTCM-UHFFFAOYSA-N 296.330 3.659 0 40 CHAB COc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccccc12 49580948 GMCKZEHFYUNGTD-KBPBESRZSA-N 297.398 3.967 0 40 CHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2C1 4176936 NTOILMVFBNUTNC-UHOFOFEASA-N 293.366 3.765 0 40 CHAB C/C(=C\c1ccccc1)C(=O)N[C@@H](C)Cc1ccccc1 16576624 OENXRHLZCXGHJF-MDJJKAFGSA-N 279.383 3.837 0 40 CHAB CC(C)n1nccc1NC(=O)c1ccc(F)cc1Cl 69057097 KPYOGYYGABLOOA-UHFFFAOYSA-N 281.718 3.509 0 40 CHAB Cc1cc2ncn(-c3ncnc4sccc34)c2cc1C 6831467 ZTCVLBXWHHGCOO-UHFFFAOYSA-N 280.356 3.647 0 40 CHAB C[C@@]12CCC[C@@]1(O)[C@@H]1CC=C3C[C@H](O)CC[C@]3(C)[C@H]1CC2 118914953 HSOALUOHWZYSOE-UWVPOSKDSA-N 290.447 3.815 0 40 CHAB COCc1nc(CN(C)[C@@H](C)c2ccccc2F)cs1 72304863 HZBSFUSUFXCNET-NSHDSACASA-N 294.395 3.622 0 40 CHAB COc1ccccc1[C@@H](CC(C)C)NC1CCOCC1 95968814 JGWAKCAPKNBOAA-MRXNPFEDSA-N 277.408 3.551 0 40 CHAB CCCOc1ccc(Cl)cc1/C=C/C(=O)OCC 72209050 VQPULSYZFUSNDQ-VMPITWQZSA-N 268.740 3.705 0 40 CHAB CC(=O)O[C@H](CCC(=O)c1ccccc1)c1ccccc1 3847940 BIKSEOXVNPFDBE-GOSISDBHSA-N 282.339 3.954 0 40 CHAB biogenic CCCC[C@@H](CC)C(=O)NCCc1cccs1 71415912 YSEVKJCLZXAMII-GFCCVEGCSA-N 253.411 3.623 0 40 CHAB FC(F)(c1ccccc1)C(F)(F)c1ccccn1 72265833 BRXRIKUZMGVZHN-UHFFFAOYSA-N 255.214 3.965 0 40 CHAB COc1ccc(CC(=O)c2ccc(F)cc2C)cc1 55199844 LIAHEIYSIMXUEV-UHFFFAOYSA-N 258.292 3.568 0 40 CHAB CC(C)(C)Sc1ccc([C@@H]2CCCCN2C=O)cn1 72217393 QYZRKGUXGPRHQW-ZDUSSCGKSA-N 278.421 3.656 0 40 CHAB CC[C@@H](O)c1cnc(N2CCc3ccccc32)cc1C 72223946 SBILEGRDEDXRER-MRXNPFEDSA-N 268.360 3.528 0 40 CHAB CC(C)[C@H](C)NC(=O)CSCc1ccccc1Cl 225185003 XCOJOWIEZNKUFE-NSHDSACASA-N 285.840 3.734 0 40 CHAB CCCCc1ccc(C(=O)c2cccc(C)n2)cc1 45028492 VMONWVCDIYHLJK-UHFFFAOYSA-N 253.345 3.964 0 40 CHAB Cc1noc(C)c1CN1CCC[C@@H]1c1ccsc1 46089361 QPRIYYBDMORMML-CQSZACIVSA-N 262.378 3.690 0 40 CHAB CCN(CCCC(=O)O)c1cc(Cl)cc(Cl)c1 224995694 WUNOMVSDNYIURL-UHFFFAOYSA-N 276.163 3.685 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)Cc1cccs1 49930422 GBUHMKGDDSDBRB-UHFFFAOYSA-N 279.792 3.603 0 40 CHAB CC(C)Oc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1 226273473 UHMNGPSYODCIKR-ZDUSSCGKSA-N 299.370 3.779 0 40 CHAB CCCCOc1ccc(NC(=O)C(C)(C)OCC)cc1C 225648160 MGKIODOLAWJBDQ-UHFFFAOYSA-N 293.407 3.928 0 40 CHAB O[C@H]1CC2(CCC2)Sc2cc(Br)ccc21 238723758 VINKJDAMETWNJP-JTQLQIEISA-N 285.206 3.901 0 40 CHAB CN1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257276341 NTGVYOVBMCDWFQ-AWEZNQCLSA-N 276.767 3.686 0 40 CHAB CN(C)c1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1 95916285 CGSVDYAMVKYGME-UHFFFAOYSA-N 277.726 3.776 0 40 CHAB CC[C@@H](c1ccccc1)c1nc(-c2ccc(N)cc2)n[nH]1 642882630 WPOXFZIHYNMEGW-HNNXBMFYSA-N 278.359 3.596 0 40 CHAB O[C@@H](CC1CC1)C1(c2ccc(Cl)cc2)CCC1 575411036 XNGJQZWNVSUBOW-AWEZNQCLSA-N 250.769 3.923 0 40 CHAB CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 89904931 PPRKCNBHOQGENK-CYBMUJFWSA-N 298.386 3.694 0 40 CHAB CCOC(=O)c1sc(Nc2cc(C)ccc2C)nc1C 6367303 FUCCIUGWQHZEIE-UHFFFAOYSA-N 290.388 3.989 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CNC(=O)C[C@]3(C)[C@@H]1CC2 5275749 BPIRFNVICIHJMC-GQBYMUMSSA-N 275.436 3.755 0 40 CHAB CCC[C@@H](NC(=O)c1ccnn1C(C)C)c1cccs1 12146570 YGRWREDHIJDGKC-GFCCVEGCSA-N 291.420 3.797 0 40 CHAB CN(C(=O)c1ccccc1)c1ccc(N2CCCC2)cc1 13668547 RHHDGMNTGSIUOF-UHFFFAOYSA-N 280.371 3.563 0 40 CHAB O=C(c1ccc(F)cc1)N1CCC[C@@H]2CCCC[C@@H]21 16400816 PMNCNDZGZYIUID-WFASDCNBSA-N 261.340 3.621 0 40 CHAB Fc1ccc(-c2n[nH]cc2-c2ccncc2)cc1Cl 19293162 QQVNBXBVKFVKFZ-UHFFFAOYSA-N 273.698 3.931 0 40 CHAB CCCCC[C@H](/C=C/C(=O)OCC)O[C@H]1CCCCO1 1857788558 GSEOPYZMKPSQQR-YQNRRXMVSA-N 284.396 3.598 0 40 CHAB C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(C(C)(C)C)cc1 40108702 QWVGDYVMXLWVMY-XJKSGUPXSA-N 289.419 3.730 0 40 CHAB c1ccc(CNc2ccc(Nc3ccccc3)nn2)cc1 577134 FGRBWTFCNCPLNH-UHFFFAOYSA-N 276.343 3.832 0 40 CHAB c1ccc(-c2nc3sc(-c4ccccn4)nc3s2)nc1 1666409 PRTPNAVYWDJTOH-UHFFFAOYSA-N 296.380 3.877 0 40 CHAB C[C@H]([C@@H](O)c1cc2c(c3ccccc13)CCCC2)N(C)C 1706357 SDPZTOYYDSQEQV-BFUOFWGJSA-N 283.415 3.702 0 40 CHAB CCCn1c([C@@H](O)c2ccccc2)nc2ccccc21 255254 NBYCNYJPSJAJSL-INIZCTEOSA-N 266.344 3.528 0 40 CHAB CCOc1ccccc1Nc1c(N)oc(=O)c2ccccc12 101426137 HKCFPRBSSCNMNZ-UHFFFAOYSA-N 296.326 3.518 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(F)ccc2C)c1C 2622877 VUPBQPQJZHDLKM-UHFFFAOYSA-N 288.322 3.534 0 40 CHAB CC(C)CC(=O)NCc1ccnc(Oc2ccccc2)c1 32930534 FUDWAIYARWVYAI-UHFFFAOYSA-N 284.359 3.536 0 40 CHAB C[C@H]1CCCCN1C(=O)Cc1coc2cc3c(cc12)CCC3 32968924 SKDJIUGEGTYZEO-ZDUSSCGKSA-N 297.398 3.865 0 40 CHAB NC1(Cc2ccc(Br)cc2)CCCCC1 37463452 NRHDLICZUZLWMI-UHFFFAOYSA-N 268.198 3.653 0 40 CHAB in-vitro FC(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 47212659 YKVHFNLVKASHAS-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB C[C@H](NC(=O)c1cccnc1Sc1ccccc1)C1CC1 23040528 JPAPKGHDYCJEFW-LBPRGKRZSA-N 298.411 3.761 0 40 CHAB Cc1cccc(NC(=O)Nc2c(C)n[nH]c2C)c1Cl 89872533 IHELIWUEWVSJEF-UHFFFAOYSA-N 278.743 3.632 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 23444637 CUKUTDCKXRFSKO-HOTGVXAUSA-N 297.398 3.682 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)NC1CCCCCC1 12551988 YETJUOPPOQGXKG-UHFFFAOYSA-N 284.403 3.940 0 40 CHAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1[nH]nc(C2CC2)c1C 76989892 VGTQUBDMRFALBI-LSDHHAIUSA-N 295.386 3.646 0 40 CHAB c1ccc2oc(Oc3ccc(-n4ccnc4)cc3)nc2c1 48301278 NLIAKVUQAMRVCF-UHFFFAOYSA-N 277.283 3.806 0 40 CHAB O=C(NC1CCCCCC1)c1cc2cc(F)ccc2[nH]1 12880833 QXZVCHFENXUXDA-UHFFFAOYSA-N 274.339 3.760 0 40 CHAB CCc1ccccc1NCC(=O)Nc1ccc(F)c(F)c1 3504516 BJOMEEFREVVAPJ-UHFFFAOYSA-N 290.313 3.578 0 40 CHAB COc1cccc(C(=O)Nc2cc(-c3ccccc3)no2)c1 8612347 QTGPRPZDUWZSRU-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB COc1ccc2sc(NCc3ccccc3)nc2c1 4359831 ZEIIQWUVDVGXOK-UHFFFAOYSA-N 270.357 3.917 0 40 CHAB Cc1ccnc(NC(=O)c2cccc(C(F)(F)F)c2)c1 6276370 VYEHYTAFILQRHZ-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB Cc1cc(C)c(NC(=O)c2c(C)noc2C)c(Cl)c1 6509611 MUZWNQFOALKUPJ-UHFFFAOYSA-N 278.739 3.814 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1C[C@@H](C)C[C@H](C)C1 4871746 UEQWWPMREGCWDQ-STQMWFEESA-N 284.403 3.637 0 40 CHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)C1(c2ccccc2)CCC1 67512954 BXLLLBZWPBCJGF-QZTJIDSGSA-N 291.394 3.781 0 40 CHAB COc1ccc2ncc(-c3cccc4c3CCNC4)cc2c1 71681243 LJPVWKGXRGSDPV-UHFFFAOYSA-N 290.366 3.556 0 40 CHAB O=C(O)c1sccc1NC(=O)c1cccc2ccccc12 19803441 MCFYEPNEHBNMGZ-UHFFFAOYSA-N 297.335 3.852 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c(C)c1 24894912 CSOFGODKWSUFKV-UHFFFAOYSA-N 291.354 3.946 0 40 CHAB Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NC2CC2)cc1 84148726 UTWKJICKIWLHKW-BBRMVZONSA-N 272.392 3.640 0 40 CHAB Cc1cccc(CN[C@H]2CC(C)(C)Cc3occc32)n1 97016575 YFFFFTVHTZUEJG-HNNXBMFYSA-N 270.376 3.786 0 40 CHAB Cc1ncoc1C(=O)N[C@@H](C)c1ccc2ccccc2c1 72310034 GNHAVGUCBHVHJH-NSHDSACASA-N 280.327 3.627 0 40 CHAB Fc1ccccc1CCN[C@@H](Cc1ccccc1)C(F)F 95455497 ZUBKYVSNRSMNPD-INIZCTEOSA-N 293.332 3.834 0 40 CHAB CCOc1cccc(CNC(=O)Cc2cc(C)ccc2C)c1 20110690 MBRODWIPUSCIBP-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB Cc1ccc2oc(=O)c(-c3ccc(O)cc3)c(C)c2c1 57837 VHDNSQUTVWULEW-UHFFFAOYSA-N 266.296 3.782 0 40 CHAB biogenic COC(=O)c1cc2scc(Br)c2s1 1525635381 UWZRPSOQRMUSSG-UHFFFAOYSA-N 277.164 3.512 0 40 CHAB O=C(C1CCCCC1)N1CCC[C@@H]1c1cccs1 33028510 OZHHRRFEGDXKQQ-CYBMUJFWSA-N 263.406 3.992 0 40 CHAB COc1ccc([C@@H]2CCCCN2CC(C)C)c(C)n1 72218098 KNAMMSCLYHKFRE-HNNXBMFYSA-N 262.397 3.582 0 40 CHAB COc1ccc(-c2cc(Cl)nc(C3CC3)n2)cc1 78401395 MOEKAMDDCXNXNI-UHFFFAOYSA-N 260.724 3.683 0 40 CHAB Fc1ccc(-c2cc(Cl)nc(-c3cccnc3)n2)cc1 78401316 XXDJOIGCVGVSOV-UHFFFAOYSA-N 285.709 3.998 0 40 CHAB C[C@](C(=O)O)(c1ccc(Cl)cc1)N1CCCCCC1 41661001 FCEDOAMCQVXFES-OAHLLOKOSA-N 281.783 3.516 0 40 CHAB Cc1cc(Br)ccc1OCC[C@@H]1CCCNC1 42773786 CORVFSZBCFMOHE-LBPRGKRZSA-N 298.224 3.526 0 40 CHAB Cc1ccc(C(=O)c2ccccc2C(F)(F)F)cn1 45029057 HTQTUHQTGPISPQ-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB COc1ccc(N(C)C(=O)c2cccc3[nH]ccc23)cc1F 89364971 BLSAJMPWVAPVDF-UHFFFAOYSA-N 298.317 3.592 0 40 CHAB COc1ccc(C(=O)c2ccc(SC)cc2)cc1OC 89064216 DXLCMIBIAMSHFM-UHFFFAOYSA-N 288.368 3.657 0 40 CHAB CCc1c(C2CC2)[nH]c2ccc(SC)cc2c1=O 685938269 OACVGFOKJXXQLD-UHFFFAOYSA-N 259.374 3.690 0 40 CHAB CC[C@H](C)OCCC(F)(F)C(F)(F)Br 1083809204 XYGRVETVFXWPGQ-LURJTMIESA-N 281.087 3.815 0 40 CHAB O=C1CCc2cc(C(F)(F)F)c(Br)cc21 1775937826 WDBIFIDVPCVPEE-UHFFFAOYSA-N 279.055 3.597 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 13613848 WYLNVEYHKHBZEV-LSDHHAIUSA-N 295.382 3.740 0 40 CHAB Cc1ccccc1CSCC(=O)N1CCc2ccccc21 13675259 SYCKQCHNYABPPU-UHFFFAOYSA-N 297.423 3.818 0 40 CHAB Cc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1C 16211948 FFKIOYGCRMVTLW-GZBFAFLISA-N 274.433 3.778 0 40 CHAB CCCCOCC[C@](F)(Cl)C(F)(F)Cl 4329278 XSOXUCDHVXCXMG-SSDOTTSWSA-N 253.091 3.929 0 40 CHAB biogenic F[C@@]1(Br)[C@H]2[C@H]1[C@H]1[C@H]3C=C[C@@H]([C@@H]1C21CC1)C31CC1 106920243 PQVHWNNEXXKKEF-KFMAZYBSSA-N 295.195 3.915 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CCc2ccccc2C1 29236 AFLIBHSYRRBBBP-UHFFFAOYSA-N 271.747 3.539 0 40 CHAB CCCNc1cc(C)nc2c(C)c(-c3ccccc3)nn12 40216672 WOHQOHGHELYZNU-UHFFFAOYSA-N 280.375 3.835 0 40 CHAB CC(=O)c1cccc(NC(=O)c2ccc3c(ccn3C)c2)c1 40266384 BKMWKJMPDMUDNH-UHFFFAOYSA-N 292.338 3.633 0 40 CHAB c1ccc2[nH]c(Sc3ncnc4ccccc34)nc2c1 99386 RDSIHQLDHVOBIK-UHFFFAOYSA-N 278.340 3.657 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2OC(F)F)[C@@H]1C 36696903 OZFXERIGQHVFNP-NQBHXWOUSA-N 297.345 3.843 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 4023797 CBMYJHIOYJEBSB-LFJLJVMTSA-N 292.463 3.751 0 40 CHAB endogenous,in-man CCCCC(=O)OCCCCCOC(=O)CCCC 4722485 VVMZCGSMNLOYEU-UHFFFAOYSA-N 272.385 3.624 0 40 CHAB CC[C@H](Nc1ncnc2[nH]cnc12)c1ccc(Cl)cc1 51618916 WEQDKSWNQQHQAL-NSHDSACASA-N 287.754 3.570 0 40 CHAB CN(c1ccccc1)c1cccc(Br)n1 343333 GLCYCZAVMZSRIY-UHFFFAOYSA-N 263.138 3.612 0 40 CHAB CCCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O 383261 GJHYBWSQPJJAAT-UHFFFAOYSA-N 290.366 3.987 0 40 CHAB CC(=O)Nc1nc(CSCc2ccccc2)cs1 21327102 AIHSTYVYWKWZJQ-UHFFFAOYSA-N 278.402 3.535 0 40 CHAB Fc1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1 32739696 PAMQYQMAFMVRHH-UHFFFAOYSA-N 289.379 3.922 0 40 CHAB Cc1ccc(CC(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1 29799409 CJZQVPNCNMGTGU-UHFFFAOYSA-N 291.354 3.566 0 40 CHAB Nc1cc(C2CCCCC2)nn1-c1ccc(F)cc1 41344963 WDGFLQWAAYJAJZ-UHFFFAOYSA-N 259.328 3.641 0 40 CHAB Cc1ccc(-c2csc3ncnc(N4CCC4)c23)cc1 23618397 SWNGEYFEDNRIOM-UHFFFAOYSA-N 281.384 3.877 0 40 CHAB O=S(=O)(/C=C/c1ccccc1)c1ccc(Cl)cc1 3185882 XFKKDQDMHNCJRT-ZHACJKMWSA-N 278.760 3.785 0 40 CHAB Cn1nc(-c2ccccc2)c([C@H](O)c2ccccc2)c1Cl 1388815 JHDGCHUAGSRJDI-MRXNPFEDSA-N 298.773 3.822 0 40 CHAB Clc1nnc(Cc2ccccc2)c2ccccc12 1393427 COIJTZLLJUXFNV-UHFFFAOYSA-N 254.720 3.874 0 40 CHAB Cc1ccccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 24980103 BILCAKNAGGAWHF-NEPJUHHUSA-N 285.309 3.846 0 40 CHAB COCc1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 25336024 QGHVIRVTOFRXQC-UHFFFAOYSA-N 299.345 3.642 0 40 CHAB O=C(CCc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 25439936 LDJKRIIFHNVBDW-GOSISDBHSA-N 297.373 3.952 0 40 CHAB O=C(O)c1cccc(Nc2ccnc3ccccc23)c1 26507757 MDQBSTWWUBAUTR-UHFFFAOYSA-N 264.284 3.677 0 40 CHAB Cc1nc(CN2[C@H](C)Cc3cc(F)ccc3[C@H]2C)oc1C 108155491 HTCQZYJMNAHINT-ZYHUDNBSSA-N 288.366 3.938 0 40 CHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NC1CC1 12972392 FBEAGOHLBKOCJI-MRVPVSSYSA-N 287.190 3.858 0 40 CHAB CC1CCN(CCC(=O)Nc2ccc3ccccc3c2)CC1 5485618 HYFZSAWLUUPJQB-UHFFFAOYSA-N 296.414 3.900 0 40 CHAB O=C(O)c1cc2sccc2n1CC1CCCCC1 4986655 TUCHVYGTKMISKG-UHFFFAOYSA-N 263.362 3.981 0 40 CHAB Cc1noc(C)c1[C@H](C)NCc1coc(-c2ccccc2)n1 95409652 WCZIPNVKQJDOBV-NSHDSACASA-N 297.358 3.797 0 40 CHAB CC(C)(C)[C@H](OC(=O)CCc1cscn1)C(F)(F)F 89488375 YZHFNJJQEGZOLJ-JTQLQIEISA-N 295.326 3.596 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2cccc(C)c2)cc1 30753836 WCFZCXVEHMGVKF-CQSZACIVSA-N 253.345 3.794 0 40 CHAB CC[C@@H](N)c1cnc(Sc2ccccc2)cc1C 72223189 PIJLTQXFNZPZDW-CQSZACIVSA-N 258.390 3.951 0 40 CHAB Cc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72211324 GIAUYXUSPPBABA-KRWDZBQOSA-N 280.371 3.757 0 40 CHAB Cc1cc([C@@H]2CCCCN2C(C)C)cnc1N1CCCC1 72218820 UEMCCGXZFJMUHD-KRWDZBQOSA-N 287.451 3.926 0 40 CHAB CC(C)N(c1ccc([C@H]2CCCCN2)cn1)C(C)C 72212969 ZWNKSMJLBPIEFF-OAHLLOKOSA-N 261.413 3.519 0 40 CHAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1Cl 40114249 QWSXWZTWTZQEOQ-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB Cc1cc(F)ccc1NC(=O)NC1CCCCCC1 40103565 SAQAVARJBIKFFI-UHFFFAOYSA-N 264.344 3.978 0 40 CHAB CCOc1cccc(NC(=O)c2cc(C)ccc2C)c1 48806097 BYEVTTAUMIQKRC-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB Cc1ccc(OCC(=O)Nc2c(C)cc(N)cc2C)c(C)c1 45890170 WFTTYVGHDLAEBA-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB CCc1cc(NC(=O)c2oc(C)nc2C)c2ccccc2n1 97380170 RQVIBWRKDUIPLZ-UHFFFAOYSA-N 295.342 3.654 0 40 CHAB CC(C)CSC[C@@H](C)N[C@@H](C)c1ccncc1 95419213 JNGLMTALZAJMGS-OLZOCXBDSA-N 252.427 3.510 0 40 CHAB Cc1cc(F)ccc1C(=O)c1ccc(F)c(F)c1F 89064292 JPRMYMAEEXZQEX-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB COc1ccc(F)cc1C(=O)c1ccc(SC)cc1 92210638 YCVPSEGSCLJQGK-UHFFFAOYSA-N 276.332 3.787 0 40 CHAB CCc1c(C2CC2)[nH]c2cc(Br)ccc2c1=O 685938357 JKFKKOQGTZVKNQ-UHFFFAOYSA-N 292.176 3.730 0 40 CHAB FC(F)COc1ccnc2ccc(Br)cc12 685937242 DCLHRWAUZIOTED-UHFFFAOYSA-N 288.091 3.641 0 40 CHAB N[C@@H](c1ccc(Cl)cc1)c1cccc(F)c1F 54189537 HVHQSZYLAHWOAN-ZDUSSCGKSA-N 253.679 3.666 0 40 CHAB C[C@@H]1C[C@@H](C)CN(Cc2cc(Cl)cc3c2OCOC3)C1 16695543 FWNWUVHKTALMLV-VXGBXAGGSA-N 295.810 3.684 0 40 CHAB CN(CCCCCCCCCO)C(=O)OC(C)(C)C 117539050 KQHXQVSNCWULPB-UHFFFAOYSA-N 273.417 3.576 0 40 CHAB Fc1ccccc1/C=C\c1cnnc2ccccc12 17324623 YJVHQZFTKLOCMF-KTKRTIGZSA-N 250.276 3.939 0 40 CHAB [O-][n+]1ccccc1SCc1cc(Cl)sc1Cl 159671 NRWTXDKJZDIDST-UHFFFAOYSA-N 292.212 3.981 0 40 CHAB CCc1noc(C)c1C(=O)N[C@@H](C)c1cc2ccccc2o1 26386566 BJGCDFGLWSWPMV-JTQLQIEISA-N 298.342 3.783 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)s1 30690100 MRQVCRQWXCQMRV-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB CC(C)=CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 30870519 VLVJYSQVFNKJII-UHFFFAOYSA-N 294.326 3.993 0 40 CHAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1cccs1 111945 IKCFXYAFHJDYLF-GFCCVEGCSA-N 292.400 3.892 0 40 CHAB COc1cccc2sc(N3CCc4ccccc4C3)nc12 4137844 USMQMNWLMLJMEQ-UHFFFAOYSA-N 296.395 3.868 0 40 CHAB CCc1cccc(CC)c1NC(=O)N[C@H](C)C(C)C 40023874 MLFOGOLCPQRXJK-GFCCVEGCSA-N 262.397 3.977 0 40 CHAB CCCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21 100498535 VJRTWEUTEIJBQW-UHFFFAOYSA-N 279.339 3.784 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccccc1 109990 UPYKIIGOMZSOGX-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB Clc1ccc2c(c1)-c1ccccc1C1=NCCN12 1726348 KMDWKSYBWOTXEV-UHFFFAOYSA-N 254.720 3.587 0 40 CHAB O=C(S[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 2028271 IBAVVKIKJIGYEX-CQSZACIVSA-N 278.760 3.905 0 40 CHAB CCNc1nnc(-c2ccc(C(C)(C)C)cc2)s1 4992811 DMJLWKVLJRCIJD-UHFFFAOYSA-N 261.394 3.934 0 40 CHAB CC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 7718724 ZWIWFPRJZBDBKT-AWEZNQCLSA-N 297.354 3.604 0 40 CHAB CC(C)C(=O)N(Cc1ccccc1)Cc1ccccc1 302192 SEXRCGYUTZHHOX-UHFFFAOYSA-N 267.372 3.871 0 40 CHAB CC(C)(C)c1csc(Cn2ccnc2-c2ccccn2)n1 89725252 MGINJOPEZYGKMF-UHFFFAOYSA-N 298.415 3.747 0 40 CHAB CCCN1C(=O)N(c2cccc(C)c2)[C@](C)(O)CC1(C)C 500769 FOTASIVLDPUVDI-QGZVFWFLSA-N 290.407 3.524 0 40 CHAB Cc1ccc(CN(C)C(=O)c2cc3ccccc3cc2O)o1 23496123 DAIIPNSQKHMXGH-UHFFFAOYSA-N 295.338 3.719 0 40 CHAB CCOc1ccc(C(=O)O)cc1COc1cccc(C)c1 24548903 DVBVHVMMJMKOKO-UHFFFAOYSA-N 286.327 3.671 0 40 CHAB C[C@H](c1ccccn1)N(C(=O)c1cccs1)C1CC1 47177889 VIOCPSJYVZKPOT-LLVKDONJSA-N 272.373 3.509 0 40 CHAB Cc1cc(C)n(-c2nc(-c3cccs3)cs2)n1 1393563 YPLWDPVNLMKTST-UHFFFAOYSA-N 261.375 3.674 0 40 CHAB Cc1ccsc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 28225731 BBIORMIEOXGLFU-MRVPVSSYSA-N 292.429 3.890 0 40 CHAB O=C(NC1CCCC1)c1ccccc1OCc1ccccc1 3235504 GCJYJXGHFYDHPZ-UHFFFAOYSA-N 295.382 3.938 0 40 CHAB CC(C)[C@H](NC(=O)NC1CCCC1)c1ccccc1 10036175 XHAKVWNTLXVQHF-HNNXBMFYSA-N 260.381 3.626 0 40 CHAB CC(=O)Nc1ccc(-c2nc(NC3CC3)sc2C)cc1 10109334 IIDOPWQTFMCGQG-UHFFFAOYSA-N 287.388 3.651 0 40 CHAB O=C(c1ccsc1)N(Cc1cccs1)C1CC1 36397900 RZINCUUULWZXEY-UHFFFAOYSA-N 263.387 3.614 0 40 CHAB Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 12928475 LURIRASEFXNNSA-UHFFFAOYSA-N 289.338 3.704 0 40 CHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nccs1 3549570 DJWMDFBMNVVDEL-SECBINFHSA-N 296.779 3.511 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)o1 3556147 HUYMGZFSMOFABU-MDZDMXLPSA-N 267.328 3.729 0 40 CHAB CCOc1ccc2ccccc2c1C(=O)N[C@H](C)CC 8382838 UTNJYMKQBXDQBH-GFCCVEGCSA-N 271.360 3.767 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(F)c(F)c1 13008454 PPBUZWDYDSHEET-JTQLQIEISA-N 273.282 3.556 0 40 CHAB Cc1cc(C(=O)N(CC2CC2)[C@@H](C)c2ccccc2)no1 69771901 FJFLQKRSLHPTER-ZDUSSCGKSA-N 284.359 3.596 0 40 CHAB O=C1CCC[C@@]2(C1)CC(=O)c1sc3ccccc3c1O2 6243921 TYCHUZRIKKQSAC-MRXNPFEDSA-N 286.352 3.748 0 40 CHAB Clc1ccc(O[C@@H]2CCCNC2)c2ccccc12 14631784 AMVSVXLRTIMQLA-LLVKDONJSA-N 261.752 3.624 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCCC(C)(C)C1 4834843 GNDSFIXNXWKBFP-UHFFFAOYSA-N 284.403 3.781 0 40 CHAB Cc1csc(NC(=O)c2cc3ccccc3s2)n1 7063274 KMKMQICERGJAKU-UHFFFAOYSA-N 274.370 3.919 0 40 CHAB CN(Cc1ccccc1)c1ccc(C(F)(F)F)cc1N 19803461 NZPHPTNYMUQSFS-UHFFFAOYSA-N 280.293 3.924 0 40 CHAB O=C(c1cccc(OC(F)F)c1)C(Cl)(Cl)Cl 309374727 UPZNJXGJKSKOJU-UHFFFAOYSA-N 289.492 3.841 0 40 CHAB Nc1ccc2nc(Cc3ccc(Cl)cc3)oc2c1 20423942 VYRCQXUCTTYKTB-UHFFFAOYSA-N 258.708 3.654 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2N 118913471 SXFQJBRXNODJBV-QAZMUZRASA-N 289.463 3.637 0 40 CHAB CCCOc1ccccc1C(=O)OCC(=O)c1ccccc1 408588312 VNZQBDCKOAZLBY-UHFFFAOYSA-N 298.338 3.515 0 40 CHAB Cc1nc(N)sc1Cc1ccc(C(F)(F)F)cc1 35250887 OHXRWMKRZKTADY-UHFFFAOYSA-N 272.295 3.643 0 40 CHAB O=C(O)/C=C\c1ccc(-c2ccccc2OC(F)(F)F)o1 33376768 NZKLTODPPZSQAT-VURMDHGXSA-N 298.216 3.943 0 40 CHAB CCOc1cc2nccc(Cl)c2cc1OCC 35731062 HIRSCIYUFWGGGK-UHFFFAOYSA-N 251.713 3.686 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC(C)C 216306050 BBDDRWQSOUHVLA-HNNXBMFYSA-N 277.408 3.623 0 40 CHAB Cc1cccc(C2(CN[C@@H](C)c3nnc(C)o3)CCCC2)c1 79030499 UFXXTHJHRBZDFP-AWEZNQCLSA-N 299.418 3.849 0 40 CHAB Cc1cccc(CSCCNC(=O)c2ccccc2)c1 219038265 GLOITSQCNZYIFC-UHFFFAOYSA-N 285.412 3.658 0 40 CHAB C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1cccc(F)c1 78556130 HNPPDHZNYINYHN-JEOXALJRSA-N 280.339 3.975 0 40 CHAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccsc1 72221714 FZKDENNFWNHYQV-UHFFFAOYSA-N 283.393 3.626 0 40 CHAB CC[C@@H](N)c1ccc(SC2CCCCC2)nc1 72225728 ZLHOQDYKWPOVAX-CYBMUJFWSA-N 250.411 3.916 0 40 CHAB CCCCNC(=O)CCc1c(Cl)cccc1Cl 225351092 UPBZNQNOBYJNLX-UHFFFAOYSA-N 274.191 3.842 0 40 CHAB Cc1ccc(C(=O)NCC2=CCCCC2)c(Cl)c1 225003956 VKJWBRBXBBBCHS-UHFFFAOYSA-N 263.768 3.879 0 40 CHAB CCOc1ccc(C(=O)O)cc1COCc1ccccc1 224743793 OMCMACIAHDRIRR-UHFFFAOYSA-N 286.327 3.500 0 40 CHAB CC(C)NC(=O)c1ccc(N[C@H](C)c2ccccc2)c(N)c1 225413053 JSUFJNGFSMQYON-CYBMUJFWSA-N 297.402 3.580 0 40 CHAB Cc1n[nH]c(C)c1CNc1cccc(Oc2ccccn2)c1 195555806 GYRHNYNRNNNFDS-UHFFFAOYSA-N 294.358 3.826 0 40 CHAB CCCN1c2cc(OC)c(C(=O)O)cc2C(C)=CC1(C)C 223794943 CHKCWKCETDAMEN-UHFFFAOYSA-N 289.375 3.805 0 40 CHAB CN(C(=O)C1CCCCC1)C1C2CC3CC(C2)CC1C3 97211415 JOSRKQVENOWKDQ-UHFFFAOYSA-N 275.436 3.850 0 40 CHAB CCCN(CC)c1ccc(Br)cc1F 95915692 OLOVDCYYXUVSNS-UHFFFAOYSA-N 260.150 3.825 0 40 CHAB C[S@@](=O)Cc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1 92170671 JZUJXHILRZARIQ-VPWXQRGCSA-N 291.460 3.946 0 40 CHAB Cc1cc(C)c(NS(=O)(=O)c2ccccc2C)c(C)c1 364070 RZYYSNXFSPSJOF-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB Cc1cs/c(=N/[C@@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)o1 4426892 HGVTVYHFXJHDNH-BPTSONKBSA-N 251.395 3.765 0 40 CHAB CCC[C@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1 32795118 UGGBRVZKTIFJEN-QWRGUYRKSA-N 268.788 3.889 0 40 CHAB CCOC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 44200382 UWLACOVHZRHEIV-UHFFFAOYSA-N 286.171 3.901 0 40 CHAB Oc1ccc(CNc2cccc(F)c2)c2cccnc12 75144 YPZYDQZJABDHQW-UHFFFAOYSA-N 268.291 3.692 0 40 CHAB O=C1CS[C@H](c2ccc(F)cc2)N1c1ccccc1 179934 JAOJXAPKRUBUGQ-OAHLLOKOSA-N 273.332 3.604 0 40 CHAB CCOc1ccc([C@@](O)(CC)CCN2CCCCC2)cc1 201370 DDZMHXQGKGEGKL-GOSISDBHSA-N 291.435 3.559 0 40 CHAB O=C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 3200118 OGEJORKZBLPIJW-UHFFFAOYSA-N 293.410 3.710 0 40 CHAB CCCCn1c(C)c(C(=O)OCC)c2cc(OC)ccc21 4785949 IYRWACIRTUHTIV-UHFFFAOYSA-N 289.375 3.935 0 40 CHAB COc1ccccc1C1=Nc2ccccc2NCC1 6733608 OWACPNUBCRFYHL-UHFFFAOYSA-N 252.317 3.632 0 40 CHAB Cc1cc(=O)c2c(C3CCCC3)nn(-c3ccccc3)c2[nH]1 32714674 YYRJBAKPGWOWEG-UHFFFAOYSA-N 293.370 3.680 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1 8076710 HWDZTPJUIVHFEY-UHFFFAOYSA-N 278.311 3.623 0 40 CHAB COC(=O)C[C@]1(C)O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21 102806702 WNVJVFWHEQPCPV-ANQUJSFKSA-N 278.392 3.624 0 40 CHAB biogenic COc1ccc2c(c1)c(C=O)cn2Cc1ccc(C)cc1 41434372 VQMIYQMGNVIHJS-UHFFFAOYSA-N 279.339 3.819 0 40 CHAB COc1ccc(Cl)c2sc(NC[C@@H]3CCCO3)nc12 26423934 GZZGAKLJXTZZHB-QMMMGPOBSA-N 298.795 3.549 0 40 CHAB CC1(c2ccc3noc(-c4ccc(F)cc4)c3c2)OCCO1 3047218 FVYRWODSSUUDMR-UHFFFAOYSA-N 299.301 3.853 0 40 CHAB CCOC(=O)c1cnc2c(C)ccc(C)c2c1Cl 1391840 AFUFWMAIOJISRR-UHFFFAOYSA-N 263.724 3.682 0 40 CHAB Cc1cccc(C)c1NC(=O)NCc1cccc(F)c1 43358001 CEPCGLDXJDHOAR-UHFFFAOYSA-N 272.323 3.764 0 40 CHAB Cc1ccccc1NC(=O)c1ccc(Cl)s1 3164163 HNZPQZHABJOZPU-UHFFFAOYSA-N 251.738 3.962 0 40 CHAB CN1C(=O)c2cccc3c(Cl)cc(Cl)c1c23 3186129 YRXRWXOFHQOLAF-UHFFFAOYSA-N 252.100 3.737 0 40 CHAB CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 3157983 WGKCQOGABDWBHK-UHFFFAOYSA-N 295.791 3.703 0 40 CHAB CC(C)c1ccc(CN(C)C[C@H](O)c2ccccc2)cc1 25718887 YHUMFBGWMJDPOI-IBGZPJMESA-N 283.415 3.975 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccccc1C 58161124 VKJOBRVFBCQZHV-INIZCTEOSA-N 284.384 3.754 0 40 CHAB CC(C)CCCNC(=O)[C@H]1C[C@@H](C)Nc2ccccc21 62097848 XHDJVOMQLIUQON-HIFRSBDPSA-N 274.408 3.527 0 40 CHAB C[C@H](c1ccccc1F)N(C)C(=O)c1cccc2cn[nH]c12 45395242 WJLKRFKOCOEQQJ-LLVKDONJSA-N 297.333 3.535 0 40 CHAB Cc1cccc(C)c1NC(=O)Cc1noc2ccccc12 12798217 NWGUGXVGHLHCTB-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB CC(C)(C)c1ccc(CSc2nnnn2C2CC2)cc1 48396229 BDILVQIGJHTWGS-UHFFFAOYSA-N 288.420 3.598 0 40 CHAB CC1CCC(NC(=O)c2ccc3ncsc3c2)CC1 3449395 LQNBHPSATBXUQC-UHFFFAOYSA-N 274.389 3.605 0 40 CHAB O=C(/C=C/C1=Cc2ccccc2OC1)Nc1ccccc1F 5034410 YKXVBACJDNJMPU-MDZDMXLPSA-N 295.313 3.796 0 40 CHAB CC(=O)OC[C@@]12COC3(CCCC3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 5222425 DNFFPEBVRBASNE-YQFWSFKMSA-N 292.419 3.727 0 40 CHAB biogenic Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCCO2)cc1 14020520 RPOQEWQEZVLUKI-KRWDZBQOSA-N 297.354 3.905 0 40 CHAB O=C(Cc1cccc2ccccc12)NC1CCCCC1 4652750 HAPGTWJUZAOPQZ-UHFFFAOYSA-N 267.372 3.831 0 40 CHAB Cc1ccc2nc(NC(=O)CCC(C)C)sc2c1 6651287 FRMUTIBIIXDTCS-UHFFFAOYSA-N 262.378 3.979 0 40 CHAB Cc1ccc(C(=O)Nc2cccnc2Cl)cc1Cl 4739997 GZXCBDLLTSBMAH-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(N)c2)cc1 19736689 ZBSVWPPLARVPEW-LBPRGKRZSA-N 284.359 3.698 0 40 CHAB CC(C)n1cnnc1S[C@@H](C)c1ncc(C(C)(C)C)o1 89894139 RZQNZHKQYJLGHY-JTQLQIEISA-N 294.424 3.998 0 40 CHAB CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2cc(C)ccn12 19898720 AGUQWPKITUZPOF-UHFFFAOYSA-N 299.761 3.922 0 40 CHAB Cc1ccccc1CNC[C@H](O)c1ccc(OC(C)C)cc1 72286594 SCGBRXQVOHNYQJ-IBGZPJMESA-N 299.414 3.605 0 40 CHAB C[C@@H](NC(=O)c1cc(F)ccc1Cl)c1ccccc1 72331800 OJUPJGZNGZOYMB-SNVBAGLBSA-N 277.726 3.970 0 40 CHAB CCC[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1 33295199 LFJPCHSRZIMWGY-WQGACYEGSA-N 273.332 3.634 0 40 CHAB COc1ccc(C(=O)c2ccccc2OC(F)(F)F)cc1 55198937 WAVCDJLEHFXIPW-UHFFFAOYSA-N 296.244 3.825 0 40 CHAB COc1c(Cl)cc(C)cc1C(=O)N1CCC(C)CC1 72206578 ITWJSPWHDAVJCI-UHFFFAOYSA-N 281.783 3.529 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC(C)C 30756078 ZAFDXDJNXUPDEY-INIZCTEOSA-N 277.408 3.623 0 40 CHAB O=C(c1cccc(Cl)c1)N(Cc1ccco1)C1CC1 44698271 KWOAKHHETJLWJA-UHFFFAOYSA-N 275.735 3.738 0 40 CHAB COc1ccc(-c2nc3ccc(C)c(C)c3o2)cc1N 40541606 XCYVZQWUTWZFCC-UHFFFAOYSA-N 268.316 3.702 0 40 CHAB Nc1cccc(OCC(=O)Sc2ccc(Cl)cc2)c1 225398649 MCFQCHGNXSXXRI-UHFFFAOYSA-N 293.775 3.620 0 40 CHAB CC(C)[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl 49535535 JXVJQXOBSAIUCH-VIFPVBQESA-N 290.190 3.533 0 40 CHAB CC(C)Oc1cccc(CCCNC(=O)C(C)(C)C)c1 225821171 WJUBHSQOEQRVEC-UHFFFAOYSA-N 277.408 3.569 0 40 CHAB CCC(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223384856 DPHVEBRDUBXDSN-GFCCVEGCSA-N 263.381 3.714 0 40 CHAB Cc1ccc(C2=NN(C(N)=O)[C@@H](c3ccc(C)cc3)C2)cc1 95864379 WDWIWOVWRUYGQH-QGZVFWFLSA-N 293.370 3.533 0 40 CHAB Cc1c(C(=O)O)sc2c(Br)csc12 35091527 QQAXFGQFKBDJMX-UHFFFAOYSA-N 277.164 3.732 0 40 CHAB c1ccc2sc(CN3CCC(n4ccnc4)CC3)cc2c1 92648483 IMOWDZWPIBSSGC-UHFFFAOYSA-N 297.427 3.935 0 40 CHAB COc1ccc(Cl)c(C(=O)CCCCCl)c1 381278964 XPQBVTAZZJIRGB-UHFFFAOYSA-N 261.148 3.940 0 40 CHAB Fc1ccc(Br)cc1-n1ccc2cccnc21 95915661 FXHCUPYRWHQSNP-UHFFFAOYSA-N 291.123 3.927 0 40 CHAB CCCN(Cc1ccsc1)C(=O)Cc1ccsc1 96120452 RBFJLQUYCGEAOA-UHFFFAOYSA-N 279.430 3.791 0 40 CHAB CCOC(=O)c1ccc(Br)cc1C(F)(F)F 47202681 IDRJGROUCVPDJX-UHFFFAOYSA-N 297.070 3.645 0 40 CHAB in-vitro C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH]ncc23)C1 64318759 LVLYTSMSUGMVDN-PBFPGSCMSA-N 297.402 3.604 0 40 CHAB CC1(C)O[C@@H]2[C@@H]3CC[C@@](C)(C3)[C@]2(c2ccccc2)O1 5119128 QJXLKANVPCEITL-QIJZBDPFSA-N 258.361 3.853 0 40 CHAB CC[C@H](C)c1ccccc1NC(=O)c1snnc1C 5239324 ZNPAWJYPDDKBJB-VIFPVBQESA-N 275.377 3.612 0 40 CHAB Cc1ccc2nc(CSc3ccccc3N)cn2c1 11757617 KUBKVRAUEIIEBQ-UHFFFAOYSA-N 269.373 3.517 0 40 CHAB Cc1ccc(CN2c3ccccc3NC(=O)C[C@H]2C)cc1 16904035 ALBUOCWMXCTRFR-CQSZACIVSA-N 280.371 3.732 0 40 CHAB O=C(CCc1ccc(F)cc1)NCc1ccc(Cl)cc1 18113946 HKNUCOKBDKLWSM-UHFFFAOYSA-N 291.753 3.728 0 40 CHAB COc1cc(NC(=O)[C@@H]2CC=CCC2)c(OC)cc1Cl 10109361 OZMWHFKYLWYFOO-SNVBAGLBSA-N 295.766 3.652 0 40 CHAB c1ccc([C@@H]2CN(c3nc4ccccc4s3)CCO2)cc1 29588138 WPVLQEKJRXNVST-HNNXBMFYSA-N 296.395 3.874 0 40 CHAB Cc1ccc(CSCC(=O)N2CCCCCC2)cc1 20237711 GYHMLIKFPOFVJQ-UHFFFAOYSA-N 277.433 3.631 0 40 CHAB COCc1cccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c1 30978884 PDICOYNBTWUDGT-GOSISDBHSA-N 295.382 3.593 0 40 CHAB O=c1c2ccccc2cnn1-c1ccc2ccccc2c1 142961 FSLCVBMZDHZDKO-UHFFFAOYSA-N 272.307 3.539 0 40 CHAB O=C(c1cc(C2CC2)nc2ccccc12)N1C[C@H]2CC[C@H]1C2 100711841 BZELYJPHBOSMRE-JSGCOSHPSA-N 292.382 3.737 0 40 CHAB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccccc1Cl 843015 HPHDKXHUWUKZDT-HNNXBMFYSA-N 286.762 3.561 0 40 CHAB CCSCCOC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 1665516 AHHCIGZRDUITRB-VXGBXAGGSA-N 256.411 3.521 0 40 CHAB CCN(CC)C(=O)OC[C@H]1[C@@H](C=C(C)C)C1(C)C 1690868 UPEYENHMHKVMGQ-OLZOCXBDSA-N 253.386 3.703 0 40 CHAB CCN(CC)C[C@@H](c1ccccc1)C1(O)CCCCC1 2042526 WHDCMZKMCQFYGL-KRWDZBQOSA-N 275.436 3.807 0 40 CHAB C[C@@H](O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 4666664 ONPLURLOVYQKEH-LLVKDONJSA-N 289.762 3.575 0 40 CHAB CCCC(=O)Nc1cccc(NCc2cc(C)on2)c1C 60089448 UNRBDVGJFYOHMZ-UHFFFAOYSA-N 287.363 3.642 0 40 CHAB CN[C@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 100262101 TYGZLRGXVVMQMY-RKQHYHRCSA-N 286.257 3.718 0 40 CHAB O=C(C[C@H](c1ccccc1)c1ccco1)Nc1nccs1 509686 UNRHYHDZOFISEK-CYBMUJFWSA-N 298.367 3.897 0 40 CHAB aggregator Brc1ccc2oc(-c3ccncc3)nc2c1 41569376 UILQGEMIQDQAOY-UHFFFAOYSA-N 275.105 3.652 0 40 CHAB in-vitro Cc1cccc(CNC(=O)COc2ccc(C(C)C)cc2)c1 26885855 AGUPRHZAGGYYIN-UHFFFAOYSA-N 297.398 3.814 0 40 CHAB CC1CCN(C2CCN(C3CCCCCC3)CC2)CC1 2735991 PPMFODHHCLIEID-UHFFFAOYSA-N 278.484 3.906 0 40 CHAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)Cc2ccccc2)C1 100633972 NUSSVXFEPJRVRI-QAPCUYQASA-N 271.404 3.656 0 40 CHAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](C(C)C)S1 71288451 HDTFBJOHCJVFAY-SNVBAGLBSA-N 253.371 3.663 0 40 CHAB Brc1ccc2[nH]c3c(c2c1)CSCC3 1754849 NIFLZIWCYOSPQJ-UHFFFAOYSA-N 268.179 3.720 0 40 CHAB C[C@@H]1CCC[C@@H]2CCCN(CC(=O)Nc3ccccc3)[C@H]12 58081639 RQMKDTOHBAISKM-IIDMSEBBSA-N 286.419 3.526 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C)c1 113959328 WNBIBSXZRGKZBU-GOSISDBHSA-N 297.398 3.777 0 40 CHAB C[C@@H]1CCCN(C(=O)Nc2cccc(OC(F)F)c2)C1 44950114 OAXLSZYGIHEDFT-SNVBAGLBSA-N 284.306 3.552 0 40 CHAB CCOc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1 3337194 KJERZLJEFFOYJW-UHFFFAOYSA-N 289.375 3.916 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc2ccccc2c1 3399189 YZMVBMHLLSLHSW-KDOFPFPSSA-N 297.398 3.914 0 40 CHAB CC(C)CCNC(=O)CCCOc1ccc(Cl)cc1 408705963 RMHOUYYMPBKGMF-UHFFFAOYSA-N 283.799 3.661 0 40 CHAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1cccc(F)c1 3904967 UBNHRPVZGCZIMM-MELADBBJSA-N 293.382 3.634 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)[C@@H]1C 17007904 FYNCDKRQFLAWQU-MWGHHZFTSA-N 278.223 3.511 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1c(F)cccc1Cl 5062717 IRHXSRDJGIHAHB-QMTHXVAHSA-N 283.774 3.717 0 40 CHAB Cc1ccc2nc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3C4)sc2c1 4611209 XFGAHBKYMOWPIP-TUAOUCFPSA-N 286.400 3.979 0 40 CHAB O=C(Nc1nonc1-c1ccccc1)c1ccccc1Cl 8868611 UAAVMFRUGLNLTM-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB COc1ccccc1NCCOc1c(C)cccc1C 19737980 ZNLUHISWCQNSID-UHFFFAOYSA-N 271.360 3.803 0 40 CHAB CC(C)[C@@H](C)NC(=O)c1cc(Cl)sc1Cl 9762327 TULMJWPDSXYSAZ-ZCFIWIBFSA-N 266.193 3.829 0 40 CHAB Fc1cc2ncc(Oc3cncc(Cl)c3)nc2cc1F 77986065 IZLFYYVISFCTRN-UHFFFAOYSA-N 293.660 3.749 0 40 CHAB CC(C)(NCc1ncc(-c2ccccc2)o1)c1nccs1 72662752 UEWUWIMZCLPQMB-UHFFFAOYSA-N 299.399 3.823 0 40 CHAB COC(=O)c1c(-c2cccc3ccccc23)ccnc1C 22606993 GMRDHVMYVYECCS-UHFFFAOYSA-N 277.323 3.997 0 40 CHAB COc1cccc(C(=S)NCc2ccc(Cl)cc2)c1 408573734 KENYYBFYLPISCD-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCNC2)n1 72354411 JPDZGSPFHKYVSM-MRXNPFEDSA-N 284.378 3.587 0 40 CHAB COC(=O)/C=C/c1cccc(OCc2ccc(F)cc2)c1 216894672 DBTRKXNAFBYQOR-JXMROGBWSA-N 286.302 3.591 0 40 CHAB CN1CCC[C@H]1c1cccnc1Nc1ccccc1 72214124 CIIHZEFUUKFYLH-HNNXBMFYSA-N 253.349 3.592 0 40 CHAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC1CCCCC1 40449153 NIXRWAKIVVHSPX-HUUCEWRRSA-N 296.455 3.745 0 40 CHAB COc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223156793 VSWCLICJGLCQOV-ZDUSSCGKSA-N 295.382 3.675 0 40 CHAB O=C(CC1CCCC1)N1CCC[C@@H]1CCc1ccncc1 257245068 INYXDACINBERBN-QGZVFWFLSA-N 286.419 3.586 0 40 CHAB CCn1nccc1-c1cccc(C2CCN(C(C)C)CC2)n1 257208082 BKQTXTHFGSQESC-UHFFFAOYSA-N 298.434 3.553 0 40 CHAB O=C(O)c1ccc(-c2ccnc3ccsc23)cc1 257367667 BLOUSYLKZGVFFN-UHFFFAOYSA-N 255.298 3.662 0 40 CHAB Cc1cccc(C)c1OCC(=O)Nc1ccccc1Cl 361909 BIYUUEUXSUUGHS-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CCc1cc(N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)ncn1 1775976767 PPPOKRNHBCAJKP-HOTGVXAUSA-N 269.392 3.507 0 40 CHAB CCCC[C@H](OC(=O)CC)c1ccc2c(c1)OCO2 5553930 QAWQEROQKMFDEZ-LBPRGKRZSA-N 264.321 3.600 0 40 CHAB C[C@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 5559264 IAURWOWBJSLQQR-JTQLQIEISA-N 277.726 3.970 0 40 CHAB CC(=O)O[C@@H]1C[C@]2(C)CC[C@@H](C(C)C)[C@]23CC[C@@]1(C)O3 5731860 CPOIBZCPCUMJTQ-DMRKSPOLSA-N 280.408 3.702 0 40 CHAB CCOc1ccc(C(=O)CCN2CCCCCC2)cc1 340691 VAFZAQNRXMHCPL-UHFFFAOYSA-N 275.392 3.534 0 40 CHAB aggregator COc1ccc(OC)c([C@H](C)NCc2ccccc2)c1 19899544 ONUASMHUAAZJGJ-ZDUSSCGKSA-N 271.360 3.555 0 40 CHAB Cc1cc(C)cc(Oc2cccc([C@H]3CCCN3)n2)c1 2037873503 QQPSLJAHWQSTME-OAHLLOKOSA-N 268.360 3.915 0 40 CHAB Oc1cccc2ccc(/C=C/c3cccc4c3OCO4)nc12 40139761 FGQXMYHRMCMJEM-CSKARUKUSA-N 291.306 3.840 0 40 CHAB COc1nc(-c2ccccc2Cl)nc2ccccc12 102204 YZIWSWDVOVLASZ-UHFFFAOYSA-N 270.719 3.959 0 40 CHAB Clc1cc(Cl)cc(NCn2nnc3ccccc32)c1 103845 FAVIJGDUMFGPIN-UHFFFAOYSA-N 293.157 3.808 0 40 CHAB O=C(NCc1ccccc1Cl)c1c[nH]c2ccccc12 1399488 TUWQXRJOGBZZMZ-UHFFFAOYSA-N 284.746 3.751 0 40 CHAB O=C(CCc1ccc(Cl)cc1)NCc1ccccc1 2020437 XQPWJBKUZCRBKK-UHFFFAOYSA-N 273.763 3.589 0 40 CHAB Fc1c(F)c(Br)c(F)c(F)c1Cl 2539459 NBLNPUIBUYHFAT-UHFFFAOYSA-N 263.415 3.659 0 40 CHAB Cc1ccc([C@@H](C)Nc2ncnc3sccc23)cn1 32507879 AKIHQBGRTCJUBM-SNVBAGLBSA-N 270.361 3.568 0 40 CHAB Cc1nc(NCCc2cccnc2)c2c(C)c(C)sc2n1 32769986 UPDGDFBITCIMDG-UHFFFAOYSA-N 298.415 3.666 0 40 CHAB CC[C@@H](C)NC(=O)c1cnn(-c2ccccc2C)c1C1CC1 29740351 BVPMEEQCZJRTQW-CYBMUJFWSA-N 297.402 3.586 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 2647425 MJFUIBDMHXXKJS-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]2CCCC[C@@H]21 52897089 RZJBWGQQYACRSM-KDOFPFPSSA-N 296.414 3.892 0 40 CHAB O=C(Cn1ccc2ccccc21)Nc1cccc(Cl)c1 581678 LRZQSGWNBQJVJP-UHFFFAOYSA-N 284.746 3.933 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1ccc2ccccc21 103142569 IBVFHTJJEKWKLG-IJEWVQPXSA-N 284.403 3.582 0 40 CHAB CC[C@H](NC(=O)N1CCc2ccccc21)c1cccs1 56539602 XFNICFMTGNLXSZ-ZDUSSCGKSA-N 286.400 3.972 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(C)cs2)C1(C)C 24541905 BAIAYWRTTDLPLP-QWRGUYRKSA-N 264.394 3.628 0 40 CHAB CC[C@H](C)c1ccc(O[C@H]2CCNC2)c(Cl)c1 42775097 RJAVNZAOVOORKZ-JQWIXIFHSA-N 253.773 3.594 0 40 CHAB in-vitro COc1cccc2cc([C@@H](C)NC(=O)C[C@H]3C=CCC3)oc12 25190455 VYMOUJPIFNOMRL-OLZOCXBDSA-N 299.370 3.975 0 40 CHAB CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 43654118 GEADBBFSUVRNPA-GFCCVEGCSA-N 297.358 3.528 0 40 CHAB Cc1noc(C)c1CN[C@@H]1CCC[C@H](C(F)(F)F)C1 35257775 CLNWRRSKWPLHBE-WDEREUQCSA-N 276.302 3.502 0 40 CHAB CC(C)(C(=O)O)c1csc(-c2c(F)cccc2Cl)n1 57629057 KJTRDLPAEMNKBM-UHFFFAOYSA-N 299.754 3.965 0 40 CHAB in-vitro Cc1cc(CNC(=O)c2ccccc2Cl)ccc1F 11008127 XTAUMPHAOQBMAS-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB CN(C(=O)c1ccccc1F)c1nc2ccccc2s1 12812528 HBBRTNXEEORURA-UHFFFAOYSA-N 286.331 3.712 0 40 CHAB COc1cc2ccccc2cc1C(=O)Nc1nc(C)cs1 3431600 LTNMHPUPVIAWJB-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1C 12919319 IQWNHUDBVBNPQW-VMPITWQZSA-N 293.366 3.890 0 40 CHAB O=C(OCc1cc2ccccc2nc1Cl)c1ccoc1 16158567 LOFRPBOCGDZROG-UHFFFAOYSA-N 287.702 3.838 0 40 CHAB Cc1cc(-c2ccc(Cl)s2)nc(-n2cccc2)n1 4088700 TVAVVDUHDDFSBZ-UHFFFAOYSA-N 275.764 3.958 0 40 CHAB CC(C)CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4156293 XYIOYXGWBNSBAO-ORVZXPRGSA-N 263.425 3.754 0 40 CHAB CC(C)[C@@]12CC[C@@](C)(O1)[C@H](OCc1ccccc1)C2 4110137 GAOXSAWQBLHRAE-ZACQAIPSSA-N 260.377 3.939 0 40 CHAB Cc1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1 6508792 AUEZKDHSPMBUGU-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 6850548 CKSFZMXQPUJPIO-ARLBYUKCSA-N 289.444 3.613 0 40 CHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1nccs1 6839264 ZCCLLDJELSMYOU-SNAWJCMRSA-N 298.289 3.814 0 40 CHAB FCCCCOc1cc(F)ccc1Br 308466956 YXKHDTSBRQXMDX-UHFFFAOYSA-N 265.097 3.717 0 40 CHAB C/C(=C\C(=O)N[C@H](C)c1ccccn1)CCc1ccccc1 96188205 UUNVBCNNVHUOLS-UTZKEFOASA-N 294.398 3.838 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc(N)ccc2C)c1 19736095 GQUABEFLDZWDTQ-AWEZNQCLSA-N 298.386 3.600 0 40 CHAB CCOCc1cccc(NCc2c[nH]nc2C(C)(C)C)c1 95429002 WZSJRMCLKZWLOA-UHFFFAOYSA-N 287.407 3.856 0 40 CHAB Cc1ncsc1CN(C)[C@@H](C)c1ncc(C(C)(C)C)o1 95406532 VKIPMJJSRWORRC-NSHDSACASA-N 293.436 3.930 0 40 CHAB CCN(Cc1ccccn1)C(=O)c1cccc(NC(C)C)c1 75108278 GKHDOSQSRWQTGH-UHFFFAOYSA-N 297.402 3.564 0 40 CHAB COc1ccc(C(=O)Sc2nc3ccc(C)cc3[nH]2)cc1 408624491 UQWDYYVPEBQGIX-UHFFFAOYSA-N 298.367 3.812 0 40 CHAB CC[C@@H]([C@H]1CCc2cc(O)ccc2C1)C(C)(C)C(=O)O 3850159 FZDIDIIEUWBRMV-ZFWWWQNUSA-N 276.376 3.634 0 40 CHAB biogenic Cc1nc(NC(C)(C)C)ccc1[C@H](O)c1ccccc1 72225016 DFBQHKQEZPNTBC-MRXNPFEDSA-N 270.376 3.682 0 40 CHAB Cc1nc(N)sc1Cc1cc(Cl)cc(Cl)c1 36219655 HATCWPQYDBEEFH-UHFFFAOYSA-N 273.188 3.931 0 40 CHAB FC(F)(F)c1cccc(-c2c[nH]nc2[C@@H]2CCCN2)c1 72379960 QBSDTTBSPJPACQ-LBPRGKRZSA-N 281.281 3.520 0 40 CHAB FC(F)(F)c1cccc(C[C@@H]2CCCCNC2)c1 77293312 BZXFUGGMUMPWMJ-LBPRGKRZSA-N 257.299 3.638 0 40 CHAB in-vitro Cc1cccc(CCCNC(=O)Cc2ccc(C)c(C)c2)c1 218805444 KHZSLCINYSFHAR-UHFFFAOYSA-N 295.426 3.903 0 40 CHAB CC[C@@H](C)Nc1ccc([C@H]2CCCCN2CC)cn1 72213535 ZRONWPSXWANAID-UKRRQHHQSA-N 261.413 3.839 0 40 CHAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccncc1 72211054 BYLYKUYMXTUTQK-KRWDZBQOSA-N 296.370 3.945 0 40 CHAB COc1cccc2c1N(C(=O)c1ccc(Cl)o1)CCC2 40512016 QBQSNMDILZRAAW-UHFFFAOYSA-N 291.734 3.535 0 40 CHAB Cc1cc(S(=O)(=O)NC2CCCCCCC2)ccc1F 225606393 LQCUWSVFVKMMNQ-UHFFFAOYSA-N 299.411 3.525 0 40 CHAB Clc1ccc(COCC[C@H]2CCCNC2)c(Cl)c1 42771828 BKAPOHXRFFETFZ-LLVKDONJSA-N 288.218 3.900 0 40 CHAB CCOP(=O)(OCC)C(F)(F)[C@H](N)c1ccccc1 95637881 VOMXDASMZHCKAZ-LLVKDONJSA-N 293.250 3.545 0 40 CHAB O=C(O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 93538589 RFUZJOUSSSAGOB-UHFFFAOYSA-N 273.235 3.527 0 40 CHAB Cc1ccc([C@@H](NC[C@@H]2CCCCO2)C2CC2)cc1 51099993 GBZAHSJSEPBFNM-DLBZAZTESA-N 259.393 3.605 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)Cc2ccoc2)cc1C 84868522 XBJVENUNTRYWCC-ZDUSSCGKSA-N 272.348 3.649 0 40 CHAB CC[C@@H](C)Oc1cc(Br)cc(F)c1F 95915376 RHFGNEUJWFEJHW-ZCFIWIBFSA-N 265.097 3.905 0 40 CHAB CO[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1C 96104929 RRVIZYMIKMEZIP-HHNLSAEISA-N 295.382 3.512 0 40 CHAB CC(C)Cc1nc(C(=O)Nc2cccnc2Cl)cs1 63643364 GORFTLAVMIBDPP-UHFFFAOYSA-N 295.795 3.642 0 40 CHAB Brc1oc2ccccc2c1Br 95496273 JPYBOGFQEPDJRZ-UHFFFAOYSA-N 275.927 3.958 0 40 CHAB Cc1cc(C)c([C@@H](C)N[C@H](C)c2cnn(C)c2)cc1C 95968481 PBCFQAYEUNFVCA-HUUCEWRRSA-N 271.408 3.757 0 40 CHAB COc1ccc(CNC2CCCCCCC2)cc1OC 7521866 LZTRJUNLGKVHCV-UHFFFAOYSA-N 277.408 3.906 0 40 CHAB C[C@]12CC[C@@H]3[C@H]4CC[C@H](O)C[C@@H]4CC[C@H]3[C@@H]1CCC2=O 6067691 UOUIARGWRPHDBX-LRMMUPRLSA-N 276.420 3.569 0 40 CHAB endogenous,in-man CC1=Nc2ccccc2Nc2c1c(=O)[nH]c1ccccc21 5261107 AHSUHFNLDSPQTC-UHFFFAOYSA-N 275.311 3.726 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)Nc1cccc(F)c1 3548456 IGQUVEPJNUCVQL-RMKNXTFCSA-N 259.255 3.617 0 40 CHAB O=C(NCC1(c2cccs2)CCCC1)C1CCCC1 13803115 BWTUMGBHSAXGKC-UHFFFAOYSA-N 277.433 3.866 0 40 CHAB Cc1c(N)cccc1NC(=O)C12CC3CC(CC(C3)C1)C2 21960725 SDLAXIIMCJRGQN-UHFFFAOYSA-N 284.403 3.732 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccccc1OC 1776000804 KXTRALLHENPKTE-OKILXGFUSA-N 286.375 3.800 0 40 CHAB O=C(NC[C@H]1CCCc2ccccc21)c1cccc(F)c1 30895457 LJAZBOZMDIOSSX-OAHLLOKOSA-N 283.346 3.676 0 40 CHAB CCOc1cccc2cc(C(=O)Nc3nccs3)oc12 8960871 XNWJAJQPIDRRCS-UHFFFAOYSA-N 288.328 3.540 0 40 CHAB CCC(CC)C(=O)Nc1ccccc1S[C@H](C)C(=O)O 8732889 WUCYSKBVXRYJQO-SNVBAGLBSA-N 295.404 3.627 0 40 CHAB Cc1cc(CSc2nnc(C3CCCCC3)o2)on1 40010048 BHHAJZJIZDWTSY-UHFFFAOYSA-N 279.365 3.706 0 40 CHAB CSc1ccc(CN[C@H](C)c2ccccn2)cc1 20123851 RDRISPAPVQVVRD-GFCCVEGCSA-N 258.390 3.654 0 40 CHAB CC(C)c1ccc(Cn2c(=O)[nH]c3ccccc32)cc1 104740 BHZVIZGZMJNGOH-UHFFFAOYSA-N 266.344 3.501 0 40 CHAB CCOc1cc(-c2cc(=O)c3cc(C)ccc3o2)ccc1O 115246 RJCGALKZHQVUEC-UHFFFAOYSA-N 296.322 3.873 0 40 CHAB CCOc1ccc(C(F)F)cc1Br 1857793775 NRLJCSQORYWCDW-UHFFFAOYSA-N 251.070 3.785 0 40 CHAB CC1(C)[C@]2(C)CC[C@]1(C)c1nc3ccccc3nc12 100770305 ZBVXZRXFIISPRV-IAGOWNOFSA-N 252.361 3.979 0 40 CHAB O=C(O)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 11588649 SWSXUIFHQYDLHO-CQSZACIVSA-N 260.720 3.751 0 40 CHAB CCC(=O)OC(OC(=O)CC)c1ccc(C(C)C)cc1 1676853 ATQMNHMEMUEBDI-UHFFFAOYSA-N 278.348 3.715 0 40 CHAB Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1Cl 4952319 BZLVZJUUCWCGBJ-UHFFFAOYSA-N 294.826 3.851 0 40 CHAB Cc1ccccc1Cn1c(C(=O)O)cc2ccccc21 21036471 YBBDAMXSTVJOSR-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB CCC(=O)c1c(O)c(Cl)cc(Cl)c1Cl 52068508 ZQPIRUBNPPSHBR-UHFFFAOYSA-N 253.512 3.945 0 40 CHAB Cc1sc2ncnc(N[C@H](C)c3ccccn3)c2c1C 8053801 GTKWNMXBQVUZGR-SNVBAGLBSA-N 284.388 3.876 0 40 CHAB O=C(O)/C(=C/c1ccncc1)c1cccc2ccccc12 8628701 ZKEHLZUJSOVCAW-SFQUDFHCSA-N 275.307 3.860 0 40 CHAB in-vitro c1ccc(CNC[C@H](c2ccccc2)N2CCCC2)cc1 21519377 ZEFJPCVKTSXIAY-LJQANCHMSA-N 280.415 3.613 0 40 CHAB COc1cc(C)cc(OC)c1OCc1cccc(F)c1 32957873 VTRRWXQHKRDDCL-UHFFFAOYSA-N 276.307 3.730 0 40 CHAB CCc1ccccc1N1C(=O)[C@H]2CC[C@](C)(C1=O)C2(C)C 100283195 WJRPGDRTJITICN-FZKQIMNGSA-N 285.387 3.565 0 40 CHAB COc1ccc2c(Cl)c(Br)cnc2c1 41702282 APGRHUWXEQKTMN-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB COCc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 23131301 BPBJHXYFYCINHG-UHFFFAOYSA-N 293.725 3.878 0 40 CHAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccco1 26071195 LWIJKGKRKFAEEQ-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB Cn1ccnc1SCc1csc(-c2ccccc2)n1 12588910 JGWAAKVUWFNNDD-UHFFFAOYSA-N 287.413 3.836 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H]2CCCC[C@H]21 89807713 NNPQCMIYDAPREQ-CXAGYDPISA-N 282.387 3.963 0 40 CHAB CCOc1ncccc1NC(=O)c1cc(Cl)ccc1F 27515368 PEDLWEWYDCHYKZ-UHFFFAOYSA-N 294.713 3.525 0 40 CHAB Cc1ccccc1CN(C)C(=O)Cc1c[nH]c2ccccc12 8240514 OVAJAQRYNSVBEQ-UHFFFAOYSA-N 292.382 3.677 0 40 CHAB CCNc1ncnc2scc(-c3ccc(F)cc3)c12 3305077 GSURRFZVQOIGDO-UHFFFAOYSA-N 273.336 3.929 0 40 CHAB O=C(/C=C/c1cccc(F)c1)NCc1ccc(Cl)cc1 3480071 QWBXDANFGWQQGU-RMKNXTFCSA-N 289.737 3.809 0 40 CHAB CCC(C)(C)NCC(=O)Nc1c(Cl)cccc1Cl 3440604 VXULBDYYPLMIAI-UHFFFAOYSA-N 289.206 3.710 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(F)cc1 3551603 OBXQYTMJIQBFTQ-BJMVGYQFSA-N 289.737 3.809 0 40 CHAB COc1ccc(CCC(=O)Nc2cc(C)cc(C)c2)cc1 3565951 LTOAKPNIJUNRIU-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB COc1cccc(CO[C@H]2CCOc3ccccc32)c1 4107027 BBJHNHCDPSEIOJ-KRWDZBQOSA-N 270.328 3.736 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 49683580 OIDUNFORQQOQGK-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CC(C)CCC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20136792 QZLZYWBAHSWYCE-UHFFFAOYSA-N 287.359 3.814 0 40 CHAB O=C(NCc1ccco1)c1sccc1-c1ccccc1 6850963 DEGUDBMODGLOFK-UHFFFAOYSA-N 283.352 3.938 0 40 CHAB CSc1cccc(NC(=O)c2n[nH]c3ccccc23)c1 7328663 GFMRYNWNOZUTRR-UHFFFAOYSA-N 283.356 3.537 0 40 CHAB CC(C)NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 71884013 PWULCJKAYUBENB-LLVKDONJSA-N 289.404 3.579 0 40 CHAB Cc1ccc(CN(C)C(=O)CSc2ccccc2)cc1 20450366 JYBDOPPSRIBIEK-UHFFFAOYSA-N 285.412 3.746 0 40 CHAB Fc1ccc2c(c1)[C@H](NC1CCSCC1)CCS2 35043868 DCDJSZGFOPWXSZ-CYBMUJFWSA-N 283.437 3.848 0 40 CHAB CC(C)(C)SCC(=O)Nc1ccccc1Cl 32975905 DPXUULUEUIUMHS-UHFFFAOYSA-N 257.786 3.810 0 40 CHAB C[C@]12CCC(=O)C[C@@H]1CCC1=C2CC[C@H]2C(=O)CC[C@H]12 3843935 ZWHSPFDZONRAGT-XZKYRNBSSA-N 272.388 3.841 0 40 CHAB biogenic Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)ccn1 72219485 DBJUIUUVFIBGPR-AWEZNQCLSA-N 276.380 3.852 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(NC2CCC2)nc1 72213844 DVKVXMFBYQGCNK-INIZCTEOSA-N 273.424 3.983 0 40 CHAB Cc1nn(C)cc1NC(=O)c1ccc(-c2ccccc2)cc1 32610428 CRTROYLEAVXCHI-UHFFFAOYSA-N 291.354 3.648 0 40 CHAB O=C(O)c1cc(OCc2ccc3ccccc3c2)ccc1O 216932753 TWUAJELOTLQRHC-UHFFFAOYSA-N 294.306 3.823 0 40 CHAB Cc1cc(C)c(C(=O)NCCSC(C)(C)C)cc1C 225641990 OHVPZSMVHRXEOR-UHFFFAOYSA-N 279.449 3.873 0 40 CHAB COc1ccccc1NC(=O)c1c(O)ccc2ccccc12 196346339 XPWVZMASRVKBKL-UHFFFAOYSA-N 293.322 3.806 0 40 CHAB Cc1ccc(CC(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 224954661 IKMWURLYKPFZQJ-KRWDZBQOSA-N 295.426 3.983 0 40 CHAB Cc1cccc(CCCNC(=O)CCc2ccccc2F)c1 225311395 KYBQMUHXQCMUCR-UHFFFAOYSA-N 299.389 3.816 0 40 CHAB CC(C)(C)c1ccc(-c2noc(-c3cccnc3N)n2)cc1 89263283 MZJMMJPOHNJPNP-UHFFFAOYSA-N 294.358 3.678 0 40 CHAB Cc1ccc(OCc2cc(C)on2)c(Br)c1 20253950 IOEDGXLCFNVRSS-UHFFFAOYSA-N 282.137 3.633 0 40 CHAB CCN(C)c1ccccc1NC(=O)N1C[C@H]2CC=CC[C@@H]2C1 98014262 DVDDQWASMGSTHG-HUUCEWRRSA-N 299.418 3.573 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)cc1)[C@@H]1CC=CCC1 390832303 YNEGYCRJSRDQTE-MRXNPFEDSA-N 281.355 3.919 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CSC(F)(F)F 91252850 JBNQLMSUMXCJKW-MRVPVSSYSA-N 285.331 3.639 0 40 CHAB C[C@H]1C[C@H](C)CN([C@@H](C)C(=O)c2c[nH]c3ccccc23)C1 5557329 BMYNOEXNAKSRKS-IHRRRGAJSA-N 284.403 3.717 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CC[C@H]2CCCC[C@@H]2C1 16400796 VGTBJPHCCSPXEH-TZMCWYRMSA-N 277.795 3.992 0 40 CHAB CC(C)/N=C1\S/C(=C/c2ccsc2)C(=O)N1C(C)C 6325077 SATMRLPVARLSJF-RQHVUCQOSA-N 294.445 3.837 0 40 CHAB O=C(N1CCCCCC1)C1(c2cccs2)CCCC1 12157493 XKSYUAFGNSGMSF-UHFFFAOYSA-N 277.433 3.963 0 40 CHAB Fc1cccc(-c2cc3nc4c(c(Cl)n3n2)CCC4)c1 13562655 PHBNJXGYMJQZKZ-UHFFFAOYSA-N 287.725 3.678 0 40 CHAB CCN(C(=O)c1cc(N)ccc1Cl)c1ccccc1 20194145 XELYFFIKSQLVCO-UHFFFAOYSA-N 274.751 3.589 0 40 CHAB Cc1cc(Cl)ccc1C(=O)c1ccccc1C(=O)O 32191881 VJRDIFPQPQDAFS-UHFFFAOYSA-N 274.703 3.578 0 40 CHAB CCN(CC)c1c(Cl)c(Cl)nc(Cl)c1C(=O)O 54381 OWEAZFFPZFYJEY-UHFFFAOYSA-N 297.569 3.586 0 40 CHAB O=C1CS[C@H](c2ccccc2)N1c1ccc(F)cc1 67284 POFKZEIHONYHRP-OAHLLOKOSA-N 273.332 3.604 0 40 CHAB CC(C)(C)c1nc2c3c4c(sc3ncn2n1)CCCC4 2442890 MYKKQQURVYGRTR-UHFFFAOYSA-N 286.404 3.515 0 40 CHAB Cc1c(NC(=O)C(C)(C)C)cccc1C(F)(F)F 1433344 BTZICTAKSVSHCJ-UHFFFAOYSA-N 259.271 3.998 0 40 CHAB in-vitro CC[C@]1(O)C[C@@H]2c3ccccc3CCN2C[C@@H]1CC(C)C 1678590 RYNPJUSOZNBQIE-UHOSZYNNSA-N 287.447 3.793 0 40 CHAB CCN(CC)C(=O)CCCOc1ccc(Cl)c(C)c1 1787190 FKVDDFHOYVFLQI-UHFFFAOYSA-N 283.799 3.676 0 40 CHAB Oc1cccc([C@@]23CCCC[C@H]2CN(CC2CC2)CC3)c1 3776671 KFIQKMINEHFZSM-HKUYNNGSSA-N 285.431 3.936 0 40 CHAB in-man Cc1nc2ccc(OCc3ccccc3)cc2cc1C(=O)O 380734 GEIHNZUBOOHMDJ-UHFFFAOYSA-N 293.322 3.820 0 40 CHAB O=C(c1ccco1)N(Cc1ccc(F)cc1)c1ccccn1 11914621 OYOIKRKWEQAVFO-UHFFFAOYSA-N 296.301 3.661 0 40 CHAB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccccc3O)[C@@H]1[C@@H]2C 519480 YHPKSMCKTAILCI-DOFHIRSNSA-N 258.361 3.928 0 40 CHAB CC[C@H]1CCCN([C@H](C)c2nnc(-c3cccs3)o2)C1 106624466 NDHSCGIHGZQIJT-NEPJUHHUSA-N 291.420 3.981 0 40 CHAB CCOc1ccc(CNc2nccs2)cc1OCC 35287238 XIWIEQINHKFGPV-UHFFFAOYSA-N 278.377 3.553 0 40 CHAB CSc1ncccc1C(=O)Nc1ccc(F)cc1C 7751255 GZQBZLOHSBIOQF-UHFFFAOYSA-N 276.336 3.503 0 40 CHAB CC[C@@H](C)NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C 48256122 XGHYIFSECLHDAW-GFCCVEGCSA-N 291.395 3.510 0 40 CHAB O=C(CCCc1cccs1)N1CCC[C@@H]1c1ccc[nH]1 48368576 NAVDBSKCHLFZCH-OAHLLOKOSA-N 288.416 3.763 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2cc(F)ccc2C)s1 7950533 BUWZLBSLPSDMEN-UHFFFAOYSA-N 277.320 3.651 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 3556171 FWGNVHOQUMHFRD-UHFFFAOYSA-N 255.292 3.567 0 40 CHAB Cc1cc2ccccc2n1CC(=O)Nc1ccccc1F 6390265 BTZKPFZUMFZCKY-UHFFFAOYSA-N 282.318 3.728 0 40 CHAB CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 69451751 MCOPFALSNXBZAU-XJKSGUPXSA-N 299.418 3.766 0 40 CHAB CSc1nccc(Oc2cccc(Cl)c2)n1 17117832 WVWHFECMEDJSRR-UHFFFAOYSA-N 252.726 3.644 0 40 CHAB Cc1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)c(C)c1 9858336 SFVXAYWQRXMUOX-UHFFFAOYSA-N 293.370 3.751 0 40 CHAB O=C(Nc1cccc(N2CCCCCC2)c1)N1CCCC1 77723727 VYFPYHIZGQOKTR-UHFFFAOYSA-N 287.407 3.695 0 40 CHAB OCCSc1ccc(Cl)c(Cl)c1Cl 22124721 GJQIMMARXCPJKB-UHFFFAOYSA-N 257.569 3.731 0 40 CHAB COC(=O)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408728890 WAKZGPJHWHFMJS-UHFFFAOYSA-N 287.746 3.647 0 40 CHAB CCCNc1ncccc1[C@@H]1CCCCN1CCC 72213152 VCXJHTFDJVRVOF-HNNXBMFYSA-N 261.413 3.841 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1ccccc1 32889952 KOYHIYIEARGYLR-GOEBONIOSA-N 255.361 3.706 0 40 CHAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1 225687365 BFBNJPIKUWUGJA-KRWDZBQOSA-N 293.407 3.865 0 40 CHAB Cc1ccc(CC(=O)N(C)c2ccccc2)c(C)c1 225289207 ZGPXCSBWYXSLTA-UHFFFAOYSA-N 253.345 3.509 0 40 CHAB Cc1c(-c2cc(F)ccc2F)nn(Cc2ccccc2)c1N 199750116 FYHNYDAYRWXIQQ-UHFFFAOYSA-N 299.324 3.767 0 40 CHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)C(C)C 225230492 GHSFOPHDBRMULR-GJZGRUSLSA-N 277.408 3.622 0 40 CHAB CC[C@@H](C(=O)O)N(C)c1ccccc1Oc1ccccc1 225006350 PSWBMDJMOIAKLB-AWEZNQCLSA-N 285.343 3.778 0 40 CHAB CC(=O)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1 89208925 RLFAOFKOUOJDMN-UHFFFAOYSA-N 259.305 3.627 0 40 CHAB Cc1cc(C)cc(O[C@H](Cc2ccccc2C)C(=O)O)c1 225015334 ZVRAVYKPJFOZKR-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CC(C)C(NC(=O)CCc1ccccc1F)C(C)C 224195888 IERWMFQWTFPIIX-UHFFFAOYSA-N 265.372 3.555 0 40 CHAB O=C(Cc1ccccc1F)Nc1cncc2ccccc12 89762253 HOEDDRRLZQIJMK-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB CCOc1cc(OC(F)(F)F)ccc1Br 95915487 OPKZEZVDRCJEGC-UHFFFAOYSA-N 285.059 3.746 0 40 CHAB CCCCOc1c(C)cc(C(=O)OCC)cc1C 95095323 PTGWSZRWSHXQFO-UHFFFAOYSA-N 250.338 3.659 0 40 CHAB c1csc(SCc2noc(-c3ccoc3)n2)c1 96409101 RXDFCNGLQPJQGV-UHFFFAOYSA-N 264.331 3.683 0 40 CHAB CCCC[C@@H]1CC1(Br)Br 90428768 MNKZKQIKLRLXOW-ZCFIWIBFSA-N 255.981 3.683 0 40 CHAB O=C(NCCCc1cc2ccccc2o1)c1ccsc1 390831775 UUYNBGVRCLAPPK-UHFFFAOYSA-N 285.368 3.857 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1ccc(N(C)C)cc1 95916319 BHGXXSAAXSBDEF-UHFFFAOYSA-N 289.762 3.646 0 40 CHAB O=C(O)c1cccc(OCc2ccccc2OC(F)F)c1 37208100 UGFHLOYCSQLPNJ-UHFFFAOYSA-N 294.253 3.565 0 40 CHAB in-vitro CC(NC(=O)OC(C)(C)C)=C1C=C[C](Br)C=C1 1560406749 WPTRWMKKXOKYCM-UHFFFAOYSA-N 299.188 3.838 0 40 CHAB CCC1=CC[C@@H]2C(=O)[C@H]3CC(CC)=CC[C@H]3C(=O)[C@H]2C1 5707165 GOMMMKUEQAMXCG-FZKCQIBNSA-N 272.388 3.863 0 40 CHAB CC(C)Oc1cccc(CCCNC(=O)c2ccccc2)c1 13668930 ATWBTRCPRDBUSU-UHFFFAOYSA-N 297.398 3.836 0 40 CHAB COc1ccc(CCC(=O)Nc2c(F)cccc2F)cc1 15011110 BWAAYTSGDKXAMK-UHFFFAOYSA-N 291.297 3.545 0 40 CHAB COc1cccc(-c2ccc(CNCc3ccncc3)o2)c1 15356877 ZNJYQMGZDVMBIQ-UHFFFAOYSA-N 294.354 3.640 0 40 CHAB COc1cccc(OCc2nc3cc(Cl)ccc3[nH]2)c1 15833465 PYBJMDTZVPMBFE-UHFFFAOYSA-N 288.734 3.804 0 40 CHAB Cc1cccc(NC(=O)CNc2ccc(F)cc2Cl)c1 7972510 KFSZDIZKNJWMPX-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB Cc1n[nH]cc1CN[C@@H](C)c1ccccc1C(F)(F)F 38011114 PHOWRRKAQZYGHH-JTQLQIEISA-N 283.297 3.588 0 40 CHAB CCCNC(=O)Nc1ccccc1-c1ccccc1 43468465 UKAIVIGBELOQMH-UHFFFAOYSA-N 254.333 3.885 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1cn(C)c2ccccc12 5265697 JLIYNKZKLNKSSI-GXTWGEPZSA-N 285.391 3.879 0 40 CHAB CCOC(=O)CCCC(=O)c1cc(C)c(Cl)c(C)c1 575357558 LBJMKOPSDCGPJA-UHFFFAOYSA-N 282.767 3.873 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1Cl 3195550 ARBMKLCIWLVNOQ-GHMZBOCLSA-N 251.757 3.743 0 40 CHAB C[C@@H](N(C)C(=O)c1cn(C)c2ccccc12)C(C)(C)C 30423055 BVOCEPPHHDKRBQ-GFCCVEGCSA-N 272.392 3.685 0 40 CHAB CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 130255 CCRNXJJERVYHEO-UHFFFAOYSA-N 293.322 3.608 0 40 CHAB in-vivo CC(C)[C@@H](C)NCc1ccc(F)c(Br)c1 20305450 XZFXDIXPMXGVHK-SECBINFHSA-N 274.177 3.722 0 40 CHAB CCCCCc1ccc(C(=O)CCCC(=O)O)cc1 2579959 VYJQDSMGJZYNCN-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB CC(C)CNCCCNc1ccnc2cc(Cl)ccc12 1706242 VPQZVXHFPVTVSO-UHFFFAOYSA-N 291.826 3.936 0 40 CHAB O[C@H](c1cc2c(c3ccccc13)CCCC2)[C@H]1CCCCN1 1706371 OBRVSZOCVKHAJH-WOJBJXKFSA-N 295.426 3.894 0 40 CHAB O=Cc1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1 31976044 XUFNBLVXOZFFES-BJMVGYQFSA-N 286.714 3.771 0 40 CHAB O=c1cc(C(F)(F)F)occ1-c1ccc(Cl)cc1 6602086 RUFSDGDDIKGPSL-UHFFFAOYSA-N 274.625 3.979 0 40 CHAB CCOc1ccc(/C=N/c2ccc(C)cc2)cc1C(=O)O 6963932 PZZFZZVGTDEDTM-WOJGMQOQSA-N 283.327 3.843 0 40 CHAB O=C(Nc1cccc2ncccc12)[C@H]1C[C@@H]1c1ccccc1 27926211 JSGNNWOACJXTDF-CVEARBPZSA-N 288.350 3.977 0 40 CHAB O=C(C1CC1)N1CCc2sccc2[C@@H]1c1cccs1 7947888 QUFLVJGFOJATEO-CQSZACIVSA-N 289.425 3.694 0 40 CHAB Brc1ccc2c(c1)CN(c1ccccc1)C2 59503627 UMQOOOLOJVYBSY-UHFFFAOYSA-N 274.161 3.969 0 40 CHAB Cc1cc(CNc2cc(Cl)ccc2Cl)no1 58337367 RRCZKUCRCIHTHC-UHFFFAOYSA-N 257.120 3.902 0 40 CHAB CN(Cc1ccsc1)C(=O)Nc1ccccc1F 12889990 PPYYVYZGTYYQTK-UHFFFAOYSA-N 264.325 3.551 0 40 CHAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1 408530990 TVHYQFXUCKSCKY-UHFFFAOYSA-N 294.285 3.502 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)CCc2c[nH]c3ccccc23)C1 12923459 CSBPTYOWQYCQIA-KBPBESRZSA-N 284.403 3.605 0 40 CHAB CCOc1ccc(Oc2ccccc2C(=O)OC)cc1 4105332 PXOFHTLLNDKBKA-UHFFFAOYSA-N 272.300 3.664 0 40 CHAB CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 6022582 QIPBCHNURIYTQK-UHFFFAOYSA-N 272.373 3.647 0 40 CHAB CCOC(=O)CCN(Cc1ccccc1)Cc1ccccc1 39988527 BBDKGMMFFHIING-UHFFFAOYSA-N 297.398 3.642 0 40 CHAB CCc1ccc(NC(=O)c2cc(C)nc3onc(C)c23)cc1 14266935 AUTRKXUSLYLAAG-UHFFFAOYSA-N 295.342 3.654 0 40 CHAB COc1cccc2c1O[C@@H](C)N1N=C(c3ccccc3)C[C@@H]21 5562867 RDVAKRDQKQGPIM-LRDDRELGSA-N 294.354 3.585 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1C[C@H](C)C[C@@H](C)C1 4871747 UEQWWPMREGCWDQ-CHWSQXEVSA-N 284.403 3.637 0 40 CHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nccs1 6890333 GXRUAOALEMSBQT-UHFFFAOYSA-N 294.379 3.991 0 40 CHAB O=c1[nH]c(=S)[nH]c2c1[C@@H](C1CCCC1)Cc1ccccc1-2 5819285 MUNVOGVGJHJIBF-CYBMUJFWSA-N 298.411 3.929 0 40 CHAB O[C@@H](Cc1nc2ccccc2n1C(F)F)c1ccccc1 9338073 MWZYMZVPXZSFHX-AWEZNQCLSA-N 288.297 3.708 0 40 CHAB CCCn1c(NC(=O)c2ccc(C)o2)nc2ccccc21 9467361 BRECCZMTYPLSES-UHFFFAOYSA-N 283.331 3.600 0 40 CHAB Cc1ccc(C2=CCN(C(=O)Nc3cc(C)on3)CC2)cc1 9885436 OXKKTGPXNPTRFL-UHFFFAOYSA-N 297.358 3.613 0 40 CHAB O=C(N[C@@H]1CCCc2occc21)C1(c2ccccc2)CC1 84525087 RXSOPPZTVCCVPB-OAHLLOKOSA-N 281.355 3.505 0 40 CHAB O=C(O)c1cc(Cl)c(Cl)c(OC(F)(F)F)c1 98210729 IRWAVKNUXZPMLN-UHFFFAOYSA-N 275.009 3.590 0 40 CHAB Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(N)c1 20193785 WBFFCTKVRGRQMO-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB COc1ccc2occ(CC(=O)Nc3ccccc3C)c2c1 39882392 NVQQFICCCJRLQQ-UHFFFAOYSA-N 295.338 3.931 0 40 CHAB Cc1cc([C@H](C)N)cnc1SC1CCCCC1 72222799 BDNXJUGOGFLWFI-NSHDSACASA-N 250.411 3.835 0 40 CHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(F)cc1 38880431 OFNHIOKKOUNWMH-ZIAGYGMSSA-N 295.398 3.926 0 40 CHAB CN(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 31961902 WWYMRAQFSAKRMQ-MRXNPFEDSA-N 275.779 3.505 0 40 CHAB O=C(O)CSc1ccc(Br)c2ccccc12 72227004 UROMRFQHBJKGKR-UHFFFAOYSA-N 297.173 3.779 0 40 CHAB CC(=O)c1c(Cl)[nH]c2ccc(Br)cc12 71465457 XOKNMNHUQXJHHG-UHFFFAOYSA-N 272.529 3.786 0 40 CHAB CC(C)(C)C(=O)NC[C@H](c1ccsc1)c1ccco1 675007829 SYXIRGFPFFPTBZ-GFCCVEGCSA-N 277.389 3.635 0 40 CHAB CCCCCC(=O)Nc1c(C)cc(N)cc1Cl 226755772 PFTSUPMCYGHPHG-UHFFFAOYSA-N 254.761 3.749 0 40 CHAB CC(C)CCN(C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 44488030 HJNPUYVBCCETAV-RYUDHWBXSA-N 279.346 3.860 0 40 CHAB COc1cc(SC)ccc1NC(=O)c1ccsc1 192708250 JVOZIFWCYNKNKV-UHFFFAOYSA-N 279.386 3.731 0 40 CHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1 225063018 BJJZJYINEDVKBX-CQSZACIVSA-N 295.382 3.971 0 40 CHAB c1ccc(-c2nnc([C@H]3CCN(C4CCCCC4)C3)o2)cc1 49169307 CTHYXFFTAJWTJS-HNNXBMFYSA-N 297.402 3.859 0 40 CHAB biogenic,in-vitro CCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1Cl 225687143 LHNXWHUNNWALPN-OAHLLOKOSA-N 299.798 3.882 0 40 CHAB O=C(O)CC1(c2cccc(C(F)(F)F)c2)CCC1 98213978 OHRLLAYLTYKHEH-UHFFFAOYSA-N 258.239 3.602 0 40 CHAB Cc1cccc2cc(C(=O)Nc3ccc4c(c3)OCO4)oc12 148065198 ZEILVRBRINAKLL-UHFFFAOYSA-N 295.294 3.722 0 40 CHAB CSc1ccc(C(=O)C(F)(F)C(F)(F)F)cc1 95917276 WVSVDVNBQXIBNQ-UHFFFAOYSA-N 270.222 3.789 0 40 CHAB CCc1ccccc1C(=O)Cc1ccc(OC)cc1 95916912 BBAXMJOJXKUUDL-UHFFFAOYSA-N 254.329 3.683 0 40 CHAB O=C(/C=C/c1ccco1)NC1(c2cccs2)CCCC1 390827564 HTKOFUKWGIAOGW-BQYQJAHWSA-N 287.384 3.940 0 40 CHAB CCCC(=O)c1c(F)cc(Br)cc1F 164035001 GQCMPPOLHFYPFF-UHFFFAOYSA-N 263.081 3.710 0 40 CHAB Oc1cccc(OCCCC(F)(F)C(F)(F)F)c1 1083811021 NFEMLAIVPXPJFC-UHFFFAOYSA-N 270.197 3.749 0 40 CHAB CCCCOCCNc1ccccc1Br 49261937 YQIVNEWPPXHUTA-UHFFFAOYSA-N 272.186 3.678 0 40 CHAB in-vitro Nc1cccc(Cl)c1NC(=O)Cc1ccc(Cl)cc1 50352581 BAHMUUFAJVLWDQ-UHFFFAOYSA-N 295.169 3.757 0 40 CHAB CCCn1ccc2cc(NC(=O)C[C@H]3CCCO3)ccc21 51420998 CLASPDRCKMOVNQ-OAHLLOKOSA-N 286.375 3.559 0 40 CHAB Cc1ccc(NC(=O)Nc2cccc([C@@H](C)O)c2)cc1 16293108 VCHDRFYHZSPKKF-GFCCVEGCSA-N 270.332 3.692 0 40 CHAB CO[C@H]1CCCN(C2CCCC2)[C@H]1Cc1cccc(F)c1 1615140677 UDWJAZDMQXJQPH-ROUUACIJSA-N 291.410 3.790 0 40 CHAB c1ccc(-c2csc(CN3CCCCC3)n2)cc1 1671695 DIFHNMBHVDTGSZ-UHFFFAOYSA-N 258.390 3.796 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1C 13391273 YOVPLCCZCCMMDR-UHFFFAOYSA-N 283.327 3.562 0 40 CHAB Cc1cccc(C)c1OCC(=O)NC1CCCCCCC1 14291986 GNRRARCMYLBIFB-UHFFFAOYSA-N 289.419 3.911 0 40 CHAB COC(=O)/C=C(\C)Nc1ccc(-c2ccccc2)cc1 16954406 FFYDTCRBQCEEPU-OUKQBFOZSA-N 267.328 3.842 0 40 CHAB Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1N 19270661 YMUHUCPOTMNHLS-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 19931399 BNBGEQJCGXCJFO-HNNXBMFYSA-N 267.372 3.723 0 40 CHAB CC(C)(C)c1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)cc1 208024778 GXPZHUAMDWJNTL-HOTGVXAUSA-N 269.388 3.917 0 40 CHAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 19935127 YXXFEQTYIBLCTJ-UHFFFAOYSA-N 263.646 3.707 0 40 CHAB CC(=O)c1cccc(NC(=O)N2CCCCCCC2)c1 20515162 UQRUSAKNZZKRSQ-UHFFFAOYSA-N 274.364 3.687 0 40 CHAB COc1ccc(CNc2ncnc3c(C)csc23)cc1 191133848 PMKNUCVMCLGVCI-UHFFFAOYSA-N 285.372 3.620 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1 36070 KSGYNIJHKSODEW-UHFFFAOYSA-N 268.360 3.940 0 40 CHAB CCCCOc1cccc(CNC(=O)c2ccoc2C)c1 40122179 FAEPUVDLRKZBCD-UHFFFAOYSA-N 287.359 3.697 0 40 CHAB Clc1ccc(-c2n[nH]cc2CNCc2ccco2)cc1 40464599 QWLWGDDQPPIYGS-UHFFFAOYSA-N 287.750 3.613 0 40 CHAB O=C1O[C@@H](Nc2cccc(Cl)c2)c2ccccc21 91672 MEBHCKMOSYYRNR-CYBMUJFWSA-N 259.692 3.621 0 40 CHAB Cc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccccc1 276098 IWWDJFYCPQVMDZ-UHFFFAOYSA-N 290.366 3.575 0 40 CHAB Clc1c(-c2ccccc2)nnn1-c1ccccc1 383876 JROKPQGOVFIVIM-UHFFFAOYSA-N 255.708 3.588 0 40 CHAB CC(=O)Nc1ccc(C(C)(C)c2ccccc2)cc1 1667608 QYPRFSHQORMAMW-UHFFFAOYSA-N 253.345 3.971 0 40 CHAB NCc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3709643 RTHXSCLXINJFDQ-UHFFFAOYSA-N 266.369 3.936 0 40 CHAB CCn1c(NCc2ccccc2OC)nc2ccccc21 531034 AWACKYBLSACVPZ-UHFFFAOYSA-N 281.359 3.677 0 40 CHAB CCCCCCC(=O)c1ccc(OC)c(OC)c1 53762759 QPDFTBFBWLACSD-UHFFFAOYSA-N 250.338 3.857 0 40 CHAB Cc1nc(CC(=O)N[C@@H](C)c2ccccc2Cl)cs1 23689098 SRBINZUVQGMKHH-VIFPVBQESA-N 294.807 3.525 0 40 CHAB Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)SC1 12436463 ZXFPGFBEAAFTOL-UHFFFAOYSA-N 264.350 3.501 0 40 CHAB Cc1ccc(-c2c(C(=O)O)cnn2-c2ccccc2)cc1 75419363 XZCLJDMHZOAYNW-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB CCn1ccc2cc(NC(=O)Cc3cccs3)ccc21 58023904 UTGDYPABWFQOGI-UHFFFAOYSA-N 284.384 3.904 0 40 CHAB Cc1cc(C(=O)c2ccccc2C(F)(F)F)ccn1 45038439 OSDWIBRESXCOAH-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 8586531 YSYIACKWELNPOX-UHFFFAOYSA-N 292.338 3.830 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CC[C@@H]1C3=NN[C@@H]1c1ccco1 3905314 LPRZUORTNAVOLN-LRDDRELGSA-N 291.354 3.680 0 40 CHAB Cc1nc2ccccc2nc1SCC(=O)c1ccccc1 4070808 WALPUBAYWYVFIY-UHFFFAOYSA-N 294.379 3.913 0 40 CHAB Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1C 5034232 IHFVUYKAAKJAHJ-UHFFFAOYSA-N 279.339 3.718 0 40 CHAB O=C(O)[C@@H](Sc1ccccc1F)c1ccccc1 19410678 LSWNWRLXKSNLNG-ZDUSSCGKSA-N 262.305 3.744 0 40 CHAB in-vitro COC(=O)c1cccc(Oc2c(N)cccc2Cl)c1 14629265 GZLIVHOEGTZZJM-UHFFFAOYSA-N 277.707 3.501 0 40 CHAB Cc1cccc(CNC(=O)c2ccc(Cl)cc2)c1 6924230 UUZNBCLZHBUBMO-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC2 20569895 HGVJDMPQHDEPHE-WBMJQRKESA-N 272.392 3.876 0 40 CHAB Cc1csc(NC(=O)[C@@H](C)Nc2ccc(C)c(C)c2)n1 7460204 NWVRGFDNKFSBCC-GFCCVEGCSA-N 289.404 3.507 0 40 CHAB COc1cc(C)c(NC(=O)CCC2CCCC2)cc1OC 15948881 MMVSWTIDMSGQPH-UHFFFAOYSA-N 291.391 3.921 0 40 CHAB CCc1ccc(OCCNc2ccccc2OC)cc1 19737983 MYJOWAIEXCKUKJ-UHFFFAOYSA-N 271.360 3.749 0 40 CHAB CC[C@H](NC(=O)c1c(OC)cccc1OC)c1ccccc1 20490020 CYKWMLVTBHJVJS-AWEZNQCLSA-N 299.370 3.585 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)[C@@H](C(=O)c2ccccc2)C1=O 19924630 VPTKSNILIUZETI-YUELXQCFSA-N 258.361 3.757 0 40 CHAB Cc1oc(-c2cccs2)nc1CS[C@H](C)[C@H](C)O 79060073 WDVVCCSIBYNXJW-WCBMZHEXSA-N 283.418 3.714 0 40 CHAB C[C@H](N[C@H](c1ccccc1)c1ccccn1)c1ccccn1 95349352 RDOQRUWYOYYMFD-HNAYVOBHSA-N 289.382 3.917 0 40 CHAB Clc1ncc(Br)c(-c2cccs2)n1 88246654 JVYDJRDLCCLRRJ-UHFFFAOYSA-N 275.558 3.621 0 40 CHAB COc1ccc([C@@H](C)NC(=O)c2sccc2C)cc1F 24078493 ZOCMGXOUDMRGJY-SNVBAGLBSA-N 293.363 3.695 0 40 CHAB CCNc1nnc(S[C@H]2CCc3ccccc3C2)s1 95941660 UUNIDQTZNSXNLT-LBPRGKRZSA-N 291.445 3.620 0 40 CHAB CCSc1nnc(S[C@@H](C)C(F)(F)F)s1 89279670 VJNIRHAPGKUJLF-BYPYZUCNSA-N 274.358 3.693 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3[C@H](O)[C@@H](O)CC[C@]3(C)[C@H]1CC2 123385091 REEYLTSFIVPASH-PTJJILBHSA-N 292.463 3.751 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1Cl 72211496 DDYMZJRYWRFQMF-LLVKDONJSA-N 282.771 3.807 0 40 CHAB C[C@]12C=C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 38207320 RZFGPAMUAXASRE-MFXFBURESA-N 290.447 3.527 0 40 CHAB OCc1ccc2oc(-c3cccc(Cl)c3)nc2c1 75411414 NIOBPHJIPXCPRB-UHFFFAOYSA-N 259.692 3.641 0 40 CHAB O=C(NC12CCC(C(F)F)(CC1)C2)OCc1ccccc1 226115806 TXSIGRJLONXZTF-UHFFFAOYSA-N 295.329 3.881 0 40 CHAB CCCCc1ccc2nccc(NCCCNC)c2c1 222683223 GAMNBMXCCKNDPW-UHFFFAOYSA-N 271.408 3.599 0 40 CHAB COC(=O)[C@H](C)N1c2cc(Cl)ccc2[C@@H](C)CC1(C)C 223830108 DRDKTBPPDHCOIQ-QWRGUYRKSA-N 295.810 3.994 0 40 CHAB CN(Cc1ccccc1F)C(=O)c1ccc(Cl)cc1 49929567 IJZIBDDKCPLNPM-UHFFFAOYSA-N 277.726 3.751 0 40 CHAB C[C@H](NC(=O)CCCOc1ccccc1)c1ccccc1 46465832 MMGGXWRBGPBLFJ-HNNXBMFYSA-N 283.371 3.723 0 40 CHAB CC1(NC(=S)Nc2ccc(F)cc2F)CCCCC1 225857609 PMYWSTKRAGQHKW-UHFFFAOYSA-N 284.375 3.974 0 40 CHAB O=C(CCCOc1ccccc1)NCC1CCCCC1 224142679 NELPTPROUVOFEP-UHFFFAOYSA-N 275.392 3.542 0 40 CHAB Cc1cc(C[C@H](C)N[C@@H](C)c2cc3ccccc3o2)n[nH]1 90532036 KEFRMYALNWOVLA-AAEUAGOBSA-N 283.375 3.746 0 40 CHAB Cc1nc([C@@]2(C)CCCN(CC(C)C)C2)c2sccn12 257301431 RYKNEYGQKJDPMA-INIZCTEOSA-N 291.464 3.714 0 40 CHAB Cc1ccc(CN[C@H](C)c2c(C)nn(C)c2C)c(C)c1 253422845 CVQDQMKBXYWZOO-CYBMUJFWSA-N 271.408 3.505 0 40 CHAB Brc1ccccc1CNCc1cccs1 20139467 DCVBXVLDASGLQG-UHFFFAOYSA-N 282.206 3.800 0 40 CHAB COc1cc(C(=O)c2ccc(C)c(F)c2)ccc1F 95916957 PMGBKDKWKLWWON-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB CCc1ccc(C[C@@H](C)NCc2ccccc2OC)cc1 575440738 WWWBFWRUWWKJIJ-OAHLLOKOSA-N 283.415 3.978 0 40 CHAB in-vitro FC(F)Sc1cc(Br)c2[nH]cnc2c1 604221542 JFPPBDNAFSUTAP-UHFFFAOYSA-N 279.109 3.640 0 40 CHAB CO[C@H]1CCCC[C@H]1N[C@@H]1CCCc2ccccc21 4133240 CRUFBTYGTDNZMU-ZACQAIPSSA-N 259.393 3.611 0 40 CHAB CC1(C)c2ccccc2N2Cc3cc(N)ccc3O[C@@]21C 5261051 OZDFXZZIKWRKJR-GOSISDBHSA-N 280.371 3.675 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)CCc1ccccc1 15471804 XYMDDLYYCFBABL-AWEZNQCLSA-N 283.371 3.505 0 40 CHAB CC(C)Oc1ccc(C(=O)NC2CCC(F)(F)CC2)cc1 390830133 IYYHNHNJNBQSJY-UHFFFAOYSA-N 297.345 3.782 0 40 CHAB CCCOc1ccc(NC(=O)OC(C)(C)C)cc1 7660391 CCHNDVYPXAWUCC-UHFFFAOYSA-N 251.326 3.822 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(F)cc1 573353 RNOAOYLUGGSORJ-NTUHNPAUSA-N 273.694 3.972 0 40 CHAB CC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2C)s1 12976039 MBRIQVIZPFUGGW-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB C[C@@H](CN1c2ccccc2Sc2cccnc21)N(C)C 404 OQJBSDFFQWMKBQ-LBPRGKRZSA-N 285.416 3.634 0 40 CHAB biogenic,world O=C(NCc1cc(-c2ccoc2)cs1)c1ccsc1 1775969990 WISQVCJGWCARSJ-UHFFFAOYSA-N 289.381 4.000 0 40 CHAB O=C(COc1ccccc1)c1cccc(F)c1Cl 575242972 OXZOWLQDVVKSPE-UHFFFAOYSA-N 264.683 3.741 0 40 CHAB CC(C)N(C(=O)[C@H](C)Nc1ccc2c(c1)CCC2)C(C)C 40001146 DKBFGCXCSQPTKA-AWEZNQCLSA-N 288.435 3.621 0 40 CHAB Cc1cc(-n2c(=S)[nH]c3ccsc3c2=O)ccc1F 100020573 VRFZTHLCQUYXBX-UHFFFAOYSA-N 292.360 3.557 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cccc(F)c1 20081906 FQFZGFYGCVKNLK-QGZVFWFLSA-N 296.345 3.551 0 40 CHAB biogenic,in-vitro Cc1cc2nc(NC(=O)CC(C)C)sc2cc1C 363116 QQAZSTDGJRYFAJ-UHFFFAOYSA-N 262.378 3.898 0 40 CHAB Cc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 505950 LEYPLWYNVIDBPR-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB CCCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 577460 DRCXEYSZPDCUOX-UHFFFAOYSA-N 279.343 3.764 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1cccc(OC2CCCC2)c1 29028406 JDXOJYLZNQXQLU-XHDPSFHLSA-N 259.349 3.603 0 40 CHAB COc1ccc(C2=Nc3cc(C)ccc3OC2)cc1 1404538 IJSRZRBTLZHKOY-UHFFFAOYSA-N 253.301 3.517 0 40 CHAB CCOC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1661499 IYDQGWFEMQZKDG-UHFFFAOYSA-N 253.301 3.826 0 40 CHAB CC(C)OC(=O)Nc1cc(C(F)(F)F)ccc1F 1682764 SJKKIMHMGRPHDU-UHFFFAOYSA-N 265.206 3.801 0 40 CHAB c1ccc(N2N=N[C@@H]3CCCC[C@]32N2CCCCC2)cc1 1720265 UETWMCKMAXGEOO-IAGOWNOFSA-N 284.407 3.999 0 40 CHAB C[C@@H]1CC=CC[C@@H]1COCc1cccc(C(=O)O)c1 20519068 XXFBBSJHZMRSHZ-IUODEOHRSA-N 260.333 3.504 0 40 CHAB in-vitro Cc1cccc(C(=O)Nc2nnc(CC(C)C)s2)c1C 2642099 BKZSLWMNCYAGES-UHFFFAOYSA-N 289.404 3.606 0 40 CHAB Cc1cc(NC(=O)c2ccc(F)cc2)c2ccccc2n1 3136100 GOYZKNDIPCLQKJ-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB CC(C)CCNC(=O)Cc1csc(-c2ccccc2)n1 3444807 XTQIZLGQVHGRBI-UHFFFAOYSA-N 288.416 3.515 0 40 CHAB CCOc1ccc(C(=O)CCCCCCC(=O)O)cc1 2579976 QVAGLYGPTOYQLX-UHFFFAOYSA-N 278.348 3.693 0 40 CHAB COC(=O)c1ccc(-c2ccc(CNC(C)(C)C)o2)cc1 6882567 JBXPHFGCNVUICG-UHFFFAOYSA-N 287.359 3.621 0 40 CHAB COC(=O)/C=C(/C)Nc1ccc(-c2ccccc2)cc1 104085744 FFYDTCRBQCEEPU-SEYXRHQNSA-N 267.328 3.842 0 40 CHAB O=C(NCCc1cccc2ccccc12)[C@H]1CC=CCC1 32915109 QUPSQTRNXNMUCN-KRWDZBQOSA-N 279.383 3.855 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2ncnc3c2[nH]c2ccccc23)C1 521462 BAGPADIMSAEOGA-VXGBXAGGSA-N 280.375 3.593 0 40 CHAB COc1ccc2c(=O)cc(-c3ccccc3F)oc2c1 520853 HBRUOCZQTGICHR-UHFFFAOYSA-N 270.259 3.608 0 40 CHAB biogenic CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1 2744481 BARIIFZXUOIJGU-CYBMUJFWSA-N 251.757 3.745 0 40 CHAB O=C(O)c1cc(-c2cccs2)nc2onc(C3CC3)c12 22219820 PDWNCPRTWRQPJU-UHFFFAOYSA-N 286.312 3.527 0 40 CHAB Cc1nc(/C=C/C(=O)N[C@@H](c2ccccc2)C2CC2)cs1 12230414 ULYVBPPDZOJPNT-FVNWOWOISA-N 298.411 3.732 0 40 CHAB Cc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)s1 981501 FXFBJCNBUURCLC-POHAHGRESA-N 267.375 3.501 0 40 CHAB CC(C)CN(CC(C)C)C(=O)[C@H](C)Oc1ccccc1 59240521 HXVSCTUYQNTWOI-HNNXBMFYSA-N 277.408 3.595 0 40 CHAB Cc1nc(NC(=O)Nc2cccc(F)c2)sc1C 27922804 IOOHDUGMBXWVGO-UHFFFAOYSA-N 265.313 3.543 0 40 CHAB CCOc1ccc(C(=O)O)cc1COc1ccc(C)cc1 24548907 UNNITKDFJMSPMG-UHFFFAOYSA-N 286.327 3.671 0 40 CHAB COc1ccc(-c2oc3ccccc3c2N)cc1OC 62716540 RIKBWWMYUPSIMQ-UHFFFAOYSA-N 269.300 3.699 0 40 CHAB CC(C)(CC(=O)c1ccc2ccccc2c1)C(=O)O 2378761 JVNZDQCGRCMVLF-UHFFFAOYSA-N 256.301 3.523 0 40 CHAB CN(Cc1ccc(F)cc1F)C(=O)Nc1ccccc1F 12779365 OQKUOAUIIYBWRR-UHFFFAOYSA-N 294.276 3.768 0 40 CHAB Cc1occc1C(=O)NCCc1ccc(C(F)(F)F)cc1 12791074 LCCJGXNVBUPJMI-UHFFFAOYSA-N 297.276 3.579 0 40 CHAB C[C@H]1C[C@H]1c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)o1 8111477 UIBFGRPQGHPBHC-NJMOLFHQSA-N 293.322 3.748 0 40 CHAB Cc1n[nH]c(C)c1CN[C@H](c1ccc(Cl)cc1)C1CC1 65473230 AKRAPELHNVXLPI-INIZCTEOSA-N 289.810 3.921 0 40 CHAB O=C(Nc1ccccc1Cl)c1ccc(F)cc1F 5558871 SILDNZGVRMRCMH-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB Cc1cc(C)c(NC(=O)CN2CCc3ccccc32)c(C)c1 6653612 INEYAHFYRCPMLG-UHFFFAOYSA-N 294.398 3.613 0 40 CHAB c1cnc2c(CSC3=N[C@@H]4CCCC[C@@H]4N3)cccc2c1 8935655 HMSGAMFZHSIYBJ-GASCZTMLSA-N 297.427 3.738 0 40 CHAB CC1(C)[C@@H](NCCc2ccccn2)C[C@H]1c1ccccc1 96009128 FTXAAYUKEPUHMN-ROUUACIJSA-N 280.415 3.796 0 40 CHAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1c1ccsc1 71835005 HNAIMGKAOSKTJL-MGPQQGTHSA-N 287.384 3.808 0 40 CHAB Cc1nc(Cl)cc(N[C@H]2C[C@]2(C)c2ccccc2)n1 72302125 ZNVLACNGVCRGMH-SWLSCSKDSA-N 273.767 3.581 0 40 CHAB CC(C)[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1 84456356 FONDVRJQMGTMBO-IBGZPJMESA-N 296.414 3.954 0 40 CHAB C[C@@H](OC1CCCCCC1)c1nc(-c2ccncc2)no1 95414593 DQKVAOKIUCYTQI-GFCCVEGCSA-N 287.363 3.932 0 40 CHAB Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1Cl 5002254 OSFJHIUSQRABHV-UHFFFAOYSA-N 271.751 3.975 0 40 CHAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12 118933805 ZWUOTDQQNZPUOC-LBYBGDIDSA-N 290.447 3.527 0 40 CHAB FC1[C@](F)(Cl)[C@](F)(Cl)[C@](F)(Cl)[C@]1(F)Cl 64220159 FQFOJXUQZIYKKN-ASQQECOQSA-N 297.865 3.957 0 40 CHAB CC1CCN([C@@H](CN)c2cc(Cl)cc(Cl)c2)CC1 37424716 BYAKMENAVNZXMC-AWEZNQCLSA-N 287.234 3.725 0 40 CHAB Cc1nc(N(C)C)ccc1[C@H]1CCCCN1CC(C)C 72218763 LEHNCYWRCSOTHX-MRXNPFEDSA-N 275.440 3.639 0 40 CHAB Cc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(C)CC3 3872302 KBEZZLAAKIIPFK-KBAYOESNSA-N 255.405 3.683 0 40 CHAB biogenic,in-man CCN1CCC[C@@H]1c1ccc(SC(C)C)nc1 72217472 XRFJEEBWVLLLOV-CYBMUJFWSA-N 250.411 3.739 0 40 CHAB CCN1CCC[C@H]1c1cccnc1Nc1ccccc1 72214130 JLGZLQINNHAURH-INIZCTEOSA-N 267.376 3.982 0 40 CHAB CC(C)(C)SCCNC(=O)c1cc2ccccc2o1 36644282 LJYLBSFIQQYFJH-UHFFFAOYSA-N 277.389 3.694 0 40 CHAB C[C@H](Sc1ccccn1)C(=O)NCCC1=CCCCC1 71877676 NCOTTZVIAWVONW-ZDUSSCGKSA-N 290.432 3.569 0 40 CHAB COc1ccc(O[C@@H](C)c2nc3ccc(F)cc3[nH]2)cc1 76555418 GQWQNQOFLGJZEL-JTQLQIEISA-N 286.306 3.851 0 40 CHAB COc1ccc2cc([C@H](O)c3cccs3)ccc2c1 49956061 INDFPBFZUVEILY-INIZCTEOSA-N 270.353 3.992 0 40 CHAB CC(C)[C@H]1C[C@H](N)c2ccccc2N1C(=O)OC(C)(C)C 252492250 MGPYHEWUULDAER-DZGCQCFKSA-N 290.407 3.856 0 40 CHAB Cc1c[nH]c([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1 257334213 YFAQFNGYWUUQPA-INIZCTEOSA-N 280.375 3.537 0 40 CHAB CC(C)(C(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 50535491 XPMIWSDGOZDJBK-UHFFFAOYSA-N 286.202 3.893 0 40 CHAB Fc1ccc2nccc(C3CCC4(CC3)OCCO4)c2c1 1772715028 RMTJPOUTNIIJNQ-UHFFFAOYSA-N 287.334 3.775 0 40 CHAB COc1cccc(NC(=O)COc2cc(C)cc(C)c2C)c1 5474494 CWPKHMFTKVKOCV-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB COC(=O)[C@]1(C)CC(c2ccccc2)=N[C@@H]1c1ccccc1 5722030 GFIPTHSKIGKABL-IEBWSBKVSA-N 293.366 3.800 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCc2ccccc21 14022553 NQXLOGVUQPWAPG-GOSISDBHSA-N 295.382 3.742 0 40 CHAB Clc1cnc2[nH]c(-c3c[nH]c4ccccc34)nc2c1 16525358 OOAPAARVXDOFDV-UHFFFAOYSA-N 268.707 3.760 0 40 CHAB O=C(NCc1ccccc1)C12CC3C[C@H](CC[C@H](C3)C1)C2 17179150 LIYKNPGBTGRXQK-GIOYIUAESA-N 283.415 3.909 0 40 CHAB O=C(Nc1ccccc1)Nc1cc(C(=O)O)ccc1Cl 19414485 NTNWDUSRCCWYJJ-UHFFFAOYSA-N 290.706 3.682 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(F)cc1 3614599 FGMUDLWMSXYSMB-KBVBDRTLSA-N 287.309 3.855 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)o1 7779131 SVPJLBVUYOSLEA-FLVLSHQESA-N 281.355 3.795 0 40 CHAB Cc1cc(C)c(Nc2nnc(S)s2)c(Cl)c1 7718462 VOGLVBXXGIEKMT-UHFFFAOYSA-N 271.798 3.841 0 40 CHAB O=C(O)C[C@@H](c1ccccc1)[C@@H](CC(=O)O)c1ccccc1 1597034 CDAXWFKYGWELRY-HOTGVXAUSA-N 298.338 3.503 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccc(F)cc1 3103895 WHQPNDYHAKGGDL-LBPRGKRZSA-N 251.345 3.772 0 40 CHAB O=C1c2ccccc2N[C@H](C2CCCCC2)N1C1CC1 7885914 MFKNJBSTWBGLIT-INIZCTEOSA-N 270.376 3.623 0 40 CHAB CC(=O)C(C(C)=O)[C@H](c1ccccc1)c1ccc(F)cc1 378241 SMOWHTNEIJQNDO-GOSISDBHSA-N 284.330 3.752 0 40 CHAB CCC(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 16273905 LZRRUSWYCDMCAT-UHFFFAOYSA-N 269.344 3.635 0 40 CHAB CCC[C@@H](C)NC(=O)Cc1csc(-c2cccs2)n1 9114300 NXGSLTWTPSFAQY-SNVBAGLBSA-N 294.445 3.719 0 40 CHAB Cc1sc(N2CCOCC2)nc1-c1ccc(Cl)cc1 21908577 DVYXRBVCYJOQGG-UHFFFAOYSA-N 294.807 3.609 0 40 CHAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1C 21975697 IDJFJAZMGWBOOA-UHFFFAOYSA-N 295.382 3.905 0 40 CHAB COc1ccccc1NC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101012837 KSASYBXWKGARSH-DGAVXFQQSA-N 288.391 3.641 0 40 CHAB Cc1ccccc1SCc1nc(N)c2ccccc2n1 59928953 WOIFXZDEIXCUPC-UHFFFAOYSA-N 281.384 3.813 0 40 CHAB COc1ccc(COC(=O)N/C=C/c2ccccc2)cc1 3105660 CNMQHIPKAUOQGF-VAWYXSNFSA-N 283.327 3.592 0 40 CHAB CC(C)c1ccc([C@@H](NC(=O)c2cnn(C)c2)C(C)C)cc1 23768518 QQRMAQXIPFAJBH-KRWDZBQOSA-N 299.418 3.671 0 40 CHAB Cc1cc(N2CCc3ccccc32)ncc1Br 42783508 AFDMQZPZIBSNKX-UHFFFAOYSA-N 289.176 3.847 0 40 CHAB COCc1cccc(NC(=O)NCc2sccc2C)c1 58057760 VQBXUNSGXOTWFG-UHFFFAOYSA-N 290.388 3.525 0 40 CHAB Cc1cccnc1NC(=O)NC1(c2ccc(F)cc2)CCC1 58161301 IKRMZRDIUINHSQ-UHFFFAOYSA-N 299.349 3.730 0 40 CHAB Cc1occc1NC(=O)Nc1ccc(Cl)cc1 8133020 XUPSKTNZJSCRGD-UHFFFAOYSA-N 250.685 3.885 0 40 CHAB Clc1ccc(COCC2CCNCC2)c(Cl)c1 28522019 OWTKCFGUMIZMDS-UHFFFAOYSA-N 274.191 3.510 0 40 CHAB O=C1OC(Cc2ccccc2)=N/C1=C/C=C/c1ccccc1 408844322 NIOLVQYRJJUIBW-LYXWDPSCSA-N 289.334 3.782 0 40 CHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCC1 3560641 SUWVVIKBIMHRHW-UHFFFAOYSA-N 294.326 3.827 0 40 CHAB NC(=O)c1cc(-c2ccccc2)cc2cc(C3CC3)[nH]c12 49582182 OJCOMPLMHUJDIH-UHFFFAOYSA-N 276.339 3.811 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(C)cs2)C1(C)C 24541909 BAIAYWRTTDLPLP-GHMZBOCLSA-N 264.394 3.628 0 40 CHAB CC[C@H](C)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 13746260 HNGYYWWRCDYVCY-QWHCGFSZSA-N 262.397 3.969 0 40 CHAB CCC[C@@H]1[C@H](c2ccco2)N[C@H](c2ccco2)C[C@@]1(C)O 4301520 KRWCRLSHEPHBQC-DLTLXFJOSA-N 289.375 3.816 0 40 CHAB CCN(Cc1ccccc1)Cc1ccccc1OC 13943844 OTAQEZHABFFRMA-UHFFFAOYSA-N 255.361 3.717 0 40 CHAB COc1ccc(OC)c(-c2csc(-c3ccccn3)n2)c1 6809620 WGKOWWWLTKUQEZ-UHFFFAOYSA-N 298.367 3.889 0 40 CHAB CN(C)c1cccc(C(=O)NC2CCCCCCC2)c1 8724156 WAJAGODRAKKKCD-UHFFFAOYSA-N 274.408 3.595 0 40 CHAB Cc1ccc(F)c(NC(=O)c2ccc3ncccc3c2)c1 71118892 LUTXPQVRYJSIPC-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB Cc1cc(N)ccc1NC(=O)c1ccccc1OC(C)C 19736428 XQFMBSUOZFTDDS-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB Cc1ccc(N)cc1NC(=O)COc1ccccc1C(C)C 19736052 YYUJPCXYPCXCGU-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB COc1ccccc1C(C)(C)NCc1ccc(C)o1 71799218 BMLANTPCHFTEIL-UHFFFAOYSA-N 259.349 3.622 0 40 CHAB CC(C)CCNCc1ccc(F)c(Br)c1 19912132 MWRLKAIOWMUSTM-UHFFFAOYSA-N 274.177 3.724 0 40 CHAB Cc1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 9899998 MZJARTMWDZUXGX-UHFFFAOYSA-N 290.366 3.675 0 40 CHAB Cc1cccc(CN(C)Cc2cc(C)nc3ccccc23)n1 76093207 PYYGJJVMCBKGPU-UHFFFAOYSA-N 291.398 3.879 0 40 CHAB Cc1ccc(Br)cc1C(=O)OC(C)(C)C 87743796 YROBYZPUNZSEFZ-UHFFFAOYSA-N 271.154 3.713 0 40 CHAB in-vitro CCSc1ccccc1OCc1csc(COC)n1 89275349 OHCWXTWMPAVVJF-UHFFFAOYSA-N 295.429 3.981 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)NCCC(C)C)cc1 31866840 LMHHZRRHEHDAHO-CYBMUJFWSA-N 265.422 3.638 0 40 CHAB CC(C)c1cccnc1NC(=O)c1ccnn1C1CCCC1 533111091 ZEYFVTYLXZGENK-UHFFFAOYSA-N 298.390 3.769 0 40 CHAB Clc1ccc(OCN2CCCCC2)c(Cl)c1 31666748 UQGFZMIPKPCFNF-UHFFFAOYSA-N 260.164 3.816 0 40 CHAB O=C(NCc1ccccc1)c1cc(-c2ccco2)cs1 72259974 AEBSRDZUELJORD-UHFFFAOYSA-N 283.352 3.938 0 40 CHAB O=C(NCCc1ccccc1)N[C@H](c1ccccc1)C1CC1 31028182 NCTCQNAQZKKAKY-GOSISDBHSA-N 294.398 3.680 0 40 CHAB Nc1cc(-n2cnc(Cl)c2Cl)cc(C(F)(F)F)c1 228927293 LILVFYBUKNHHNZ-UHFFFAOYSA-N 296.079 3.780 0 40 CHAB O=C(c1cccc(F)c1)N1CCCc2ccc(F)cc21 40117163 ZAJIMCHCSWBMBH-UHFFFAOYSA-N 273.282 3.558 0 40 CHAB Cc1nc(CC(C)C)oc1C(=O)O[C@H](C)c1nccs1 195579045 QNDSWGORAHBFKP-SNVBAGLBSA-N 294.376 3.556 0 40 CHAB CCOC(=O)c1ccc(Nc2ccc(C)c(C)c2)c(N)c1 41082263 QTIAOTYTPUMRNO-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB CCCCNCc1cccn1-c1cccc(C)c1C 223680451 ZMGVYVSPZKLWMW-UHFFFAOYSA-N 256.393 3.984 0 40 CHAB CC(C)CCCCNC(=O)N(C)[C@H](C)c1ccncc1 96419945 CIPFUBMPEHHMKQ-CQSZACIVSA-N 277.412 3.610 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1cccc(F)c1Cl 95916689 FXAWYOUECGAKOC-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB CC(C)c1cc(N2CCCC2)nc2c(N)cccc12 685938061 IEXUBRBTLMSXSA-UHFFFAOYSA-N 255.365 3.541 0 40 CHAB Nc1cccc(Cl)c1NC(=O)c1cc2ccccc2o1 50352582 AKWNIRMIDROIJG-UHFFFAOYSA-N 286.718 3.921 0 40 CHAB Cc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 574412 DFCJGOQMJSLFQQ-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB CCC[C@@H]1[C@@H](CC)C=C(CC)[C@H](O)[C@@]1(CC)CO 5707152 YFEVEUYLZHKMAO-UKMLZYKCSA-N 254.414 3.529 0 40 CHAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccccc1C 11950507 OWJWUMSEUIMNCR-CSKARUKUSA-N 298.338 3.680 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccccc1CC 13821445 VXHIGQHFYXXTDQ-NSHDSACASA-N 250.411 3.724 0 40 CHAB Cc1cc([C@@H]2CCCCCN2Cc2ccc(O)cc2)on1 19120267 VHROQJNJJAILJG-INIZCTEOSA-N 286.375 3.806 0 40 CHAB c1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC[C@@H]2CCOC2)cc1 19373872 BGTSCRBVFFYYHM-UJCHZGTJSA-N 285.431 3.585 0 40 CHAB O=C(Nc1cccc2ccccc12)c1cc(C2CC2)ncn1 1889036515 HRFNZFCGIDVYTQ-UHFFFAOYSA-N 289.338 3.760 0 40 CHAB CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(Cl)cc1-2 1698853 ZXUAMTPSBLXHQF-UHFFFAOYSA-N 271.703 3.510 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)Nc1c[nH]c2ccccc12 5299807 ZJJQEGRGFHAJNY-RYUDHWBXSA-N 271.364 3.963 0 40 CHAB COc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1F 35423943 OZKSCUTXEHSPBC-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1cc(Cl)ccc1Cl 575360410 GEUYJXMWLJKMMX-UHFFFAOYSA-N 275.131 3.518 0 40 CHAB Cc1cccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)c1 176730 YZQBWUALWCXSEQ-LFIBNONCSA-N 277.323 3.648 0 40 CHAB c1ccc([C@H](c2c[nH]c3ccccc23)N2CCCC2)nc1 101813 KMUFNTCIBVGBFX-SFHVURJKSA-N 277.371 3.748 0 40 CHAB Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 81508 ZHJOMPVZQHLJTE-UHFFFAOYSA-N 259.161 3.623 0 40 CHAB Nc1cccnc1Oc1ccc(Cl)cc1Cl 132731 PDJZNBHGWZVWAU-UHFFFAOYSA-N 255.104 3.763 0 40 CHAB Cc1ccc(/C=C/C(=O)N2CCc3ccccc32)cc1 504575 CWNDSZGPYAAKMD-ZHACJKMWSA-N 263.340 3.598 0 40 CHAB Cc1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)nc1 20407239 WKQZMFSELYWFDR-SNVBAGLBSA-N 286.400 3.829 0 40 CHAB CC1(C)c2ccccc2-c2nc3ccccc3c(N)c2[C@H]1O 1580669 VHOMWMZEFVOMIU-GOSISDBHSA-N 290.366 3.809 0 40 CHAB Nc1ccc(Cl)cc1-c1cccc(-c2cc[nH]n2)c1 20515207 STLDRKRATURVSM-UHFFFAOYSA-N 269.735 3.979 0 40 CHAB CCOc1ccc(-c2csc(N[C@@H](C)COC)n2)cc1 6671136 FEGMVVRIBCKRMC-NSHDSACASA-N 292.404 3.656 0 40 CHAB CCOc1c(CNC2CCCCC2)cccc1OC 8253458 QIFNWFRLIZKSDJ-UHFFFAOYSA-N 263.381 3.516 0 40 CHAB Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 21957866 MDAIYWARQVPUHU-UHFFFAOYSA-N 298.239 3.679 0 40 CHAB CC(C)(CO)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@H]21 518121 UUJKDBXPGVPHKQ-OXGONZEZSA-N 264.409 3.545 0 40 CHAB biogenic Clc1ccc(OCCC2CCNCC2)c(Cl)c1 42772295 RTGQTUZUCJGJIX-UHFFFAOYSA-N 274.191 3.762 0 40 CHAB NC1(c2ccc(Br)cc2)CCCCCC1 34963521 OMANSQZBXBXAIW-UHFFFAOYSA-N 268.198 3.957 0 40 CHAB CSCc1ccc(C(=O)Nc2ccc(F)cc2)o1 10030172 SSDUZZXLCYXQKC-UHFFFAOYSA-N 265.309 3.534 0 40 CHAB COc1cc(F)ccc1NCc1cc(F)ccc1F 48330113 OJINPDYFMPVTSX-UHFFFAOYSA-N 267.250 3.725 0 40 CHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(F)c1)C2 13004741 QTKZJIFUXIXMGG-HNNXBMFYSA-N 287.359 3.790 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2c(F)cccc2Cl)C1 13331808 OZLWDXMRNXZBLM-UWVGGRQHSA-N 269.747 3.597 0 40 CHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1c1cccs1 49376030 DIFYOUUJGQEUKL-YNEHKIRRSA-N 287.384 3.808 0 40 CHAB Cc1cc(C)cc(NC(=O)C2=Cc3ccccc3OC2)c1 5034278 VBEHKFGPIGCXFX-UHFFFAOYSA-N 279.339 3.718 0 40 CHAB biogenic,in-vitro O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccco1 9053755 QKNHOQMPNNQYDH-AWEZNQCLSA-N 275.735 3.814 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc(Br)c1 7914272 GTTSXDFPLFIRDY-JTQLQIEISA-N 280.165 3.744 0 40 CHAB Cc1nc(-c2cccc(-c3csc(C)n3)n2)cs1 96026307 ADNQHWQISMEMLH-UHFFFAOYSA-N 273.386 3.945 0 40 CHAB C[C@H](Nc1ccccc1)c1nnc(-c2ccccc2)o1 9603019 LQVZECUPLRVIJA-LBPRGKRZSA-N 265.316 3.910 0 40 CHAB COC(=O)C[C@H](C)SCc1csc(-c2ccco2)n1 78816082 PNBCUPJBWXEATE-VIFPVBQESA-N 297.401 3.588 0 40 CHAB CC[C@H](C)NC(=O)c1ccc(C2SCCS2)cc1 9500053 MEMIBZKTKARWTA-JTQLQIEISA-N 281.446 3.694 0 40 CHAB C[C@H](Nc1ncnc2ccsc12)c1cccs1 9864778 HVVBKGSAFGKYRP-QMMMGPOBSA-N 261.375 3.926 0 40 CHAB CC[C@H]1CN(C)c2ccccc2CN1Cc1c(C)noc1C 79073989 KGKSYBMVFVJRBR-INIZCTEOSA-N 299.418 3.522 0 40 CHAB CC(C)n1ccc(C[S@](=O)[C@@H](C)c2cccs2)n1 95418334 YKGFTMGAHKXHRS-BBATYDOGSA-N 282.434 3.535 0 40 CHAB CC[C@H](C)n1nccc1NC(=O)c1ccc(Cl)cc1 21785356 JDJMEZFUVXAPQF-JTQLQIEISA-N 277.755 3.760 0 40 CHAB C[C@@H](NC(=O)n1ccnc1)c1ccc(Cl)cc1Cl 32628644 HCBOUTZXSXZOAS-MRVPVSSYSA-N 284.146 3.509 0 40 CHAB O=C1CCCC[C@@H]1Cc1ccccc1Br 38815717 CTRWALBMGBDSRI-LLVKDONJSA-N 267.166 3.751 0 40 CHAB Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1 37324291 HWQRNZGCIDGVFW-UHFFFAOYSA-N 268.234 3.990 0 40 CHAB CN(C(=O)COc1cccc2ccccc12)C1CCCC1 30854355 QNXTYTBSVFPLCR-UHFFFAOYSA-N 283.371 3.620 0 40 CHAB c1cnc(NC2CCCCC2)c([C@H]2CCCCN2)c1 72214031 LOFUKWMDHHUUGW-OAHLLOKOSA-N 259.397 3.641 0 40 CHAB CCCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1 225642559 WDKJLDRAZXYMIJ-QGZVFWFLSA-N 291.391 3.619 0 40 CHAB CN(C)C(=O)Cc1ccc(-c2nc3ccccc3s2)cc1 41127096 FVTHJSDNGXXJKK-UHFFFAOYSA-N 296.395 3.594 0 40 CHAB O=C(c1ccccc1Cl)N1CCC[C@@H]1c1ccc[nH]1 48687241 DEEDDHNGHGKHLO-CQSZACIVSA-N 274.751 3.645 0 40 CHAB COc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1 222746093 IUJHBDPUXPMTRK-UHFFFAOYSA-N 291.350 3.778 0 40 CHAB CCN(C(=O)c1cscn1)c1ccc(Cl)cc1F 225657106 DIJVKVWCNUBWBF-UHFFFAOYSA-N 284.743 3.602 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)C1CCCC1 44883186 FPELJWPDBYVTDN-KRWDZBQOSA-N 289.419 3.862 0 40 CHAB CCCOc1ccc(C(=O)NCC2CCCCC2)cc1 224272403 MDAPRUGZGKPLRZ-UHFFFAOYSA-N 275.392 3.786 0 40 CHAB O=C(CCc1ccncc1)N1CCCCC[C@H]1c1ccco1 96413203 WUVHNVHRLRCOHH-INIZCTEOSA-N 298.386 3.751 0 40 CHAB COc1ccc([C@H]2COc3cc(C)ccc3N2)cc1 96531324 FKZVBLJFZDNZOI-OAHLLOKOSA-N 255.317 3.549 0 40 CHAB Cc1nc(Cl)cc(C(=O)Nc2ccc(C(C)C)cc2)n1 96182656 XYFXBZGZMYMMMK-UHFFFAOYSA-N 289.766 3.814 0 40 CHAB O=C(NC1CC1)c1ccc(Oc2ccccc2Cl)o1 96183852 IOGUDUGGLFKXOZ-UHFFFAOYSA-N 277.707 3.618 0 40 CHAB CN(C)Cc1ccc2ccccc2c1Br 1662343 PEDWKJDEKRRSCX-UHFFFAOYSA-N 264.166 3.664 0 40 CHAB CC[C@H](C)Oc1cccc(N[C@@H](C)c2cnccn2)c1 70479609 LVFJGCRYNIVULP-STQMWFEESA-N 271.364 3.827 0 40 CHAB CC(C)Nc1oc(-c2ccc(Cl)cc2)nc1C#N 5644002 XCNVBVTYFJROAI-UHFFFAOYSA-N 261.712 3.687 0 40 CHAB Cc1n[nH]c(SCCC23CC4CC(CC(C4)C2)C3)n1 22988899 JZGKZHJLYKSWLX-UHFFFAOYSA-N 277.437 3.812 0 40 CHAB CCOc1cc(CNC(C)C)ccc1OC1CCCC1 34815865 COANQMNUNLZKOU-UHFFFAOYSA-N 277.408 3.905 0 40 CHAB CCCC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 3378442 USHWDCWZJWPMEZ-UHFFFAOYSA-N 290.388 3.866 0 40 CHAB CCSc1ncnc2c1cnn2-c1ccc(Cl)cc1 4341629 DOLVWBSIHRPHFY-UHFFFAOYSA-N 290.779 3.581 0 40 CHAB O=C1N[C@@H](c2cccs2)Nc2sc3c(c21)CCCC3 565718 NMFGNYAOXZIRFE-GFCCVEGCSA-N 290.413 3.543 0 40 CHAB aggregator O=C(O)C1(c2ccc(Cl)cc2Cl)CCCC1 20429447 CJVNUENSNUSROF-UHFFFAOYSA-N 259.132 3.890 0 40 CHAB CCC(=O)Nc1cccc(-c2nc3cc(OC)ccc3o2)c1 558604 JTZGCXAQGAYQDB-UHFFFAOYSA-N 296.326 3.852 0 40 CHAB CC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 1249919 KHTKXJOBMFMBOM-FUHWJXTLSA-N 278.355 3.966 0 40 CHAB CCCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 1664842 WPONIRRKFDYIEL-ROUUACIJSA-N 269.388 3.851 0 40 CHAB N=C(N)SCc1ccc(Cl)c2ccccc12 1668498 UCXFOQVFJUXSPE-UHFFFAOYSA-N 250.754 3.620 0 40 CHAB in-vitro CN(C)C(=S)SCc1cc(Cl)cc(Cl)c1O 1669428 ZFZRFJMPFIVMRE-UHFFFAOYSA-N 296.244 3.779 0 40 CHAB CCOC(=O)c1cccc(NC(=O)c2ccc(CC)cc2)c1 8383064 DOWXIOFEJUUJDF-UHFFFAOYSA-N 297.354 3.678 0 40 CHAB O=C(O)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1 40713110 IIQVRLHKZZEAMS-UHFFFAOYSA-N 274.169 3.803 0 40 CHAB CCc1ccc(NC(=S)NC2CCCCC2)cc1 7529076 GFWGNQGRBNTMRX-UHFFFAOYSA-N 262.422 3.868 0 40 CHAB CCCNc1c(C)c(C)nc2c(-c3ccccc3)cnn12 7636229 SAQZKSGOGUNBMG-UHFFFAOYSA-N 280.375 3.835 0 40 CHAB O=C(Nc1scnc1-c1ccccc1)C1[C@H]2CCC[C@H]12 102022114 LQGLETKXZIQMLQ-RYUDHWBXSA-N 284.384 3.795 0 40 CHAB CCNCc1ccc(OCc2ccccc2C)c(OC)c1 8227250 IJLIRVQBPFQJTP-UHFFFAOYSA-N 285.387 3.692 0 40 CHAB Cc1cc2sc(NC(=O)C(C)C)nc2cc1Cl 569495 OPWVIQJVWKSIKT-UHFFFAOYSA-N 268.769 3.853 0 40 CHAB Cc1cc(C(=O)N(C)Cc2ccc(C)o2)c2ccccc2n1 22367193 XSLQYXYMQKVISC-UHFFFAOYSA-N 294.354 3.717 0 40 CHAB C[C@@H](NC(=O)c1cccc2cccnc12)c1ccccc1 22389347 ONCDGNHWVSBALG-CYBMUJFWSA-N 276.339 3.726 0 40 CHAB COCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 22845382 AOXODXZUVRNQKN-UHFFFAOYSA-N 291.734 3.717 0 40 CHAB O=C1OC(c2ccccc2F)=N/C1=C\C=C\c1ccccc1 12436839 WCPZDGRIPZJFTL-FLIHGVEMSA-N 293.297 3.726 0 40 CHAB CCCCC(=O)Nc1ncc(-c2ccccc2)s1 47542961 TYOGPHDOHDBPGJ-UHFFFAOYSA-N 260.362 3.939 0 40 CHAB C[C@@H](NC(=O)Nc1ccncc1)c1ccccc1Cl 43182323 KLDFGYODLURRKJ-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB Cc1ccc([C@@H](C)N(C)Cc2nnsc2Cl)cc1 47960266 NSGUAQLVKMZPSV-SNVBAGLBSA-N 281.812 3.693 0 40 CHAB CN(CCc1ccc(F)cc1)C(=O)CCCc1ccccc1 55369010 STHIGAHYEPZZFK-UHFFFAOYSA-N 299.389 3.850 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 3449458 ZWGVTNWJDQHVGT-LBPRGKRZSA-N 257.308 3.625 0 40 CHAB Cc1cccc(Cn2cc(SC(=N)N)c3ccccc32)c1 3866084 PERJRHYDDWQNOK-UHFFFAOYSA-N 295.411 3.984 0 40 CHAB Cc1[nH]n(-c2ccccc2)c(=O)c1-c1ccc(Cl)cc1 8580425 XOGIDJWLCNSFFI-UHFFFAOYSA-N 284.746 3.794 0 40 CHAB CCCOc1ccc(C(=O)NC2CCC(C)CC2)cc1 6138802 SYVVMLAWFUTBEC-UHFFFAOYSA-N 275.392 3.784 0 40 CHAB Fc1cccc(COc2ccc(-c3nnco3)cc2)c1F 65594905 LLBBIUNKGOUXBH-UHFFFAOYSA-N 288.253 3.594 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1 7039802 RGXYMTQMGSWFCN-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB CC[C@H]1CCCCN1c1nc2cc(C)nn2c2ccccc12 7813487 CBRGTEVVSMGETM-AWEZNQCLSA-N 294.402 3.960 0 40 CHAB CNc1nc(-c2ccc(NC(=O)C(C)C)cc2)c(C)s1 8209142 DZEQVFZCRCQDMI-UHFFFAOYSA-N 289.404 3.755 0 40 CHAB Cc1ccccc1CCNC(=O)c1cccc2cccnc12 19600230 IAIKPNOPHJEIEG-UHFFFAOYSA-N 290.366 3.516 0 40 CHAB Cc1ccc(CCNc2cc(C(=O)N(C)C)ccc2C)cc1 95454352 MRWKOPQZINQRAD-UHFFFAOYSA-N 296.414 3.660 0 40 CHAB C[C@@H]1CCCC[C@H]1OCCNc1ncnc2sccc12 95951814 ISVMZUMIGZMQRI-DGCLKSJQSA-N 291.420 3.699 0 40 CHAB CCc1ccc(NC(=O)c2c(C)cccc2F)cc1 79069004 RNOSQCFXRGDAMZ-UHFFFAOYSA-N 257.308 3.949 0 40 CHAB CC(C)CCC(=O)Nc1cccc(-c2ccc(CO)o2)c1 20136771 XUENKKOVTQVPAD-UHFFFAOYSA-N 287.359 3.814 0 40 CHAB Oc1cc(C(F)F)nc2c(Br)cccc12 61629445 KOQNZUHBBUOISM-UHFFFAOYSA-N 274.064 3.641 0 40 CHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)c2ccccc2O1 39372364 WZZFYCUQUWHVRR-LJQANCHMSA-N 289.334 3.835 0 40 CHAB O=[N+]([O-])/C=C\c1ccc(OCc2ccccc2F)cc1 33317266 CLMFHASRSQJEPD-KTKRTIGZSA-N 273.263 3.652 0 40 CHAB Cc1ccc([C@@H](C)N(C)C(=O)OC(C)(C)C)cc1N 218270541 SOJKCTBNYBHWLW-LLVKDONJSA-N 264.369 3.505 0 40 CHAB Cc1cc(F)ccc1NC(=O)Cc1cccc2cccnc12 32885600 UEQNHZVAUMELTQ-UHFFFAOYSA-N 294.329 3.864 0 40 CHAB CN1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 72212033 VHHASBILFTZSES-QGZVFWFLSA-N 282.387 3.817 0 40 CHAB CCc1ccc(CNC(=O)Nc2cccc(OC)c2)s1 45949935 JXKSUVFJZWAIJM-UHFFFAOYSA-N 290.388 3.641 0 40 CHAB CC(C)=CCOc1cc(=O)oc2cc3occc3cc12 44830209 RRQMUUKCVRICNZ-UHFFFAOYSA-N 270.284 3.884 0 40 CHAB COc1cccc(NC(=O)c2cc3cc(OC)ccc3o2)c1 41306573 MMKDRHAPVYRCBQ-UHFFFAOYSA-N 297.310 3.702 0 40 CHAB CCCOC(=O)c1cc(N)ccc1Nc1ccccc1F 225468243 JRMWLEJKBOXEIE-UHFFFAOYSA-N 288.322 3.718 0 40 CHAB CCCOc1cc(F)c(F)cc1Br 95915493 KCSWROZVMJFTPD-UHFFFAOYSA-N 251.070 3.516 0 40 CHAB CC(=O)CCSc1nc(C)cc(Nc2ccccc2)n1 5739952 CMIVMZLWLSVMLY-UHFFFAOYSA-N 287.388 3.600 0 40 CHAB COc1ccc(/C=C\C(=O)OCC2CCCCC2)cc1 17285874 IGFOYOFONXXYRC-XFXZXTDPSA-N 274.360 3.832 0 40 CHAB Cc1cc(C(=O)Nc2cccc3ccccc23)ccc1N 19279473 OZTWCOOXDTYIMQ-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB Cc1ccc(N)cc1NC(=O)c1ccccc1OC(C)C 19736136 YJVDZXDCQCTYNR-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB Cc1cccc(Cn2nc(-c3ccccc3C)ccc2=O)c1 5409659 OLYKTBYYLCKOJK-UHFFFAOYSA-N 290.366 3.575 0 40 CHAB O=C(Cc1cccs1)c1ccccc1NC(=O)C1CC1 4753473 PJNJFLFFFWTBCI-UHFFFAOYSA-N 285.368 3.522 0 40 CHAB COc1ccc(NC(=O)N2CCCCCC2)cc1Cl 40098730 FLWMMJLDYOGLRD-UHFFFAOYSA-N 282.771 3.757 0 40 CHAB C[C@H](NC(=O)C1CCCC1)c1ccc(Cl)s1 40074651 CJMQWXFYXMZHNL-QMMMGPOBSA-N 257.786 3.769 0 40 CHAB CCOc1ccccc1CNC(=O)c1cccc(Cl)c1 20112564 CIVSLUJWCGUQOG-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB COc1ccccc1CCC(=O)c1ccccc1C 2516441 GFFSRVDDWCEWER-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB Cc1onc(-c2ccccc2)c1[C@@](C)(O)c1ccccc1 1557450 QNOHFTLRXDVUKD-SFHVURJKSA-N 279.339 3.906 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)CCc2c[nH]c3ccccc23)C1 32031345 WSZZAOSAGCQOJG-ZFWWWQNUSA-N 284.403 3.795 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)[C@@H]1C[C@H]2C=C[C@H]1C2 102226370 ZIVWOLKXHXVHDY-VIRABCJISA-N 285.412 3.552 0 40 CHAB Cc1ccc(C)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 32828124 NQXRGPXPSZJNBO-UHFFFAOYSA-N 291.354 3.946 0 40 CHAB Cc1cc(C(=O)N2CCC(C)CC2)c2cc(F)ccc2n1 543473 AWEWCXXUHMNLHN-UHFFFAOYSA-N 286.350 3.554 0 40 CHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccco1 20139694 IEMGJSUGLFTBEQ-UHFFFAOYSA-N 297.310 3.593 0 40 CHAB O=C(O)C/C(=C/c1ccccc1F)c1nc2ccccc2o1 22069603 GWOKKKBIPDIAMI-XFXZXTDPSA-N 297.285 3.982 0 40 CHAB COc1ccccc1C(=O)c1ccccc1SC 43209726 VCCSYWOOWUVEDJ-UHFFFAOYSA-N 258.342 3.648 0 40 CHAB Cc1ccc(CC(=O)Nc2cnc3ccccc3c2)cc1 12645336 XCVMZRAZPGJJSQ-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB Cc1cccnc1C(=O)c1ccc(C(C)(C)C)cc1 45028677 AQTQIOFBEORCDD-UHFFFAOYSA-N 253.345 3.919 0 40 CHAB Cc1csc(S[C@H](C)C(=O)Nc2ccccc2)n1 3413756 UKQBWAAAPKLARN-SNVBAGLBSA-N 278.402 3.571 0 40 CHAB Cc1ccc(-c2csc3nc(S)[nH]c(=O)c23)cc1C 3888416 FUUWQFCIJLCWRJ-UHFFFAOYSA-N 288.397 3.557 0 40 CHAB O=C(Nc1ccccc1F)c1cnc(Cl)c(Cl)c1 14198738 HXIAJWFRDMMDBG-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB Cc1ccccc1C(=O)OCc1nc2ccccc2s1 6868358 KQIOHZIBPZRZBU-UHFFFAOYSA-N 283.352 3.962 0 40 CHAB FC(F)C(F)(F)COc1ccccc1Br 20518692 JZPCHTXIEXOIKR-UHFFFAOYSA-N 287.050 3.728 0 40 CHAB CCC(=O)N1N=C(c2ccccc2C)C[C@H]1c1ccco1 89941551 KSKQGJMUMKGDHY-HNNXBMFYSA-N 282.343 3.676 0 40 CHAB CSc1ccc(NC(=O)C(C)(C)CC(C)C)cn1 75108541 ZKGQYAJVYVPFSL-UHFFFAOYSA-N 266.410 3.814 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@]21CCN1 306145939 WRYQNGHIXJEBSC-KRWDZBQOSA-N 288.391 3.559 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1cccc2cnccc12 21217246 ZPNCGUNZGXDMNZ-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@H]2O 2039579 RYWZPRVUQHMJFF-BZSNNMDCSA-N 268.356 3.736 0 40 CHAB biogenic,in-vitro COc1ccc(C(=O)Cc2ccccc2)c(Cl)c1 35325292 IMZNLUCBTKQPQR-UHFFFAOYSA-N 260.720 3.774 0 40 CHAB C[C@H]1CC[C@](C)(C(=O)COC(=O)c2ccccc2)C1(C)C 3846099 DEVYPJFFYKGEEF-SCLBCKFNSA-N 288.387 3.875 0 40 CHAB biogenic NC(=S)c1cccc(-c2nc3ccccc3s2)c1 73634034 GDWONAGIKFEDCL-UHFFFAOYSA-N 270.382 3.598 0 40 CHAB CC(C)NC[C@@]1(C)C[C@H](NC(C)C)CC(C)(C)C1 39245129 IFJYEFKWFQAKDZ-ZBFHGGJFSA-N 254.462 3.567 0 40 CHAB CSc1cccc(N2Cc3ccccc3O[C@@H](C)C2=O)c1 75165492 IDGJBHMCHWJKCF-LBPRGKRZSA-N 299.395 3.723 0 40 CHAB CCSc1ncccc1[C@@H]1CCCN1C(C)C 72217180 QYFNRYJOGHHVLV-ZDUSSCGKSA-N 250.411 3.739 0 40 CHAB CC(C)c1ccc(C[C@@H](Oc2ccccc2)C(=O)O)cc1 225044839 ZEIDZQHIDWVMIO-QGZVFWFLSA-N 284.355 3.885 0 40 CHAB O=C(OC1CCCCC1)c1snnc1-c1ccccc1 223831805 LMEGQAFCVZUFCS-UHFFFAOYSA-N 288.372 3.695 0 40 CHAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2)c1 13670740 JSJKDMYANMNHGX-AWEZNQCLSA-N 253.345 3.794 0 40 CHAB Cc1cccc(Nc2ccc(C(=O)OC(C)C)cc2N)c1 225416983 HSHWBEVBTTYRNQ-UHFFFAOYSA-N 284.359 3.886 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1ccsc1 40534473 OHFYDCYMVGBKJI-GXTWGEPZSA-N 261.390 3.768 0 40 CHAB Cc1ccc2nc(-c3cc(N)cc(C)c3O)sc2c1 45923388 INKJRZCEFCTBSI-UHFFFAOYSA-N 270.357 3.868 0 40 CHAB COc1cc(C)c([C@H](C)NC(=O)C2CC2)cc1C(C)C 223386782 HUUKOEPDBGGDEX-LBPRGKRZSA-N 275.392 3.714 0 40 CHAB CCCN(c1ccc(C)c(Cl)c1)[C@@H](CC)C(=O)O 224993349 FRLCQGSKZULESY-ZDUSSCGKSA-N 269.772 3.728 0 40 CHAB FC(F)(F)c1ccc(OCCC2OCCO2)c(Cl)c1 95733764 JJBWHVRFQYOJMP-UHFFFAOYSA-N 296.672 3.501 0 40 CHAB CO[C@H](C)c1nc(-c2ccc(NC(C)=O)cc2F)cs1 96455540 ZHMATYWEIDWCHQ-MRVPVSSYSA-N 294.351 3.615 0 40 CHAB Cc1ccc(C)c2nc(O)c(CNCc3cccs3)cc12 257343509 ZTHKGPDQUBRVJU-UHFFFAOYSA-N 298.411 3.909 0 40 CHAB CCS[C@H](C)C[C@H]1CC(=O)c2nc(CC)oc2C1 5508724 WHFXMHVIMZTIOR-ZJUUUORDSA-N 267.394 3.514 0 40 CHAB N=c1oc2c(O)cccc2cc1-c1nc2ccccc2s1 5605092 WQJCBWORJUBXBM-UHFFFAOYSA-N 294.335 3.895 0 40 CHAB COc1ccc(C(=O)[C@H](C)Oc2c(C)cccc2C)cc1 13896998 FGRPLSQBZPPPGJ-AWEZNQCLSA-N 284.355 3.962 0 40 CHAB CC[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(C)cc1 14602608 DDDPVEAAYQLNII-QGZVFWFLSA-N 285.362 3.944 0 40 CHAB Cc1cn2nc(NC3CCCCCCC3)sc2n1 26691145 YNTJROZRKXATAL-UHFFFAOYSA-N 264.398 3.624 0 40 CHAB c1ccc(CN2CCCC[C@H]2c2ncn3ccsc23)nc1 2037666390 CNGYJOWCVHHVOT-AWEZNQCLSA-N 298.415 3.518 0 40 CHAB O=C(NCc1ccc(-c2ccsc2)o1)c1ccsc1 575610995 RZZFDHLHDNBQCP-UHFFFAOYSA-N 289.381 4.000 0 40 CHAB O=C(O)c1cccc(Nc2ccc(-c3ncccn3)cc2)c1 1857795128 NVWTWTKUBNQKMZ-UHFFFAOYSA-N 291.310 3.585 0 40 CHAB O=C(c1cccc(Cl)c1)c1ccccc1CN1CCC1 2515611 OBRLYPKEGPICOB-UHFFFAOYSA-N 285.774 3.777 0 40 CHAB COc1ccc(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 1711303 APKUABFBZYGPPH-JKSUJKDBSA-N 288.387 3.977 0 40 CHAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(F)cc1 1930551 MPKZYTJXPPJUMY-UXBLZVDNSA-N 285.318 3.795 0 40 CHAB COc1ccc2c(c1)CS[C@@H](c1ccccc1)C2=O 2035092 QHNGVLZCZBQBJQ-INIZCTEOSA-N 270.353 3.866 0 40 CHAB COc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)c(C)c1 51355842 XKFXMVZPWXAOFM-UHFFFAOYSA-N 299.374 3.714 0 40 CHAB CCC(=O)Nc1nc2c(Cl)ccc(Cl)c2s1 2713939 FZPPEQUCWWZHRP-UHFFFAOYSA-N 275.160 3.952 0 40 CHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1ccc2ccccc2c1O 268998 PEAHXHATDQRGOQ-KBPBESRZSA-N 298.338 3.619 0 40 CHAB C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCC(N2CCCCCC2)CC1 4703441 PXTVFPROXZRZNC-SQNIBIBYSA-N 288.479 3.539 0 40 CHAB CSc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1 32774185 RLTAOIRURRNJCA-UHFFFAOYSA-N 291.397 3.925 0 40 CHAB O=C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1 2650785 QXKHQPFTDGQEON-UHFFFAOYSA-N 265.234 3.958 0 40 CHAB CCOc1ccc2ccccc2c1C(=O)N[C@@H](C)CC 8382839 UTNJYMKQBXDQBH-LBPRGKRZSA-N 271.360 3.767 0 40 CHAB COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1C 8417167 IEEPOSRROIZASR-UHFFFAOYSA-N 295.338 3.544 0 40 CHAB COc1cc(/C=C/C(=O)O)ccc1OCc1cccc(C)c1 11960773 AUTMVTHGSQRRAC-VQHVLOKHSA-N 298.338 3.680 0 40 CHAB CCCCNC(=O)c1ccc(-n2cnc3ccccc32)cc1 21874536 VNQZUKKBOKMHAP-UHFFFAOYSA-N 293.370 3.555 0 40 CHAB COc1ccc(CC(=O)Nc2c(C)cc(C)cc2C)cc1 585148 GXPINYPTJRKIJW-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB C[C@H]1C(O)[C@H](C)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 101140101 GGCLDJYYOISOSI-FPVYWFORSA-N 281.399 3.705 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102229732 XBXVJWLMSVDMJL-JWMLFOSKSA-N 269.388 3.641 0 40 CHAB CC(=O)c1sc(Cc2ccc(Cl)cc2)nc1C 12394940 FTLXSLSEWRHVQS-UHFFFAOYSA-N 265.765 3.898 0 40 CHAB CCOc1ccc([C@H](C)NCc2ccc(C)o2)cc1 35052912 UTOLLFYAGIDFES-ZDUSSCGKSA-N 259.349 3.838 0 40 CHAB Nc1onc(-c2ccccc2F)c1Cc1ccccc1 26512489 WNFKIHPXFSVCPL-UHFFFAOYSA-N 268.291 3.654 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cccnc1 12537825 BTSVGUPFVKGHCA-NFAHFFEMSA-N 298.411 3.692 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1C 28210576 VBROLUXLMCUFLM-UHFFFAOYSA-N 279.261 3.973 0 40 CHAB Cc1noc(C)c1COC(=O)/C=C/c1ccc(Cl)cc1 3294292 KMBSESXUBHGHQO-VMPITWQZSA-N 291.734 3.701 0 40 CHAB O=C1Cc2cc(-c3csc(C4CC4)n3)cc3c2N1CCC3 28335079 JUPODKXSWNCPEE-UHFFFAOYSA-N 296.395 3.523 0 40 CHAB c1ccc(OCCCOc2cccc(-c3nnco3)c2)cc1 69491087 OYIYKFGESCLDBU-UHFFFAOYSA-N 296.326 3.585 0 40 CHAB C[C@H]1CCCN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 4185404 UIMQZAVFCDNWAF-JBLDHEPKSA-N 290.234 3.836 0 40 CHAB CCc1nnc2c(Nc3ccccc3)nc3ccccc3n12 4414185 VOTISKIOSLPADK-UHFFFAOYSA-N 289.342 3.584 0 40 CHAB Cc1nnc([C@@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)o1 69774838 BJCNFLWICQBNJU-MEBBXXQBSA-N 289.354 3.709 0 40 CHAB CSc1ncccc1C(=O)Nc1c(C)cc(C)cc1C 14426554 NNACQLJZNNJOJD-UHFFFAOYSA-N 286.400 3.981 0 40 CHAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(CO)cc1 6939016 VVNGTLQMXLSXRD-ZDUSSCGKSA-N 283.371 3.945 0 40 CHAB Cc1nc2cc(NC(=O)c3ccc(F)cc3F)ccc2o1 7036589 DQBHHZGSPINXAR-UHFFFAOYSA-N 288.253 3.667 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2cccc(C)c2C)s1 7070173 JRUPAQCLXKUENR-UHFFFAOYSA-N 273.357 3.820 0 40 CHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 16121826 YOYLWVDGNKJMRI-IUCAKERBSA-N 298.169 3.673 0 40 CHAB Cc1ccc([C@@H](CN[C@H]2CCCC2(C)C)N2CCCC2)o1 97016750 BZCOWCNZDBKBIR-WBVHZDCISA-N 290.451 3.893 0 40 CHAB CCc1ocnc1C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 95468459 NEGSKHZIHVKLPD-AUECHBEKSA-N 296.370 3.555 0 40 CHAB COc1ccc2sc(C(=O)NOCC(C)C)c(C)c2c1 89568202 BFHJWYYTPFFAGP-UHFFFAOYSA-N 293.388 3.536 0 40 CHAB N[C@H](c1ccccc1)c1ccc(Nc2ccccc2)nc1 72225311 OVHTVYYKRMZLTA-GOSISDBHSA-N 275.355 3.873 0 40 CHAB Cc1ccc(OCC(=O)N2CCSc3ccccc32)cc1 60383272 QAQZBJFVUAWLIZ-UHFFFAOYSA-N 299.395 3.513 0 40 CHAB O=C(c1ccc(Br)cc1)c1ccccc1F 36941806 BNJKHOYHQYYFGU-UHFFFAOYSA-N 279.108 3.819 0 40 CHAB CCCCN1CCCC[C@H]1c1cccnc1OCC 72211864 JIZSCYOCYBZTCG-HNNXBMFYSA-N 262.397 3.807 0 40 CHAB CC(C)c1noc([C@@H](C)N(C)CC2CCCCC2)n1 32769959 BETGPFDSCPKITB-GFCCVEGCSA-N 265.401 3.766 0 40 CHAB CCN1CCC[C@@H]1c1ccc(N2CCCCC2)nc1C 72219271 BHIYMWBYGQCWBN-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB CC[C@@H](C)[C@H](NC(=O)c1ccco1)c1nc2ccccc2[nH]1 47173890 SHPREZPCIRDNRU-ABAIWWIYSA-N 297.358 3.673 0 40 CHAB CCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1 225630076 AAVXIJAPTACQJJ-UHFFFAOYSA-N 291.391 3.763 0 40 CHAB CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 225596123 KUUVWFPHPXLDOS-UHFFFAOYSA-N 261.365 3.994 0 40 CHAB CCc1cnc(Cl)c(Br)c1Cl 225739959 DAZFDJWKJJAEDF-UHFFFAOYSA-N 254.942 3.713 0 40 CHAB CCOc1ccccc1C(=O)c1cc(C)cc(F)c1 89064279 IBARRFDTYDVWJP-UHFFFAOYSA-N 258.292 3.764 0 40 CHAB Nc1cc2cccc(C(F)(F)F)c2nc1OCC1CC1 685938207 GGKOTRPDAIXRIZ-UHFFFAOYSA-N 282.265 3.625 0 40 CHAB Cc1cc([C@@H]2CCCN2Cc2cccc(F)c2F)on1 52007444 YDICJOGHABYNFL-ZDUSSCGKSA-N 278.302 3.598 0 40 CHAB C=Cc1ccccc1N[C@H](C(=O)O)c1ccccc1 5498662 SXZFCGHEKOLHMD-HNNXBMFYSA-N 253.301 3.567 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](N)CC[C@]34C)[C@@H]1CC[C@@H]2O 13424195 WMEBIWWUBWHAOJ-VXZRPZIYSA-N 291.479 3.717 0 40 CHAB N=C1NC(=O)/C(=C\c2ccc(Oc3ccccc3)cc2)S1 5604119 XQQJUMHWNSXXKJ-GXDHUFHOSA-N 296.351 3.618 0 40 CHAB O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1cccs1 21790729 IDHHILUDPJOWMC-LBPRGKRZSA-N 288.372 3.591 0 40 CHAB Cc1ccc(N2C(=O)[C@H]3CC[C@](C)(C2=O)C3(C)C)cc1C 100053796 VWYJCKFOLRKAAP-RDTXWAMCSA-N 285.387 3.619 0 40 CHAB CCCCCOc1ccc(C(=O)Nc2cc(C)on2)cc1 3893585 FGLPGAZBKAINHU-UHFFFAOYSA-N 288.347 3.804 0 40 CHAB O=C(c1ccc(Cl)o1)N1CCC[C@H]1c1ccsc1 40107732 WCSXHTPUENQJPR-JTQLQIEISA-N 281.764 3.972 0 40 CHAB Cc1cc(C)n(-c2cccc(NC(=O)c3ccsc3)c2)n1 40134063 BNLXWTGSJZVJKE-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccc(O)cc1)C2 100751347 WZBMPPVYPMMRNT-JDFRZJQESA-N 274.360 3.764 0 40 CHAB biogenic Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 38420 OETPQPCPYXRFKP-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H](C)C(C)C 59036821 CQJZXRMIMKNRJK-TZMCWYRMSA-N 292.423 3.945 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1 124523 ZZGJRLAHDBJANK-UHFFFAOYSA-N 291.700 3.755 0 40 CHAB Cc1ccc(-c2noc(-c3cccc(F)c3F)n2)cc1 36614284 QLBIFOHUSNLWOO-UHFFFAOYSA-N 272.254 3.990 0 40 CHAB CCCCn1nc(NC(C)=O)c2cc3cccc(C)c3nc21 2595778 QYNIQIMMADWJDS-UHFFFAOYSA-N 296.374 3.651 0 40 CHAB CCOC(=O)c1sc(Nc2cc(C)cc(C)c2)nc1C 6367332 PUOMYKXBFASYQO-UHFFFAOYSA-N 290.388 3.989 0 40 CHAB O=C1O/C(=C\Oc2ccc(Cl)cc2)c2ccccc21 6829743 OWQAGXZHFLAPIA-ZROIWOOFSA-N 272.687 3.888 0 40 CHAB CCn1cc(/C=C2/SC(=S)N=C2O)c2ccccc21 6948163 JWCBKGVJEGDSBL-KPKJPENVSA-N 288.397 3.990 0 40 CHAB Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1F 32488394 CQSHUPRQWSBDEZ-UHFFFAOYSA-N 268.291 3.868 0 40 CHAB CCCCNC(=O)c1ccccc1C(=O)c1ccc(C)cc1 32905339 NLWLZRGCHFWHKM-UHFFFAOYSA-N 295.382 3.756 0 40 CHAB Cc1nc2ccc(NC(=O)C[C@H]3C=CCC3)cc2s1 8185781 OQNKBXJITFAJIX-NSHDSACASA-N 272.373 3.900 0 40 CHAB Nc1ccc(Oc2ccnc3ccccc23)c(F)c1 41721251 GSGDTXRXYPIJQS-UHFFFAOYSA-N 254.264 3.748 0 40 CHAB in-vitro CCN(C(=O)c1ncoc1-c1ccco1)c1ccccc1C 71907498 UFQGYIPOAZTEBZ-UHFFFAOYSA-N 296.326 3.910 0 40 CHAB Cc1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42772190 MKWOLIADSDFBHH-GFCCVEGCSA-N 298.224 3.526 0 40 CHAB Fc1ccc([C@H]2C=C(c3cccs3)Nc3ncnn32)cc1 100835038 HOXWROUCOPRQDO-CYBMUJFWSA-N 298.346 3.535 0 40 CHAB Cc1ccc(NCC(=O)Nc2c(C)cccc2C)cc1 12528379 LIKOTHRWWQCJON-UHFFFAOYSA-N 268.360 3.662 0 40 CHAB C[C@H]1CCN(C(=O)c2ccoc2)c2ccccc2S1 22258099 XGTGBBFFZPSIJZ-NSHDSACASA-N 273.357 3.811 0 40 CHAB CCCC(=O)NCCc1csc(-c2ccc(C)cc2)n1 28288397 CFNIZBABYXIMPB-UHFFFAOYSA-N 288.416 3.577 0 40 CHAB CC(C)[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 108112414 GVDOJAIWRYDSMD-KYJSFNMBSA-N 272.436 3.599 0 40 CHAB CCC(=O)Nc1cccc(NCc2c(C)noc2C)c1C 26795459 VWTBQVYIYMLHRP-UHFFFAOYSA-N 287.363 3.560 0 40 CHAB CCCC[C@@H](NC(C)=O)c1nc2ccccc2n1CCC 1927000 OMHVHODOCYNCCQ-OAHLLOKOSA-N 287.407 3.814 0 40 CHAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(C)cc2)cc1 10366955 RGHIXYJUNUTHDI-UHFFFAOYSA-N 296.370 3.525 0 40 CHAB Cc1ccc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 3233884 CNMARLPEDMIHIJ-KBPBESRZSA-N 277.433 3.877 0 40 CHAB Cc1ccc(C)c(Sc2ncccc2C(=O)O)c1 3330553 AEAZUZWTSYGEJY-UHFFFAOYSA-N 259.330 3.548 0 40 CHAB Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)cc1 3333586 IBAKFBQLUUVAOS-PWSUYJOCSA-N 272.373 3.713 0 40 CHAB Cc1nc2ccc(NC(=O)Cc3ccsc3)cc2s1 3430728 BZPZOSJVDQKSOT-UHFFFAOYSA-N 288.397 3.847 0 40 CHAB CC(C)(NC(=O)c1ccc(F)c(F)c1)c1ccccc1 49303787 JCFZPRVWLGQMLQ-UHFFFAOYSA-N 275.298 3.630 0 40 CHAB CC(C)CC(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20136804 CJISPKCBOXBELG-UHFFFAOYSA-N 290.146 3.676 0 40 CHAB COc1ccccc1CSc1ccc(NC(C)=O)cc1 7028263 BROJZQRVEFVRAK-UHFFFAOYSA-N 287.384 3.946 0 40 CHAB O=C(Oc1ccccc1F)c1cc(-c2ccccc2)on1 15669785 GPBANSSLOAZDRO-UHFFFAOYSA-N 283.258 3.700 0 40 CHAB COc1cccc(CNc2ncnc3cccc(C)c23)c1 80762912 QUWMIZYBFVIKRO-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB Cc1ccsc1CN(C)C(=O)Cc1c[nH]c2ccccc12 7898137 FPSCNBAHYTYJJC-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB Cc1cc(C)c(NC(=O)CCc2ccco2)c(C)c1 9337624 HRRPOTTYKDIPSI-UHFFFAOYSA-N 257.333 3.776 0 40 CHAB Cc1ccc2nc([C@@H]3CCCN3C(=O)CCC(C)C)[nH]c2c1 72048854 FUIBYDOJPHHXJA-INIZCTEOSA-N 299.418 3.971 0 40 CHAB CC(C)(C)c1cccc(OS(=O)(=O)c2ccccc2)c1 21820945 WXBZERMOVPXZQG-UHFFFAOYSA-N 290.384 3.752 0 40 CHAB O=C(NCc1ccc(F)cc1)N[C@H](c1ccccc1)C1CC1 9878626 KLINLXRCGGTWRV-QGZVFWFLSA-N 298.361 3.776 0 40 CHAB Cc1oncc1NC(=O)Nc1ccc(Cl)c(Cl)c1 95467262 RBDOMGBQMCLJEW-UHFFFAOYSA-N 286.118 3.934 0 40 CHAB CC(C)Nc1c(Cl)cccc1NCc1cnn(C)c1 89117935 OWUXONVQEAJPIH-UHFFFAOYSA-N 278.787 3.506 0 40 CHAB COc1ccccc1/C=C/C(=O)NC(C(C)C)C(C)C 409028906 SYFZXTQCLBAEEY-ZHACJKMWSA-N 275.392 3.505 0 40 CHAB O=C(O)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 75934288 MAMGQKYBCOXNOO-UHFFFAOYSA-N 298.182 3.840 0 40 CHAB CCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 5807778 CBZIGGLPIYJLLU-QGZVFWFLSA-N 255.361 3.589 0 40 CHAB CC[C@H](N)c1ccc(N(C)c2ccccc2)nc1C 72224391 CNOPEWJPWKPGDQ-HNNXBMFYSA-N 255.365 3.568 0 40 CHAB Cc1csc(SCC(=O)c2ccccc2F)n1 35184894 QEISVSPDZFGMIN-UHFFFAOYSA-N 267.350 3.566 0 40 CHAB CCCN1CCC[C@@H]1c1cccnc1SCC 72217182 NRNJUOHPUWCFMS-CYBMUJFWSA-N 250.411 3.741 0 40 CHAB CN(C)C(=O)Cc1cccc(-c2nc3ccccc3s2)c1 41127647 HEAYBSMGWOASHP-UHFFFAOYSA-N 296.395 3.594 0 40 CHAB Cc1ccc(CN(C)C(=O)CCc2ccccc2)cc1 44904420 BHZAZTOQJVUCRP-UHFFFAOYSA-N 267.372 3.586 0 40 CHAB Cc1cc(Cl)ccc1C[C@H](Oc1ccccc1)C(=O)O 225072986 LQWMMDCJBFZBOF-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Cc1cccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)c1 225018444 PTFZNDLBTGJXCE-GOSISDBHSA-N 298.382 3.995 0 40 CHAB C[C@H](CC1CC1)Nc1ccc(Cl)c(C[S@@](C)=O)c1 195566335 VBZZPFDQXWKLCD-MLCYQJTMSA-N 285.840 3.819 0 40 CHAB Clc1ccccc1COCCOc1ccccc1 255189455 PYNAVPAQFPKNIY-UHFFFAOYSA-N 262.736 3.936 0 40 CHAB CC(=O)c1c(F)cccc1NC[C@H](C)c1nccs1 273327530 QOKCOKMWDXROGG-VIFPVBQESA-N 278.352 3.700 0 40 CHAB O=C(Nc1ccccc1SCC(F)(F)F)C1CC1 55453658 QHLGATQUACSXPL-UHFFFAOYSA-N 275.295 3.690 0 40 CHAB CCCOc1ccccc1CNc1cccc(C(=O)O)c1 76272707 LVAIXIZPAZPSCJ-UHFFFAOYSA-N 285.343 3.786 0 40 CHAB Cc1cc(NC[C@H]2CCO[C@@H](C)C2)c2ccccc2n1 95458015 ZFRBPGDWGDAJRV-KBPBESRZSA-N 270.376 3.770 0 40 CHAB Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c(C)o1 12931583 SUXMKMYFCMWORK-VXGBXAGGSA-N 289.297 3.747 0 40 CHAB c1ccc([C@@H]2CC3C[C@H](c4ccccc4)N2O3)cc1 13468161 NHBSPOPJKZNDFC-ALOPSCKCSA-N 251.329 3.879 0 40 CHAB O=C(C1CC1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206877224 PPJNOHDSTHAFDQ-AWEZNQCLSA-N 277.795 3.846 0 40 CHAB O=C(NCc1nc(C2CCCCC2)cs1)c1ccco1 390830645 MJDJYPDYEKREPX-UHFFFAOYSA-N 290.388 3.714 0 40 CHAB Cc1cc(F)ccc1NC(=O)COc1ccc(Cl)cc1 3559024 WHHBRBXSEFUGDY-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB CCCNCc1ccc(OC2CCCC2)c(OCC)c1 34815828 QCAQELALGCOWMZ-UHFFFAOYSA-N 277.408 3.906 0 40 CHAB CC[C@H](C)NC(=O)/C=C/c1c(Cl)cccc1Cl 146015 CSCRCRSRIZVFOR-FLOXNTQESA-N 272.175 3.921 0 40 CHAB C(=C/c1ccccc1)\CSc1nnc2n1CCCCC2 40159044 YYFFNDKSZICRLT-JXMROGBWSA-N 285.416 3.810 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@H](C)C1CC1 40490148 CXUIDKGSIWGFHP-LLVKDONJSA-N 284.359 3.521 0 40 CHAB Cc1cc(C)c2c(CN3CCCCCC3)cc(=O)oc2c1 20344953 YYMAJFGRBBOZPM-UHFFFAOYSA-N 285.387 3.786 0 40 CHAB O=C(N[C@@H]1CCCC[C@@H]1Cc1ccco1)c1cccs1 282575 XCMNSFWVOPYGHI-TZMCWYRMSA-N 289.400 3.872 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CNc1ccccc1)C2 2283128 VWXHTADNWYJLIR-SIIHOXLZSA-N 287.403 3.857 0 40 CHAB C[C@@H]1CCCCN1c1ccc(NC(=O)C(F)(F)F)cc1 57316816 FJXSLKYWALMWDD-SNVBAGLBSA-N 286.297 3.566 0 40 CHAB O=C(Nc1ccc(Cl)cn1)Nc1ccccc1F 480129 OXVBHSXGJAFVAU-UHFFFAOYSA-N 265.675 3.518 0 40 CHAB aggregator Cc1cc(NC(=O)Nc2cccc(OC(F)F)c2C)no1 71924616 MTCZARGFGVIWPM-UHFFFAOYSA-N 297.261 3.537 0 40 CHAB c1cc(CNc2ncnc3sc4c(c23)CCCC4)ccn1 21786811 YCDKSWSWWQJPGW-UHFFFAOYSA-N 296.399 3.577 0 40 CHAB Cc1ccc2[nH]c(SCc3nnsc3Cl)nc2c1 29996764 KOOFUJRZYYTIIF-UHFFFAOYSA-N 296.808 3.669 0 40 CHAB CCc1ccc(C(=S)NCCc2ccccc2)cc1 9188100 YBYTUZGRVAAJMV-UHFFFAOYSA-N 269.413 3.757 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)NC2CCCCC2)cc1 572053 LNNKWPONYAGVFO-CYBMUJFWSA-N 277.433 3.925 0 40 CHAB O=C(Nc1ccccc1OC(F)F)N1CCCCCC1 58208860 VTRUYJBARFDPOA-UHFFFAOYSA-N 284.306 3.696 0 40 CHAB Cc1ncc(CSc2ncnc3ccsc23)s1 58370407 YYUFDNYMXIXPFB-UHFFFAOYSA-N 279.415 3.749 0 40 CHAB C[C@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C 10449968 XRCOJZOQKGXWLI-OLZOCXBDSA-N 299.345 3.571 0 40 CHAB Cc1ccc(NC(=O)Cc2ccccc2F)cc1C 3482749 CMGWMARUIRDQOJ-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB COc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1 3547815 VKKNJETXYHZFMK-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB CC(=O)c1cccc(-c2cccc(C(F)(F)F)n2)c1 65458927 QTSRASSBLZGSFT-UHFFFAOYSA-N 265.234 3.970 0 40 CHAB CCCN1C(=O)C(C)=C(C)[C@@H]1c1cn(C)c2ccccc12 4749244 FSAZTSLTYABCJR-QGZVFWFLSA-N 282.387 3.808 0 40 CHAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1 5925476 LWPMCLHGUTZCTN-UHFFFAOYSA-N 289.400 3.919 0 40 CHAB Cc1ccc(C)c(NC(=O)[C@@H]2Cc3ccccc3S2)c1 8709307 MLCXMFROZMZXLB-INIZCTEOSA-N 283.396 3.959 0 40 CHAB O=C(Nc1ccc(N2CCCC2)cc1)c1cccs1 8706882 LAIXAZSACCFSJI-UHFFFAOYSA-N 272.373 3.601 0 40 CHAB COc1ccc(F)cc1CSCc1nnc(C2CC2)o1 71862834 JYWYPDUUSZPMDY-UHFFFAOYSA-N 294.351 3.528 0 40 CHAB CCCc1nccn1Cc1ccc(OC)cc1Cl 84759074 DFNZJEOBPWPHAT-UHFFFAOYSA-N 264.756 3.546 0 40 CHAB Cc1cc(C)c(C)c(SCc2nnnn2C2CC2)c1C 73987845 IIAKYIARBUNUGE-UHFFFAOYSA-N 288.420 3.534 0 40 CHAB O=C(O)/C=C/c1ccc2nc(-c3ccccc3)oc2c1 62720045 XVPLBXDMDDZVFU-VQHVLOKHSA-N 265.268 3.593 0 40 CHAB CCOc1ccc(C(=S)NCc2ccccc2C)cc1 408576898 YPSUIEBRIZPHHA-UHFFFAOYSA-N 285.412 3.859 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OCc1ccccc1 36393882 BGNJFFDMGYHCJT-HZPDHXFCSA-N 297.398 3.778 0 40 CHAB Fc1ccc(Cn2ccc(-c3ccccc3)n2)cc1 78639838 MRLCJPYYLXYQHL-UHFFFAOYSA-N 252.292 3.738 0 40 CHAB COC(=O)c1c(O)cccc1CCCCc1ccccc1 35973520 MYQCEZZXWYATMU-UHFFFAOYSA-N 284.355 3.744 0 40 CHAB CC(C)C[C@@H]1SCC(O)=Nc2c1cnn2C(C)C 79481773 VNGCDHWREZEFKO-NSHDSACASA-N 267.398 3.886 0 40 CHAB OC[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 70452970 QVAVWXHBHQQTOB-ZDUSSCGKSA-N 274.191 3.513 0 40 CHAB CCOc1ccc2nc(COc3ccc(C)cc3)[nH]c2c1 41146118 VJRILDIDNPWCJM-UHFFFAOYSA-N 282.343 3.849 0 40 CHAB COc1ccc(CCC(=O)Nc2cccc(C)c2)cc1C 224828027 RKYOOAGMVPODNU-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(C)cc1 44905164 DQNYWTKXSKGUKT-RDRICISKSA-N 295.382 3.894 0 40 CHAB Cc1cc(Br)cnc1N1CCCC[C@@H]1C 42783628 TUBTXQSYOBRPMJ-JTQLQIEISA-N 269.186 3.531 0 40 CHAB Cc1noc(-c2ccc(C)c(NC(=O)OC(C)(C)C)c2)n1 98211133 QLVSNLKTDXIDSE-UHFFFAOYSA-N 289.335 3.700 0 40 CHAB C[C@@H]1OCC[C@@H]1NC(=O)N(c1ccccc1)c1ccccc1 96007784 MVHGFORHZBXIJX-YOEHRIQHSA-N 296.370 3.712 0 40 CHAB NC1(c2ccc3c(Br)cccc3c2)CC1 258407214 FNNRVDXMXXLEDN-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB CC(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F 95631349 JXDPFFKCJDFUMS-UHFFFAOYSA-N 270.172 3.856 0 40 CHAB CSc1ccccc1NC(=O)NC1CCCCC1 43468385 XSWNNLTWZYPSMP-UHFFFAOYSA-N 264.394 3.863 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)Nc1c(F)cccc1F 562764 GQRNJESVWHAWLV-RMKNXTFCSA-N 277.245 3.756 0 40 CHAB COc1cccc(C(=O)Nc2ccccc2SC)c1 5443578 BWZSRLJDVVVIOM-UHFFFAOYSA-N 273.357 3.669 0 40 CHAB CCc1ccc(CNCCc2ccccc2F)cc1 19871753 XEMZJXNHZBBJLE-UHFFFAOYSA-N 257.352 3.720 0 40 CHAB O=C(Nc1ccc(O)cc1)c1ccccc1C(F)(F)F 20211213 SYPAWMRAWCFFFE-UHFFFAOYSA-N 281.233 3.663 0 40 CHAB Cc1ccsc1C(=O)Nc1ccc2c(c1)NCCC2 69052887 XGZXPFIXDZHMBJ-UHFFFAOYSA-N 272.373 3.667 0 40 CHAB O=Cc1c(C(F)(F)F)cc(Cl)c(F)c1Cl 1772716641 LOPZUNVCXYRLGS-UHFFFAOYSA-N 261.001 3.964 0 40 CHAB CCN(Cc1nc(Cc2ccccc2)no1)C1CCCCC1 40120218 VQEKGFPGCUWVDB-UHFFFAOYSA-N 299.418 3.815 0 40 CHAB C[C@@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O 403848 WKRLQDKEXYKHJB-UWWQBHOKSA-N 268.356 3.738 0 40 CHAB in-man Cc1cnc(NC(=O)C2(c3ccccc3)CCCC2)s1 2512740 VMTIPUCXGKYDMS-UHFFFAOYSA-N 286.400 3.902 0 40 CHAB CCCn1ccc2cc(NC(=O)C[C@@H]3CCCO3)ccc21 51420996 CLASPDRCKMOVNQ-HNNXBMFYSA-N 286.375 3.559 0 40 CHAB CCCCc1ccc(C(=O)CSc2nccn2C)cc1 32859633 QHTPBGHBDNLITQ-UHFFFAOYSA-N 288.416 3.738 0 40 CHAB S=c1nc(/C=C\c2ccc(Cl)c(Cl)c2)[nH][nH]1 8653078 PKUYZOUOVQFRAP-RQOWECAXSA-N 272.160 3.944 0 40 CHAB Cc1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1 2685786 UHZHYPVUCFRPSR-UHFFFAOYSA-N 294.383 3.811 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)C1(c2ccccc2)CCC1 41952540 MAKIOUQKGWTFKP-HOCLYGCPSA-N 271.404 3.803 0 40 CHAB C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 67785654 ZCXQGOHSCVPTID-GFCCVEGCSA-N 273.763 3.760 0 40 CHAB Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102184089 FUZHVAMTBFCXTN-DKIMLUQUSA-N 281.399 3.871 0 40 CHAB O=C(Cc1cccs1)N[C@H]1CCC[C@H](C(F)(F)F)C1 44231207 AJOTXCWNBYRRJD-UWVGGRQHSA-N 291.338 3.528 0 40 CHAB Cc1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1 35672082 XGRSRYDITMVNBF-UHFFFAOYSA-N 284.290 3.763 0 40 CHAB S=C(Nc1ccccc1Cl)N1CCCCCC1 3209055 FRQAIOOHONZLNO-UHFFFAOYSA-N 268.813 3.913 0 40 CHAB O=C(O)CCCCCCC(=O)c1ccc(F)c(F)c1 2378678 DCLLJTZZSCJZHH-UHFFFAOYSA-N 270.275 3.573 0 40 CHAB CCOc1ccc(-n2c(S)nc3ccccc32)cc1 3281008 SKBYXQAHBDYBBN-UHFFFAOYSA-N 270.357 3.713 0 40 CHAB CC[C@H](C)NC(=O)Cc1coc2c(C)c(C)ccc12 17321738 BWOUFGAZTQZUKN-NSHDSACASA-N 259.349 3.507 0 40 CHAB Cc1occc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 12872898 COMSQZCFPSFEHQ-CYBMUJFWSA-N 291.347 3.694 0 40 CHAB Cc1csc(SCC(=O)Nc2cccc(C)c2C)n1 3413806 SQDMXPUVEIFGGP-UHFFFAOYSA-N 292.429 3.799 0 40 CHAB COc1cccc([C@H](N)Cc2cc(C)cc(C)c2)c1 38077295 LGFHYNNNCWRVMF-QGZVFWFLSA-N 255.361 3.555 0 40 CHAB in-vitro CN(C)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 7785040 FAZPJCDHGWIYGC-UHFFFAOYSA-N 262.422 3.677 0 40 CHAB O=C(O)Cc1cccc(OCc2ccccc2Cl)c1 48806042 KTKKTWYBSNJANI-UHFFFAOYSA-N 276.719 3.546 0 40 CHAB in-vitro CCc1cc2c(N[C@@H](C)c3cccnc3)ncnc2s1 24059158 YNIQOZYUUMKUEI-JTQLQIEISA-N 284.388 3.822 0 40 CHAB Cc1ccc(OCCCn2nnc3ccccc32)c(C)c1 5015515 SVAFPURJGNMFHQ-UHFFFAOYSA-N 281.359 3.517 0 40 CHAB Cc1ccc(/C=C/C(=O)n2c(C)nc3ccccc32)o1 6278795 VXFVPNPBTBCNIF-MDZDMXLPSA-N 266.300 3.600 0 40 CHAB Cc1cc2c(=O)n(Cc3cccs3)c(=S)[nH]c2s1 17023601 VYBZRCZDCVQNMA-UHFFFAOYSA-N 294.426 3.539 0 40 CHAB O=C1O/C(=C\c2ccc3ccccc3n2)c2ccccc21 4817405 CXPDELLOVTUCGG-BOPFTXTBSA-N 273.291 3.903 0 40 CHAB CC(=O)c1ccc(NC(=S)N2C[C@@H](C)C[C@H](C)C2)cc1 8801743 SMSPZZFACKLMBP-RYUDHWBXSA-N 290.432 3.564 0 40 CHAB CCc1ccc(C(=O)N(C)CCc2ccccc2OC)cc1 96737197 YSBFAHZLPRTXSK-UHFFFAOYSA-N 297.398 3.572 0 40 CHAB O=C(NCc1cccc(Cl)c1)c1ccc2ncccc2c1 71121527 HGFRVVWNOSNSLU-UHFFFAOYSA-N 296.757 3.818 0 40 CHAB O=C(Nc1cccnc1)OCCSc1ccccc1F 97141249 AWRRKOGDCXAITI-UHFFFAOYSA-N 292.335 3.562 0 40 CHAB Cc1ccc(-c2noc(-c3cn[nH]c3C(C)C)n2)cc1F 97164372 DGBXWFCGFWATRE-UHFFFAOYSA-N 286.310 3.698 0 40 CHAB Nc1ccccc1-c1nnc(Nc2ccc(Cl)cc2)o1 35623062 SQTGQAKBCFLHLE-UHFFFAOYSA-N 286.722 3.716 0 40 CHAB C[C@H](c1ccccc1F)[S@@](=O)Cc1cccc(F)c1 78556125 VANOBFVQWXGNFJ-NSPYISDASA-N 280.339 3.975 0 40 CHAB CCNc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72213064 WGKHQEBYJKKLFC-QGZVFWFLSA-N 281.403 3.851 0 40 CHAB Cc1cccc(CCCNC(=O)Cc2cc(C)ccc2C)c1 38753641 JOLCLRKXFOJTPV-UHFFFAOYSA-N 295.426 3.903 0 40 CHAB C[C@@]12CCC[C@@]13CC[C@H](O[C@@H]1CCCCO1)[C@@]3(C)C(=O)C2 71785878 SSIYISSRFZYJJI-IGKNDFSCSA-N 292.419 3.848 0 40 CHAB CC(C)(C)c1cc(Br)c2nc(N)sc2c1 228963907 ZSIXOMMCROSRBU-UHFFFAOYSA-N 285.210 3.939 0 40 CHAB CCOc1ccc(CNC(=O)c2ccc(C)cc2C)cc1 223101639 QQPREEKBJGMZLT-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB C[C@@H]1SCCN(C(=O)Nc2ccc3[nH]ccc3c2)[C@H]1C 89920023 SXWIXQYZKHOXEZ-QWRGUYRKSA-N 289.404 3.526 0 40 CHAB CCOC(=O)c1c(F)c(Cl)c(F)c(Cl)c1F 47202787 FQXKSEUVVJGKAQ-UHFFFAOYSA-N 273.037 3.587 0 40 CHAB CCOC(=O)c1ccc(C(F)(F)F)c(Cl)c1 47202738 JYQCJHNFTNSFQH-UHFFFAOYSA-N 252.619 3.536 0 40 CHAB Cc1ccc(OC[C@@H](C)NC(=O)c2cc(C)ccc2C)cc1 224350808 BWICBCFSENMQHX-MRXNPFEDSA-N 297.398 3.809 0 40 CHAB Cc1ccc(CCC(=O)NC[C@@H](C)c2ccccc2)cc1 224038395 GHFQTQCQFFVYSO-MRXNPFEDSA-N 281.399 3.848 0 40 CHAB CCOC(=O)c1ccc(NCCC2=CCCCC2)c(N)c1 225410074 RJAASQKJLAMUGF-UHFFFAOYSA-N 288.391 3.748 0 40 CHAB Cc1ccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1C 225034671 VOSDHBYTGGOKBG-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CC(=O)c1c(O)n(Cc2ccccc2)c2ccc(C)cc12 96026251 RYUBFNAUQYZFJX-UHFFFAOYSA-N 279.339 3.906 0 40 CHAB COc1ccc([C@H](C)NC(=S)Nc2ccccc2)cc1 13932625 YIANSLFUDQVVOA-LBPRGKRZSA-N 286.400 3.743 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)NCCc1ccccc1 12769705 BMKFVFKBYWGLFS-HNNXBMFYSA-N 282.387 3.598 0 40 CHAB CC(=O)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 15442400 IPXLXOSTJQDOLD-VIFPVBQESA-N 286.171 3.761 0 40 CHAB Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Cl)c1 19478061 GXIMORWFIVGVRY-UHFFFAOYSA-N 295.169 3.757 0 40 CHAB Brc1cnn(Cc2cccc3ccccc23)c1 38074734 KNEJEFFLLJWCPK-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1 48646753 AYWUFQPZGSHWOD-CYBMUJFWSA-N 260.381 3.688 0 40 CHAB Cc1cccc(SCC(=O)Nc2ccc(F)cc2)c1 41848 IZUDYTNZJHFADT-UHFFFAOYSA-N 275.348 3.865 0 40 CHAB c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 103284 LGPHOPXOHBUOCX-UHFFFAOYSA-N 287.326 3.559 0 40 CHAB Cc1ccc2c(c1)Oc1ccccc1C=C2C(=O)O 415543 BKKRTDHFRHTKBX-UHFFFAOYSA-N 252.269 3.726 0 40 CHAB O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(F)c1 11204208 QNUGTGQAHICEHH-MRXNPFEDSA-N 269.319 3.707 0 40 CHAB O=C(CCc1cccc(Br)c1)C1CCC1 2516741 HSECGZWAGNQRRL-UHFFFAOYSA-N 267.166 3.751 0 40 CHAB CC(C)(C)NCC(=O)Nc1ccccc1Oc1ccccc1 10028109 DOIVRMWYLVMBES-UHFFFAOYSA-N 298.386 3.806 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(F)c2)cc1C 8040840 CRFAMBIXBFMPLY-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB COc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1 499693 FPGBMTGFXJAICB-UHFFFAOYSA-N 298.367 3.547 0 40 CHAB CC[C@H](C)C(=O)N1CC[C@H](C)Sc2ccccc21 32904021 XGLSQNLSRKYWDZ-RYUDHWBXSA-N 263.406 3.950 0 40 CHAB Fc1ccc(Oc2cncc(OCc3ccccc3)n2)cc1 32908917 ZKTCHKVYKCPMHC-UHFFFAOYSA-N 296.301 3.987 0 40 CHAB O=C([C@H]1CCCS1)N1CC[C@H]1c1ccc(Cl)cc1 104178943 SKYPESLLOSBCBG-QWHCGFSZSA-N 281.808 3.509 0 40 CHAB O=C(CCc1ccc2ccccc2c1)NCCc1ccco1 54056709 PGWHVFWEVDRINS-UHFFFAOYSA-N 293.366 3.724 0 40 CHAB C[C@@H](NC(=O)CCc1ccsc1)c1ccc(F)cc1 24644363 ZLMUPCRAYIZYNX-LLVKDONJSA-N 277.364 3.697 0 40 CHAB COc1ccc2nc(C(=O)N(C)c3ccccc3)ccc2c1 26066821 NEFOKIZWUOGLDA-UHFFFAOYSA-N 292.338 3.520 0 40 CHAB O=C(Nc1cccc2cccnc12)c1c(F)cccc1F 10216152 MTMJSARCTGZXAH-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB C[C@H](c1cccs1)N(C)C(=O)c1cccc(F)c1 12977155 RMTSIRGCUFNAHB-SNVBAGLBSA-N 263.337 3.720 0 40 CHAB O=C1NC(=O)/C(=C\c2ccc3oc4ccccc4c3c2)S1 3627954 DJDKKCWXOMLADB-RIYZIHGNSA-N 295.319 3.910 0 40 CHAB COCc1ccccc1NC(=O)c1nccc2ccccc12 63475867 NPBSSFLEZQMXJC-UHFFFAOYSA-N 292.338 3.634 0 40 CHAB CC(C)(C)c1cc(C(=O)c2ccccc2)ccc1O 13858773 UEAPCHXAHIUTLR-UHFFFAOYSA-N 254.329 3.921 0 40 CHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CC)cc1 6375280 AYHIZNLKJSLCRQ-UHFFFAOYSA-N 297.354 3.678 0 40 CHAB C[C@@H](SCc1cccc(F)c1F)C(=O)NC(C)(C)C 65589228 HQRNAHHAMRJUER-SECBINFHSA-N 287.375 3.501 0 40 CHAB Cc1ccc(F)cc1NCC(=O)Nc1cccc(Cl)c1 6542765 JXCACLAJANUDKM-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB Cc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)ccn1 6662572 YAWWVCSPASDDBI-UHFFFAOYSA-N 279.343 3.740 0 40 CHAB Cn1cc([C@H]2Sc3ccccc3NC2=O)c2ccccc21 6784449 LTFNBFSDDUOJAL-MRXNPFEDSA-N 294.379 3.964 0 40 CHAB CCCCN(CC)c1ncnc2sc3c(c12)CCC3 7004259 CKXDVMLGKIJTIB-UHFFFAOYSA-N 275.421 3.806 0 40 CHAB CCCC[C@@H](CC)CN1C(=O)c2cscc2C1=O 91301382 PCLDQMLVTDTSOU-SNVBAGLBSA-N 265.378 3.561 0 40 CHAB CC(C)(C)[C@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72405268 ZBFZSDUWFUZPHC-LBPRGKRZSA-N 273.336 3.646 0 40 CHAB Cc1ccc(Cn2c(=O)cc(C)c3ccccc32)cc1 32530237 BGNUNHKDJAACHK-UHFFFAOYSA-N 263.340 3.667 0 40 CHAB Cc1cccc(CSc2nc3ccccc3c(=O)[nH]2)c1 71195315 MUMZALBPROGUBD-UHFFFAOYSA-N 282.368 3.524 0 40 CHAB CC(C)[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1 48184764 XZZAAYRTJHCQGD-LBPRGKRZSA-N 283.799 3.660 0 40 CHAB C[C@@H](O)c1nc2cc(Cl)ccc2n1Cc1ccccc1 40417827 RPQZYGCICJJEKJ-LLVKDONJSA-N 286.762 3.791 0 40 CHAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(F)cc1F 223247115 SELGXFBMNGZOBH-UHFFFAOYSA-N 299.679 3.939 0 40 CHAB CC(C)CCNC(=S)Nc1ccc2sncc2c1 225173151 UNWXIXUIFLQHAE-UHFFFAOYSA-N 279.434 3.629 0 40 CHAB c1cc(-c2ccc3c(c2)C2(CCNCC2)CC3)co1 96241706 ZWXHFSPQAZPQFD-UHFFFAOYSA-N 253.345 3.514 0 40 CHAB Cc1cn(C(C)C)nc1NCc1cnn(C2CCCC2)c1 256054309 VVKWSWWTXRBEAX-UHFFFAOYSA-N 287.411 3.696 0 40 CHAB CCCc1ccc(-c2cc[nH]c2C(=O)OCC)cc1 1772714882 CSNPRUKJRPNHHI-UHFFFAOYSA-N 257.333 3.811 0 40 CHAB CCC[C@H](CC)[C@H](C(=O)OCC)C1=NC(C)(C)C[C@H](C)O1 5105506 DVDAUYKMYNRTGT-IHRRRGAJSA-N 297.439 3.978 0 40 CHAB CCC(CC)c1nnc(NC(=O)Cc2ccccc2)s1 5860294 ZJFUJTOECKPHMG-UHFFFAOYSA-N 289.404 3.623 0 40 CHAB Cc1nc(-c2nc(C)c3ccccc3n2)nc2ccccc12 15083537 HRGXFWBTGSAQOK-UHFFFAOYSA-N 286.338 3.857 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1F 3608504 MUPFPGNDJWQETC-INIZCTEOSA-N 269.319 3.633 0 40 CHAB CCc1cccc(NC(=O)c2cccnc2Cl)c1 5477421 YAOOKDLPPDAZQP-UHFFFAOYSA-N 260.724 3.550 0 40 CHAB OC1(c2ccc(Cl)cc2)CCN(C2CCCC2)CC1 1257349673 XYNCCPQDMRGEJW-UHFFFAOYSA-N 279.811 3.566 0 40 CHAB CCC(CC)(CC(=O)Nc1cccc(SC)c1)C(=O)O 11261627 UAFQVVONJOBIGU-UHFFFAOYSA-N 295.404 3.628 0 40 CHAB CCOP(=O)(NC12CC3CC(CC(C3)C1)C2)OCC 5045581 LXTCUMJRFQEZTJ-UHFFFAOYSA-N 287.340 3.726 0 40 CHAB Cc1cc(NC(=O)c2cccc(SC(C)C)c2)no1 10253304 UBDVCOFUNQXBKA-UHFFFAOYSA-N 276.361 3.736 0 40 CHAB Cc1ccccc1-c1nc2cc(C(=O)O)ccc2o1 20222858 GUOXQEMPPAQVQK-UHFFFAOYSA-N 253.257 3.501 0 40 CHAB CCN(CC)c1ccc(C(=O)COc2ccccc2)cc1 575242795 MWOKWKSCGSXQPH-UHFFFAOYSA-N 283.371 3.795 0 40 CHAB COc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1C 30982637 JBYTYLVKBVLPPZ-AWEZNQCLSA-N 298.386 3.564 0 40 CHAB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1cccc(Cl)c1 100449825 NYTRSJIUYQSYKZ-PHIMTYICSA-N 280.751 3.804 0 40 CHAB O=C(C1CC1)N1CCC[C@H]1c1ccccc1C(F)(F)F 69454214 SWJDVNRZQBVECV-ZDUSSCGKSA-N 283.293 3.779 0 40 CHAB O=C(CCC(=O)c1ccccc1)Nc1ccc(F)cc1F 6432786 PXVAKJHRVNGEJQ-UHFFFAOYSA-N 289.281 3.566 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C 6435793 QEHJUPGOGGULER-WDMOLILDSA-N 265.784 3.895 0 40 CHAB C[C@@H]1[C@@H](NC(=O)COc2ccc(Cl)cc2)CCC[C@H]1C 102594028 ZHGZWBNIFFCUSW-XUJVJEKNSA-N 295.810 3.660 0 40 CHAB O=C(Oc1ccc(Cl)cc1)c1ccc2nccnc2c1 478775 OLHHBEPUKINSSE-UHFFFAOYSA-N 284.702 3.502 0 40 CHAB CCC(CC)C(=O)Nc1nnc(-c2ccccc2)s1 795773 VHYKHSYMJSCNEB-UHFFFAOYSA-N 275.377 3.580 0 40 CHAB CC(C)(C)CC(C)(C)NC(=O)c1cccc(F)c1 59240692 FRUNEOSOTBUBSZ-UHFFFAOYSA-N 251.345 3.770 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(S)nc(C(F)(F)F)c12 100747065 FMPXSYUWRRBPDK-QTTZVWFDSA-N 288.338 3.959 0 40 CHAB CC(C)[C@H](NC(=O)Cc1cccs1)c1cccs1 24316719 WLIRAJFVVSAVAZ-AWEZNQCLSA-N 279.430 3.866 0 40 CHAB c1ccc(Cn2cc(CNC3CC3)c3ccccc32)cc1 57353087 DAICRRZQJMRDCR-UHFFFAOYSA-N 276.383 3.942 0 40 CHAB COc1cccc(CC(=O)Nc2ccc(F)cc2Cl)c1 12599214 HGYKXABZQDCMBO-UHFFFAOYSA-N 293.725 3.669 0 40 CHAB COc1ccc(-c2nc3ccccc3s2)cc1OC 1508712 JMSHSEQKUVZWNO-UHFFFAOYSA-N 271.341 3.981 0 40 CHAB O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(O)cc1 62714967 ZVFCKZLLCUPFHD-RUDMXATFSA-N 273.719 3.698 0 40 CHAB C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@@]45C[C@H]4CC[C@]35C)[C@@H]1CCC2=O 118934199 NIDVKCKYZAQGOI-PPNLGVNVSA-N 288.431 3.569 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)c(C)c1 27269588 OUEDWILKLCJBFT-QGZVFWFLSA-N 280.371 3.676 0 40 CHAB Fc1ccc(OCCCCCCNC[C@H]2CCCO2)cc1 2289231 GULXWPXWAAVKQF-QGZVFWFLSA-N 295.398 3.534 0 40 CHAB CCCCNC(=O)CCC(=O)c1ccc2ccccc2c1 12811372 JMHWJVAGNBCVAO-UHFFFAOYSA-N 283.371 3.719 0 40 CHAB Clc1ccc(-c2nnc3ccc(Cl)nn23)c(Cl)c1 13624898 IHJDUNMCJYZPSP-UHFFFAOYSA-N 299.548 3.752 0 40 CHAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 4680005 OBNVRJNQRLVPFJ-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc2c1CCCC2 14633202 QGWYWTJLJFNTBQ-CYBMUJFWSA-N 255.361 3.860 0 40 CHAB C[C@H](CC(=O)NCCc1cccc(F)c1)C(C)(C)C 84636786 VBNMYUQOXNDIAB-GFCCVEGCSA-N 265.372 3.557 0 40 CHAB Fc1ccc(CSc2nnc(C(F)F)[nH]2)c(Cl)c1 216902582 FJKKKRZBCDGDJF-UHFFFAOYSA-N 293.701 3.827 0 40 CHAB O=C(c1ccc(Br)s1)C(F)(F)Cl 306156147 IYHZRGKRCYVMPD-UHFFFAOYSA-N 275.501 3.525 0 40 CHAB O=C(O)[C@@H](CSc1ccccc1)c1ccccc1 62764530 GRLOFCAHYJQBGZ-AWEZNQCLSA-N 258.342 3.647 0 40 CHAB CCCN1CCCC[C@@H]1c1ccc(OC(C)C)nc1 72211917 FAXOELMBIDKOOE-OAHLLOKOSA-N 262.397 3.806 0 40 CHAB CC(C)N1CCC[C@H]1c1ccc(NC2CCC2)nc1 72213838 DJGPUCFARRPBDB-HNNXBMFYSA-N 259.397 3.591 0 40 CHAB O=C(Nc1ccc(F)cc1)c1conc1-c1ccccc1 225871079 NTBXAEMTAVVPMZ-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB O=C(CCc1ccccc1F)NCCC1=CCCCC1 47221470 FCYMCJCSGNBJCA-UHFFFAOYSA-N 275.367 3.765 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCC1=CCCCC1 224436248 UGVZAEOWXBHLEJ-KRWDZBQOSA-N 287.403 3.769 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Cc2ccccc2F)cc1 43741462 AGSMDGAPRUQFBI-ZDUSSCGKSA-N 271.335 3.554 0 40 CHAB CCC[n+]1cccc(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 226774506 IGUSWSZDYQLGQK-UHFFFAOYSA-N 286.786 3.889 0 40 CHAB Cc1ccc2c(Br)c(C)cc(F)c2n1 85399712 NYOATSZTHLWFKN-UHFFFAOYSA-N 254.102 3.753 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1C 44901152 DMDNPZQDJFBOPI-OAHLLOKOSA-N 297.398 3.641 0 40 CHAB C[C@]12CCC3=C4CC[C@@H](O)C=C4CC[C@H]3[C@@H]1CCC2=O 83291956 QDFACJJKOZIYTJ-ANRZDRKOSA-N 272.388 3.553 0 40 CHAB CC1(C)C(=O)C(C)(C)c2cc(Br)ccc21 96171789 ZSRPRVAVCOTICX-UHFFFAOYSA-N 267.166 3.587 0 40 CHAB Cc1nnc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)o1 96500938 HURDIAZFWBYPBM-AWEZNQCLSA-N 297.761 3.657 0 40 CHAB CCCC[S@@](=O)Cc1ccc(-n2nc(C)cc2C)cc1 97376250 WESISZHHTXNJDJ-FQEVSTJZSA-N 290.432 3.538 0 40 CHAB C/C(=C/c1ccc(Oc2cnccn2)cc1)c1cnccn1 97098191 PALZNQTYLSJLSW-RAXLEYEMSA-N 290.326 3.619 0 40 CHAB Cc1ccc(C(=O)C(F)(F)C(F)(F)F)cc1F 95916966 HLJUNUWNBQEAOR-UHFFFAOYSA-N 256.145 3.514 0 40 CHAB CCc1c(C(F)(F)F)nc2ccc(F)cc2c1O 685937970 DWIVSBYGPOLMMD-UHFFFAOYSA-N 259.202 3.661 0 40 CHAB O=C(CC1CCCCC1)N1CCC[C@@H](C(F)(F)F)C1 65550704 YSACKARGWWXJSE-GFCCVEGCSA-N 277.330 3.758 0 40 CHAB CC(C)C(=O)Nc1ccc(C2(C(=O)O)CCCCC2)cc1 169676777 PQECQAIIRLUGKK-UHFFFAOYSA-N 289.375 3.568 0 40 CHAB COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710294 ATMTULIWKKVHRN-CQSZACIVSA-N 299.370 3.718 0 40 CHAB O=C(CCCOc1ccccc1)Nc1c(F)cccc1F 14398707 XTFZKYPHWRSRLO-UHFFFAOYSA-N 291.297 3.763 0 40 CHAB Cc1cccc(OCCCNC(=O)Nc2ccccc2)c1 18177522 LVODTVWFQJTGJX-UHFFFAOYSA-N 284.359 3.586 0 40 CHAB C(=C/c1ccccc1OCc1cccnc1)\c1ccncn1 157361219 KYRPUMWYVZNNOE-BQYQJAHWSA-N 289.338 3.621 0 40 CHAB CCCC[C@@H]1OC[C@@]2(COC(C)=O)[C@@H](C)C=C(C)[C@H]1[C@H]2C 504217295 PTOBLQWYQHCBCQ-YFUQURRKSA-N 294.435 3.973 0 40 CHAB biogenic FC(F)(F)c1cccc(-c2cnc([C@@H]3CCCN3)cn2)c1 616576709 XNSQWIKWRSQPSO-LBPRGKRZSA-N 293.292 3.587 0 40 CHAB C[C@@H](c1ccccc1)N1CCC[C@H](COc2ccncc2)C1 1888860185 QTCZJRWRFVPTKF-IRXDYDNUSA-N 296.414 3.934 0 40 CHAB O=C(NC1CCCCC1)C1(c2ccccc2)CCC1 32895332 ZEOYFTMYYLWRPZ-UHFFFAOYSA-N 257.377 3.557 0 40 CHAB O=C(O)CC1(CC(=O)c2cccc(Cl)c2)CCCC1 2580184 CZKDULYEJFXZKN-UHFFFAOYSA-N 280.751 3.948 0 40 CHAB COc1ccc(C(=O)COc2ccccc2)c(Cl)c1 575242937 MXKIWHNONUBCIS-UHFFFAOYSA-N 276.719 3.610 0 40 CHAB Cc1ccc2oc(C(=O)N[C@@H](C)c3ccccc3)cc2n1 8793793 WYTLTLRZKGTKQE-LBPRGKRZSA-N 280.327 3.627 0 40 CHAB CSc1ccc(CN(C)C(=O)C2CCCC2)cc1 40457441 PWTHXYHHFJWXIR-UHFFFAOYSA-N 263.406 3.557 0 40 CHAB Cc1ccccc1C(=O)Nc1cc(Cl)ccc1C(=O)O 45804 QLWFWEOLUKXAEC-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CC(C)(C)c1ccc(C(=O)NOCc2ccccc2)cc1 8096639 VOLBZCNMUMTPGF-UHFFFAOYSA-N 283.371 3.846 0 40 CHAB CC[C@@H](C)NC(=O)Nc1ccccc1C(F)(F)F 1640301 VBUQYOXMFHATDA-MRVPVSSYSA-N 260.259 3.625 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 3608001 BDSQTCMJRURTIU-CQSZACIVSA-N 269.344 3.709 0 40 CHAB COc1ccc(C(=O)CCc2cccc(C)c2)cc1 2516416 YRMGZGUHCQFKCM-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB O=C(NCCc1cccs1)c1cccc(C(F)(F)F)c1 7798288 JLVORAFFAGWVMV-UHFFFAOYSA-N 299.317 3.739 0 40 CHAB O=C(c1ccc(Br)cc1)c1ccc(F)cc1F 36940693 ZFOKVCSABADVIS-UHFFFAOYSA-N 297.098 3.958 0 40 CHAB CSc1ccc(NC(=O)CCOc2ccccc2)cc1 10510835 OGRVNJVBHRLQGB-UHFFFAOYSA-N 287.384 3.816 0 40 CHAB C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 32978371 RRFBOSYOUDJSBL-KBXCAEBGSA-N 295.382 3.710 0 40 CHAB COc1ccc(-c2nc(Cl)n(-c3ccc(C)cc3)n2)cc1 22125259 WMEUBSXNQSJQLM-UHFFFAOYSA-N 299.761 3.905 0 40 CHAB C[C@@]12CC3(Br)CC(C(=O)O)(C1)C[C@@](C)(C3)C2 101363463 DETOHPFJIVGWJO-ZSVAQUKISA-N 287.197 3.585 0 40 CHAB CCCn1nc(NC(=O)C(C)C)c2cc3ccccc3nc21 524732 OMIRNFBWVJQUQA-UHFFFAOYSA-N 296.374 3.589 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccccc1 22520111 NDMBZNNYDICZRK-GOSISDBHSA-N 297.398 3.811 0 40 CHAB COc1ccc(C)cc1-c1csc(-c2cnccn2)n1 58244072 KCRNQBFZAUEUBP-UHFFFAOYSA-N 283.356 3.584 0 40 CHAB COc1ccc(CCC(=O)Nc2ccccc2C)cc1 3481352 PYUDNFSPZBINHR-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB Cc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1 3449618 PNACLGKHTHGRDX-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1O 12941905 LFMSPJQLVNIBRU-UHFFFAOYSA-N 291.350 3.818 0 40 CHAB Cc1nc(-c2ccccc2)nc2sc(C(=O)O)c(C)c12 13692434 KSNLGBYCBJSBBA-UHFFFAOYSA-N 284.340 3.673 0 40 CHAB CCN(CC)CCCNC(=O)Nc1cccc2ccccc12 6205163 XHWXRJBYIGSLRW-UHFFFAOYSA-N 299.418 3.693 0 40 CHAB CCOc1ccccc1NC(=O)/C=C/c1ccsc1 14244343 DMDGFUXERRGUES-BQYQJAHWSA-N 273.357 3.799 0 40 CHAB COc1ccnc(N[C@H](C)c2cccc3ccccc23)n1 14240310 MQXHWHLYMCAUHS-GFCCVEGCSA-N 279.343 3.812 0 40 CHAB CCCCc1nnc(NC(=O)c2ccc(C)s2)s1 14250028 QCHNSPZEYDUDHF-UHFFFAOYSA-N 281.406 3.503 0 40 CHAB CCOc1ccccc1NC(=O)Cc1c[nH]c2ccccc12 5464703 NEADQGNMUSBVBR-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCCC[C@H]1C 5747473 CHRNFXUNBCWKDC-MFKMUULPSA-N 281.783 3.657 0 40 CHAB CCC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 9355166 HAIGUSSWHVZHFP-UHFFFAOYSA-N 266.300 3.843 0 40 CHAB Cc1noc(C)c1CC(=O)Nc1ccc(C(C)(C)C)cc1 22392566 FHSJNAPMRCRVIM-UHFFFAOYSA-N 286.375 3.770 0 40 CHAB Oc1cc(C(F)F)nc2ccc(Br)cc12 61629466 ZEGAQALDXGRVIE-UHFFFAOYSA-N 274.064 3.641 0 40 CHAB COc1ccc(C(=O)c2cccc3ccccc23)cc1N 79907992 AMWZBEMOTGXLQS-UHFFFAOYSA-N 277.323 3.662 0 40 CHAB CCN1CC=C(c2nc3ccc(F)cc3s2)CC1 73638886 UWDSGAFYZBKMTM-UHFFFAOYSA-N 262.353 3.544 0 40 CHAB COc1ccc(-c2cc(-c3ccccc3F)nc(N)n2)cc1 71977356 AOXSKZYDXTWBKL-UHFFFAOYSA-N 295.317 3.541 0 40 CHAB Cc1cccc([C@H]2CCCN2C(=O)OCc2ccccc2)n1 72211074 UPAILPLVYQDKCL-QGZVFWFLSA-N 296.370 3.864 0 40 CHAB CCc1ccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)cc1 71979165 FIMVHDWHKIBXJT-KRWDZBQOSA-N 294.354 3.641 0 40 CHAB COC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 33495419 ZJLVOLWJNUPTDZ-UHFFFAOYSA-N 286.718 3.670 0 40 CHAB COC(=O)c1cc(Cl)ccc1OCc1cccc(F)c1 216805688 BJUUTFUIMYHNJO-UHFFFAOYSA-N 294.709 3.845 0 40 CHAB CCCN1CCCC[C@@H]1c1cccnc1Br 72211627 QNCXWXVXXWABRY-GFCCVEGCSA-N 283.213 3.781 0 40 CHAB CC(C)(C)c1noc2ccc(Br)cc12 228940613 XBAWROFYKILTIS-UHFFFAOYSA-N 254.127 3.888 0 40 CHAB CC[C@H](C(=O)O)N(CC)c1ccc(Cl)cc1Cl 224994456 LENHHBSLYROZFK-SNVBAGLBSA-N 276.163 3.683 0 40 CHAB CCc1ccc(CC)c(CNC(=O)c2ccccc2)c1 225138231 JRMPBCLYFPYLQO-UHFFFAOYSA-N 267.372 3.741 0 40 CHAB C[C@@H]1CCC[C@@H](CCN[C@H](c2ccncc2)c2ncc[nH]2)C1 225594377 OZLFOINJYVINDS-HLLBOEOZSA-N 298.434 3.700 0 40 CHAB CCCN(c1cccc2ccccc12)[C@@H](CC)C(=O)O 224986525 BLGKLDHOEDKTET-HNNXBMFYSA-N 271.360 3.919 0 40 CHAB Cc1c(CN[C@H](c2cc3ccccc3o2)C(C)C)cnn1C 97229845 LMGDSDNQQBFZHQ-SFHVURJKSA-N 297.402 3.962 0 40 CHAB C[C@H](O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 242701546 WHOGNKUXQJMVBC-KKXDTOCCSA-N 268.356 3.750 0 40 CHAB CCOc1ccc(CNc2cn(CC(C)C)nc2C)cc1 256052181 MFPWAVNYJUJBSZ-UHFFFAOYSA-N 287.407 3.858 0 40 CHAB O=C(c1ccc(Cl)c(Cl)c1)[C@H]1CC=CC[C@H]1C(=O)O 95634170 VRMSGOQZYFIZEH-VHSXEESVSA-N 299.153 3.843 0 40 CHAB CCn1nc(C)c(NCc2ccc(C)c(C)c2)c1C 89300230 FTLQVXAPOIQRBU-UHFFFAOYSA-N 257.381 3.749 0 40 CHAB CCCCOCCOc1ccc(Br)cc1 38340596 VCYIYJQUZWBKPG-UHFFFAOYSA-N 273.170 3.645 0 40 CHAB Cc1ccc(OCCCC(=O)N(C)Cc2ccccc2)cc1 5752497 DGTICKOYRCCCJO-UHFFFAOYSA-N 297.398 3.813 0 40 CHAB COc1cccc(NC(=O)CCSc2ccccc2)c1 16030004 RIHMHLSTBGZVJX-UHFFFAOYSA-N 287.384 3.816 0 40 CHAB C[C@@H]1[C@@H](c2cccs2)N[C@@H](c2cccs2)[C@@H](C)[C@@H]1O 239562565 CPNYMZKNSCYTRC-PSDLAXTLSA-N 293.457 3.828 0 40 CHAB CO[C@@H](CNc1ncnc2ccsc12)c1ccsc1 1775972466 HMPGGZPTSRWHHZ-NSHDSACASA-N 291.401 3.552 0 40 CHAB O=C(c1ccc2c(c1)CCO2)N1CCC[C@@H]1c1ccsc1 40107757 BDFNHXMYFQWFBG-OAHLLOKOSA-N 299.395 3.660 0 40 CHAB O=C(C1CC1)N1c2ccccc2CCc2ccccc21 169734 NHRKOUNXZIHDFD-UHFFFAOYSA-N 263.340 3.860 0 40 CHAB CC(=O)N1N=C(c2ccc(C)cc2)O[C@H]1c1ccc(C)cc1 2488496 OBEHISVWEGNNJT-SFHVURJKSA-N 294.354 3.543 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc(Cl)cc2F)nc1 20407229 XKWOMHMVFZAKEL-UHFFFAOYSA-N 279.702 3.827 0 40 CHAB O=C(N[C@H](c1cccs1)C1CCCC1)C1CCC1 31806303 CAVCZXPYJVHLJO-AWEZNQCLSA-N 263.406 3.896 0 40 CHAB O[C@@H](c1cccc2cc(Cl)ccc12)[C@H]1CCCCN1 1655467 UUUVXBQKOPGAGB-CVEARBPZSA-N 275.779 3.669 0 40 CHAB COc1ccc([C@@H]2NCCC[C@H]2c2ccccc2)cc1 1700404 HOBHPIQVTRUWBT-ROUUACIJSA-N 267.372 3.904 0 40 CHAB COc1ccc(C(=O)CCc2cccc(OC)c2)cc1 2516496 KLCUWKHPHIOLEZ-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccc(O)cc1)C2 3649932 WZBMPPVYPMMRNT-MRRJBJDNSA-N 274.360 3.764 0 40 CHAB COC(=O)C[C@@]1(C)O[C@H]2CCCC[C@H]2C2=CCCC[C@H]21 4027585 WNVJVFWHEQPCPV-QSJFSLAZSA-N 278.392 3.624 0 40 CHAB c1ccc2oc(Sc3nnc(C4CC4)n3C3CC3)nc2c1 51590885 LRUJXGYYSFZNGI-UHFFFAOYSA-N 298.371 3.783 0 40 CHAB O=C(Nc1nc(-c2cccnc2)cs1)C1CCCCC1 6830387 PJYHJZDWJFYBKS-UHFFFAOYSA-N 287.388 3.724 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)CNc1ccc(Cl)cc1F 21887374 ADGYLGHJSBWVRB-GXFFZTMASA-N 298.789 3.586 0 40 CHAB CN(C)[C@H](Cc1ccccc1)C(=O)c1cc2ccccc2o1 9514984 MKROPNILIRXSKL-MRXNPFEDSA-N 293.366 3.788 0 40 CHAB Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1C 22560757 WAKMPDANMXFCEH-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB COCCn1c(-c2ccc(C)cc2)cc2c1C[C@H](C)CC2=O 3135543 YNLQVPBLGPMSLS-AWEZNQCLSA-N 297.398 3.875 0 40 CHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1F)c1ccncc1 43450604 QEYWUVKCLZPOGL-SECBINFHSA-N 293.729 3.757 0 40 CHAB CCC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1Cl 1874015 ANUOYPJLLANBOF-WDEREUQCSA-N 297.782 3.806 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C)c(N)c1 66325969 WLYSYSOBIFEYKV-UHFFFAOYSA-N 264.369 3.913 0 40 CHAB CCCCCNC(=O)[C@@H](CC)Oc1cc(C)ccc1C 20035590 COQCECPRMLQPGY-OAHLLOKOSA-N 277.408 3.767 0 40 CHAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(F)cc1 12828228 LJOMLDVNLZHOQW-UHFFFAOYSA-N 290.363 3.803 0 40 CHAB CCSCCC(=O)Nc1ccc2[nH]c(C)cc2c1 48572741 XPINUDZIKPKAHQ-UHFFFAOYSA-N 262.378 3.558 0 40 CHAB C[C@H](OC(=O)c1ccn[nH]1)c1ccc(C(C)(C)C)cc1 49020425 JZFKPFNJTUYSBF-NSHDSACASA-N 272.348 3.625 0 40 CHAB COc1ccc(-c2noc(-c3cccc(C)c3)n2)cc1OC 4204878 NNPRUPDBYGPKOP-UHFFFAOYSA-N 296.326 3.729 0 40 CHAB CCC[C@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4700756 UYCXRTUOFYFFEZ-NSHDSACASA-N 283.799 3.802 0 40 CHAB O=C(Nc1ccc(Cl)cn1)[C@@H]1C[C@H]1c1ccc(F)cc1 67184025 OKFNABZRBMKEPQ-QWHCGFSZSA-N 290.725 3.616 0 40 CHAB Cc1ccc(SCc2cc(=O)n3ccccc3n2)c(C)c1 15346295 IRADITDADPXHFN-UHFFFAOYSA-N 296.395 3.604 0 40 CHAB Cc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c(C)c1 16031325 AALQDHMAEFOMPZ-MRXNPFEDSA-N 295.338 3.544 0 40 CHAB O=C(Nc1ccccn1)c1ccc(SC(F)(F)F)cc1 9338920 DTYWAYVRUHNYDG-UHFFFAOYSA-N 298.289 3.946 0 40 CHAB Cc1csc([C@@H](C)CNC(=O)Nc2cscc2C)n1 97113459 XHXFJCMWYCHUPO-QMMMGPOBSA-N 295.433 3.747 0 40 CHAB CCOc1ccc([C@H]2CCCN2C(=O)/C=C/SC)cc1 75107575 SIZXQUQKIJMNPY-HBIYDYFMSA-N 291.416 3.626 0 40 CHAB C[C@]12C=C[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 33358750 RMHPKSNNHHZEJF-USOAJAOKSA-N 286.415 3.655 0 40 CHAB Brc1cccc(-c2nc3ncccc3o2)c1 73638983 GVGHEWYGHVPYGC-UHFFFAOYSA-N 275.105 3.652 0 40 CHAB CN1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214333 XAXNSOLNWQQLST-CYBMUJFWSA-N 291.395 3.585 0 40 CHAB O[C@H](c1ccccc1)c1ccc(N2CCCCCC2)nc1 72225473 LNYDYWVCSRWOMX-GOSISDBHSA-N 282.387 3.544 0 40 CHAB NC(=O)c1ccc2nc(-c3cccc(Cl)c3)sc2c1 73740402 HWBAQTZJLDBWCM-UHFFFAOYSA-N 288.759 3.716 0 40 CHAB Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(N)c1 70462844 VAGGVTPMLCATKX-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB CC(C)c1nnc2sc(-c3c(F)cccc3Cl)nn12 40267462 VFPZPWCJOCZXBS-UHFFFAOYSA-N 296.758 3.769 0 40 CHAB Cn1ncc2c1N=C(O)C[C@@H]2c1c(Cl)cccc1Cl 49545918 YUZNFNCBVKRFQB-ZETCQYMHSA-N 296.157 3.851 0 40 CHAB CC(C)c1noc(CN2CCC[C@H]2c2ccsc2)n1 44937875 NJEKLSGSLCJBLV-LBPRGKRZSA-N 277.393 3.592 0 40 CHAB CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C 225590778 NUWRFNMBQKLVOC-UHFFFAOYSA-N 296.581 3.702 0 40 CHAB COc1cc(CNc2cccc(CO)c2)ccc1SC 191943647 ZDYSBBKUHLEPRP-UHFFFAOYSA-N 289.400 3.522 0 40 CHAB C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)s2)CCC[C@H]1C 245228141 GNAQFHZACMKTJG-UTLUCORTSA-N 271.813 3.956 0 40 CHAB Cc1ccc(-c2ccc(C(=O)NC(C)C)c(C)n2)cc1 257173729 VTIWTPJMSZUWHX-UHFFFAOYSA-N 268.360 3.504 0 40 CHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccsc1 253471448 CQGZIHVTVYPAEE-NSHDSACASA-N 285.368 3.855 0 40 CHAB CCc1[nH]c2cc(Br)ccc2c(=O)c1C(C)C 685938140 KODIYOTYPCMTPX-UHFFFAOYSA-N 294.192 3.976 0 40 CHAB c1ccc(N2CCCCC2)c(NCc2nc(C3CC3)no2)c1 55825769 BGUZREZLHZZWCW-UHFFFAOYSA-N 298.390 3.549 0 40 CHAB Nc1cc(Cl)cc(NC(=O)OCc2ccccc2)c1 169805088 CZMGWIAXDJZZTP-UHFFFAOYSA-N 276.723 3.671 0 40 CHAB CCOC(=O)CCCSc1cc(C)c2ccccc2n1 57480782 MTSKYQWFOGGKJS-UHFFFAOYSA-N 289.400 3.979 0 40 CHAB C[C@H](Oc1ccccc1F)C(=O)c1c[nH]c2ccccc12 5859749 YUKVIQSPXNOCOW-NSHDSACASA-N 283.302 3.957 0 40 CHAB CCCOC(=O)C1c2ccccc2Oc2ccccc21 1593437 BNIBUAVXPXWJHR-UHFFFAOYSA-N 268.312 3.877 0 40 CHAB Cc1ccc(NC(=S)Nc2cccc(F)c2)cc1 13786741 HUONSDCMKRIJQA-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB FC(F)(F)c1cccc(-c2cncc([C@H]3CCCN3)n2)c1 616576657 XCDGBBRMPJKOSC-GFCCVEGCSA-N 293.292 3.587 0 40 CHAB c1cncc(CN2[C@H]3CC[C@H]2CC(=C2CCC2)C3)c1 1776001658 FHCPCWSPYGVJEX-IRXDYDNUSA-N 254.377 3.689 0 40 CHAB Cc1ccc(NCc2nc(-c3cccs3)no2)cc1 37389999 CMHWEYRPWYRVLF-UHFFFAOYSA-N 271.345 3.719 0 40 CHAB O=C1C[C@H](c2ccccc2)c2c(-c3ccccc3)n[nH]c2O1 4626280 RJUARKZSTIIMBO-CQSZACIVSA-N 290.322 3.518 0 40 CHAB CC(C)(C)C(=O)Nc1ncnc2sc3c(c12)CCCC3 68561 ZLYUMQKUBLBDRF-UHFFFAOYSA-N 289.404 3.555 0 40 CHAB CCCCn1c(C)c(C(=O)OCC)c2cc(O)ccc21 2489593 RUIUGRJNBYYBLQ-UHFFFAOYSA-N 275.348 3.632 0 40 CHAB C[C@H](CNC(=O)c1ccccc1Cl)c1ccccc1 223976 KLXLGIAAQJGJFA-GFCCVEGCSA-N 273.763 3.874 0 40 CHAB Cc1ccn2cc(-c3ccc4c(c3)OCO4)cc2c1 368333 AVGQSVNGFARSGT-UHFFFAOYSA-N 251.285 3.643 0 40 CHAB CCCCCCNC(=O)c1cccc(Br)c1 4839439 JKUIPWXCVWSAIF-UHFFFAOYSA-N 284.197 3.759 0 40 CHAB Cc1ccc(C(=O)NCCSCc2ccccc2)cc1C 7642561 PHDCVZKPNHSOSN-UHFFFAOYSA-N 299.439 3.967 0 40 CHAB CCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1OC 21580439 ROEJMXWVVIBPIU-UHFFFAOYSA-N 295.342 3.587 0 40 CHAB Cc1ccc(CN(C(=O)c2ccco2)c2ccccn2)cc1 11914719 YOUOSSZBAYWPAR-UHFFFAOYSA-N 292.338 3.830 0 40 CHAB Cc1cccc(CSCC(=O)Nc2ccccc2O)c1 8191131 ABLGTCNPJUPSFM-UHFFFAOYSA-N 287.384 3.573 0 40 CHAB CC[C@@H](C)C(=O)N1CC[C@@H](C)Sc2ccccc21 32904018 XGLSQNLSRKYWDZ-VXGBXAGGSA-N 263.406 3.950 0 40 CHAB Cc1ccc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)o1 21902885 JSLPTHVRKVHWSZ-UHFFFAOYSA-N 296.370 3.958 0 40 CHAB Cc1nn(C(C)C)c(C)c1NC[C@@H]1C[C@H]2C=C[C@H]1C2 103033372 MISORTSLSQPGAR-KKUMJFAQSA-N 259.397 3.705 0 40 CHAB CN(C)c1ccccc1Nc1ccccc1N(C)C 59096193 JAEMXIQPMPWWNY-UHFFFAOYSA-N 255.365 3.562 0 40 CHAB in-vitro Cc1ccc([C@H](C)NC(=O)CCn2ccc3ccccc32)o1 23306819 OBGNKHKECXZIBO-AWEZNQCLSA-N 296.370 3.810 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(F)c1 20454600 AQHBMHNXWUSPDA-HNNXBMFYSA-N 291.297 3.761 0 40 CHAB Cc1ccc(NC(=O)Cc2csc3nc(C)cn23)c(C)c1 24974075 YXFZFZAJUFKBFO-UHFFFAOYSA-N 299.399 3.502 0 40 CHAB CCN(CC)[C@H](C)C(=O)C12CCC3C[C@H](C[C@@H](C3)C1)C2 102583941 RWYVMAIKRGMMHS-MYPHYYIGSA-N 277.452 3.892 0 40 CHAB Clc1ccc2c(NCCc3ccccc3)ncnc2c1 1405682 OMNSLPMDSCDZMN-UHFFFAOYSA-N 283.762 3.938 0 40 CHAB Cc1cccnc1[C@H](NC(=O)c1ccsc1)C(C)C 71908534 NMUJHDOXTZFILQ-CYBMUJFWSA-N 274.389 3.579 0 40 CHAB N[C@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 12505306 JZJJTQVNFGDENN-CQSZACIVSA-N 299.761 3.633 0 40 CHAB Cc1ccccc1C[S@@](=O)Cc1ccc(F)cc1 58168092 JWCMQIMGSNDCRZ-GOSISDBHSA-N 262.349 3.583 0 40 CHAB Cc1cc(C)cc(C(=O)CCCCCCC(=O)O)c1 2378656 YRXXUHBSXOXXNI-UHFFFAOYSA-N 262.349 3.911 0 40 CHAB C[C@H]1CCCCN1CCCNc1nc2ccccc2o1 12898004 MNDSDSAQOXOCPO-ZDUSSCGKSA-N 273.380 3.504 0 40 CHAB CC(C)CCNC(=S)Nc1cccc(Cl)c1 3429204 ANQDAIVHODPUJY-UHFFFAOYSA-N 256.802 3.673 0 40 CHAB Cc1cc(C)c(NC(=O)CN2CCCCCCC2)c(C)c1 3538894 NKPNINRPEXYCPP-UHFFFAOYSA-N 288.435 3.816 0 40 CHAB Cc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)cc1F 3536984 DGKLTGOHLDWWQR-ZDUSSCGKSA-N 298.361 3.524 0 40 CHAB C[C@H]1N(O)[C@@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C 4328348 QAFLQITYULGKSZ-RDDDGLTNSA-N 291.178 3.555 0 40 CHAB Cc1cccc(-c2nnc([C@@H](C)N3CCC(C)CC3)o2)c1 39987698 HGLVJVJHPAZRNZ-CQSZACIVSA-N 285.391 3.838 0 40 CHAB O=C(NCc1ccccc1)c1ccc(OC(F)(F)F)cc1 6337453 PQDVEFOYZRRGNH-UHFFFAOYSA-N 295.260 3.515 0 40 CHAB Cc1cccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1 6811201 ASWAMHFCTHDPDK-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB O=C(Nc1ccc(Cl)cn1)[C@@H]1C[C@H]1c1cccc(F)c1 67030290 AJFJKCYTLANBIX-QWHCGFSZSA-N 290.725 3.616 0 40 CHAB CC(=O)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1 6943498 KZQSEWYOFWBMJG-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB Clc1ccccc1-n1cc(NCc2cscn2)cn1 92569039 HEBKESHWGPPKCY-UHFFFAOYSA-N 290.779 3.594 0 40 CHAB CCCNc1nc(C)c(C(=O)Nc2ccccc2)s1 7844112 AOYHIINOLDYZHJ-UHFFFAOYSA-N 275.377 3.526 0 40 CHAB CCOc1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1 7950982 CRLGOXRSHQRMMJ-UHFFFAOYSA-N 287.359 3.812 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1-c1ccccc1 9499769 OKWGKZSFNMSVHZ-IUODEOHRSA-N 251.329 3.948 0 40 CHAB COc1ccc([C@H](C)NCc2ncc(C(C)C)o2)cc1F 97033037 MBAFPVUSFWHOBQ-NSHDSACASA-N 292.354 3.797 0 40 CHAB Cc1cc(NC[C@@H]2CCO[C@H](C)C2)c2ccccc2n1 95458012 ZFRBPGDWGDAJRV-ZIAGYGMSSA-N 270.376 3.770 0 40 CHAB CC(C)OCc1ccc(CN[C@@H](C)C2CCOCC2)cc1 95420468 XVCMVTILOLZQEL-HNNXBMFYSA-N 291.435 3.516 0 40 CHAB CCC(=O)Nc1nc(-c2ccc(SC)cc2)cs1 9950647 RPQGHHMTYVGWAJ-UHFFFAOYSA-N 278.402 3.881 0 40 CHAB N[C@H](CC(=O)O)c1cccc(Oc2ccc(Cl)cc2)c1 38441638 OXBZNIRABQKQTO-CQSZACIVSA-N 291.734 3.607 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCO3)c(C)c1 32610951 VUKSEWMOIJIUPO-ZDUSSCGKSA-N 297.354 3.523 0 40 CHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1 225619855 NHQOGCIXHLPBCT-KRWDZBQOSA-N 293.407 3.928 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NCC2CCCCC2)c(C)c1 224608732 NVOLPRJDFOCOEW-OAHLLOKOSA-N 289.419 3.767 0 40 CHAB Cc1noc(C)c1NC(=O)c1cccc(C(F)(F)F)c1 84025569 IMCNMEPXCPHKOU-UHFFFAOYSA-N 284.237 3.563 0 40 CHAB Cc1cccc(O[C@@H](Cc2ccccc2Cl)C(=O)O)c1 225055609 MPOFUOYTMGOMJG-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223147459 DXZNXFHLLNWUQP-CQSZACIVSA-N 279.383 3.975 0 40 CHAB CC[C@H](C(=O)O)N(C)c1ccccc1Oc1ccccc1 225006384 PSWBMDJMOIAKLB-CQSZACIVSA-N 285.343 3.778 0 40 CHAB Cc1ccccc1[C@@H](NCc1ccc(CO)o1)C(C)(C)C 80347555 AZAFEYQOGYSXFA-QGZVFWFLSA-N 287.403 3.957 0 40 CHAB O=C(O)c1sc(Cl)cc1OCCOc1ccccc1 96510914 JQZAGSIVMIGPGK-UHFFFAOYSA-N 298.747 3.558 0 40 CHAB CC1(C)CCN(c2c(Cl)cccc2C=O)CC1 232808423 PKISVVXENWAPJL-UHFFFAOYSA-N 251.757 3.779 0 40 CHAB Nc1ccc2cc(-c3ccc4c(c3)CCCC4)c(=O)oc2c1 255187899 HLHIRXHNJWOEKC-UHFFFAOYSA-N 291.350 3.921 0 40 CHAB Fc1cc(-n2ccc3cccnc32)ccc1Br 95915968 KDZJMOPJZBSJHE-UHFFFAOYSA-N 291.123 3.927 0 40 CHAB O=C(NCc1ccco1)Nc1ccc2oc(C3CC3)nc2c1 47954897 GRHYSZWXWNBCFF-UHFFFAOYSA-N 297.314 3.620 0 40 CHAB CCc1ccc(C(=O)OCc2cc(-c3ccccc3)[nH]n2)o1 89286577 GFIDGYPHUJVUGV-UHFFFAOYSA-N 296.326 3.589 0 40 CHAB CC(C)N1C(=O)S/C(=C\c2ccccc2Cl)C1=O 1018398 GQYUXWMWNQYWKY-XFFZJAGNSA-N 281.764 3.785 0 40 CHAB Cc1cc(I)c(C)c(C)c1C 2169216 PSTRAAIJGQNXGR-UHFFFAOYSA-N 260.118 3.525 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)c1ccccc1O)C2 5765756 GAZVSNAEUUUDEK-FABXCBLPSA-N 274.360 3.764 0 40 CHAB CCC1=C(c2ccc(OC)cc2)CC[C@]2(CCNC2=O)[C@@H]1C 5573640 HLOROWSFWSHOTM-YJYMSZOUSA-N 299.414 3.795 0 40 CHAB S=C(Nc1ccccc1)Nc1nc(Cl)cc(Cl)n1 5672615 FXCNCOOUBPPEEF-UHFFFAOYSA-N 299.186 3.592 0 40 CHAB CCCCOC(=O)/C=C\c1ccc(OC(C)C)cc1 17326032 WYZSIODQHOOTRM-FLIBITNWSA-N 262.349 3.830 0 40 CHAB Cc1cccnc1NC(=O)CSc1ccc(Cl)cc1 18231212 HBQOUSJQZNGSHX-UHFFFAOYSA-N 292.791 3.774 0 40 CHAB CC(C)(Cc1ccc(F)cc1)NCc1ccccc1 19795292 XMSVIQAYDXJYIX-UHFFFAOYSA-N 257.352 3.937 0 40 CHAB CSc1nc2ccccc2c(=O)n1C1CCC(C)CC1 1888930502 KYCDQHKWXBPFCK-UHFFFAOYSA-N 288.416 3.870 0 40 CHAB NCC1(c2ccc(Br)cc2)CCCCCC1 20429500 ZKNXLFZOYHMIDG-UHFFFAOYSA-N 282.225 4.000 0 40 CHAB c1ccc2oc(=NCc3ccc4occc4c3)[nH]c2c1 351623961 LBFVTKQFDJJJSG-UHFFFAOYSA-N 264.284 3.608 0 40 CHAB Cc1ccc(Cl)cc1N[C@H]1OC(=O)c2ccccc21 91765 PHIJICDQJGQSRT-AWEZNQCLSA-N 273.719 3.930 0 40 CHAB Cc1cc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Cl 141677 ZXACVKRLOMYMLC-XHDPSFHLSA-N 295.810 3.722 0 40 CHAB CC1CCN(C(=O)Nc2cccc(OC(F)F)c2)CC1 40540537 KWEHXLWIXREMPJ-UHFFFAOYSA-N 284.306 3.552 0 40 CHAB CN(Cc1coc(-c2cccc(F)c2)n1)Cc1ccco1 45735541 VILWQXBSSNCRSR-UHFFFAOYSA-N 286.306 3.706 0 40 CHAB CC[C@H](C)c1ccccc1OC[C@H](C)OC(C)=O 1583910 SVUKCOVWKNYCEL-RYUDHWBXSA-N 250.338 3.531 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)cc1Cl 7653846 YNOIWUHYVHEPTE-QMMMGPOBSA-N 278.566 3.781 0 40 CHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1F 10670437 CAQBPXACIBBYMF-JTQLQIEISA-N 293.725 3.885 0 40 CHAB O=C(/C=C/c1ccccc1Cl)N1CCc2ccccc21 579352 UVGYLKSCKXSMSM-MDZDMXLPSA-N 283.758 3.943 0 40 CHAB C[C@@H](OC(=O)C1CCC1)C(=O)Nc1cccc2ccccc12 22045626 VCSKSXYQGDSOGW-GFCCVEGCSA-N 297.354 3.510 0 40 CHAB O=C([C@H]1CCCS1)N1CC[C@@H]1c1ccc(Cl)cc1 104178948 SKYPESLLOSBCBG-CHWSQXEVSA-N 281.808 3.509 0 40 CHAB Cc1ccc(Oc2ccc(Br)cn2)cc1 42389336 MWUCAUFWNOCPDR-UHFFFAOYSA-N 264.122 3.945 0 40 CHAB Cc1ccc(-c2ncc(C(=O)NC(C)C)s2)c(C)c1 61341496 MVCFUKCDCPZUQG-UHFFFAOYSA-N 274.389 3.565 0 40 CHAB Cc1nc(-c2ccc(Br)cc2)c(N)n1C1CC1 100761354 PYBIAVAZFOKELY-UHFFFAOYSA-N 292.180 3.538 0 40 CHAB C[C@@H](c1ccccc1)N(C)Cc1nc(O)c2sccc2n1 35306334 KVXQGWAVRGHOLJ-NSHDSACASA-N 299.399 3.590 0 40 CHAB Cc1noc(C)c1NC(=O)c1cc2cc(Cl)ccc2o1 58224316 JAPKECACZQUVQX-UHFFFAOYSA-N 290.706 3.943 0 40 CHAB COc1ccc(C)cc1NC(=O)CSC1CCCC1 3399021 WHKJEQHAPXSMBY-UHFFFAOYSA-N 279.405 3.618 0 40 CHAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(F)cc1 37979216 GSLGCYWIMLDQPR-JTQLQIEISA-N 263.337 3.720 0 40 CHAB C[C@@H]1CCc2c(sc3[nH]c(=S)n(C4CC4)c(=O)c23)C1 17023006 KFQACORBQRVXCE-SSDOTTSWSA-N 292.429 3.580 0 40 CHAB CCCN(CCC)C(=O)Nc1ccc(C(=O)OCC)cc1 17022929 YEBKHJNIEOSXEB-UHFFFAOYSA-N 292.379 3.517 0 40 CHAB Cc1ccc(CN(C)CC(=O)Nc2ccc(C)c(C)c2)cc1 6839546 PSHCOPPPTDPUNP-UHFFFAOYSA-N 296.414 3.682 0 40 CHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1 15199010 KHFJOQRDIWQSBQ-CQSZACIVSA-N 287.359 3.793 0 40 CHAB O=C(c1ccco1)N1CCC[C@@H]1c1nc2ccccc2s1 5937144 ONABIHPDVAPQTB-GFCCVEGCSA-N 298.367 3.867 0 40 CHAB CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 97016969 MNIAZBORNDDSKR-GXSJLCMTSA-N 283.828 3.937 0 40 CHAB C[C@H](N[C@H]1c2ccccc2CCC1(C)C)c1nccn1C 97038234 NGZNXLOSGINMSB-BBRMVZONSA-N 283.419 3.784 0 40 CHAB CC[C@@H]1CC[C@H](C)N1c1ccnc(-c2ccccc2)n1 95458745 YSHPGSMYWOZQSF-DZGCQCFKSA-N 267.376 3.911 0 40 CHAB CCCCN1CCC[C@@H]1c1cccnc1Br 72211616 ZHLXFBDEFRXDAR-GFCCVEGCSA-N 283.213 3.781 0 40 CHAB COC(=O)c1cccc(-c2nc[nH]c2-c2cccs2)c1 73633039 QVPUOSJRRHQGRJ-UHFFFAOYSA-N 284.340 3.592 0 40 CHAB CCCNc1ccc([C@H]2CCCCN2CCC)cn1 72213213 QJWLBMOLIOFMST-OAHLLOKOSA-N 261.413 3.841 0 40 CHAB CCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(N)c1 218270729 SQYYCRLTDFYINH-GFCCVEGCSA-N 278.396 3.895 0 40 CHAB Cc1ccc(N[C@@H]2OC(=O)c3c2c2ccccc2n3C)cc1 49543260 KKJARUYNVAIKLJ-QGZVFWFLSA-N 292.338 3.768 0 40 CHAB biogenic Cc1cc(C)c2nc(-c3cc(N)cc(N)c3)sc2c1 73635474 ZHZQRUKQSZXMRH-UHFFFAOYSA-N 269.373 3.745 0 40 CHAB CC(C)c1cc(Br)ccc1OC[C@H]1CCNC1 42770436 NKHGIBJNKQSKPE-NSHDSACASA-N 298.224 3.561 0 40 CHAB CC[C@@H](C)Oc1ccc(NC(=O)[C@](C)(CC)OC)cc1C 225603703 IASDPIYMPUGCLB-DYVFJYSZSA-N 293.407 3.926 0 40 CHAB Cc1cc(C)cc(Nc2ccc(C(=O)NC(C)C)cc2N)c1 225419660 ZXXCYRGPTCLUNE-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB CCCCc1ccc(C(=O)O)n1Cc1ccccc1 226026991 CLBBGDRULYBAMW-UHFFFAOYSA-N 257.333 3.577 0 40 CHAB Cc1nn(C(C)C)cc1NCc1cnn(C2CCCC2)c1 256053517 RTPCMBHSJHVJNE-UHFFFAOYSA-N 287.411 3.696 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1c(F)cccc1OC 89064207 ADLOZSUBKFACKU-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB O=C(COc1ccccc1)c1ccc(F)cc1Cl 575242777 HQQWPUQUUGEEMT-UHFFFAOYSA-N 264.683 3.741 0 40 CHAB CCc1c(C2CC2)[nH]c2c(C(F)(F)F)cccc2c1=O 685938541 NKGWGUPPQDTJDX-UHFFFAOYSA-N 281.277 3.987 0 40 CHAB Cc1ncsc1CN(C)C(=O)Nc1cccc(Cl)c1 66594689 DAYUEYUHGHTTMG-UHFFFAOYSA-N 295.795 3.769 0 40 CHAB c1ccc([C@@H]2COC(c3cccc4cccnc34)=N2)cc1 204955862 GKAXTVNUHSGHTR-INIZCTEOSA-N 274.323 3.753 0 40 CHAB CC[C@@H](CCc1ccccn1)C(=O)c1ccccc1 13161603 YDQDCIMQGIPQGS-AWEZNQCLSA-N 253.345 3.923 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708559 LTHHIEKMUCMSJK-KGLIPLIRSA-N 285.387 3.912 0 40 CHAB CC[C@@H](C)NC(=O)NCc1ccc(Cl)cc1Cl 13746295 KPSNPNRRBUDPLD-MRVPVSSYSA-N 275.179 3.591 0 40 CHAB COc1cc2ccccc2cc1C(=O)N1CCC[C@H](C)C1 16641946 NLMNXOMZGNFICI-ZDUSSCGKSA-N 283.371 3.721 0 40 CHAB Fc1cc(F)cc(CN2CCc3sccc3C2)c1 124272614 URFAOIZYYJMWJX-UHFFFAOYSA-N 265.328 3.585 0 40 CHAB Cc1cccc(NC(=O)[C@@]23CC[C@@H](C2)C(C)(C)C3=O)c1C 352921 XEPJQAGHALCPFL-UGSOOPFHSA-N 285.387 3.637 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(F)cc1 37975992 NCQBQKZCUNVFGL-UHFFFAOYSA-N 283.755 3.813 0 40 CHAB C[C@]1(O)N(c2ccc(Cl)cc2)C(=O)OC12CCCCC2 268436 LEAYJJUVIMJRNA-CQSZACIVSA-N 295.766 3.708 0 40 CHAB O=C(Nc1ccc(Cl)cc1F)NC1CCCC1 40097788 PAYZONKSTGEICW-UHFFFAOYSA-N 256.708 3.543 0 40 CHAB CCOc1cccc(CNC(=O)c2ccccc2Cl)c1 20110826 SFEHWVQZKZHXTD-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB c1csc(CNCCCOC2CCCCC2)c1 20191378 KORFMUXRDRNVNY-UHFFFAOYSA-N 253.411 3.577 0 40 CHAB Cc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1C 15670736 QBQLSMDVZFDIFQ-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CC(C)(C)NC(=O)COc1ccc(-c2ccccc2)cc1 2632098 WIAMUQABQQJTQQ-UHFFFAOYSA-N 283.371 3.647 0 40 CHAB FC(F)Sc1ccc(Nc2nnc(S)s2)cc1 6508067 CCTGGHGFEBPUHB-UHFFFAOYSA-N 291.373 3.885 0 40 CHAB CCCc1n[nH]c(=S)n1NCc1cccc2ccccc12 7601268 ODWJOJDBPONCPA-UHFFFAOYSA-N 298.415 3.790 0 40 CHAB Cc1ccc(NC(=O)COc2ccccc2C)cc1Cl 362624 AWGJLYKYRQNBCK-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CC[C@@H](CNC(=O)c1sc(C)nc1C)c1ccccc1 32722753 PYSVZTHQXFJBDX-ZDUSSCGKSA-N 288.416 3.684 0 40 CHAB O=C(Nc1ccnn1C1CCCCC1)c1ccsc1 32727349 FMGMNIPZBKZKLD-UHFFFAOYSA-N 275.377 3.702 0 40 CHAB Cc1cc2cc(NC(=O)c3ccc4c(c3)CCO4)ccc2[nH]1 32818560 FNCPIRDRVHEVBZ-UHFFFAOYSA-N 292.338 3.664 0 40 CHAB O=C1O[C@@H]([C@@H](O)c2ccc3ccccc3c2)c2ccccc21 481087 YKAHKVAXVDIUDJ-ZWKOTPCHSA-N 290.318 3.785 0 40 CHAB CCCc1cc(C(=O)N2CCC[C@H]2c2ccccc2C)no1 21791030 QWMVHZJJJDJBDO-KRWDZBQOSA-N 298.386 3.913 0 40 CHAB Cc1ccc(-c2cc(-c3ccccc3)nc(N)n2)cc1 21151062 UVRHIZYPYRUDJP-UHFFFAOYSA-N 261.328 3.701 0 40 CHAB Cn1nc(C2CC2)c2c(C(F)F)cc(C(F)F)nc21 2740956 DAPIZTXBUVBPOV-UHFFFAOYSA-N 273.233 3.721 0 40 CHAB Cc1occc1C(=O)Nc1ccccc1Br 2737330 DIHGKXIQASRLDG-UHFFFAOYSA-N 280.121 3.603 0 40 CHAB CC(C)=CC(=O)Nc1ccc(Br)c(C)c1 22928313 OZWWAOICRNOKOC-UHFFFAOYSA-N 268.154 3.662 0 40 CHAB CC[C@H](C)c1ccccc1OCC[C@H]1CCCNC1 42772485 XYFBXOLZRMMDCB-LSDHHAIUSA-N 261.409 3.969 0 40 CHAB C[C@@H](c1cccs1)N(C)C(=O)Cc1c[nH]c2ccccc12 24538411 GFVGZVMIUVAJCA-LBPRGKRZSA-N 298.411 3.992 0 40 CHAB CC(=O)Oc1ccccc1C(=O)c1ccc(OC(C)C)cc1 43209772 UHGVSYCXDYVSAR-UHFFFAOYSA-N 298.338 3.630 0 40 CHAB Cc1ccccc1CC(=O)Nc1cccc(-c2ccn[nH]2)c1 24885490 SYZUUSNIJCVNSD-UHFFFAOYSA-N 291.354 3.566 0 40 CHAB C[C@@H](N)CCc1ccc(OCc2ccccc2)cc1 22169339 FPECOSYBIOUTMG-CQSZACIVSA-N 255.361 3.545 0 40 CHAB O=C1c2cc(Cl)ccc2[C@@H]2OCc3ccccc3N12 35326813 UXTCEVSSWPKKBR-HNNXBMFYSA-N 271.703 3.529 0 40 CHAB Cc1cccc(C(=O)N(C)Cc2nc3ccccc3s2)c1 10286716 RJDZQOOLRZOJKI-UHFFFAOYSA-N 296.395 3.877 0 40 CHAB Cc1ccc(CC(=O)Nc2cccc(-c3cnco3)c2)cc1 48205107 KICSCZLJGLVUMR-UHFFFAOYSA-N 292.338 3.831 0 40 CHAB CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1 48249861 LMEKPDQWEHYURM-WWGRRREGSA-N 259.393 3.718 0 40 CHAB Cc1cc(CSc2nnc(C)n2C2CCCCC2)no1 48364711 CPZVPOMWLPEECE-UHFFFAOYSA-N 292.408 3.680 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@H](C)C1 7787487 PREZGGBBSHVXGJ-GXTWGEPZSA-N 284.403 3.779 0 40 CHAB CCOc1ccc(OCC)c(NC(=O)c2ccoc2C)c1 13005422 ZSANQHQSUWCQFF-UHFFFAOYSA-N 289.331 3.638 0 40 CHAB Cc1ccc(CN2C(=O)[C@H](C)Oc3ccccc32)c(C)c1 4108697 PYSSFSSSSNHWMB-AWEZNQCLSA-N 281.355 3.618 0 40 CHAB Cc1cc(O[C@@H](C)C(=O)NCCC(C)C)cc(C)c1Cl 14396863 MZXGHNRQBUXNEK-ZDUSSCGKSA-N 297.826 3.886 0 40 CHAB Cc1ccc(-c2nnc(SCc3cc(C)on3)o2)cc1 8340080 IKTKZJAGYPMGIH-UHFFFAOYSA-N 287.344 3.634 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2ccc(C)cc2C)s1 7070351 MEWABPDIVQJHIX-UHFFFAOYSA-N 273.357 3.820 0 40 CHAB CO[C@@H]1CCC[C@H](OC(=O)c2cnc(C(C)(C)C)s2)C1 67475816 JFQXJLBLTBKVIC-MNOVXSKESA-N 297.420 3.555 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(OC)cc1F 18119028 KANRWERDDJYDDA-UHFFFAOYSA-N 273.307 3.649 0 40 CHAB Clc1cccc(CN2C3=NCCCN3c3ccccc32)c1 9250000 TYOXWPZCTSTNCC-UHFFFAOYSA-N 297.789 3.926 0 40 CHAB O=C(CCc1cccs1)N[C@H]1CCCc2ccccc21 9585594 ZKOYIDGGSAKCES-INIZCTEOSA-N 285.412 3.875 0 40 CHAB COc1ccc([C@H](N)c2ccccc2Cl)c(C)c1 19972056 YFVMDLXWNUANBF-HNNXBMFYSA-N 261.752 3.705 0 40 CHAB in-vitro Cc1csc(-c2nc(O)c3sc4ccccc4c3n2)n1 97115162 VPMJYMXGPPIPGE-UHFFFAOYSA-N 299.380 3.982 0 40 CHAB COc1ccc([C@@H](NC(C)=O)c2ccccc2Cl)cc1 84752886 JLSLJQWZOGVDPW-MRXNPFEDSA-N 289.762 3.574 0 40 CHAB OC1=N[C@@H](c2nc(-c3ccccc3)cs2)N2CCCC[C@@H]12 78758998 YCOVPTWWRJLCTA-UONOGXRCSA-N 299.399 3.633 0 40 CHAB CS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccccc2F)C1 98019222 ARKFUXISIAKFLU-WDEREUQCSA-N 282.384 3.574 0 40 CHAB O=C(OC1CCCC1)c1csc(-c2ccco2)n1 73957388 KIKDNBWLZPZJOP-UHFFFAOYSA-N 263.318 3.503 0 40 CHAB O=C(Oc1ccc(-c2ccccc2)nn1)c1ccc(F)cc1 408527684 GYOPEURDMZSCOZ-UHFFFAOYSA-N 294.285 3.502 0 40 CHAB COc1cc(F)c(C(=O)C(Cl)(Cl)Cl)cc1F 309474371 UWZLJGMGOYNTER-UHFFFAOYSA-N 289.492 3.526 0 40 CHAB COc1cccc2cc(C(=O)NCc3ccc(F)cc3)oc12 30863147 NYAITFJGPHNVLP-UHFFFAOYSA-N 299.301 3.511 0 40 CHAB Cc1cc(Cl)ncc1[C@@H]1CCCCN1C(C)C 72217860 UXNLOLANLPYEGF-ZDUSSCGKSA-N 252.789 3.979 0 40 CHAB Cc1ccc(C)c(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)c1 225029122 BAJIRMGZTLNLGW-SFHVURJKSA-N 298.382 3.995 0 40 CHAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccccc1Cl 222562728 CCIAGXVRACFVRA-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB O=C(NCc1ccc(-c2ccccn2)cc1)C1CCCC1 82257878 CZXDCNHTRXVSEK-UHFFFAOYSA-N 280.371 3.555 0 40 CHAB CC(=O)c1csc2c(Br)cccc12 88037905 DMSFNMWHSXULIA-UHFFFAOYSA-N 255.136 3.866 0 40 CHAB CC[C@@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 91690090 CFPAZFRBZHGEHZ-LLVKDONJSA-N 261.365 3.900 0 40 CHAB CC[C@H](C)O[C@@H](O[C@H](C)CC)C(=O)c1ccccc1 299803411 OHQSQCACEXDHAJ-YWVIFJGQSA-N 264.365 3.826 0 40 CHAB CC(C)Oc1ccccc1C(=O)COc1ccccc1 130614315 UKDXZHSWLXDYJE-UHFFFAOYSA-N 270.328 3.736 0 40 CHAB Cc1cc(CNCc2cccc(Cl)c2Cl)no1 44412157 BBXWSKVNYJEUAU-UHFFFAOYSA-N 271.147 3.580 0 40 CHAB CC[C@H](NC)c1ccc(OCc2ccccc2)cc1 34822531 ALSAWHMYPQVBMQ-KRWDZBQOSA-N 255.361 3.936 0 40 CHAB O=C(NCc1cc(-c2ccco2)cs1)c1ccoc1 1775968570 RLLJSYVFYQFJKA-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB Cc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 5578310 LWBUXSNLZVXESN-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB Clc1nnc(N2CCCCCC2)c2ccccc12 5776971 NZXAAXGBKABVBB-UHFFFAOYSA-N 261.756 3.664 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccccc1 12769701 BMKFVFKBYWGLFS-OAHLLOKOSA-N 282.387 3.598 0 40 CHAB CC(C)[C@@H](NC(=O)c1ccnn1C(C)C)c1cccs1 13568444 JIIGSNPSQPJPIW-CQSZACIVSA-N 291.420 3.653 0 40 CHAB O=C(C1CCCC1)N1CCS[C@@H](c2cccs2)CC1 219472519 PGXOLXHDEWBMKA-CQSZACIVSA-N 295.473 3.945 0 40 CHAB Nc1ccc2nc(C34CC5CC(CC(C5)C3)C4)oc2c1 20423986 DGIWJYQIWJULIM-UHFFFAOYSA-N 268.360 3.878 0 40 CHAB Cc1ccc(Sc2nccnc2-n2nc(C)cc2C)cc1 1888962021 MVNOSQLPZZFHQP-UHFFFAOYSA-N 296.399 3.739 0 40 CHAB COc1cccc(CSc2nc3ccccc3[nH]2)c1 37868442 LAWRJWNPRQNQIW-UHFFFAOYSA-N 270.357 3.864 0 40 CHAB N#Cc1nc(CNc2ccccc2)oc1Nc1ccccc1 209042 FXNNKGVVLZTPKL-UHFFFAOYSA-N 290.326 3.902 0 40 CHAB C[Si](C)(C)c1ccc(SC(F)(F)F)cc1 216693785 URNNIXPWFFFZEH-UHFFFAOYSA-N 250.361 3.844 0 40 CHAB COC(=O)CCCC(=O)c1cc(Cl)cc(F)c1Cl 575360330 CXADSYJQOKCYQC-UHFFFAOYSA-N 293.121 3.659 0 40 CHAB COc1ccc(C(=O)CC2(CC(=O)O)CCCCC2)cc1 37364738 OSFJADCULOVGMF-UHFFFAOYSA-N 290.359 3.693 0 40 CHAB Cn1cc(-c2ccc3ccccc3n2)c(=O)c2ccccc21 173015 XFINKHUKSVVFEM-UHFFFAOYSA-N 286.334 3.754 0 40 CHAB biogenic Cc1ccc(NC(=O)OC[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 398584 YOOYFLIJNWVWML-HZSPNIEDSA-N 257.333 3.756 0 40 CHAB CCOc1nc(C)ccc1-c1noc(-c2ccccc2C)n1 498697 HNYFJVZFCYKWAO-UHFFFAOYSA-N 295.342 3.814 0 40 CHAB COc1cccc2cc(Cc3ccc(C)cc3)c(=O)oc12 559617 KMPLZCCCSGPCGV-UHFFFAOYSA-N 280.323 3.701 0 40 CHAB CCCCCN(Cc1cc(C)c(C(=O)OC)o1)C(C)C 59350232 FAVQMQBBTOGQEN-UHFFFAOYSA-N 281.396 3.775 0 40 CHAB CCOC(=O)c1ccccc1-c1ccccc1C(=O)OCC 2566811 DAISCGBNAKDWHR-UHFFFAOYSA-N 298.338 3.707 0 40 CHAB COc1ccccc1Nc1nc(SC)ncc1SC 1685269 LLIIBQKAWRAVPJ-UHFFFAOYSA-N 293.417 3.673 0 40 CHAB Cc1ccc2ccccc2c1NC(=O)CN1CCC[C@H](C)C1 4903220 OPROEDYFLGAFMN-AWEZNQCLSA-N 296.414 3.819 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCCCCC1 7912464 XTLPWEHGBYLRBQ-UHFFFAOYSA-N 297.402 3.505 0 40 CHAB CSc1cccc(NC(=O)COc2cccc(C)c2)c1 362756 TYZLBHYEKZQCAR-UHFFFAOYSA-N 287.384 3.734 0 40 CHAB CCCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 387059 DCCWAGFZZOHWDN-UHFFFAOYSA-N 285.372 3.801 0 40 CHAB CC(C)CNC(=O)CC(c1ccccc1)c1ccccc1 363039 KGYIUOGTJJWZCX-UHFFFAOYSA-N 281.399 3.981 0 40 CHAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc(Cl)cc1 100227569 YSTXAYMWXJLSHB-RHSMWYFYSA-N 299.805 3.700 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1ccc2ccccc2n1 2632277 JHCMWHKDVSATCE-UHFFFAOYSA-N 296.757 3.818 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 2627406 FRZQWXISACZDHG-UHFFFAOYSA-N 296.351 3.751 0 40 CHAB Cc1ccccc1-n1cnc2sc3c(c2c1=O)CCCC3 8321487 ZBAVDOJZHFKNPG-UHFFFAOYSA-N 296.395 3.634 0 40 CHAB Cc1ccc(NC(=S)N[C@H]2CCCC[C@H]2C)c(O)c1 10751578 JCMZNVZQFKKSKZ-NEPJUHHUSA-N 278.421 3.566 0 40 CHAB CC(C)(C)C1=Nn2c(nnc2C2CCCCC2)SC1 534082 XJRBAZDZCXFLBD-UHFFFAOYSA-N 278.425 3.682 0 40 CHAB CC(C)[C@H](CNC(=O)c1ccccc1)Nc1ccccc1 41787670 NPVOCHXOVKEFBJ-KRWDZBQOSA-N 282.387 3.553 0 40 CHAB O=C(CCSc1ccccn1)Nc1ccccc1Cl 33609418 BPOFSBHWUGGNQY-UHFFFAOYSA-N 292.791 3.856 0 40 CHAB CCn1cc(CNc2cccnc2)c2ccccc21 1414832 HDVXLDFIJVAGFR-UHFFFAOYSA-N 251.333 3.668 0 40 CHAB Fc1cccc(Cl)c1-c1nc(-c2ccncc2)no1 1400950 QYGZIEIATOGROC-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB CC(C)CNC(=O)c1cc2occc2n1Cc1ccccc1 35474935 OQMXNGAVTISBJD-UHFFFAOYSA-N 296.370 3.668 0 40 CHAB CCOCCC(=O)Nc1ccccc1SC(C)C 89986749 VZEDNKTUNXTTPW-UHFFFAOYSA-N 267.394 3.552 0 40 CHAB C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)C1CC1 10219692 QGEDTSQUBFRLEJ-SNVBAGLBSA-N 293.457 3.694 0 40 CHAB CNc1nc(-c2c(C)[nH]c3ccccc23)c(C)s1 2327668 PCRSFILXHMZKQJ-UHFFFAOYSA-N 257.362 3.950 0 40 CHAB CC(C)c1nnc(NC(=O)c2cc(Cl)ccc2F)s1 12781977 MJIMLFBTMAXNKS-UHFFFAOYSA-N 299.758 3.706 0 40 CHAB Cc1cc(CSc2nc3ccccc3nc2C)no1 12907063 PEUAYUWQDAIVFJ-UHFFFAOYSA-N 271.345 3.527 0 40 CHAB CCCC(=O)n1nc2c3c(cccc31)C(=O)c1ccccc1-2 3646890 IARUFVQWSVBSDC-UHFFFAOYSA-N 290.322 3.688 0 40 CHAB C[C@@H](NCc1ccnc(OCC2CC2)c1)c1ccsc1 178040734 MNBGITLPMFUUCE-GFCCVEGCSA-N 288.416 3.783 0 40 CHAB CC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C 14257944 ICBBJOXVNLUUJG-UHFFFAOYSA-N 266.300 3.762 0 40 CHAB COc1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 65828265 UWYRIIZXBNFASE-LBPRGKRZSA-N 285.343 3.654 0 40 CHAB Nc1ccc(OCc2ccccc2)c(C(F)(F)F)c1 14630182 UULCQZNHBGUYCE-UHFFFAOYSA-N 267.250 3.867 0 40 CHAB CC(=O)c1c(C)[nH]c(-c2csc(NC3CC3)n2)c1C 7274431 YQYAIGNEQKFJQN-UHFFFAOYSA-N 275.377 3.532 0 40 CHAB Cc1ccc([C@H](C)NC[C@H](C)c2c(C)noc2C)o1 90727908 QOPZJJRSBOSIGO-ONGXEEELSA-N 262.353 3.647 0 40 CHAB COc1ccc(CC(=O)Nc2cccc(C)c2C)cc1F 7918183 ATFGYPHCYMZPGQ-UHFFFAOYSA-N 287.334 3.632 0 40 CHAB Cc1nc(CNc2cccc(OC(F)F)c2C)cs1 84041473 ZXNKBRQUOJDDJX-UHFFFAOYSA-N 284.331 3.973 0 40 CHAB CC(C)[C@@H]1CC(O)=Nc2c1cnn2Cc1cccs1 72404461 CIWGGNKCBFWZOI-NSHDSACASA-N 275.377 3.724 0 40 CHAB FC(F)(F)CCN(Cc1cccnc1)C1CCCC1 84425047 JDXLDFDRZOOJNF-UHFFFAOYSA-N 272.314 3.779 0 40 CHAB CSc1c(Cl)cccc1NCc1ncc(C)o1 95966870 MPHXLARRIRKSAH-UHFFFAOYSA-N 268.769 3.970 0 40 CHAB Nc1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1 20134515 QWRMATOIKLTAME-UHFFFAOYSA-N 271.703 3.696 0 40 CHAB CC(C)[C@@H]1CC[C@H](C)[C@@H](COC(=O)c2ccccc2)C1=O 3845728 VFYMSGHHSKKLOQ-CWRNSKLLSA-N 288.387 3.731 0 40 CHAB biogenic COC(=O)[C@@H]1Cc2c(n(-c3ccccc3)c3ccccc23)C1 217911723 PNBDUNVBTSNHBI-CYBMUJFWSA-N 291.350 3.518 0 40 CHAB Brc1cnc(Nc2ccccc2)s1 39212468 GZYZRVABKWWEMZ-UHFFFAOYSA-N 255.140 3.649 0 40 CHAB CC(C)CNC(=O)N[C@H](c1ccccc1)c1cccs1 32909393 VEGMARMVLDGWSL-OAHLLOKOSA-N 288.416 3.793 0 40 CHAB c1ccc2sc([C@H]3CCN(C4CCC4)C3)nc2c1 49168921 YPXJPEMHTLLPIE-NSHDSACASA-N 258.390 3.638 0 40 CHAB biogenic,in-vitro CC(C)c1ccc(COCCC2CCNCC2)cc1 48895422 HWPHKXQSEMSDMW-UHFFFAOYSA-N 261.409 3.716 0 40 CHAB CCOC(=O)[C@@H](CCN(C(C)C)C(C)C)c1ccccc1 80124917 WKVJVVGZQUOUOY-KRWDZBQOSA-N 291.435 3.842 0 40 CHAB CCCS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 45929324 ASGKZAWHLMXGDQ-UHFFFAOYSA-N 275.373 3.505 0 40 CHAB COc1ccc(C(=O)CCc2cccc(C)c2)cc1OC 228699461 XOYHTQJYIZSYQJ-UHFFFAOYSA-N 284.355 3.828 0 40 CHAB O=C(O)c1ccc(Cc2ccccc2)n1Cc1ccccc1 226027939 QPAPOJDBHHILQI-UHFFFAOYSA-N 291.350 3.825 0 40 CHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC=CCC1 40107200 TZPPOPQRFGVSCL-GXTWGEPZSA-N 277.795 3.744 0 40 CHAB CCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1 225627700 VDPGVULFXPYPKD-UHFFFAOYSA-N 291.391 3.763 0 40 CHAB CC[C@H](C(=O)O)N(C)c1ccc(Oc2ccccc2)cc1 224999447 WHGWMIIKGFHQNO-MRXNPFEDSA-N 285.343 3.778 0 40 CHAB Nc1ncc(-c2ccnc(C3(C(F)(F)F)CCC3)c2)s1 95629741 JHTZJYOSNXHTBE-UHFFFAOYSA-N 299.321 3.771 0 40 CHAB CC(C)N(Cc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C 685937111 JGWYCTWYWPTOAK-UHFFFAOYSA-N 293.363 3.530 0 40 CHAB NCc1sc(-c2ccccc2)nc1-c1ccccc1 12370271 LPMITTCQAVWCLV-UHFFFAOYSA-N 266.369 3.936 0 40 CHAB Cc1nc(Nc2ccc(F)c(F)c2)cc(C(F)F)n1 1888879350 ASATWUNJYWAYQK-UHFFFAOYSA-N 271.217 3.744 0 40 CHAB CCC(=O)c1ccc2cccc3nc(CC)[nH]c1c23 5686839 XXSLNVUBFLPXLA-UHFFFAOYSA-N 252.317 3.871 0 40 CHAB C[C@](Cc1ccccc1)(C(=O)O)c1ccc(Cl)cc1 11732619 PMJKCHLLQFYGJA-MRXNPFEDSA-N 274.747 3.925 0 40 CHAB CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 12601036 BKFBGAGULYVCCT-MRXNPFEDSA-N 293.370 3.834 0 40 CHAB CCCCOc1c(C)cc(Br)cc1C(=O)O 165608286 ACBXTAMTUNREMA-UHFFFAOYSA-N 287.153 3.635 0 40 CHAB O=C(CSCc1ccccc1)NC1CCC(F)(F)CC1 407947289 VPHBLCMSLIJPCV-UHFFFAOYSA-N 299.386 3.614 0 40 CHAB CCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ncn1 1888864466 YKUXTYUIRRJOJU-UHFFFAOYSA-N 296.157 3.598 0 40 CHAB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 12284622 COBHCYTXHPGGSR-KRWDZBQOSA-N 294.398 3.537 0 40 CHAB COc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 19908952 NHIUKCJAMTZFSC-BLLLJJGKSA-N 271.360 3.701 0 40 CHAB COc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2)c1 34992846 SPUNLYUKDJRHCU-NSHDSACASA-N 277.314 3.824 0 40 CHAB S=c1nc(NCCc2ccccc2)c2ccccc2[nH]1 425508 PXWFVFGEFNHDJJ-UHFFFAOYSA-N 281.384 3.947 0 40 CHAB O=C(/C=C/c1ccco1)NCc1cc(-c2ccco2)cs1 1775968407 GAZXCDFMIZQXIK-AATRIKPKSA-N 299.351 3.931 0 40 CHAB O=C(NCc1cncc(-c2ccoc2)c1)Nc1cccs1 575620835 QYRUOEQAPWZKSI-UHFFFAOYSA-N 299.355 3.725 0 40 CHAB Cc1ccsc1C(=O)N(C)[C@@H](C)c1cccs1 40013178 BLUVJYPQLOLDTN-JTQLQIEISA-N 265.403 3.951 0 40 CHAB CSc1ccc(CN(C)C(=O)c2cc(C)oc2C)cc1 40159577 QDNSFJATMSTITE-UHFFFAOYSA-N 289.400 3.891 0 40 CHAB CC1CCC(NC(=O)CCCc2cccs2)CC1 40161106 OQOYPLPGKVWRFI-UHFFFAOYSA-N 265.422 3.766 0 40 CHAB O=C(Oc1cccc2cccnc12)C1CCCCC1 53385 NENSQQAUNIJALC-UHFFFAOYSA-N 255.317 3.721 0 40 CHAB O=Cc1cn(-c2ccc(F)cc2)nc1-c1cccs1 31773264 XPXQOGXFHLZYGP-UHFFFAOYSA-N 272.304 3.552 0 40 CHAB CCOc1ccc(NC(=S)Nc2cccc(O)c2)cc1 17022104 JRSPTYUUAIEURJ-UHFFFAOYSA-N 288.372 3.600 0 40 CHAB Cc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)o1 386093 AHQFJZFOYWSVCN-UHFFFAOYSA-N 290.388 3.752 0 40 CHAB C[n+]1c(-c2ccccc2)cn2c3ccccc3ccc21 387321 KOPJKQCGVVHEQM-UHFFFAOYSA-N 259.332 3.584 0 40 CHAB COc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 2651108 HANTZNQMLILYQX-UHFFFAOYSA-N 295.260 3.966 0 40 CHAB CCOc1ccc(NC(=O)c2sccc2C)cc1 9501829 UMGVOMPHEJQJOP-UHFFFAOYSA-N 261.346 3.708 0 40 CHAB O=C(N[C@@H](c1nccs1)C1CC1)c1cccc2[nH]ccc12 89774343 MKFXZORGJDZDMX-CQSZACIVSA-N 297.383 3.506 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c(C)c1 59351598 AGTDDKNOJBFIPJ-JKSUJKDBSA-N 297.398 3.948 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC=CCC1 52988376 WMPQSAXTDBEOKI-RYUDHWBXSA-N 261.390 3.550 0 40 CHAB CC(=O)OC[C@]12COC[C@H](C3=CCCC(C)(C)[C@H]3C1)[C@H]2C 517228 AOWHBUFUMSNEAB-BLBBIFAFSA-N 292.419 3.585 0 40 CHAB biogenic Cc1cc(C(=O)N[C@@H](C)c2cccc3ccccc23)on1 23079876 MDQPOESLKHWTNW-LBPRGKRZSA-N 280.327 3.627 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 1171367 CKSFZMXQPUJPIO-SLBVQIDZSA-N 289.444 3.613 0 40 CHAB c1ccc2oc(SCc3cn4ccsc4n3)nc2c1 12523630 YZVOIXPRROXYKO-UHFFFAOYSA-N 287.369 3.829 0 40 CHAB Cc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 12547209 GDUXMQXBXYNGLS-UHFFFAOYSA-N 283.400 3.736 0 40 CHAB C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCCC1 58017914 LAQSESNANADXLH-XJKSGUPXSA-N 289.444 3.808 0 40 CHAB O=C(Nc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 10260521 GFECFRRAMZYJKU-UHFFFAOYSA-N 291.354 3.758 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1ccc(-c2cnco2)cc1 58378045 PLADNZGIJBTHAD-OAHLLOKOSA-N 284.359 3.746 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)COc1cccc2ccccc12 3386280 JNLQFKLCNNXMJB-WMLDXEAASA-N 297.398 3.914 0 40 CHAB CCC[C@@H](C)N(C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 48370340 AKAJZQCRTZXXKY-GFCCVEGCSA-N 291.395 3.606 0 40 CHAB Cc1cc(C)cc(C(=O)N[C@H](C)c2ccc(F)cc2)c1 3614554 JIYUKRNAJPKCNM-CYBMUJFWSA-N 271.335 3.934 0 40 CHAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 3894904 XTUIDRJNCMLRAD-UHFFFAOYSA-N 269.388 3.633 0 40 CHAB Cc1ccc(C)c(C(=O)CSc2nc(C(C)C)n[nH]2)c1 6498421 JRHMYNIGSHCHMJ-UHFFFAOYSA-N 289.404 3.520 0 40 CHAB Nc1ccc(OCCCc2ccccc2)c(Cl)c1 14630005 UXSWLXJYPOVQEL-UHFFFAOYSA-N 261.752 3.934 0 40 CHAB Cc1cc(C(=O)Nc2ccc3oc(C)nc3c2)c(C)o1 15537578 MBUFNSMYXQUMHR-UHFFFAOYSA-N 270.288 3.598 0 40 CHAB O=C(Cc1cccc2ccccc12)NCCc1cccs1 7798284 UPQBPRDTXUNEMN-UHFFFAOYSA-N 295.407 3.803 0 40 CHAB Cc1nc(-c2ccccc2)sc1CSc1ncn[nH]1 69349309 MLUBGEILMSLOQW-UHFFFAOYSA-N 288.401 3.529 0 40 CHAB O=C(Nc1nnc(C2CC2)s1)c1sccc1C1CC1 60476761 GJGUESLSXOYTSO-UHFFFAOYSA-N 291.401 3.607 0 40 CHAB CC(C)[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCC1 79494651 SVROANMTKHMAIA-GFCCVEGCSA-N 295.408 3.736 0 40 CHAB c1ccc(-c2ccnc3nc(-c4cccs4)nn23)cc1 72451425 OGPHYPLHJYFHEQ-UHFFFAOYSA-N 278.340 3.520 0 40 CHAB CCOc1cccc(C(=O)Nc2c(C)cc(C)cc2N)c1 70462855 AVNFKLUOFQLLJI-UHFFFAOYSA-N 284.359 3.537 0 40 CHAB FC(F)(F)c1cccc(-c2c[nH]nc2[C@H]2CCCN2)c1 72379961 QBSDTTBSPJPACQ-GFCCVEGCSA-N 281.281 3.520 0 40 CHAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 214052298 ZUQNGGDSQVEBBY-NTEUORMPSA-N 299.351 3.825 0 40 CHAB O=C(Cc1cccs1)Nc1ccc2sncc2c1 188224678 FQTSGCWGNMAPPZ-UHFFFAOYSA-N 274.370 3.539 0 40 CHAB COc1ccc(Oc2ccc(N)cc2Br)cc1 43597600 MPTHGESNFYISSR-UHFFFAOYSA-N 294.148 3.832 0 40 CHAB Cc1nnc(C(F)(F)Sc2ccc(Cl)cc2)o1 85397080 PSAOIRDXZYYJMM-UHFFFAOYSA-N 276.695 3.873 0 40 CHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C(C)C 225216920 GEIBTSOAXYNINH-RISCZKNCSA-N 283.799 3.658 0 40 CHAB CC(C)[C@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 225211226 ZKHITRSMXPUVRD-UONOGXRCSA-N 285.387 3.768 0 40 CHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OC)c2ccccc12 225791776 LUMVPGRKCGRFAV-QGZVFWFLSA-N 287.359 3.602 0 40 CHAB CCN(Cc1ccccc1)C(=O)c1cc(C)ccc1C 223649360 XBIAHSCYYQQZDL-UHFFFAOYSA-N 267.372 3.966 0 40 CHAB Cc1cccc(C(=O)c2ccc(C(F)(F)F)cc2)n1 45028468 LIIRVJIZCHBPIJ-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1ccc2c(c1)c(C=O)cn2C(=O)OCc1ccccc1 199813428 XTHZCVVCILHKOP-UHFFFAOYSA-N 293.322 3.947 0 40 CHAB CCCCCOc1ccc(C(=O)c2cccc(OC)n2)cc1 45028751 KAJSMOROTKUIHQ-UHFFFAOYSA-N 299.370 3.890 0 40 CHAB Cc1ccc(/C=C/c2nc3ccc(N)cc3o2)cc1 226249835 LETZDNGLSRZGQA-RMKNXTFCSA-N 250.301 3.889 0 40 CHAB C[C@H](Cc1ccc(Cl)cc1Cl)NC1CCOCC1 96476912 IYVDKSXCLRTKBS-SNVBAGLBSA-N 288.218 3.693 0 40 CHAB CC/C=C\COCc1ccccc1Br 95725444 VBWISDYFLMSNJM-UTCJRWHESA-N 255.155 3.932 0 40 CHAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(Cl)c1 254790955 GYHDHQRBABUUEI-SRVKXCTJSA-N 278.783 3.898 0 40 CHAB CCc1c(C)sc(SC)[n+]1-c1ccccc1 255189231 OOIDDWMYLFBYSQ-UHFFFAOYSA-N 250.412 3.618 0 40 CHAB CN(c1ccc(Br)c(F)c1)c1ccccn1 95915938 APIQZUFUECXPGH-UHFFFAOYSA-N 281.128 3.751 0 40 CHAB Cc1ccccc1-c1noc(-c2c(N)sc(C)c2C)n1 101284400 PCJBZKOGTGCBER-UHFFFAOYSA-N 285.372 3.973 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(F)c(Cl)c1 5616703 PTSGXPUQBJHPLU-IINYFYTJSA-N 299.773 3.553 0 40 CHAB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 12404016 MUMGGOZAMZWBJJ-KSCVBYKOSA-N 288.431 3.879 0 40 CHAB CCCC(=O)Oc1cc2sc(=O)oc2c2ccccc12 16637243 CZMZFGQLHWMAKO-UHFFFAOYSA-N 288.324 3.713 0 40 CHAB CC(C)CNC(=O)/C=C/c1c(Cl)cccc1Cl 2738374 AMMLNHNPROCXQL-VOTSOKGWSA-N 272.175 3.779 0 40 CHAB C(=C/c1ccccc1)\CN1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888856851 MNTCDVAPZDUNDV-AEEZDXSHSA-N 293.414 3.764 0 40 CHAB Cc1ccccc1NC(=O)NCC1(c2ccsc2)CC1 1888930308 UTPIPYQAPQGKOJ-UHFFFAOYSA-N 286.400 3.910 0 40 CHAB c1ccc([C@H](CNCc2ccsc2)N2CCCC2)cc1 20096474 YZWYXQPSHLRYFH-KRWDZBQOSA-N 286.444 3.675 0 40 CHAB O=C(OCc1ccc(Cl)cc1)c1ccc(F)cc1 32124774 ZBRFOSKSJFHKDC-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1ncnc2ccc(F)cc12 1775995632 CFNBJEJZCNLYCG-OKILXGFUSA-N 283.350 3.846 0 40 CHAB Cc1cc(Cl)c(Cl)c(N)c1N1CCCCC1 22121984 BFGRSVBCTIOMGL-UHFFFAOYSA-N 259.180 3.874 0 40 CHAB Fc1cccc(F)c1CNc1ccc(-c2cc[nH]n2)cc1 37104662 ZITMGAFTSHDSHV-UHFFFAOYSA-N 285.297 3.967 0 40 CHAB O=C(/C=C/c1cccs1)Nc1ccc(-c2cc[nH]n2)cc1 38716991 IKKVOXVJKDHLHE-BQYQJAHWSA-N 295.367 3.790 0 40 CHAB C[C@@]12CC[C@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 119370 FMGSKLZLMKYGDP-ZFSNVMTLSA-N 288.431 3.879 0 40 CHAB Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1 383529 IVXYPCYMLPLHTE-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1C 3757843 VOVLNCUGRVYZMM-UHFFFAOYSA-N 293.322 3.917 0 40 CHAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@H](O)C[C@]3(C)CC[C@@H]21 4900139 SLNMIOMHGWEGBR-CTXVOCDESA-N 286.415 3.912 0 40 CHAB C[C@@H]1CCCCN1c1ncnc2sc3c(c12)CCC3 383001 ODPGSUGWYJHEIW-SNVBAGLBSA-N 273.405 3.559 0 40 CHAB CN1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 387621 OKFGPCBKOCVTRJ-HNNXBMFYSA-N 270.763 3.773 0 40 CHAB CCCn1c(NC(=O)CC(C)(C)C)nc2ccccc21 7796434 UWNCUVRSLFYFLM-UHFFFAOYSA-N 273.380 3.821 0 40 CHAB Cc1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(C)s1 32739380 AHEAHXWUQLXIKT-SNVBAGLBSA-N 299.399 3.732 0 40 CHAB Cc1nc(CN2CCc3ccc(F)cc3[C@@H]2C)oc1C 71909018 HIFMUUDGAGLYRZ-NSHDSACASA-N 274.339 3.550 0 40 CHAB O=C(OCc1cccc(Cl)c1)c1cc(Cl)c[nH]1 21998921 DBYCDWFYCPRNAU-UHFFFAOYSA-N 270.115 3.679 0 40 CHAB COc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1C 59408986 NBOFDHJUYGHDDE-MRXNPFEDSA-N 284.384 3.700 0 40 CHAB CN(C)c1ccc(C(=O)[C@@H]2N=NC[C@H]2c2ccccc2)cc1 104256691 CQWMJXRESLIOML-DLBZAZTESA-N 293.370 3.554 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1ccc2c3c(cccc13)CC2 59843216 AAASWXLGHGCCEE-CYBMUJFWSA-N 279.383 3.953 0 40 CHAB O=c1[nH]c(-c2ccccc2)nc2sc3c(c12)CCCCC3 16493394 KBHXDARXJGVERJ-UHFFFAOYSA-N 296.395 3.921 0 40 CHAB CN(C(=O)c1ccc(F)cc1)[C@H]1CCCc2ccccc21 23151729 RUZFNZOQGWQXDW-KRWDZBQOSA-N 283.346 3.975 0 40 CHAB C[C@H](NC(=O)[C@H](C)c1ccccc1)c1ccccc1 34245300 ZWNCJNODOVPNTF-KGLIPLIRSA-N 253.345 3.668 0 40 CHAB CCCCC[C@@H](C)NC(=O)Nc1ccc(OC)cc1 24689072 IIJXHSYGICDMEW-GFCCVEGCSA-N 264.369 3.786 0 40 CHAB COc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 24836496 WRADLWAVFOHLKK-KRWDZBQOSA-N 281.355 3.754 0 40 CHAB Cc1ccc(CN(C)C(=O)COc2cc(C)cc(C)c2)cc1 20039647 KPZVOUKMFHYUQV-UHFFFAOYSA-N 297.398 3.649 0 40 CHAB O=C(Nc1ccnn1C1CCCC1)c1cc2ccccc2[nH]1 57767603 ORTSRUHGPWJNDD-UHFFFAOYSA-N 294.358 3.732 0 40 CHAB CCc1nc(NC(=O)Cc2ccc(Cl)cc2)sc1C 44701817 ORBBUKYSZRPPCG-UHFFFAOYSA-N 294.807 3.849 0 40 CHAB CCCSc1nc(N)c2c3c(sc2n1)CC[C@@H](C)C3 2351074 CXLCXEGXZVGHSW-MRVPVSSYSA-N 293.461 3.900 0 40 CHAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2N 118930989 OMKYOYBEVIPBMI-XCBYOTJYSA-N 291.479 3.717 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)Cc1cccc(F)c1 3427731 CAMDRADUIFCCPQ-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)C1CCCC1 12932213 ZEAHJPHBFHCVMR-UHFFFAOYSA-N 298.386 3.594 0 40 CHAB Nc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1 39643323 WJDPHVJEFVAKMT-UHFFFAOYSA-N 265.234 3.519 0 40 CHAB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CO 14140852 ZHVDAFNDCZYUTN-UHFFFAOYSA-N 298.317 3.604 0 40 CHAB CC(C)c1ccccc1NC(=O)NC[C@H](O)c1ccccc1 65606966 ZILDFOYNZUHHDH-KRWDZBQOSA-N 298.386 3.665 0 40 CHAB Cc1cc2ccccc2n1CC(=O)Nc1ccccc1 4687662 LUUMAVHOWZQEHZ-UHFFFAOYSA-N 264.328 3.588 0 40 CHAB Cc1ccc(SCc2cc(=O)n3c(C)cccc3n2)cc1 18269512 OPWBQAOLWNZDRT-UHFFFAOYSA-N 296.395 3.604 0 40 CHAB CCCCC(=O)N1CCC(c2nc3ccccc3o2)CC1 15832075 UUFBLAJMLVKMAL-UHFFFAOYSA-N 286.375 3.724 0 40 CHAB COc1cccc(CNC(=S)c2ccc(Cl)cc2)c1 408574826 MXJXFAQPHBFRAW-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB CCCn1c(NC(=O)c2ccoc2C)nc2ccccc21 9467139 NUGACSRBLGEERI-UHFFFAOYSA-N 283.331 3.600 0 40 CHAB Cc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(Cl)nc2)s1 78494569 RRRPTAKQUANTLD-WDEREUQCSA-N 292.791 3.847 0 40 CHAB Cc1c(NC(=O)c2ccncc2F)cccc1C(F)(F)F 97015191 LWFMSWIWULXLRY-UHFFFAOYSA-N 298.239 3.800 0 40 CHAB CCSCCC(=O)O[C@H](C)c1sc(CC)nc1C 89289888 PAYFRKRTPIBLLH-SNVBAGLBSA-N 287.450 3.761 0 40 CHAB CCOc1c(Cl)cc(/C=C/[N+](=O)[O-])cc1Cl 409371292 HCYZERFXYCEIIZ-ONEGZZNKSA-N 262.092 3.640 0 40 CHAB Cc1nc(Nc2ccc(F)c(Cl)c2)sc1C(=O)O 20156546 WVFABLYFMLDSGF-UHFFFAOYSA-N 286.715 3.686 0 40 CHAB Cc1ccc(-c2csc(Nc3ncccn3)n2)cc1 67192470 UQVVXJNEXGBOIO-UHFFFAOYSA-N 268.345 3.652 0 40 CHAB CCCCN(C[C@@H]1CCCN(C)C1)c1ccccc1 408732816 ZPMQESNNSUUNBC-MRXNPFEDSA-N 260.425 3.635 0 40 CHAB CCOc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72211836 QMHKPEWBKVQZRX-ZDUSSCGKSA-N 292.379 3.552 0 40 CHAB CC(C)n1nccc1NC(=O)[C@H](C)SC1CCCCC1 71846654 ZOTXSJCKCNUCSU-LBPRGKRZSA-N 295.452 3.857 0 40 CHAB Cc1nc(Cl)c(Cl)n1Cc1ccc(Cl)nc1 49538527 UOYCIQMEPZLFQS-UHFFFAOYSA-N 276.554 3.595 0 40 CHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 223431907 HNWFJKQZDQAOLQ-MRXNPFEDSA-N 297.398 3.809 0 40 CHAB C[C@@H](C(=O)N1CCCC[C@H]1C)n1cc(-c2ccccc2)cn1 227165692 RFPUTBXUTQVZHD-CABCVRRESA-N 297.402 3.512 0 40 CHAB CC(C)OC1CCN(c2ccnc3ccsc23)CC1 98013783 BAZPGBOERIPCGZ-UHFFFAOYSA-N 276.405 3.690 0 40 CHAB CCOc1c(C)cc(CNC(=O)OC(C)(C)C)cc1C 95095328 OYUXLMBUMYQXEI-UHFFFAOYSA-N 279.380 3.727 0 40 CHAB O=C(OCc1cccc(F)c1)c1cccc(Cl)c1 255935185 VYIZHAHYEYAHCG-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB C[C@@H](c1cccc(Cl)c1)N(C)CCCn1ccnc1 84656005 ZLOXYIJCGSLCRJ-ZDUSSCGKSA-N 277.799 3.620 0 40 CHAB COC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(O)cc12 226759019 RQMPIVZHCXNQSK-UHFFFAOYSA-N 295.338 3.740 0 40 CHAB CCCNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1 3099671 BSPRCSZWHCSQRT-UHFFFAOYSA-N 298.177 3.744 0 40 CHAB O[C@H](c1cc(Br)ccc1Cl)C(F)(F)F 236566803 QPDLSISMBOXVQA-SSDOTTSWSA-N 289.478 3.698 0 40 CHAB COc1ccc(C)cc1NC(=S)Nc1ccccc1 5798783 MEPPZUNXLDNPEL-UHFFFAOYSA-N 272.373 3.813 0 40 CHAB COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1Cl 5463823 SGPCFZAXPIAAIN-UHFFFAOYSA-N 293.725 3.669 0 40 CHAB Cc1cc(C)c2c(c1)N[P@](=O)(c1ccccc1)N2 17013192 QWMDIBRGQGPOAA-GOSISDBHSA-N 258.261 3.659 0 40 CHAB Cc1ccc2oc(C(=O)NC3CCCCCC3)cc2n1 8793780 WMFMDGSJQROXJT-UHFFFAOYSA-N 272.348 3.589 0 40 CHAB COc1ccc(NC(=O)c2cccs2)cc1OC(F)F 23874094 LKRYKZHWVVUKRL-UHFFFAOYSA-N 299.298 3.610 0 40 CHAB Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)cccc1C 25472890 RMRYXMXCKUHRMR-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccsc1 32907737 RMZCXHBUYPNQGW-VHSXEESVSA-N 277.311 3.599 0 40 CHAB C[C@@H](c1ccccc1)n1cc[n+]([C@@H](C)c2ccccc2)c1 38885157 OBAKTJZAWXTTHH-IRXDYDNUSA-N 277.391 3.994 0 40 CHAB Cc1cc(C)c2sc(NC(=O)C3CCCCC3)nc2n1 11666317 KEJXWQVYELYAFB-UHFFFAOYSA-N 289.404 3.827 0 40 CHAB COc1ccc(OC)c(NC(=O)/C=C/[C@H]2CC=CCC2)c1 26841247 KWWXJHDCXXOLQH-YKWSONSWSA-N 287.359 3.555 0 40 CHAB Cc1cc(N2CCC(c3ncc[nH]3)CC2)c2ccccc2n1 72457866 AMOUTWQRSOKAHV-UHFFFAOYSA-N 292.386 3.650 0 40 CHAB BrC12C[C@H]3C[C@H](C1)CC(N1CCCC1)(C3)C2 100151866 CIVARSFDXZMBQT-IWMBGFJWSA-N 284.241 3.569 0 40 CHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(F)cc1F 514123 XYJPHLFFSRFWCA-UHFFFAOYSA-N 297.688 3.636 0 40 CHAB O=C(c1ccc(CN2CC=CC2)cc1)c1cccc(Cl)c1 2514895 LOVNXPOTAFTIQM-UHFFFAOYSA-N 297.785 3.943 0 40 CHAB O=C1N(C2CCCCC2)C(=O)N1C1CCCCC1 1652611 NUQKAOMFMVTQIT-UHFFFAOYSA-N 250.342 3.509 0 40 CHAB CC[C@]1(c2ccccc2)CNC(=S)c2ccccc21 4214482 CTCYPMQAPSGBTQ-QGZVFWFLSA-N 267.397 3.661 0 40 CHAB in-man CCn1c2ccccc2c2cc(CNC(C)(C)CO)ccc21 6871166 KKILSBVMCXKTFJ-UHFFFAOYSA-N 296.414 3.675 0 40 CHAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885929 ASMHTZXLINXPBW-KRWDZBQOSA-N 278.355 3.724 0 40 CHAB CC(C)CC[C@@H](C)NC(=O)CCc1ccsc1 32722028 KTVMIVCEGUVHBI-GFCCVEGCSA-N 253.411 3.622 0 40 CHAB CC(C)c1ccc(NCc2ccc(C(=O)O)o2)cc1 8702193 HCUZBZPLYXJHMH-UHFFFAOYSA-N 259.305 3.713 0 40 CHAB CCn1c(NC(=O)c2cc(C)oc2C)nc2ccccc21 10651636 FEKLKBZAPSSXSW-UHFFFAOYSA-N 283.331 3.518 0 40 CHAB CN(Cc1ccco1)Cc1ncc(-c2ccccc2)o1 41392419 SPLOFOAIIXACGG-UHFFFAOYSA-N 268.316 3.567 0 40 CHAB Nc1cccc(Cl)c1NC(=O)c1ccc(Cl)cc1 50352329 HBEXNGVIYWRVEG-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB COc1ccc(Cl)cc1N1C=CC(C)(C)N=C1S 54957152 GMAMXFKPHFYCRS-UHFFFAOYSA-N 282.796 3.747 0 40 CHAB Cc1cccc(NC(=O)c2ccccc2SC(F)F)n1 24924843 OGVJLWUKGSLAAL-UHFFFAOYSA-N 294.326 3.957 0 40 CHAB Cc1ccc(O)c(C(=O)Nc2cnc3ccccc3c2)c1 12744699 PCNSUKWFWFLYSU-UHFFFAOYSA-N 278.311 3.501 0 40 CHAB CN(C)c1ncnc2scc(-c3ccc(F)cc3)c12 8147650 WBYVYUOWVWXBNT-UHFFFAOYSA-N 273.336 3.563 0 40 CHAB CC(=O)c1cccc(Oc2nc3ccccc3o2)c1 48272919 DTCWOWDTYOOUAU-UHFFFAOYSA-N 253.257 3.823 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3cccs3)cc2)co1 12948789 BJJQIBAQGGRXHA-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB CC[C@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 13006874 PYUDOEVVEWOBDX-NSHDSACASA-N 276.380 3.656 0 40 CHAB O=C(CC(F)(F)F)N1CCCC[C@@H]1Cc1ccccc1 69492777 OLTNYKHXRCIORG-CYBMUJFWSA-N 285.309 3.563 0 40 CHAB O=C(NCCCn1ccc2ccccc21)C1CCCCC1 8724725 YJNOQTPEKHNSJP-UHFFFAOYSA-N 284.403 3.728 0 40 CHAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)CCC2 7050595 HMLXJSIVULZWHP-VAWYXSNFSA-N 299.395 3.588 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC1CCCC1 20454989 OTHNJZKACPCFEN-MRXNPFEDSA-N 275.392 3.520 0 40 CHAB CO[C@H](C)c1nc(CN2CCC[C@H]3CCC[C@@H]32)cs1 89913571 FQNOHJBOXZRDMH-BZPMIXESSA-N 280.437 3.615 0 40 CHAB Cc1ccsc1[C@H]1CC(O)=Nc2c1cnn2C(C)C 71283333 HKIGSWUFLAMKDL-JTQLQIEISA-N 275.377 3.958 0 40 CHAB CCCNc1ccc([C@H]2CCCCN2C(C)C)cn1 72213215 BIYOHDXNXRKWML-OAHLLOKOSA-N 261.413 3.839 0 40 CHAB Cc1ccc(-c2nnc([C@H]3CCN(CC(C)(C)C)C3)o2)cc1 49169939 HWOLSGSBGZBHAM-HNNXBMFYSA-N 299.418 3.880 0 40 CHAB biogenic,in-vitro CCNc1ccc2oc(-c3ccc(OC)cc3)nc2c1 226283655 WVKLEKATNNWJSN-UHFFFAOYSA-N 268.316 3.935 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccc(OC)c(Cl)c1 225381680 PAZQMJYFPFDWSM-VIFPVBQESA-N 286.828 3.824 0 40 CHAB CCCCOCc1cc(C(=O)NC(C)C)ccc1OCC 224723378 UTXTYZWYUYTZLW-UHFFFAOYSA-N 293.407 3.540 0 40 CHAB COc1cc(C)c(C(=O)N2CCC[C@H](C)C2)cc1C(C)C 225662535 SKABEVBKWVDKBV-ZDUSSCGKSA-N 289.419 3.999 0 40 CHAB CNc1ccc2oc(-c3ccc(OC)cc3)nc2c1 226272060 GQSPBIQTFNRORE-UHFFFAOYSA-N 254.289 3.545 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCC2CCCCC2)c1 224296506 RGUANHOWXCJUBQ-OAHLLOKOSA-N 289.419 3.767 0 40 CHAB CCCCCNC(=S)Nc1ccc(OC)c(Cl)c1 225377933 IAUCURVRJNQTPL-UHFFFAOYSA-N 286.828 3.825 0 40 CHAB Brc1ccc([C@@H]2C[C@H]2Br)cc1 149280930 WTUXFTDVACRZOV-DTWKUNHWSA-N 275.971 3.700 0 40 CHAB Cc1noc(C)c1[C@H](C)CNc1nc2ccc(F)cc2o1 892952831 KJANLIJKGYXXAW-MRVPVSSYSA-N 289.310 3.787 0 40 CHAB Cc1ccc(NC(=S)NCCc2cccs2)c(C)c1 16265636 IQCKZSYGTFTUBV-UHFFFAOYSA-N 290.457 3.894 0 40 CHAB CC[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc(F)cc1 12146568 VYAJLOAAPYDGIG-CYBMUJFWSA-N 288.322 3.572 0 40 CHAB CCOc1cc(Cl)c(CNC(C)C)cc1OCC 13915577 MIPBWPUTKZQORI-UHFFFAOYSA-N 271.788 3.635 0 40 CHAB FC(F)(F)c1ccc2[nH]c(Cl)nc2c1Br 258834460 PEGAYPNDTWHRCG-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB C/C=C/CSc1nnc(NCc2ccc(F)cc2)s1 10344896 QSZHEZGHWLDOMP-NSCUHMNNSA-N 295.408 3.958 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc(Cl)cc1F 21887370 ADGYLGHJSBWVRB-GWCFXTLKSA-N 298.789 3.586 0 40 CHAB C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 7909008 LXOLJUFDIYRFOD-LBPRGKRZSA-N 264.328 3.659 0 40 CHAB Clc1cccnc1SCc1nnc(-c2ccco2)o1 40051140 AOTFVHKUAWLOMK-UHFFFAOYSA-N 293.735 3.670 0 40 CHAB CC(=O)c1cccc(N2COc3ccc(Cl)cc3C2)c1 99881 AGSWOFHOJJDTNP-UHFFFAOYSA-N 287.746 3.899 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1 563061 CAXXYVMHZINPIB-UHFFFAOYSA-N 265.234 3.958 0 40 CHAB O=C1c2ccccc2N[C@H](c2ccccc2F)N1C1CC1 7886080 YSPUTUYORRGAEI-INIZCTEOSA-N 282.318 3.555 0 40 CHAB CCOC(=O)c1ccccc1C(=O)CCc1ccc(C)cc1 2516435 LGTLXCXRVHHSOM-UHFFFAOYSA-N 296.366 3.987 0 40 CHAB CNc1nc(-c2cn(C)c3cc(C)ccc23)cs1 2227335 RSRBKBBIHWRYKF-UHFFFAOYSA-N 257.362 3.652 0 40 CHAB CC(C)[C@H](CC(=O)O)c1ccc(Br)cc1 11628861 KRUVSXKUNSQVEN-NSHDSACASA-N 271.154 3.663 0 40 CHAB in-vitro O[C@H](/C=C\c1ccccc1)CCN1CC[C@@H]2CC[C@@H](C2)C1 4934854 JYGDXORVNYESLN-LZZOGUTLSA-N 285.431 3.573 0 40 CHAB CC(C)Sc1nnc(NC(=O)C2CCCCC2)s1 7321707 RTBUKCVUJFSACL-UHFFFAOYSA-N 285.438 3.557 0 40 CHAB CN(Cc1ccc(Br)s1)C(=O)C(C)(C)C 32678912 VWOJBNQTAOJCRD-UHFFFAOYSA-N 290.226 3.515 0 40 CHAB COc1cccc(CN[C@@H](C)c2ccccc2)c1OC 8534276 PRTDGVOHVUYRHI-ZDUSSCGKSA-N 271.360 3.555 0 40 CHAB CCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 483784 LZEXAXRBGRAXMT-OAHLLOKOSA-N 271.385 3.656 0 40 CHAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CCC(C)(C)O2 489256 ZKNOPHZVFBMBOM-UHFFFAOYSA-N 284.355 3.694 0 40 CHAB biogenic CCCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 530049 GDBCNDYRCHHKRM-UHFFFAOYSA-N 292.382 3.955 0 40 CHAB CCCN(CCC(=O)Nc1ccccc1Cl)CC1CC1 2765194 FJNCXUPRTJHOSY-UHFFFAOYSA-N 294.826 3.791 0 40 CHAB COC(=O)N[C@@H](c1ccc(C)cc1)C(Cl)(Cl)Cl 3097136 SXKADSSGALMVQP-VIFPVBQESA-N 296.581 3.762 0 40 CHAB CC(=O)Nc1nc(-c2cccc3ccccc23)cs1 1508061 BVPBRAIJMFYRGI-UHFFFAOYSA-N 268.341 3.922 0 40 CHAB Brc1ccccc1Oc1cccnc1 27099535 ASQFHYZZWANCJI-UHFFFAOYSA-N 250.095 3.636 0 40 CHAB CN(C)c1ccccc1NC(=O)NC1CCCCCC1 44082277 BCTDXSWSDXQDTK-UHFFFAOYSA-N 275.396 3.597 0 40 CHAB Cc1c(C(=O)NCc2cccnc2)sc2ccccc12 12527955 DGBGDVOGMGQMCO-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB CCN(CC)C(=O)C[C@@H](c1ccc(OC)cc1)C(C)C 2212116 ZLUYGCPLVIUJGM-MRXNPFEDSA-N 277.408 3.693 0 40 CHAB CC(C)(O)CCNC(c1ccccc1)c1ccccc1 81644087 VZQUZUSCEQZKMO-UHFFFAOYSA-N 269.388 3.527 0 40 CHAB O=C(Nc1ccccc1F)N(Cc1ccco1)C1CC1 12905683 SXLAECNQUTZAGO-UHFFFAOYSA-N 274.295 3.615 0 40 CHAB CC(C)NC(=O)c1cc(-c2ccco2)nc2ccccc12 3899956 UWFRPVQVNOZRCN-UHFFFAOYSA-N 280.327 3.633 0 40 CHAB CCOc1ccc([C@H](C)NC(=O)NC2CCCCC2)cc1 13331764 RTSLHLWAAMZAGR-ZDUSSCGKSA-N 290.407 3.778 0 40 CHAB COC(=O)CCSCc1c(Cl)cccc1Cl 17008041 OFMIGNXVISEVHJ-UHFFFAOYSA-N 279.188 3.790 0 40 CHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 4690481 UARGOLLTHDVSPH-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB CC(C)Sc1nc(N)c2c3c(sc2n1)CC[C@H](C)C3 4663671 NMYAMAORNIEZLN-QMMMGPOBSA-N 293.461 3.899 0 40 CHAB COc1ccc(Cl)cc1NC(=O)Cc1ccsc1 5575782 FUBRYQFJWBJCEW-UHFFFAOYSA-N 281.764 3.591 0 40 CHAB C[C@@H](NC(=O)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 5677239 DZRKULJGRDLEAG-RRCMXIFQSA-N 297.442 3.950 0 40 CHAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccco1 14910391 LAYGBGRTLHSHJE-UHFFFAOYSA-N 295.342 3.608 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 71840045 WTSPGRKRJWUKPT-DOMZBBRYSA-N 282.387 3.530 0 40 CHAB COc1ccc(CS[C@@H](C)c2nc(C)no2)cc1F 72272739 GQNCEOAVRXBDTI-QMMMGPOBSA-N 282.340 3.520 0 40 CHAB CCn1ccnc1SCC(=O)c1ccc(F)c(Cl)c1 76017902 QJMIDHXTPZWUQW-UHFFFAOYSA-N 298.770 3.671 0 40 CHAB Cc1ccc(-n2cc(C)cn2)c(NC(=O)c2ccccc2)c1 89618779 YAPQKZPDGHZZLO-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB COC(=O)c1ccc(NCCCc2ccccc2)cc1OC 508746054 JCESRGYAXCCEOE-UHFFFAOYSA-N 299.370 3.527 0 40 CHAB O=C(O)c1cccc(-c2ccc(Oc3ccccc3)nn2)c1 32918461 WJIKCLDATQDJPJ-UHFFFAOYSA-N 292.294 3.634 0 40 CHAB O=C(O)[C@H](CCCc1ccccc1)c1ccccc1 3846250 CGWQWPYMNKHMMO-MRXNPFEDSA-N 254.329 3.878 0 40 CHAB biogenic Cc1cccc(C2(CN[C@H](C)c3nnc(C)o3)CCCC2)c1 79030505 UFXXTHJHRBZDFP-CQSZACIVSA-N 299.418 3.849 0 40 CHAB O=CN1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217633 TWVJBOUBEXYDKK-INIZCTEOSA-N 298.411 3.916 0 40 CHAB CCCN1CCC[C@H]1c1ccc(N2CCCCC2)nc1C 72219282 IOJSXICHYZJXEK-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB O=Cc1c(-c2ccccc2)nc2sc3c(n12)CCCC3 33419188 FXHNBSCXMCCREJ-UHFFFAOYSA-N 282.368 3.754 0 40 CHAB CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(CC)OC)cc1 225600920 HBYXQHXXCFRIKZ-BLLLJJGKSA-N 279.380 3.618 0 40 CHAB O=C(O)[C@@H](Cc1cccc(Cl)c1)OCc1ccccc1 225060462 NXFZVACJMKLIKZ-OAHLLOKOSA-N 290.746 3.553 0 40 CHAB Cc1ccc(CNNc2nc3ccccc3s2)cc1 40538139 OIPAVRKXVHAZDP-UHFFFAOYSA-N 269.373 3.721 0 40 CHAB c1ccc(Oc2cccc(NCc3cncs3)c2)nc1 195555812 LDQMJNUTSBVTFG-UHFFFAOYSA-N 283.356 3.943 0 40 CHAB CCCCOc1ccc(C(=O)C(F)(F)F)cc1F 95730678 SREZUEXCBSUSDY-UHFFFAOYSA-N 264.218 3.750 0 40 CHAB CC(C)c1ocnc1C(=O)N1CCCCc2ccccc21 98009581 DNDMYKFUHDHMOR-UHFFFAOYSA-N 284.359 3.781 0 40 CHAB CC(C)[C@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1 96047904 UEZBNGBNVWKXSF-MRXNPFEDSA-N 291.410 3.853 0 40 CHAB C[C@@H]1CCN(C(=O)Nc2cccnc2)[C@H](c2ccco2)C1 98015838 KMLYUADHQJJIAU-OCCSQVGLSA-N 285.347 3.680 0 40 CHAB COCCCSc1ccc(NCc2cccnc2)cc1 95429113 JBKJMQBNDBFZLU-UHFFFAOYSA-N 288.416 3.822 0 40 CHAB S=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 254343788 ZNJGUXPWGCZBSS-KWBADKCTSA-N 280.824 3.815 0 40 CHAB Cc1cccc(C(=O)c2ccc(F)c(F)c2F)c1C 95916801 KWUBMHDSWUNWQK-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB CCCc1nccn1-c1cccc(Br)c1 95915574 LIGYHTGDKMCCDZ-UHFFFAOYSA-N 265.154 3.587 0 40 CHAB Clc1cc2nc(-c3ccccn3)[nH]c2cc1Cl 57797914 QDJMGIDQTAHZRW-UHFFFAOYSA-N 264.115 3.932 0 40 CHAB Nc1ccc(C(F)(F)F)cc1C(=O)c1ccccc1F 75835489 GIITYMKYXCQJJY-UHFFFAOYSA-N 283.224 3.658 0 40 CHAB CN(C(=O)Nc1ccccc1N1CCCCCC1)C1CC1 77186866 JZXBNVPQLCLSKV-UHFFFAOYSA-N 287.407 3.693 0 40 CHAB Cc1cccc(CCNC(=O)c2cccc3cccnc23)c1 78720249 UCWXPDAGZLSHOK-UHFFFAOYSA-N 290.366 3.516 0 40 CHAB CC(C)OC(=O)c1ccc(NC(=O)c2cccs2)cc1 117689 WAQYIWPVXHYBOA-UHFFFAOYSA-N 289.356 3.566 0 40 CHAB CC1=CC[C@@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3[C@@H]2C1 12657367 WWIMATJEWPNNPT-DAYGRLMNSA-N 292.382 3.580 0 40 CHAB biogenic c1ccc2c(c1)CO[C@H](c1ccnc3ccccc13)N2 14000561 PULAZGOMJZYJQP-QGZVFWFLSA-N 262.312 3.876 0 40 CHAB CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1 19022216 FLQUUJRTODFBCA-UHFFFAOYSA-N 291.782 3.782 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1cnc2ccccc2c1 1500844 RMTSGDUXRWGPQQ-ZHACJKMWSA-N 274.323 3.887 0 40 CHAB CC(C)(C)OC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 201262009 QXNHXBMLVJALAE-UHFFFAOYSA-N 294.782 3.759 0 40 CHAB O=C1CC(Nc2ccccc2Cl)=NN1c1ccccc1 16488697 HFWJEMABRNYFLA-UHFFFAOYSA-N 285.734 3.502 0 40 CHAB Cc1ccc(C)n1C1CCN(Cc2ccccc2)CC1 35120314 OUNBINGWDMQQAL-UHFFFAOYSA-N 268.404 3.942 0 40 CHAB in-vitro Cc1nc2ccccc2n1C1CN([C@H](C)c2ccccc2)C1 1775974078 KSLFFZGVTNAXIQ-CQSZACIVSA-N 291.398 3.963 0 40 CHAB CCN(c1ccc(NC(=O)c2ccc(C)n2C)cc1)C(C)C 30675543 IZKLHKMISUFUJB-UHFFFAOYSA-N 299.418 3.821 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2ccc(F)cc2F)c1 505721 IFZCDSZXLUKIMJ-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB COc1ccccc1C(=O)Nc1ccccc1N1CCCC1 569792 USTCVLFYUNZSJH-UHFFFAOYSA-N 296.370 3.548 0 40 CHAB CCOC(=O)c1c(-n2c(C)ccc2C)sc(C)c1C 563797 QVTMDWORVHUYDB-UHFFFAOYSA-N 277.389 3.949 0 40 CHAB CO[C@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1 975231 ODCHOFPHBLTDID-INIZCTEOSA-N 269.344 3.630 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc3c(c2)CCC3)C1 20569338 VCQNPHWPNVCGRK-STQMWFEESA-N 272.392 3.685 0 40 CHAB O[C@H]1Cc2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 1695669 QTBPVJOHAFKPAU-LSDHHAIUSA-N 293.288 3.776 0 40 CHAB COC(=O)N1[C@H](c2ccccc2)[C@H]1c1ccccc1 2839298 RCDUNEOSRBMNMC-HUUCEWRRSA-N 253.301 3.551 0 40 CHAB CCCN1C(=O)c2[nH]nc(C)c2[C@H]1c1ccc(C(C)C)cc1 4909604 DTEJSZCNYGLXQW-QGZVFWFLSA-N 297.402 3.797 0 40 CHAB CCOc1ccc(C(=O)O)cc1/C=N/c1ccccc1C 6963895 OVSLMQCJWLTXCG-WOJGMQOQSA-N 283.327 3.843 0 40 CHAB COc1cccc(CNC(=O)C[C@H](C)c2ccccc2)c1 8314257 OMXGSIUPNXCIOU-AWEZNQCLSA-N 283.371 3.505 0 40 CHAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3C(=O)[C@@H](C)CC[C@@H]32)C1 102807147 GOCNYSCJLWRRBG-DFZHDAQFSA-N 290.403 3.670 0 40 CHAB CN(c1ncnc2sc3c(c12)CCC3)C1CCCC1 22015641 QCYKKYYCFPIYLC-UHFFFAOYSA-N 273.405 3.559 0 40 CHAB COc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1C 59408988 NBOFDHJUYGHDDE-INIZCTEOSA-N 284.384 3.700 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(F)cc1F)[C@@H]1C[C@@H]2CC[C@@H]1C2 100795654 ZKRCVTUYFNGYLD-UZWSLXQKSA-N 294.345 3.911 0 40 CHAB CC[C@H](C)c1ccc(NC(=O)c2cnn(CC)c2C)cc1 2760100 FDADSFWDWCYCLY-LBPRGKRZSA-N 285.391 3.977 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1c[nH]c2ccccc12 24767366 WLWPACDCSBFVNV-UHFFFAOYSA-N 268.291 3.868 0 40 CHAB COc1cccc2cc([C@@H](C)NC(=O)c3ccoc3)oc12 25192900 BAPDKVIQUKYGDM-SNVBAGLBSA-N 285.299 3.525 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1C(=O)C2 118932312 SPJUEQDDFYWVQF-XNLWHXBOSA-N 290.447 3.959 0 40 CHAB Cc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1F 58379550 OKMHKJOZXUQMLF-UHFFFAOYSA-N 299.349 3.726 0 40 CHAB O=C(C1CCCCC1)N(Cc1cccs1)C1CC1 45257777 GNFYTAXHYGULBD-UHFFFAOYSA-N 263.406 3.819 0 40 CHAB Cc1ccc(NC(=O)C[C@H](C(=O)O)c2ccccc2)c(C)c1 12769770 JAXPZRDZIXBGKN-HNNXBMFYSA-N 297.354 3.500 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)c1c(F)cccc1F 3446250 DNLPBJIGLIXOAT-GFCCVEGCSA-N 289.325 3.716 0 40 CHAB CC[C@@H](C)C(=O)NCc1ccc(Oc2ccccc2)nc1 69322746 KVWOESZPMFLXGQ-CYBMUJFWSA-N 284.359 3.536 0 40 CHAB CCOc1ccc([C@H](CC)NC(=O)N[C@@H](C)CC)cc1 13746434 XXQGFNGBKJGQNM-WFASDCNBSA-N 278.396 3.634 0 40 CHAB Cc1csc(SCc2nnc(-c3ccccc3)o2)n1 6946678 KSHMNWAGZWTZKP-UHFFFAOYSA-N 289.385 3.794 0 40 CHAB CSc1ccc(Br)cc1OC(F)F 60248035 ARKTVDGUYBALKT-UHFFFAOYSA-N 269.110 3.772 0 40 CHAB COc1ccc(C)cc1[C@@H](C)N[C@H](CCO)c1ccccc1 96478214 XXHLDOJMQQMTGQ-CRAIPNDOSA-N 299.414 3.778 0 40 CHAB O=C1Nc2ccc(Cl)cc2/C1=C/c1ccccc1F 20114024 ZFWPEZWERSHDNS-GHXNOFRVSA-N 273.694 3.972 0 40 CHAB C[C@H](Cc1cccs1)NC(=O)c1c(F)cccc1Cl 33206209 QDDDMMYRMXPECG-SECBINFHSA-N 297.782 3.902 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1cccs1 32747961 ZTMLAOANPVEEIE-CHWSQXEVSA-N 261.390 3.768 0 40 CHAB O=C(c1ccoc1)N1CCS[C@@H](c2cccs2)CC1 219508156 DUVUHVLVIUXPAN-CYBMUJFWSA-N 293.413 3.662 0 40 CHAB Cc1cc2nc(-c3cc(N)cc(N)c3C)oc2cc1C 216735815 YYLIFIXTWXSEKM-UHFFFAOYSA-N 267.332 3.584 0 40 CHAB CCOc1ccccc1NC(=O)NC1CCCCC1 43468523 JARQZHJDDQMZJA-UHFFFAOYSA-N 262.353 3.540 0 40 CHAB C[C@H]1CC(C)(C)N(C(C)(C)C(=O)O)c2ccccc21 223204499 IQNYUOFJCSKSHX-NSHDSACASA-N 261.365 3.642 0 40 CHAB CCO[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140246 WINKYTRXUCPZKX-MRXNPFEDSA-N 286.327 3.511 0 40 CHAB CCCC[C@H](C)OC(=O)c1snnc1-c1ccccc1 223832105 HTUDUTJQVAMZJD-NSHDSACASA-N 290.388 3.941 0 40 CHAB Cc1ccc(F)cc1NC(=O)N[C@H]1CCCC[C@@H]1C 40023830 LQXDDDMUTZMUJX-GWCFXTLKSA-N 264.344 3.834 0 40 CHAB CCCN(CC(=O)O)c1ccc(Oc2ccccc2)cc1 224999766 KRZYTVTWXBXUHY-UHFFFAOYSA-N 285.343 3.780 0 40 CHAB CC(C)(C)NCc1cc(Cl)ccc1Br 85219844 LXYMFAYJMOBJLG-UHFFFAOYSA-N 276.605 3.991 0 40 CHAB CCCCOc1ccc(C(=O)c2ncccc2C)cc1 45028685 DNMRRFHLHZIENW-UHFFFAOYSA-N 269.344 3.800 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)NCC1=CCCCC1 224432773 LYOHVLMCXTULPQ-INIZCTEOSA-N 287.403 3.769 0 40 CHAB COC(=O)CCCC(=O)c1ccc(C(C)(C)C)cc1 49850596 KABXSOYWXBUJML-UHFFFAOYSA-N 262.349 3.510 0 40 CHAB Nc1cc(Nc2ccccc2F)nc(-c2ccccc2F)n1 49467821 IOKMUIVMZGYNSN-UHFFFAOYSA-N 298.296 3.748 0 40 CHAB O=C(NCc1cncc(-c2ccco2)c1)Nc1ccccc1 575619711 XSCHLAUDFOTIAX-UHFFFAOYSA-N 293.326 3.663 0 40 CHAB Fc1cc(F)c(C(F)F)c(F)c1Br 575628993 HZMFFDCWKZRAAR-UHFFFAOYSA-N 260.987 3.804 0 40 CHAB CC[C@@H](C)c1ccc(O[C@@H]2CCNC2)c(Cl)c1 42775084 RJAVNZAOVOORKZ-ZYHUDNBSSA-N 253.773 3.594 0 40 CHAB in-vitro Cc1c(NC(=O)N2CCCC2)cccc1C(F)(F)F 95966423 OHQZUEYIKCUIOW-UHFFFAOYSA-N 272.270 3.642 0 40 CHAB CC[C@H](C)OC(=O)c1ccccc1C(=O)O[C@H](C)CC 17325420 HAPGVMADJBQOGC-TXEJJXNPSA-N 278.348 3.597 0 40 CHAB Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(Cl)n1 1776011322 LUJVUEKEJMYMFG-UHFFFAOYSA-N 291.141 3.581 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1ccc2cc[nH]c2c1 32477447 IWAXAGWVFQENDY-UHFFFAOYSA-N 284.746 3.751 0 40 CHAB c1ccc(Sc2cc(N3CCCC3)cc3nonc23)cc1 85409624 GOGIHCNSQFZGIA-UHFFFAOYSA-N 297.383 3.974 0 40 CHAB CC(C)COc1c(F)cc(C(=O)C(F)(F)F)cc1F 100792112 BRBWYSKSZSHRAS-UHFFFAOYSA-N 282.208 3.745 0 40 CHAB CCCC(=O)/N=c1/sc2cc(Cl)ccc2n1CC 100878786 SWIZOYNWKJXNHE-FYWRMAATSA-N 282.796 3.604 0 40 CHAB Cc1nc(C(=O)Nc2cccnc2)c(-c2ccccc2)s1 40326356 BXAOQLAHSZDVLE-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=c1[nH]c(-c2ccoc2)nc2scc(-c3ccco3)c12 89797956 ZTPXQPFWFDJQAB-UHFFFAOYSA-N 284.296 3.505 0 40 CHAB COc1cccc2c(C=O)c(-c3ccccc3)[nH]c12 1409240 BWAKGOCOOWSZKC-UHFFFAOYSA-N 251.285 3.656 0 40 CHAB O=C(CCC1OCCCO1)c1c(Cl)cccc1Cl 2581265 NAHPOFDKFLWRJW-UHFFFAOYSA-N 289.158 3.719 0 40 CHAB CCCN(C(=O)COc1ccccc1)c1cccc(C)c1 9095455 OHMHSGXPOJDXNG-UHFFFAOYSA-N 283.371 3.817 0 40 CHAB CN(C)CCOc1ccccc1Cc1cccc(Cl)c1 1586331 QPQOFPPOKWKBRZ-UHFFFAOYSA-N 289.806 3.871 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(Cl)c1 3431075 NDCNCKJSWMNUAE-GXFFZTMASA-N 251.757 3.649 0 40 CHAB Cc1nccc(-c2cccc(NC(=O)c3cccs3)c2)n1 32817484 VVXRZAHLXDXSAW-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc3ccccc23)C1 106521599 KGAQXFONLOFKIA-HUUCEWRRSA-N 296.414 3.899 0 40 CHAB CCc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C)C1 43401653 BVHNCNRYDIZCLM-GXTWGEPZSA-N 260.381 3.949 0 40 CHAB Cc1noc(C)c1CN1CCC[C@@H]1C1CCCCC1 58424160 LNSBVRQRTFXYFU-MRXNPFEDSA-N 262.397 3.836 0 40 CHAB Cc1nc(-n2ccnc2)c2c(-c3ccccc3)csc2n1 12629032 WOYUQUFPWOIPLC-UHFFFAOYSA-N 292.367 3.852 0 40 CHAB O=C(Nc1nncs1)c1sccc1-c1ccccc1 3336414 DJSSQRANVGMLOK-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB Oc1ccc(SCc2nc(-c3ccsc3)no2)cc1 37995797 CZXBIWSZGJVSOJ-UHFFFAOYSA-N 290.369 3.796 0 40 CHAB O=C(c1ccc(Cl)o1)N1CCC[C@@H]1c1cccs1 22699945 IKXNCFOTPKBQNR-SECBINFHSA-N 281.764 3.972 0 40 CHAB CCNC(=S)N[C@H](C)c1ccc(-c2ccccc2)cc1 15545339 UOAMTAPFMXJYPN-CYBMUJFWSA-N 284.428 3.899 0 40 CHAB O=C(Nc1c(F)cccc1F)c1cccc(OC(F)F)c1 9253487 FXBCVRLTTVNYDS-UHFFFAOYSA-N 299.223 3.819 0 40 CHAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(N)cc2C)cc1 19736413 FCWNTNCVIMVYNQ-ZDUSSCGKSA-N 298.386 3.546 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1F 9364685 RTDCNLLOQNWWLM-ZIAGYGMSSA-N 299.345 3.885 0 40 CHAB c1sc(C2CCCCC2)nc1CSc1cn[nH]n1 97014308 ZYQPBMZSOCPVPO-UHFFFAOYSA-N 280.422 3.601 0 40 CHAB Fc1cc(OC(F)(F)Cl)ccc1Br 95215697 FOBNLXZUHZZCQN-UHFFFAOYSA-N 275.451 3.756 0 40 CHAB O=C(Nc1cccc(NC2CCCC2)c1)C1=COCCC1 95398398 IAMHSXLVFNRYRO-UHFFFAOYSA-N 286.375 3.674 0 40 CHAB CCOC(=O)[C@@H]1CC[C@H](NC2CCC(C)(C)CC2)C[C@@H]1C 95451038 WNQZBQCCYVWQBJ-CWRNSKLLSA-N 295.467 3.913 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1OC 22528151 LDDZDYDLOVILCI-CYBMUJFWSA-N 299.370 3.503 0 40 CHAB O=C(c1ccc2ccccc2c1)[C@@H](O)c1ccccc1 3844978 HOFPLNNWPICKCH-KRWDZBQOSA-N 262.308 3.756 0 40 CHAB biogenic Cc1cc(C)cc(NC(=O)c2c(C)nc3ccc(C)cn23)c1 71459245 LWIIIVWZEVLXQE-UHFFFAOYSA-N 293.370 3.820 0 40 CHAB Cc1c(I)ccc2ccccc12 71256640 YBLJFOPUJKFWFY-UHFFFAOYSA-N 268.097 3.753 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCC[C@@H](C)C1 216383430 NDTGMNCLUPAFNB-DYVFJYSZSA-N 289.419 3.719 0 40 CHAB Cc1cccc(-c2nnc(-c3c(C)nc4ccccn34)o2)c1 216602501 JYDZNHGAIPNYQF-UHFFFAOYSA-N 290.326 3.668 0 40 CHAB Nc1ccc(Cl)cc1-c1nc2cc(Cl)cnc2o1 78406833 AXRWWXZZTAJCOY-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB Cc1ccc(CN(Cc2ccc(C)cc2)[C@H]2CCNC2)cc1 72203997 VNIRNKLAJDGGAL-FQEVSTJZSA-N 294.442 3.668 0 40 CHAB COc1cc(Cl)c2[nH]c(-c3cccc(N)c3C)nc2c1 216917794 WHCMSKWLUCTXMF-UHFFFAOYSA-N 287.750 3.783 0 40 CHAB CN(C(=O)Cc1ccccc1Cl)c1ccccc1 46469492 VDVNKZLVLSMPFN-UHFFFAOYSA-N 259.736 3.546 0 40 CHAB CCOc1ccc([C@@H](CC)NCC(C)C)cc1OC 222638626 WSXRVZNIMYLIGZ-CQSZACIVSA-N 265.397 3.791 0 40 CHAB COc1ccccc1NC(=O)N(CCC(C)C)C1CC1 40067746 PKOZYTDMNQAFPM-UHFFFAOYSA-N 276.380 3.738 0 40 CHAB Cc1ccnc(NC(=S)N[C@H](C)c2ccc(F)cc2)c1 225202731 CQHMBRPVKYIOBT-LLVKDONJSA-N 289.379 3.577 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)Cc1ccccc1F 225452619 LUMBFASSVQOLJX-UHFFFAOYSA-N 285.362 3.506 0 40 CHAB Cc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222567980 CKRIKJQXXKZMFY-CQDKDKBSSA-N 299.399 3.572 0 40 CHAB C[C@@H](NC(=O)CC1CC1)c1ccc(-c2cccnc2)cc1 96446750 DGOWSNIFXPWQCJ-CYBMUJFWSA-N 280.371 3.726 0 40 CHAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(C(F)(F)F)cc1 41111500 YZDSAQMUKCFZAY-UHFFFAOYSA-N 298.268 3.689 0 40 CHAB COc1ccc(OCC(=O)c2cc(C)n(C3CC3)c2C)cc1 62686999 LJGLGLBPJREXRY-UHFFFAOYSA-N 299.370 3.710 0 40 CHAB COc1ccc(C2([C@H](N)CC(C)C)CCC2)cc1F 1772714982 VSXPNDKEHRGMCC-OAHLLOKOSA-N 265.372 3.629 0 40 CHAB COc1cccc(C(=O)Nc2ccccc2C2(C)CC2)c1 5523119 APVYYAAWXMGMTG-UHFFFAOYSA-N 281.355 3.999 0 40 CHAB Clc1ss/c(=N\c2ccccn2)c1Cl 12360592 RRGKLDYMLXTTEX-WQLSENKSSA-N 263.174 3.744 0 40 CHAB O=C(N1CCCCC1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 13646099 SKTXCVZIJGIVLT-YPXDRJKUSA-N 281.827 3.577 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccccc2)[C@@H]1C 13942805 HQWQARFTJUURRA-TUKQKUOVSA-N 257.377 3.641 0 40 CHAB O=C1C[C@H](c2ccco2)Cc2c1cnn2-c1ccccc1F 17023943 PIKQCLSEASVMAE-LLVKDONJSA-N 296.301 3.517 0 40 CHAB Cc1ccc(/N=C2\S/C(=C/c3ccco3)C(=O)N2C)cc1 8362870 UZLNHRQMVINECV-CRPPYINASA-N 298.367 3.822 0 40 CHAB CC(C)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 5384410 YONKIYHDTYGFNE-GQCTYLIASA-N 258.148 3.531 0 40 CHAB O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1cccs1 21790725 IDHHILUDPJOWMC-GFCCVEGCSA-N 288.372 3.591 0 40 CHAB CCCC(=O)Nc1nc2c(C)c(Cl)ccc2s1 4331370 GRNJZPWGDJASAE-UHFFFAOYSA-N 268.769 3.997 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1c(C)c(C)c(C)c(C)c1C 575358819 SQOPTDMWKGTJMF-UHFFFAOYSA-N 276.376 3.753 0 40 CHAB CC[C@H](C(=O)N1CC2(C1)CC(C)(C)C2)c1ccccc1 1775971449 JXVTVJXQTBKIKK-HNNXBMFYSA-N 271.404 3.829 0 40 CHAB CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCc2ccccc21 27823156 AXDYJRUSMZWOFV-SFHVURJKSA-N 290.366 3.927 0 40 CHAB Cc1ccc(C)c(OCC(=O)Nc2cccc(C)c2C)c1 730813 MFDRTJWAXARRSU-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CCC1(C)COC(C)(CCc2ccc(OC)cc2)OC1 1671352 QJBVGCMZGPXYAS-UHFFFAOYSA-N 278.392 3.807 0 40 CHAB c1ccc(NN(Cc2cnccn2)c2ccccc2)cc1 1723172 VBXKYNWQDHSKJK-UHFFFAOYSA-N 276.343 3.510 0 40 CHAB in-vitro OC1=Nc2n[nH]cc2[C@H](c2c(F)cccc2Cl)SC1 20737399 VMPIKNSMYKRXSB-LLVKDONJSA-N 297.742 3.626 0 40 CHAB CCOC(=O)c1cc2c(C)n(C)c(C)c2ccc1=S 6463889 XHTYYOIVYAPJFA-UHFFFAOYSA-N 275.373 3.701 0 40 CHAB Cc1ccccc1C(=O)N[C@H]1CCCc2ccccc21 6504675 OLHBLRAADXWDMO-KRWDZBQOSA-N 265.356 3.802 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)c2ccccc2Cl)[C@@H]1C 6525605 TZOGOBWTTOQLHL-MISXGVKJSA-N 265.784 3.895 0 40 CHAB COc1ccc(C)c(NC(=O)c2ccc(Cl)cc2)c1 6846445 GHYKZIUYWFLIPS-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB CCN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 6951846 GNMRZYHNAAZQEK-GXDHUFHOSA-N 283.352 3.896 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCC[C@H](C)C1 22519215 IIWYGEHIVMQZDT-XJKSGUPXSA-N 289.419 3.719 0 40 CHAB CCOc1ccc(NC(=O)OCC(F)(F)F)cc1C 69742951 ORQJCDSHLOLZOA-UHFFFAOYSA-N 277.242 3.505 0 40 CHAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CC1 1518436 UCAMZCQRXFHFFJ-UHFFFAOYSA-N 277.327 3.578 0 40 CHAB Cc1cnccc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 107292091 NPJFALCJRIIPOX-JTQLQIEISA-N 286.400 3.829 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccncc2C)C1(C)C 107294411 HVLRYQRUCQZFFB-OCCSQVGLSA-N 258.365 3.567 0 40 CHAB Cc1ccc(NC(=S)Nc2ccc3nccnc3c2)cc1 107731888 ASHALAGUCMNTHO-UHFFFAOYSA-N 294.383 3.747 0 40 CHAB O=C(O)c1ccccc1OCc1ccc(Cl)cc1 3243304 UMIRGIHRCRAJPI-UHFFFAOYSA-N 262.692 3.617 0 40 CHAB O=C(Nc1ccccc1)Nc1ccnn1C1CCCC1 28247656 AKPGWAANUGCTNG-UHFFFAOYSA-N 270.336 3.642 0 40 CHAB Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 12893237 MPYVILMQJYFSOI-KRWDZBQOSA-N 296.370 3.600 0 40 CHAB COc1ccc(/C=C/c2cnc3ccccc3n2)cc1OC 16997780 FNOLUOKAPMSWQC-VQHVLOKHSA-N 292.338 3.817 0 40 CHAB CCCc1cc(=O)[nH]c(S[C@@H](C)c2ccccc2)n1 5154771 KPMSCUGQLQDZIT-NSHDSACASA-N 274.389 3.576 0 40 CHAB Cc1noc(C)c1C(=O)Nc1ccc(-c2nccs2)cc1 8342617 FQCVAKSOMYSMAW-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB COc1ccccc1OCC(=O)Nc1ccccc1C(C)C 4599568 RVCWPWDZISJXMC-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB Cc1ccc(CCCNC(=O)Cc2ccc(C)cc2)cc1 20495036 CJULOFVKKMLKMJ-UHFFFAOYSA-N 281.399 3.595 0 40 CHAB CC(C)(c1ccccc1)c1ccc(O[C@H]2CCNC2)cc1 14632238 RYPLQWRKHHDZAD-SFHVURJKSA-N 281.399 3.753 0 40 CHAB Cc1cc(-c2cccs2)cc(C)[n+]1-c1ccccc1N 4817241 MYBAGJNKUCOENL-UHFFFAOYSA-N 281.404 3.891 0 40 CHAB Cc1cc(Cl)ccc1NCC(=O)Nc1cccc(F)c1 15290318 MVZNEIZLHGQISL-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB Cc1nc2cc(NC(=O)CCOc3ccccc3)ccc2o1 15567055 SKQNOVVIGPALHG-UHFFFAOYSA-N 296.326 3.544 0 40 CHAB Cc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(C)c1 15906789 HYMXCBVTKYASED-YIONKMFJSA-N 285.387 3.637 0 40 CHAB O=C(N[C@@H](c1ccccc1)c1cccs1)C1CCC1 7738906 NRWIFZRIRVTRQE-HNNXBMFYSA-N 271.385 3.754 0 40 CHAB OCCN(Cc1cccs1)C[C@H]1CC12CCCCC2 19223555 CEBDPERFGXPCCQ-CQSZACIVSA-N 279.449 3.513 0 40 CHAB Cc1ccc(NC(=O)c2occc2C)c(Br)c1 19508225 FQTPBLOBOWTQRK-UHFFFAOYSA-N 294.148 3.911 0 40 CHAB O=C(O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 19669938 NFLNHAANTYEWTK-ZDUSSCGKSA-N 280.682 3.684 0 40 CHAB in-vitro COc1ccc2nc(NCc3cccs3)sc2c1 62716556 OLUTVBZKBUHQSP-UHFFFAOYSA-N 276.386 3.979 0 40 CHAB O=C(N[C@H](c1ccccn1)C1CCCC1)C1CCCC1 72303686 AXOIGLMHXDQVMO-INIZCTEOSA-N 272.392 3.619 0 40 CHAB O=C(c1cc(-c2cccs2)cs1)N1CCSCC1 72243224 YQUWQNXRWUGGDS-UHFFFAOYSA-N 295.454 3.666 0 40 CHAB CSC(=S)Nc1ccc(NC(=S)SC)cc1 3622489 LCYNNKKLPFFRDE-UHFFFAOYSA-N 288.488 3.806 0 40 CHAB biogenic COc1ccc(C)cc1C(=O)c1ccccc1Cl 5542059 GXGBFJKPZZEJKV-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)C1CCCC1 38751999 YHYIYSONLROAEV-MRXNPFEDSA-N 289.419 3.862 0 40 CHAB O=C(C1CCCC1)N1CCS[C@H](c2ccccc2)CC1 211140107 YKUBJHLSEMLFGV-INIZCTEOSA-N 289.444 3.883 0 40 CHAB O=C(Cn1ccc2ccccc21)NCc1ccc(Cl)cc1 32096596 ZRXUUCSJDWGHFY-UHFFFAOYSA-N 298.773 3.611 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)C(C)C 225216740 ZBIKAGZTTCKHOA-YPMHNXCESA-N 283.799 3.658 0 40 CHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnco1 82335569 WUMJKCHYVAKRMJ-UHFFFAOYSA-N 280.283 3.719 0 40 CHAB O=C(O)c1sc2c(Cl)ccc(O)c2c1Cl 228954584 FDJGCVAZFNBUBT-UHFFFAOYSA-N 263.101 3.612 0 40 CHAB COc1ccc([C@@H](CC(C)C)NC(=O)C(C)(C)C)cc1 225751405 PSKGCSPESXPUJY-OAHLLOKOSA-N 277.408 3.945 0 40 CHAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1Cl 225703730 JAKWRVFROPYISC-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB Cc1cnc(CSc2nc(Cc3ccccc3)c(C)[nH]2)o1 96424797 UECPAEJRFOIXOK-UHFFFAOYSA-N 299.399 3.898 0 40 CHAB CC(CF)(CF)C(=O)Cc1c(F)cccc1Cl 255187503 DYOLGPINFWSAPP-UHFFFAOYSA-N 264.674 3.536 0 40 CHAB Cc1csc(C(=O)N2CCC[C@H](c3nccs3)C2)c1 257339793 ZDEXXRIFYZUUOM-NSHDSACASA-N 292.429 3.533 0 40 CHAB CC[C@H](C)C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C 72314123 DNDFVZAUWAJTHT-UWVGGRQHSA-N 294.782 3.877 0 40 CHAB CN(C)CCCC(=O)N(c1ccccc1)c1ccccc1 5535340 LZAILUDAWUBJON-UHFFFAOYSA-N 282.387 3.693 0 40 CHAB CCC(=O)N1c2ccccc2[C@H]2OCC[C@@H]2[C@H]1c1ccco1 12661741 GMILVLBJMWHFQE-JEBQAFNWSA-N 297.354 3.855 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)[C@@H]1C 17007898 FYNCDKRQFLAWQU-DNRKLUKYSA-N 278.223 3.511 0 40 CHAB Fc1ccc(-c2cc([C@H]3CCCCCN3)no2)cc1 12185187 QYJFKCBSSHPMPC-CYBMUJFWSA-N 260.312 3.685 0 40 CHAB CN(Cc1cccc(F)c1)C(=O)c1c[nH]c2ccccc12 35134692 JEWUZWMRIHTBBU-UHFFFAOYSA-N 282.318 3.579 0 40 CHAB C[C@@H]1c2ccsc2CCN1Cc1ccccc1C(=O)O 42771625 GBLFGNTTXIUFRP-LLVKDONJSA-N 287.384 3.566 0 40 CHAB CC(C)[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1 70268445 VSGQATRXLIJWAA-ZDUSSCGKSA-N 277.408 3.524 0 40 CHAB CCOc1ccccc1C(=O)Oc1c(C)cccc1C 129570 YIGGZZBCBJPTSK-UHFFFAOYSA-N 270.328 3.921 0 40 CHAB O=C1CCCC[C@H]1CNc1cccc(C(F)(F)F)c1 269284 MDDNGIXGPLIOOO-JTQLQIEISA-N 271.282 3.877 0 40 CHAB Fc1ccc(-c2cc(CSc3nncs3)on2)cc1 40090159 ZHVZKLAOYVAAHR-UHFFFAOYSA-N 293.348 3.625 0 40 CHAB CCc1cc(C(=O)N2CCn3cccc3[C@H]2C)sc1C 30264867 FCDCECOVFILRJQ-LLVKDONJSA-N 288.416 3.637 0 40 CHAB O=C(O)c1cccc(Nc2ccc(-c3cncnc3)cc2)c1 1857794979 CJDKWRYHSWQSKI-UHFFFAOYSA-N 291.310 3.585 0 40 CHAB Cc1ccc(CSc2nc(-c3ccccc3O)n[nH]2)cc1 411868 NCOSHSXVABTNAU-UHFFFAOYSA-N 297.383 3.778 0 40 CHAB Cc1cc(F)ccc1NC(=O)Cc1c[nH]c2ccccc12 7750954 NJFDLDCHYSZROI-UHFFFAOYSA-N 282.318 3.797 0 40 CHAB COc1cccc(CS[C@H](C(=O)O)c2ccccc2)c1 1559805 DCWDBUYRVFMPPL-HNNXBMFYSA-N 288.368 3.754 0 40 CHAB in-vivo COc1ccc(CC[C@@]2(C)O[C@H](C)CC(C)(C)O2)cc1 1671349 AGEGKOQENQSFOE-DYVFJYSZSA-N 278.392 3.948 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)s2)cc1 1692662 LMWYDXMCVBOLGO-UHFFFAOYSA-N 252.722 3.641 0 40 CHAB O=C(NC1CCCCCC1)c1cccc(Br)c1 288628 YUEBYBASBFHJGO-UHFFFAOYSA-N 296.208 3.902 0 40 CHAB CC(C)(CO)[C@@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@H]21 4025299 UUJKDBXPGVPHKQ-DGADGQDISA-N 264.409 3.545 0 40 CHAB COC(=O)C[C@@]1(C)O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21 4027587 WNVJVFWHEQPCPV-QBYUYEEZSA-N 278.392 3.624 0 40 CHAB Cc1ccc(Nc2ccc(C(=O)N3CCCCC3)cn2)cc1 6898027 OKKVDDWFNZJYMK-UHFFFAOYSA-N 295.386 3.760 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cc(OC)ccc1OC 7400823 GRRXDNZWVSHCJZ-UHFFFAOYSA-N 299.370 3.827 0 40 CHAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)no1 57769252 DCXYBYNSWWMFSK-VIFPVBQESA-N 279.727 3.519 0 40 CHAB Cc1ccc(C(=O)OCCOc2ccc(Cl)cc2)s1 2652844 OUIJLRCRZOTKLS-UHFFFAOYSA-N 296.775 3.946 0 40 CHAB Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1C 2630756 NBQJJYLXSRBSEE-UHFFFAOYSA-N 278.355 3.966 0 40 CHAB O[C@@H](c1ccccc1)c1ccccc1Br 21952618 PFNIDHUYBLYJGE-ZDUSSCGKSA-N 263.134 3.531 0 40 CHAB CCn1ccc2cc(NC(=O)c3ccc(C)n3C)ccc21 68926939 ISERSUROPFDEPZ-UHFFFAOYSA-N 281.359 3.560 0 40 CHAB COc1ccc(NC(=O)C=C(C)C)cc1OC1CCCC1 24505460 GKIMSHGYOKSTHG-UHFFFAOYSA-N 289.375 3.921 0 40 CHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCC(C)(C)C1 20046148 NPHQHMFJSPVVPV-GFCCVEGCSA-N 295.810 3.756 0 40 CHAB CC(=O)c1cc(CCC(=O)Nc2cccc(C)c2C)oc1C 25057200 KRDGWWLUDKIAEA-UHFFFAOYSA-N 299.370 3.979 0 40 CHAB CC(=O)Oc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 1506562 OEIICEKXTCMHPV-UHFFFAOYSA-N 294.306 3.694 0 40 CHAB biogenic c1ccc2c(CNCc3cn4ccsc4n3)csc2c1 69061997 OAINGAQRGAPZJO-UHFFFAOYSA-N 299.424 3.900 0 40 CHAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 57477022 RAZZXJTULSUWSX-UHFFFAOYSA-N 291.354 3.946 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 57541849 NUFBFLBABAIKHH-BDFYUECYSA-N 278.355 3.847 0 40 CHAB Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)C1CC1 8185007 VATHTZZQMIQCTF-QMMMGPOBSA-N 292.429 3.708 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC(C)(C)C 11058961 FZQZVCPZJRKMPZ-UHFFFAOYSA-N 285.391 3.864 0 40 CHAB CCCCN(CC)C(=O)Nc1cc(OC)c(OC)cc1C 48342230 CVQNDCUSRGYVKT-UHFFFAOYSA-N 294.395 3.666 0 40 CHAB CCSc1nnc(-c2cccc(Br)c2)o1 12982665 LQTBONCGEWXIDM-UHFFFAOYSA-N 285.166 3.611 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(F)cc(F)c1 17155554 BJKXXFCGFIOCFG-LBPRGKRZSA-N 289.325 3.716 0 40 CHAB CCC(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 69809153 RHWXCGUOOPBXNE-CQSZACIVSA-N 299.418 3.733 0 40 CHAB NC[C@H](c1ccccc1)C1CCN(Cc2ccccc2)CC1 82729055 BKRLEZAXSDQFGO-HXUWFJFHSA-N 294.442 3.641 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2C)cc1 6336562 FDVYVRGVEVNXMK-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc(C)nc3onc(C)c23)c1 14179585 SXBDMPQGXCSNJJ-UHFFFAOYSA-N 295.342 3.709 0 40 CHAB S=C(NCc1cccc2ccccc12)Nc1cccnc1 4623781 VVOXDWOFCNAZIR-UHFFFAOYSA-N 293.395 3.721 0 40 CHAB COCCN(Cc1nc(-c2cccs2)oc1C)C(C)C 15074550 HAGBAEHCTBTJHC-UHFFFAOYSA-N 294.420 3.568 0 40 CHAB Cc1cccc(C)c1NC(=O)c1ccc(Cl)nc1 15992654 XFQMYYLIQSWMAH-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CC[C@H](C)CNc1ccccc1CN(CC)C(C)=O 95419362 HPZMZTQMQDNUNF-ZDUSSCGKSA-N 262.397 3.513 0 40 CHAB Cc1ccccc1[C@H](N[C@@H](C)c1cnn(C)c1)C1CC1 95967939 BMLPANRPPYCKIC-SUMWQHHRSA-N 269.392 3.530 0 40 CHAB CCc1ccc(OCC(=O)N(C)Cc2ccc(C)cc2)cc1 22526420 PMEGRXQMKXXQNS-UHFFFAOYSA-N 297.398 3.595 0 40 CHAB COc1ccc(-c2nc3c(C)cc(C)cc3[nH]2)c(OC)c1 122362794 WPESLPHUYZVYAV-UHFFFAOYSA-N 282.343 3.864 0 40 CHAB Cc1noc(-c2ccc(O)cc2O)c1-c1ccccc1 5428308 UZUXPZBCKKWSLB-UHFFFAOYSA-N 267.284 3.728 0 40 CHAB biogenic Cc1ccc2nc(C)c(C(=O)Nc3ccccc3Cl)n2c1 71459173 BZYICDKDIIRXNR-UHFFFAOYSA-N 299.761 3.857 0 40 CHAB C[C@H](Cc1ccco1)NC(=O)c1ccc(Cl)c(Cl)c1 33206605 QSVFGLFZMRRNPO-SECBINFHSA-N 298.169 3.947 0 40 CHAB CCOC(=O)c1ccc2[nH]c(-c3ccccc3F)nc2c1 76046170 YULRTSAHHGQIGD-UHFFFAOYSA-N 284.290 3.546 0 40 CHAB CCN1CCC[C@@H]1c1cccnc1SC(C)C 72217532 KUJSNLZMMNYOPE-CYBMUJFWSA-N 250.411 3.739 0 40 CHAB Cc1cc(C)c(C[C@H](Oc2ccccc2)C(=O)O)c(C)c1 225135562 KQRYAPFTTMLRHC-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB O=C(c1ccsc1)N1CCC(c2ccsc2)CC1 75157097 RDXCALYUCUYEFA-UHFFFAOYSA-N 277.414 3.829 0 40 CHAB Cc1cccc(NC(=S)N[C@H]2CCCc3ccccc32)n1 225462733 FADGSBGUVJQPHJ-HNNXBMFYSA-N 297.427 3.754 0 40 CHAB CCN(Cc1sccc1Br)C(C)C 43560086 VWVGMPAQUWKQCI-UHFFFAOYSA-N 262.216 3.741 0 40 CHAB O=C(O)c1cccc(-c2ccccc2)c1OC(F)(F)F 85483105 BRQAJBPTAHMYIJ-UHFFFAOYSA-N 282.217 3.950 0 40 CHAB Cc1cnc(C2(C)CCN(CCC(F)(F)F)CC2)s1 257212948 CFNXVWBWOVRESA-UHFFFAOYSA-N 292.370 3.757 0 40 CHAB COc1cccc(OC)c1C(=O)c1cc(C)c(C)cc1C 95917381 IQUGHKFQEGOAGS-UHFFFAOYSA-N 284.355 3.860 0 40 CHAB Cc1ccc(CN(C)C(=S)Nc2ccccc2)cc1 16315051 HERSVGORGQQHHW-UHFFFAOYSA-N 270.401 3.824 0 40 CHAB COc1cc(OC)cc(C(=O)CCC2CCCC2)c1 168637851 NAQUDBILCHTELP-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB Cc1nc2cc(Br)ccc2n1C(C)C 82619682 WQHFEZKURYIXRR-UHFFFAOYSA-N 253.143 3.688 0 40 CHAB in-vitro C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccoc1 5492540 MSBGXQSDBDHIGV-UPRAQXHNSA-N 297.398 3.710 0 40 CHAB CC(=O)N1c2ccc(-c3cc4ccccn4c3)cc2C[C@H]1C 12235752 ZHLBNEBEKCGOOR-CYBMUJFWSA-N 290.366 3.904 0 40 CHAB CCOC(=O)[C@H]1CC[C@@H]2Nc3c(Cl)cccc3[C@@H]2C1 12336673 ILKXXVKIHTZAIS-GAFUQQFSSA-N 279.767 3.581 0 40 CHAB CCCNCc1ccccc1OCc1ccc(F)cc1 6430989 HJQHSNPBVNCXPT-UHFFFAOYSA-N 273.351 3.904 0 40 CHAB O=C(Cc1cccs1)c1cc(F)ccc1Cl 164389847 DBXBTJVXCOOODT-UHFFFAOYSA-N 254.713 3.966 0 40 CHAB OCc1cc(C(F)(F)F)cc(Br)c1Cl 575679363 WDPOONYOKBNYSJ-UHFFFAOYSA-N 289.478 3.614 0 40 CHAB COc1ccc2cc([C@@H](C)C(=O)OC(C)C)ccc2c1 34429687 KABDXMXJNHRMMO-GFCCVEGCSA-N 272.344 3.904 0 40 CHAB in-vitro CCCn1c([C@@H](C)NC(=O)C(C)(C)C)nc2ccccc21 200783 HWKNDAUKVPFKRD-GFCCVEGCSA-N 287.407 3.670 0 40 CHAB Cc1nc(CSCC(=O)NC2CCCCCC2)cs1 9040033 JLLHANCDTBUAJN-UHFFFAOYSA-N 298.477 3.524 0 40 CHAB CC(C)(C)NC(=S)Nc1cccc(Br)c1 8104277 VSFSXNSZSJGPFV-UHFFFAOYSA-N 287.226 3.534 0 40 CHAB CN(Cc1ccco1)C(=O)CCCc1c[nH]c2ccccc12 21902920 WWQJXMQBXQGLRI-UHFFFAOYSA-N 296.370 3.742 0 40 CHAB COc1ccc(C(=O)c2cc(C)ccc2C)cc1OC 11631654 PDUGLBJVHPNIOY-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB Cc1cc(C)cc(NC(=O)COc2cc(C)cc(C)c2)c1 114891 QZUYXTVSWYKBNM-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CC(=O)Nc1ccccc1SCC(=O)c1ccccc1 581929 QHKNWXJPRYRBRZ-UHFFFAOYSA-N 285.368 3.620 0 40 CHAB Cc1cc(C(=O)NC2CCCCC2)c2cc(F)ccc2n1 920331 GPNIQDOZGUKXSR-UHFFFAOYSA-N 286.350 3.745 0 40 CHAB CC(=O)Nc1ccc2c(c1)Cc1cc(Cl)ccc1-2 1693089 RRUOVJWXBAAYIP-UHFFFAOYSA-N 257.720 3.870 0 40 CHAB C[C@@H]1CC(C(O)(C(=O)O)C2C[C@H](C)C[C@@H](C)C2)C[C@H](C)C1 1710790 XELKVMBMOPGCFY-XMZKVFKBSA-N 296.451 3.947 0 40 CHAB Cc1ccc(C)c(NC(=O)C2(c3ccccc3)CC2)c1 2654344 BGOSFCDYEBABLR-UHFFFAOYSA-N 265.356 3.974 0 40 CHAB CC1(C)C(=O)[C@]2(C(=O)Nc3ccc(Cl)cc3)CC[C@H]1C2 352951 MOTMTBSQXPJLGU-QFYYESIMSA-N 291.778 3.674 0 40 CHAB COc1ccccc1CCC(=O)c1ccccc1OC 2516444 XFILYPFYHNSXGT-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB Cc1cccnc1NC(=O)[C@@H](C)Sc1ccccc1 32721872 FIXWHAJNBLEAGI-GFCCVEGCSA-N 272.373 3.509 0 40 CHAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)c1ccccc1F 21557175 IEPTUXXGNZWBHR-JTQLQIEISA-N 290.338 3.737 0 40 CHAB C[C@H]1CCCN([C@H](CN)c2cc(Cl)cc(Cl)c2)C1 108350031 FNAYOLSGFCLSAS-IINYFYTJSA-N 287.234 3.725 0 40 CHAB COCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 32904614 FCWIWKJYSMPEET-UHFFFAOYSA-N 281.311 3.685 0 40 CHAB CCOc1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 2623121 FRFHUDZSUIPTJX-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB Cc1cc(C(=O)N[C@H](C)c2cccc3ccccc23)on1 23079874 MDQPOESLKHWTNW-GFCCVEGCSA-N 280.327 3.627 0 40 CHAB NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 20158798 HTUGZRWXFUEXME-UHFFFAOYSA-N 285.397 3.619 0 40 CHAB CC[C@H](O)[C@@H](OC)n1c2ccccc2c2ccccc21 1271890 LFPIWXUJCHMLHC-DLBZAZTESA-N 269.344 3.710 0 40 CHAB O=C1CCCc2ccccc2N1Cc1ccccc1 1392702 HLKHTLWDRXPRRV-UHFFFAOYSA-N 251.329 3.556 0 40 CHAB COCc1cc(SCc2ccc(Cl)cc2)nc(C)n1 1389084 AWITWNZEMGCJNE-UHFFFAOYSA-N 294.807 3.877 0 40 CHAB O=C(CCc1ccccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2 65363467 DUQJWIPSEZYZQQ-LNSITVRQSA-N 277.795 3.577 0 40 CHAB Nc1onc(-c2cccs2)c1Cc1ccccc1 26512642 MHSMITRFBZJQLR-UHFFFAOYSA-N 256.330 3.576 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccccc2F)cc1 10434071 PAKGZJPIQRQKHT-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB Cc1cccc(-c2noc(-c3ccc(C)c(N)c3)n2)c1 21790333 GROWTTNZRQDQLI-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB O=C(NCC1CC1)c1sc2ccccc2c1Cl 57547498 DPGCPRCVLZBJKB-UHFFFAOYSA-N 265.765 3.695 0 40 CHAB Cc1cc2nc(N3CCCC[C@@H]3C)c3ccccc3n2n1 7779969 AKMDAGFQGTZWED-ZDUSSCGKSA-N 280.375 3.570 0 40 CHAB Cc1cc(NC(=O)CS[C@H](C)c2ccc(F)cc2)no1 45090891 JBUUSUIVTRVGJO-SNVBAGLBSA-N 294.351 3.555 0 40 CHAB O=C(Nc1nc2ccccc2s1)[C@H]1CC=CCC1 7767663 LWCHIPFGIRLERF-JTQLQIEISA-N 258.346 3.591 0 40 CHAB CCN(C(=O)c1sc(C)nc1C)c1ccccc1C 58641511 AQGXQQFUBQDJSE-UHFFFAOYSA-N 274.389 3.735 0 40 CHAB FC(F)Oc1ccc(NC(=S)NC2CCCC2)cc1 3301790 ZVRZYANINDRLTG-UHFFFAOYSA-N 286.347 3.517 0 40 CHAB C[C@H]1CCCN(Cc2cc(-c3cccs3)on2)C1 48374201 WYSKBNRMMKGVDI-NSHDSACASA-N 262.378 3.635 0 40 CHAB COc1ccccc1C(=O)Nc1ccc(C)cc1Cl 3431947 RHBIMHYXZQSGSH-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB Cc1cc([C@@H](C)NC(=O)c2cc(N)ccc2C)c(C)s1 49503769 IXDCZGAWBJRWKE-LLVKDONJSA-N 288.416 3.747 0 40 CHAB Cc1ccc(NC(=O)c2c(C)noc2C)c(Cl)c1 5637130 RFXLNZHBNCGLKP-UHFFFAOYSA-N 264.712 3.506 0 40 CHAB CCc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 4864114 QYGZNFDKZNPDRS-UHFFFAOYSA-N 282.368 3.611 0 40 CHAB Cc1ccc2c(C(=O)CN3CCC[C@H](C)C3)c(C)[nH]c2c1 4871834 BPKDNISJDFGUFK-ZDUSSCGKSA-N 284.403 3.699 0 40 CHAB CCCCCNC(=O)[C@@H](CC)Oc1ccccc1Cl 20486433 ZVFANGBJMNRGSP-CYBMUJFWSA-N 283.799 3.804 0 40 CHAB C[C@@H](NC(=O)/C=C/c1cccs1)c1cccs1 9447409 WANVIPZLQJVPJJ-VQCYPWCPSA-N 263.387 3.700 0 40 CHAB CCN(C(=O)CSc1nc(C)c(C)o1)C1=CCCCC1 71805670 CHBQOYMCRJARKB-UHFFFAOYSA-N 294.420 3.690 0 40 CHAB C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(F)cc1 97037036 ISLLPFFAZGQQSP-KDOFPFPSSA-N 299.393 3.543 0 40 CHAB Cc1nc(SCc2ccc(-n3cccn3)cc2)oc1C 73421139 XWXUCPARCDLSMC-UHFFFAOYSA-N 285.372 3.769 0 40 CHAB CN1CCCC[C@@H]1c1cccnc1NC1CCCCC1 72214032 IPXXQBCSVKDNDW-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB CCCCNC(=O)[C@@H](CC)Oc1cccc2ccccc12 38754523 SYBWCEQBWOHCLS-MRXNPFEDSA-N 285.387 3.914 0 40 CHAB CCCSCC(=O)c1ccc(Br)cc1 36180150 HJACCGBDROIFJH-UHFFFAOYSA-N 273.195 3.775 0 40 CHAB Cc1ccncc1[C@@H]1CCCN1Cc1ccccc1 72211387 SLWSFWBQMBDCQU-KRWDZBQOSA-N 252.361 3.727 0 40 CHAB Cc1ccccc1NC(=O)c1ccn(C2CCCC2)n1 32648458 LOLKNFFKOLHYMO-UHFFFAOYSA-N 269.348 3.559 0 40 CHAB Clc1cccc(-c2cccc([C@@H]3CCCNC3)n2)c1 72343727 FUCOJBFSHWXOIF-CYBMUJFWSA-N 272.779 3.869 0 40 CHAB Cc1cccc(NC(=O)NCCc2ccccc2F)c1C 40095318 DYRVMNZPQRYQCN-UHFFFAOYSA-N 286.350 3.807 0 40 CHAB COc1ccc(CCC(=O)Nc2ccc(F)cc2)cc1C 224634884 RGYQZVQQFIQRTO-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB O=C1c2ccccc2CN1c1ccc(-n2cccc2)cc1 226246312 BMAYUWLSDYAZHY-UHFFFAOYSA-N 274.323 3.638 0 40 CHAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCCC1)CC(C)(C)O2 225273751 ULCFWHRERJBWBX-OAHLLOKOSA-N 287.403 3.904 0 40 CHAB CC[C@@H](NN)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 199535948 INDPVIFLKGYXEG-SECBINFHSA-N 286.219 3.639 0 40 CHAB CC(=O)Nc1ccc2nc(-c3ccc(C)cc3)oc2c1 95117834 KEMQICRTZWFWHD-UHFFFAOYSA-N 266.300 3.762 0 40 CHAB CO[C@@H](C)c1nc(CNc2ccc(F)c(F)c2)cs1 95412860 ACGIOIJXAQGJMV-QMMMGPOBSA-N 284.331 3.741 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@H]2C(=O)CCC[C@H]12 5103720 LLKGFONIEWUPGG-QYCBIHJGSA-N 290.447 3.959 0 40 CHAB Cc1ccc2[nH]c(=O)c(CNc3ccccc3C)cc2c1 12492437 VMBRIQMHPSFGCO-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1N 19474310 WOILSYOIRGPRAL-UHFFFAOYSA-N 266.300 3.576 0 40 CHAB O=C(CCC1CCCC1)OCC(=O)c1c[nH]c2ccccc12 6229887 FUITXSIJJNWLAW-UHFFFAOYSA-N 299.370 3.864 0 40 CHAB C[C@H]1C(O)[C@H](C)[C@H](c2cccs2)N[C@H]1c1cccs1 239562559 CPNYMZKNSCYTRC-DMTCVQMQSA-N 293.457 3.828 0 40 CHAB CCOc1cc(CNC(C)C)ccc1O[C@@H](C)CC 34815849 VQHCHFLEDUTIFL-ZDUSSCGKSA-N 265.397 3.761 0 40 CHAB Nc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1 48814620 QQLGTKRBYZUILD-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB O=C(Cc1cc(-c2ccccc2)on1)Nc1ccccc1F 12422125 BGMHSHODIOWDLG-UHFFFAOYSA-N 296.301 3.662 0 40 CHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2N 12658405 WDTAJXMIXADUTH-CUZKMJQKSA-N 291.479 3.717 0 40 CHAB biogenic C[C@H]1CCC[C@@H](NC(=O)CCc2ccccc2Cl)C1 40069705 JOUIEIACLFJSAZ-GXTWGEPZSA-N 279.811 3.968 0 40 CHAB CC[C@H](N[C@@H](C)[C@@H]1CCCO1)c1cccc(Cl)c1 20206768 QODXJDMWWUXMEG-CQDKDKBSSA-N 267.800 3.948 0 40 CHAB CSc1nc(-c2ccccc2)nc2c1CCCC2 197370 KOHHEOHEAJTJHI-UHFFFAOYSA-N 256.374 3.744 0 40 CHAB CS[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 31684975 XWDDUYIRFUEPEU-SECBINFHSA-N 257.786 3.647 0 40 CHAB O=C(O)c1c2ccccc2nn1[C@H]1CCCc2ccccc21 36714043 PHBVFAFYPLRGRS-INIZCTEOSA-N 292.338 3.660 0 40 CHAB Cc1ccc(C)c(C(=O)c2ccccc2CN2CCC2)c1 2515617 JVTNMJPIMFKLEF-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB Cc1ccc(Nc2nc(-c3ccccn3)cs2)nc1 813404 NLTBDRJUWFAPRU-UHFFFAOYSA-N 268.345 3.652 0 40 CHAB Cn1c([C@H](O)c2ccc(Cl)cc2)cc2ccccc21 2035646 BHWNYGJMEYIVSL-MRXNPFEDSA-N 271.747 3.913 0 40 CHAB Cc1cc(CN(C)C(=O)c2cc(Cl)ccc2Cl)no1 25139604 ITDGXOVCSFIHLQ-UHFFFAOYSA-N 299.157 3.562 0 40 CHAB CCOC(=O)N(C)c1ccc(NC(=O)CC(C)(C)C)cc1 54313158 FMSQZROQMYUWND-UHFFFAOYSA-N 292.379 3.654 0 40 CHAB O[C@@H](CNCc1cccc(Cl)c1Cl)c1ccccc1 16477517 OMKRNUKEFZQQSY-AWEZNQCLSA-N 296.197 3.817 0 40 CHAB Fc1cccc2c1[nH]c(=S)n2CCOc1ccccc1 42897242 DUPVMEFGLPYYAX-UHFFFAOYSA-N 288.347 3.917 0 40 CHAB in-vitro CCC(=O)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1 55512711 CXQSAUNZMQADQM-UHFFFAOYSA-N 297.185 3.769 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cnn(-c2ccccc2)c1 64580891 IGXBMCWBPMPSCA-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3nccs3)no2)cc1C 27582549 BLCUPTCOACWUSM-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB C[C@H]1CCCN(C(=O)Nc2cccc(OC(F)F)c2)C1 44950118 OAXLSZYGIHEDFT-JTQLQIEISA-N 284.306 3.552 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc2c(c1)OCO2 3369351 FQRJJMIUDWZEGS-XGICHPGQSA-N 299.713 3.561 0 40 CHAB Cc1ccc(-c2csc(-c3cnccn3)n2)cc1 62580636 RZPOSSBXOLOJDI-UHFFFAOYSA-N 253.330 3.576 0 40 CHAB CC[C@@H](C)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 12984717 KCNPSZJONWPSRG-CYBMUJFWSA-N 284.403 3.920 0 40 CHAB CCCCCC[C@]1(C)NC(=S)N(c2ccc(C)cc2)N1 3668066 AOVSBDMUJYLOMN-MRXNPFEDSA-N 291.464 3.881 0 40 CHAB Cc1ccc(-c2ccnc(-c3ccc(O)cc3)n2)cc1 13125632 VDFQHZOBBWXIHT-UHFFFAOYSA-N 262.312 3.825 0 40 CHAB CCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 14125081 HLBYRIYPCDHPAE-UHFFFAOYSA-N 283.249 3.715 0 40 CHAB CC(C)(C)NC(=O)CSC1=Nc2ccccc2CS1 6588167 UIKGRQBBSSILGU-UHFFFAOYSA-N 294.445 3.569 0 40 CHAB Cc1ccc(Nc2ncnc3sccc23)cc1F 6510190 HRJYGTXXKHXIGF-UHFFFAOYSA-N 259.309 3.882 0 40 CHAB CC(=O)c1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12 5532278 NSDJNMWFQYNAQU-UHFFFAOYSA-N 295.313 3.820 0 40 CHAB Cc1cc(C)c(NC(=O)[C@H]2CC2(Cl)Cl)c(C)c1 9218435 IBTOSUAPXHZHSR-SNVBAGLBSA-N 272.175 3.744 0 40 CHAB CC[C@H](O)CCNC(=O)N(c1ccccc1)c1ccccc1 96007758 GFCWTJCKNVVSCS-KRWDZBQOSA-N 298.386 3.695 0 40 CHAB Cn1cc(CCCC(=O)Nc2ccccn2)c2ccccc21 72402787 XTXSIFNENNAMRV-UHFFFAOYSA-N 293.370 3.535 0 40 CHAB CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccnc(Cl)c1 78933902 VXQWCOKZQARMKH-YPMHNXCESA-N 280.799 3.776 0 40 CHAB O=C(O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl 79897973 SUHSOPNQXDUJFM-KOLCDFICSA-N 275.131 3.546 0 40 CHAB in-vitro O=[S@@](Cc1cc(-c2ccccc2)no1)CC1CCCC1 95986504 DNIVZTLYEMBGKH-FQEVSTJZSA-N 289.400 3.781 0 40 CHAB CC(C)(C)C[C@H]1CCCN1Cc1ccc2c[nH]nc2c1 512388874 ASCBLWHMPJSNFU-OAHLLOKOSA-N 271.408 3.964 0 40 CHAB COc1ccc2nccc(Nc3ccc(C(=O)O)cc3)c2c1 78401506 KHTKNGUYXRMDGP-UHFFFAOYSA-N 294.310 3.685 0 40 CHAB N[C@@H](c1ccccc1)c1ccc(N2CCCCCC2)nc1 72225478 NUQLBPUUHBXNEG-SFHVURJKSA-N 281.403 3.510 0 40 CHAB CCCNC(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225771160 MFRJKNKIGPUBPV-AWEZNQCLSA-N 290.407 3.778 0 40 CHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C)c1 225619753 DTEJGHYJUCNWQS-MRXNPFEDSA-N 279.380 3.537 0 40 CHAB Cc1ccsc1C(=O)Nc1ccc(-c2cnco2)cc1 133093730 AORRQHWAGAXFRT-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)C(C)C 225217982 VOMVGIXNNLTEMI-CABCVRRESA-N 277.408 3.622 0 40 CHAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(Cl)cc1 222562904 LDQXDQURANPRFO-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB COc1ccc(CC(=O)N[C@H](C)c2ccccc2C)cc1C 224857501 KMHNDWQTSCRJOT-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)cc1 225737246 VRJRTTVMDSTNJQ-INIZCTEOSA-N 279.380 3.619 0 40 CHAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C)cc2)c1 44845736 MMQKHYUUKZBUEW-ZDUSSCGKSA-N 299.370 3.503 0 40 CHAB CCc1ccc([C@@H]2CCCN2Cc2nnc(C(C)C)o2)o1 96410348 ZIFIVUAWAOSZLZ-ZDUSSCGKSA-N 289.379 3.686 0 40 CHAB Cc1ccsc1[C@H](C)N[C@@H]1CCO[C@]2(CCSC2)C1 90542802 AALXTSRXEOVSJP-GZBFAFLISA-N 297.489 3.762 0 40 CHAB C[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 5180211 TXMVTHIUMYZPPG-NSHDSACASA-N 267.332 3.612 0 40 CHAB CCCCSCC(=O)Nc1ccc(OCC)cc1 5707917 VEWGIEZBMVVDTM-UHFFFAOYSA-N 267.394 3.557 0 40 CHAB CCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 5898253 DLWZQPVPSMYGCG-DHZHZOJOSA-N 281.764 3.786 0 40 CHAB O=C(O)/C=C/c1ccc(Oc2ccc(F)cc2)cc1 11894928 WESGDCQCHIRDMG-XCVCLJGOSA-N 258.248 3.716 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc(F)cc1 13671596 QRSIWXHLDLTFIL-YKWSONSWSA-N 281.330 3.817 0 40 CHAB CCCCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708546 FGHJFTUQQIMLJA-AWEZNQCLSA-N 285.387 3.914 0 40 CHAB Cc1ccsc1CN(Cc1cccs1)C[C@H](C)O 13991349 LAEMBVJICWTPIR-LBPRGKRZSA-N 281.446 3.501 0 40 CHAB CC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 14268876 AGIBDFLIRCSHHB-UHFFFAOYSA-N 266.772 3.535 0 40 CHAB CCC(=O)NC(=S)N(c1ccccc1)c1ccccc1 16609810 IYXWAXLIHBFFJF-UHFFFAOYSA-N 284.384 3.636 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1ccc2scnc2c1 10217655 YEMRAZLTHIVPAG-UHFFFAOYSA-N 286.331 3.617 0 40 CHAB CCc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 486829 VYUASUSSLAJGHR-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB C[C@H]1Cc2ccccc2N1CCC(=O)Nc1ccc(F)cc1 59370430 CLECWHSYENATDW-ZDUSSCGKSA-N 298.361 3.606 0 40 CHAB COc1ccc2[nH]c(-c3ccccc3)c(C=O)c2c1 1409241 LTVWNXUFHGJJDI-UHFFFAOYSA-N 251.285 3.656 0 40 CHAB O=C(CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(F)cc1 4934815 IBZZHWLMRZEEDI-KBPBESRZSA-N 275.367 3.521 0 40 CHAB O=C(c1ccco1)N(Cc1cccs1)c1ccccn1 11916552 GMBYBHGITXPXAU-UHFFFAOYSA-N 284.340 3.583 0 40 CHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]1[C@@H]1CC[C@@H]2C1 101261774 GIXJWQWFZRJSRT-SQAZNUMISA-N 281.446 3.625 0 40 CHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H]1C[C@H]1C 23646451 REKBCAZUUOEUIK-RHSMWYFYSA-N 287.447 3.916 0 40 CHAB CCn1c(SCc2ccccc2)nnc1C(C)C 20034369 JRQSDMITBRZCCK-UHFFFAOYSA-N 261.394 3.714 0 40 CHAB O=C(O)CCC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100243611 FRKSRQAWMIEBEW-WPMGSTCASA-N 287.197 3.585 0 40 CHAB O=C(NCCc1cccs1)c1cccc(-n2cccc2)c1 12534813 NHSWPKAYBCZPQO-UHFFFAOYSA-N 296.395 3.511 0 40 CHAB O=C(Nc1ccccc1-n1cccn1)NC1CCCCCC1 48152320 CVAYWCPCTKOACG-UHFFFAOYSA-N 298.390 3.717 0 40 CHAB Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 3410468 UAKWYWDQVUOVQB-UHFFFAOYSA-N 275.355 3.610 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2ccccc2Cl)o1 12978862 HEQOFOWFVDVOSO-JTQLQIEISA-N 263.724 3.732 0 40 CHAB Cc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 38855405 ULORBDMEFAYHRJ-XYJFISCASA-N 274.404 3.702 0 40 CHAB biogenic,in-vitro CC(C)c1ccc2c(c1)C(=O)c1ccccc1CO2 4107655 NFSZGAMTRBGSAF-UHFFFAOYSA-N 252.313 3.933 0 40 CHAB CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5467694 CACPCHOMMQXGKX-BDAKNGLRSA-N 290.190 3.675 0 40 CHAB CCc1ccc2nc(NC(=O)c3ccccn3)sc2c1 14794422 ZUONVRDDOCJKKH-UHFFFAOYSA-N 283.356 3.506 0 40 CHAB Cc1nc([C@@H](C)NC(=O)N(C)C2CCC(C)CC2)cs1 72271613 OCGWOWUYCXABNF-QWKFWESOSA-N 295.452 3.733 0 40 CHAB Clc1ccc(Br)cc1OCC1CC1 78522960 BXBDEWVVPGLXKF-UHFFFAOYSA-N 261.546 3.891 0 40 CHAB Cc1cnc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)o1 95985744 PCJOFXHPTRKLID-AWEZNQCLSA-N 293.370 3.896 0 40 CHAB CCO[C@H]1C[C@@H](NCc2cccc(OC)c2)C12CCCC2 85679966 OBCFGXJHXMMKAL-SJORKVTESA-N 289.419 3.523 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1 72211004 JSPUENYCYLFJRH-MRXNPFEDSA-N 282.343 3.555 0 40 CHAB Cc1ccc(C(=O)Oc2c(C)cc(C(=O)O)cc2C)cc1 216726728 MYGZNMYOMIHENU-UHFFFAOYSA-N 284.311 3.529 0 40 CHAB Cc1ccccc1-c1cc(-c2ccccc2)nc(N)n1 71978073 MANGOHCXSKPRPG-UHFFFAOYSA-N 261.328 3.701 0 40 CHAB COC(=O)C1CCC(c2ccc(Cl)cc2)CC1 44830666 ROHLQNZWNPRZDC-UHFFFAOYSA-N 252.741 3.787 0 40 CHAB COC(=O)[C@H](C)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223192657 YGJHPKSBIURIQA-NSHDSACASA-N 293.794 3.903 0 40 CHAB CC(C)CC(=O)Nc1cc(N)ccc1N1CCCC[C@H]1C 226253640 VHKSFYPAOIHQOW-CYBMUJFWSA-N 289.423 3.632 0 40 CHAB Cc1nn(C2CCCC2)cc1CNc1cnn(C(C)C)c1 256052541 NTBVGSLXJWYBCW-UHFFFAOYSA-N 287.411 3.696 0 40 CHAB CCn1c(NC(=O)c2ccc(F)s2)nc2ccccc21 252506019 VWIWBTVTIKSJIY-UHFFFAOYSA-N 289.335 3.509 0 40 CHAB C[C@H](NC(=S)Nc1ccccc1)c1ccc(F)cc1 16316003 FTAPCXPJYLHSGB-NSHDSACASA-N 274.364 3.873 0 40 CHAB Cc1cccc(NC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 102588762 LMBPCPDQHYOTBR-RZLSGREXSA-N 272.392 3.941 0 40 CHAB O=C1c2ccccc2-c2c(Br)cc(F)cc21 1772490926 MBVZLNZGKHTXSP-UHFFFAOYSA-N 277.092 3.800 0 40 CHAB Cc1ccc(C(=O)Nc2ncc3c(Cl)cccc3n2)cc1 5413577 GUTOYKFSZFIURS-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)NC2CCCC2)c1 5542649 YCSHWBDYXJGXMM-UHFFFAOYSA-N 275.392 3.556 0 40 CHAB CCc1nc(C)cn1C(=S)Nc1ccccc1Cl 16162535 MPQAMISMMLKFFJ-UHFFFAOYSA-N 279.796 3.652 0 40 CHAB CCN(CC)CCOc1ccc2c(c1)C(=O)c1ccccc1-2 1668207 LOQNPEFJQXRRJK-UHFFFAOYSA-N 295.382 3.619 0 40 CHAB in-vitro Cc1ccc(C)c(-c2csc(NC(=O)c3ccno3)n2)c1 10253823 YTCBFCZZDRFLDJ-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1 21695483 GKIRRBKZTAYKHU-CYBMUJFWSA-N 283.346 3.735 0 40 CHAB CSCCC(=O)c1ccc(OC(F)(F)C(F)F)cc1 575361233 UFROSDPAQLUIPQ-UHFFFAOYSA-N 296.285 3.859 0 40 CHAB CC[C@@H]1CCCCN1CCCOc1ccc(C=O)cc1 8731533 FFJLQVVISDKCDX-MRXNPFEDSA-N 275.392 3.533 0 40 CHAB CSc1ccccc1NCc1nc(-c2ccco2)no1 40057072 TXVNJMRWAJRNLW-UHFFFAOYSA-N 287.344 3.664 0 40 CHAB CCOC(=O)c1c(C)csc1NC(=O)c1cccs1 80448 VCXKZPGQGFJIOP-UHFFFAOYSA-N 295.385 3.547 0 40 CHAB COc1ccc(-c2csc3nc(C4CC4)[nH]c(=O)c23)cc1 50186613 MXKWMVRJFXMHPP-UHFFFAOYSA-N 298.367 3.538 0 40 CHAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)C1CCC1 7723900 OITLFMTZKIRCLM-UHFFFAOYSA-N 294.326 3.827 0 40 CHAB CC[C@@H](C)NC(=O)Cc1coc2c(C)c(C)ccc12 17321737 BWOUFGAZTQZUKN-LLVKDONJSA-N 259.349 3.507 0 40 CHAB COc1ccc2nc([C@H]3CCCC[C@H]3C(=O)O)cc(C)c2c1 1595923 KIIOLKMSTZNPFU-UONOGXRCSA-N 299.370 3.910 0 40 CHAB CCCCC[C@@H](Oc1ccc(Cl)cc1)C(=O)O 1628217 BGXDMDDPHYFROP-GFCCVEGCSA-N 256.729 3.752 0 40 CHAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 2757142 CJICTRADXDCONA-UHFFFAOYSA-N 299.399 3.762 0 40 CHAB Cc1ccc(NC(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 6922939 PEFGLBUQBGPATL-BFHYXJOUSA-N 258.365 3.553 0 40 CHAB C[C@H](Nc1ncnc2sc3c(c12)CCC3)c1ccccn1 8053805 COZWMYLYJVSAAR-JTQLQIEISA-N 296.399 3.748 0 40 CHAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)on2)cc1 32833017 PHCLCJHGZHALCU-UHFFFAOYSA-N 284.359 3.713 0 40 CHAB CCC[C@H](C)NC(=O)Cc1csc(-c2cccs2)n1 9114301 NXGSLTWTPSFAQY-JTQLQIEISA-N 294.445 3.719 0 40 CHAB COc1ccc(-c2cc(Cl)nc(-c3cccnc3)n2)cc1 58044005 HCMMWLLMUIVQQW-UHFFFAOYSA-N 297.745 3.868 0 40 CHAB Nc1cc(-c2ccccc2Br)cs1 106982995 XEOITOGOULCCSY-UHFFFAOYSA-N 254.152 3.760 0 40 CHAB CC[C@H](C)c1ccc(OC[C@@H]2CCNC2)c(Cl)c1 42770838 NVBHDMFJYNJPOP-NWDGAFQWSA-N 267.800 3.842 0 40 CHAB COc1ccccc1C1=N[C@@H](c2ccc(F)cc2)N=C1C 1386252 GZHJDXCKHQLJST-KRWDZBQOSA-N 282.318 3.797 0 40 CHAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)Nc1ccccc1 58174537 KSUZXULANVIHLM-AWEZNQCLSA-N 297.402 3.505 0 40 CHAB CCc1sc(C(=O)Nc2nc(C)cs2)cc1C 3323211 JSORPOBXBHIXLE-UHFFFAOYSA-N 266.391 3.636 0 40 CHAB Cc1cc(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)ccc1F 16738462 AGAHXZNZDCBNEG-KBPBESRZSA-N 298.313 3.849 0 40 CHAB Fc1cccc(CSc2nc(-c3cccs3)n[nH]2)c1 8230652 YNONZBRIUPAYCB-UHFFFAOYSA-N 291.376 3.965 0 40 CHAB Cc1ccccc1SCc1nnc(C2CCC2)o1 69702071 ONKVCODCZUKMGT-UHFFFAOYSA-N 260.362 3.938 0 40 CHAB CCCc1c(SCC(=O)O)nc2ccccc2c1C 4869726 BLRNITKOOSVKHC-UHFFFAOYSA-N 275.373 3.672 0 40 CHAB Cc1ccc(-c2noc(-c3cc(C(C)C)n[nH]3)n2)cc1 9638107 ZNFJCKNDYZIEGM-UHFFFAOYSA-N 268.320 3.559 0 40 CHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccccc2)c1 32779579 XSAIANVQBUWYKA-GFCCVEGCSA-N 297.358 3.528 0 40 CHAB N[C@@H]1C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 70453059 GWTLKBGRQVGFTJ-GHMZBOCLSA-N 267.250 3.780 0 40 CHAB COc1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1 215902389 UHUKBGMEWLHOMM-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB C[C@H]1C[C@@H](C)CN(CCCCOc2ccc(C=O)cc2)C1 217794098 HAEDRGRMWFMHCG-IYBDPMFKSA-N 289.419 3.636 0 40 CHAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(F)cc1 212262974 OFNHIOKKOUNWMH-KBPBESRZSA-N 295.398 3.926 0 40 CHAB Cc1cccc2cc(C(=O)N3CCc4ccccc4C3)oc12 139439144 DDCMUDPZDFKTDP-UHFFFAOYSA-N 291.350 3.940 0 40 CHAB COc1ccc(C(=O)NCc2ccccc2C)cc1Cl 223509606 ZQIXYRPWBQUWJA-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB CN(Cc1ccccc1)Cc1ncc(-c2ccccc2)o1 48418619 FTJBVKKOBYYWRJ-UHFFFAOYSA-N 278.355 3.974 0 40 CHAB CC[C@H](C)NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 223827315 NAQBWLVRLYVERG-GUYCJALGSA-N 289.419 3.638 0 40 CHAB COc1ccc(CCC(=O)Nc2ccccc2F)cc1C 224921707 RCKHPPHUXJUGFQ-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NC2CCCCC2)c1 13710130 DEYTTWIUIVQVRO-AWEZNQCLSA-N 275.392 3.520 0 40 CHAB COC(=O)c1ccc(Cc2ccc(C)cc2)n1C(C)C 226029738 YVQOIOIHNCHZCG-UHFFFAOYSA-N 271.360 3.755 0 40 CHAB Cc1ccc(NC(=O)c2cc(C)n(C)c2C)cc1C 339575929 VBMNYQBNWKJNMD-UHFFFAOYSA-N 256.349 3.511 0 40 CHAB NC1(c2cc3ccccc3cc2Br)CC1 575628845 DCXNJOKFIAGKSL-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB Cc1ccc(NC(=O)c2ccccc2O)cc1Cl 5618179 XOYCLBPOKLASSU-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB Fc1ccc(-c2cc([C@@H]3CCCCCN3)on2)cc1 12133658 JQHVNJVSGSWEJX-ZDUSSCGKSA-N 260.312 3.685 0 40 CHAB C[n+]1c(/C=C\C=C\c2ccccc2)oc2ccccc21 17157667 DRZBHELREJXBBS-OWBBHAKYSA-N 262.332 3.984 0 40 CHAB CCCCCNC(=O)/C=C/c1ccccc1Cl 5502697 NJBBHEQQBGUSAD-MDZDMXLPSA-N 251.757 3.660 0 40 CHAB Nc1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1 6444735 DXHHQXNJULVHPN-FPYGCLRLSA-N 269.735 3.969 0 40 CHAB COc1ccc(CO)cc1OCc1cccc2ccccc12 21305235 JYMDHNDKFUEBBF-UHFFFAOYSA-N 294.350 3.920 0 40 CHAB Cc1ccc(NC(=O)c2cc(C3CC3)ncn2)cc1Cl 1888863863 NKXVJHSIYBYBRA-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB COc1ccc2c3c(ccc2c1)[C@H]1CC(=O)C[C@H]1CC3 1701625 HBBSTQBIUPTJSZ-ZMZPIMSZSA-N 266.340 3.857 0 40 CHAB CCCC(=O)Nc1ccccc1S[C@H](CCC)C(=O)O 8732823 AAADDHRNNAXANB-CYBMUJFWSA-N 295.404 3.771 0 40 CHAB COc1ccc(C(=O)CSc2nc3ccccc3o2)cc1 193942 MICONSZIEWPVAG-UHFFFAOYSA-N 299.351 3.811 0 40 CHAB CCN[C@H](C)CCCCOc1cccc2c1OC(C)(C)C2 45615072 NAVIFKDSHOZYDV-CQSZACIVSA-N 291.435 3.947 0 40 CHAB in-vitro O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)CO1 1557245 CZSLBTQCKZWPSN-JKSUJKDBSA-N 252.313 3.501 0 40 CHAB Cc1cc(COc2ccc(Cl)c3c2C(=O)C[C@@H]3C)no1 46111055 QCTLFVHDGVRTPB-QMMMGPOBSA-N 291.734 3.905 0 40 CHAB C[C@@H](NC(=O)c1cccs1)c1ccc(Cl)s1 32038997 XUISDDKTIRKMHR-SSDOTTSWSA-N 271.794 3.954 0 40 CHAB Nc1ccc(/C=C\c2ccnc3ccccc23)c(N)c1 4821954 CDOBUXAOEVPRNM-WAYWQWQTSA-N 261.328 3.570 0 40 CHAB CC(C)c1ccc(C(=O)NCCc2cccc(F)c2)cc1 7122832 GLDWJLFGDDUSCF-UHFFFAOYSA-N 285.362 3.922 0 40 CHAB CSc1nc(Cl)c2oc(-c3ccccc3)nc2n1 41154732 WOXYBZVVWCUOFL-UHFFFAOYSA-N 277.736 3.660 0 40 CHAB O=C(COc1ccccc1-c1ccccc1)N1CCCCC1 32958264 XEXRXOGMLNERHG-UHFFFAOYSA-N 295.382 3.745 0 40 CHAB Cc1nnc(NC(=O)/C=C/c2ccc(C(C)C)cc2)s1 2773356 DFIJETKQNGALGT-RMKNXTFCSA-N 287.388 3.622 0 40 CHAB Cc1cccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 570295 XCFOMALCFPDSKY-UHFFFAOYSA-N 296.370 3.842 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2)cc1C 55731640 DAFKPQOIUKVWCY-HNNXBMFYSA-N 283.371 3.501 0 40 CHAB CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 2774439 FNZYFOACEQKRGE-GZBFAFLISA-N 275.392 3.640 0 40 CHAB Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O 936999 GGNFHXDWBNADFL-UHFFFAOYSA-N 292.363 3.815 0 40 CHAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 108929059 MXNXUGZLEBGSEG-FRRDWIJNSA-N 294.826 3.645 0 40 CHAB COc1cccc(NC(=O)C2[C@H]3CC/C=C/CC[C@@H]23)c1 101513037 WDAXOBKVWURYGP-BISSQIIJSA-N 271.360 3.626 0 40 CHAB CNc1nc2c(s1)[C@@H](c1cccc(Cl)c1)CC(O)=N2 61720255 MCQGDMOPBKUXFC-SECBINFHSA-N 293.779 3.962 0 40 CHAB CCCCc1nnc(NC(=O)c2ccccc2Cl)s1 10214297 SBBVJPFXYGYNDB-UHFFFAOYSA-N 295.795 3.786 0 40 CHAB Cc1noc(C)c1NC(=O)c1cccc2ccccc12 58329887 VKXDQDQICBMGTQ-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CC1CCN(CC(=O)c2cccc(C(F)(F)F)c2)CC1 3357073 UOFAIZIQHDCOAA-UHFFFAOYSA-N 285.309 3.620 0 40 CHAB CCCCCNC(=O)[C@H](CC)Oc1ccccc1Cl 20486436 ZVFANGBJMNRGSP-ZDUSSCGKSA-N 283.799 3.804 0 40 CHAB CC(C)c1ccc(Cn2c(=O)oc3ccccc32)cc1 13008140 MMOVEPVWEDDLKO-UHFFFAOYSA-N 267.328 3.766 0 40 CHAB S=C(Nc1cccc(Cl)c1)Nc1ccccn1 13223150 KJWFTVWWEOPVBZ-UHFFFAOYSA-N 263.753 3.544 0 40 CHAB CC[C@H]1C[C@H]2CCN1[C@@H]([C@@H](O)c1ccnc3ccccc13)C2 17185307 YGSPYMMGHMAUNZ-CFGMGRTJSA-N 296.414 3.531 0 40 CHAB CO[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCCc2ccccc21 4670554 NTTAACPSKCBGQB-IEBWSBKVSA-N 293.366 3.865 0 40 CHAB Cc1ccccc1Oc1ncccc1CNC(=O)C1CCC1 15080436 RHYUPBHIUHYIEL-UHFFFAOYSA-N 296.370 3.599 0 40 CHAB CCCn1cc(NCc2ccc(-c3cccnc3)o2)cn1 90191088 BMQQQMSXSDUJMU-UHFFFAOYSA-N 282.347 3.560 0 40 CHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCCCCC1 7339505 OLYBVEMMSRDXDJ-ZDUSSCGKSA-N 270.376 3.615 0 40 CHAB CCC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccccc1 8714201 MGQKBHBGFZNBKG-AWEZNQCLSA-N 295.382 3.836 0 40 CHAB Cc1cccc(NC(=O)Cc2cccc(F)c2)c1C 7609933 APUPAOQPUDHLJL-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB CCOP(=O)(OCC)[C@H](N)c1ccc(Cl)cc1 25501053 CLTNPSYRMWSMNP-NSHDSACASA-N 277.688 3.563 0 40 CHAB O=C(Nc1nc2ccccc2s1)NC1CCCCC1 18208183 GSZWNLGKLPSPAJ-UHFFFAOYSA-N 275.377 3.751 0 40 CHAB CCOC(=O)c1nc(-c2cc(Cl)ccc2O)sc1C 96345674 VBERTVYHXIDXRG-UHFFFAOYSA-N 297.763 3.654 0 40 CHAB CCc1cc2c(N3CC(C)(C)C3(C)C)ncnc2s1 72310960 SCDPVRRKUWKARR-UHFFFAOYSA-N 275.421 3.879 0 40 CHAB CCc1ccccc1NC(=O)c1sccc1COC 95465978 KJPIPPCSFKGXCJ-UHFFFAOYSA-N 275.373 3.709 0 40 CHAB C[C@H]1C[C@H](N(C)C2CCC2)CCN1Cc1ccccc1 95441672 AGYDJTMPFLQYCT-MAUKXSAKSA-N 272.436 3.524 0 40 CHAB CC(C)n1c(CCCC(=O)O)nc2cc(Cl)ccc21 37440163 VQYFHPUCFIDCEV-UHFFFAOYSA-N 280.755 3.678 0 40 CHAB O=C1c2cc3ccccc3cc2C(=O)N1c1ccc(F)cc1 408733607 MCTCTBKSYLNPIG-UHFFFAOYSA-N 291.281 3.780 0 40 CHAB CCC(=O)c1cnc(N2CCc3ccccc32)c(C)c1 72222897 XUPSDERKWHXCTR-UHFFFAOYSA-N 266.344 3.677 0 40 CHAB Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1CC(C)C 72218762 LEHNCYWRCSOTHX-INIZCTEOSA-N 275.440 3.639 0 40 CHAB C[C@H](NC(=O)NCc1ccccc1)c1ccc(Cl)s1 27350121 WPRUIFSKZNJAQE-JTQLQIEISA-N 294.807 3.962 0 40 CHAB CCOC(=O)c1cc2ccccc2c(Cl)c1OC 40545146 AJAQRFGADDAPMJ-UHFFFAOYSA-N 264.708 3.679 0 40 CHAB Nc1ccc(-c2noc(Cc3ccccc3)n2)c(Cl)c1 225175309 OFJRZAWBWBUBAP-UHFFFAOYSA-N 285.734 3.563 0 40 CHAB CCCC[C@H](CC)CNC(=O)COc1ccc(CC)cc1 224264509 QQALAXJFWXKFQJ-INIZCTEOSA-N 291.435 3.960 0 40 CHAB CCN(Cc1ccccc1)C(=O)Cc1ccc(OC)c(C)c1 225861258 TYMRMXQRILQTEU-UHFFFAOYSA-N 297.398 3.595 0 40 CHAB OCc1cccc(OCc2c(F)cccc2Cl)c1 44198613 NQDVYVIKKDNZAA-UHFFFAOYSA-N 266.699 3.550 0 40 CHAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1 225632870 XLHHRVLSCFRCTK-DYVFJYSZSA-N 291.391 3.619 0 40 CHAB Cc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cn1 45029080 FDJIOZMNZXXINQ-UHFFFAOYSA-N 253.345 3.919 0 40 CHAB COCc1nc2cc(NCc3ccsc3)ccc2o1 80343039 QHVLHKOREXEVLE-UHFFFAOYSA-N 274.345 3.648 0 40 CHAB COc1ccc([C@H]2COc3cc(Cl)ccc3N2)cc1 96531220 NANOZLHHEZQJLM-CQSZACIVSA-N 275.735 3.894 0 40 CHAB Cc1c2c(nc3ccccc13)CN(c1ccccc1)C2=O 96319285 ZLDLKQAOZDJVMV-UHFFFAOYSA-N 274.323 3.704 0 40 CHAB CC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O 146789185 HEDVCJIUEKLCCV-UHFFFAOYSA-N 292.334 3.968 0 40 CHAB CCN(CC)CCOC(=O)C[C@@H](C)c1cc(C)ccc1C 255190705 YXNWRLYGRLVNMZ-MRXNPFEDSA-N 291.435 3.682 0 40 CHAB O=C(c1cccc(F)c1)c1ccc(Cl)c(F)c1 95916259 KLTJEDBIRNPBHK-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB C/C(=C\C(=O)NCc1cc2ccccc2[nH]1)c1ccccc1 96313997 IPLAPHLSYNPCPN-SDNWHVSQSA-N 290.366 3.888 0 40 CHAB Cc1ccc(CNC(=S)c2ccc(N(C)C)cc2)cc1 13547018 WODLGOQJRIXKAD-UHFFFAOYSA-N 284.428 3.526 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)c(Cl)c1 13744655 MNIYNAFLWIPHJG-NSHDSACASA-N 289.766 3.926 0 40 CHAB C[S@@](=O)c1ccc(/C=C2/C=Cc3ccccc32)cc1 5188913 XYWICSPUYKMEFN-RYBIEJRYSA-N 266.365 3.991 0 40 CHAB Cc1ccccc1-c1cc(O)n(-c2nc3ccccc3o2)n1 14607858 FROMTGJOWJQUNZ-UHFFFAOYSA-N 291.310 3.695 0 40 CHAB Cc1nc2ccccc2nc1C(=S)NC1CCCCC1 16265116 YFXCTMPMHZSQBG-UHFFFAOYSA-N 285.416 3.536 0 40 CHAB c1ccc([C@@H]2[C@H]3CCC[C@H]3[C@H]2NCc2ccccn2)cc1 19373729 UTMCZKMWHNMOGX-WJFTUGDTSA-N 278.399 3.754 0 40 CHAB CCN(C(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1 40080566 GVZWLSZXEIBMSH-UHFFFAOYSA-N 282.318 3.974 0 40 CHAB O=C(NOCc1ccccc1)Nc1ccccc1Cl 41310 DCTPZVSCDLSCAG-UHFFFAOYSA-N 276.723 3.593 0 40 CHAB c1ccc(-n2nnnc2Oc2cccc3ccccc23)cc1 1442048 SIQIQDNJOKALFL-UHFFFAOYSA-N 288.310 3.608 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 3983872 MUMGGOZAMZWBJJ-XEZGLNCPSA-N 288.431 3.879 0 40 CHAB biogenic,in-vitro C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@H](C)N1C 4692428 MTMBEFUBDMHEMV-HOTGVXAUSA-N 293.410 3.654 0 40 CHAB CCOC(=O)c1cccc(NC(=O)CCC2CCCC2)c1 364477 ODHYXGRCEDCIGG-UHFFFAOYSA-N 289.375 3.772 0 40 CHAB O=C(c1ccccc1)c1cc(Br)cc(F)c1O 52068480 HZFXSQUUSKSFSF-UHFFFAOYSA-N 295.107 3.525 0 40 CHAB Cc1cc([C@H](C)NC(=O)C[C@@H]2C=CCC2)c(C)s1 46240554 FMURUWUXIWJIFP-WCQYABFASA-N 263.406 3.898 0 40 CHAB Clc1ccc(Nc2nc(-c3ccccn3)cs2)nc1 613579 XIMLXPRKZACEAD-UHFFFAOYSA-N 288.763 3.997 0 40 CHAB COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1OC(F)F 22753697 GWVIZMRTMWQTNK-SNVBAGLBSA-N 297.301 3.591 0 40 CHAB Cc1cc(C)n2cc(CSCc3ccccc3)nc2n1 12555360 GUEZVSFDXPWEJS-UHFFFAOYSA-N 283.400 3.780 0 40 CHAB O=c1onc(-c2ccc(Cl)cc2)c2ccccc12 1567392 WFOBHUVYJHLWLG-UHFFFAOYSA-N 257.676 3.508 0 40 CHAB in-vitro Clc1cccc(CNc2cccc3[nH]ncc23)c1 37783752 FNTHDPGNLQRPHI-UHFFFAOYSA-N 257.724 3.828 0 40 CHAB Cc1cccc(CNC(=O)c2cc(-c3ccccc3)on2)c1 26886334 TWDGODRRWZWKJY-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB Cc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1 20493549 CDQPYWAUYNWHFF-UHFFFAOYSA-N 287.790 3.850 0 40 CHAB Nc1ccc2oc(SCc3ccccc3)nc2c1 44378869 SEMYNXNVNACYTG-UHFFFAOYSA-N 256.330 3.702 0 40 CHAB in-vitro Cc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2 12791270 DOGATAUENGUFGH-UHFFFAOYSA-N 286.400 3.973 0 40 CHAB CCCCCC(=O)Nc1cccc(NC(=O)C2CC2)c1 12883656 INGFVRKCSCIYTD-UHFFFAOYSA-N 274.364 3.554 0 40 CHAB COCc1cccc(C(=O)Nc2c(C)cccc2C)c1 12894091 MWFPNBYKALUPDI-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC=CCC1 12977143 GMMKBZJUQCOOMX-JSGCOSHPSA-N 275.417 3.940 0 40 CHAB Cc1ccoc1C(=O)Nc1ccc(-c2nccs2)cc1 12978152 SJQCGOLWTAZVPI-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB Cc1onc(-c2cc(Cl)cc(Cl)c2)c1C(=O)O 70535704 WMCPMRCFYXTUOH-UHFFFAOYSA-N 272.087 3.655 0 40 CHAB C[C@H](CC(=O)NCc1ccccc1F)c1ccccc1 6260514 VHCCTXJWCPLAEU-CYBMUJFWSA-N 271.335 3.636 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1cccc(F)c1 5467112 YMVYEORBOFCHRC-GFCCVEGCSA-N 251.345 3.772 0 40 CHAB CCn1c(SC[C@@H](O)c2ccccc2)nc2ccccc21 6746137 GHFPVAUFDDJJKU-MRXNPFEDSA-N 298.411 3.882 0 40 CHAB CN(C)C1(CNc2cnc3ccccc3n2)CCCCCC1 15584575 OWHRNXIQFSJLLU-UHFFFAOYSA-N 298.434 3.696 0 40 CHAB Fc1ccc(CCNCc2cccc(Cl)c2)cc1 19871919 DXQVWMNDXMHOIX-UHFFFAOYSA-N 263.743 3.811 0 40 CHAB N[C@@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl 19970949 QDAAUAUXWSKBJM-HNNXBMFYSA-N 294.181 3.976 0 40 CHAB in-vitro Cc1nc(C(C)(C)NCCC(F)(F)F)sc1C 72865614 BMHRAXWOZUHYGZ-UHFFFAOYSA-N 266.332 3.537 0 40 CHAB Cc1cccc(OCCCn2ccc(=O)c3ccccc32)c1 95400851 ANUOVFKDPLOIET-UHFFFAOYSA-N 293.366 3.779 0 40 CHAB Cc1ccnc(N2CCC[C@@H]2c2cccc(C)c2C)n1 78307631 JHEYZZZGCDQGLG-MRXNPFEDSA-N 267.376 3.743 0 40 CHAB CC(=O)CC(=O)CCCCCCCCCCCC(=O)O 31748936 JTUHPKQVDKLPGI-UHFFFAOYSA-N 284.396 3.910 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCc2cc(F)ccc21 510252681 HUYVBYKRKVGOKQ-UHFFFAOYSA-N 274.270 3.559 0 40 CHAB COc1ccc2c(c1)c(C(=O)O)c(C)n2-c1cccc(C)c1 4622689 OMKYAGDLOBWKQM-UHFFFAOYSA-N 295.338 3.954 0 40 CHAB COc1ccccc1[C@H](O)c1cccc(Br)c1 37532703 YLZNDGCMRCWQGX-CQSZACIVSA-N 293.160 3.539 0 40 CHAB O=C(O)c1ccnc([C@@H]2CCCCC23SCCS3)c1 217630145 PEJXCOWTPYZVPA-NSHDSACASA-N 295.429 3.614 0 40 CHAB Cc1ccc(CC(Cc2ccc(C)cc2)C(=O)O)cc1 37528255 QHMINWFMQHVHGA-UHFFFAOYSA-N 268.356 3.789 0 40 CHAB CCN(CC)c1ccc([C@H]2CCCCN2C(C)C)cn1 72212857 QTLWPMIWGWHSRB-MRXNPFEDSA-N 275.440 3.863 0 40 CHAB COc1cc(Cl)c2[nH]c(-c3ccccc3)nc2c1 216912568 GRYHNSCQPUKIKE-UHFFFAOYSA-N 258.708 3.892 0 40 CHAB CCOc1ccc(-c2ccc3c(CCN)c[nH]c3c2)cc1 71631135 YVSPQLLCJMDPEO-UHFFFAOYSA-N 280.371 3.735 0 40 CHAB CC(C)Oc1cccc(C(=O)Nc2cccc([C@H](C)O)c2)c1 226274354 BQXPURRLJWMVEZ-ZDUSSCGKSA-N 299.370 3.779 0 40 CHAB CC(C)OC(=O)c1ccc(NC2CCCCC2)c(N)c1 225409618 ZGYXYCNAILKDPE-UHFFFAOYSA-N 276.380 3.579 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC1CCCC1 44903951 FMZMPDBIRRPZIH-HNNXBMFYSA-N 275.392 3.520 0 40 CHAB O=C(Nc1cc(F)ccc1Cl)N1C[C@H]2CCC[C@H]2C1 89769657 BKNHAPUAUGSLOI-AOOOYVTPSA-N 282.746 3.743 0 40 CHAB Nc1cc(Nc2ccc(F)cc2)nc(-c2ccccc2F)n1 49467823 HFPOETATXVGQKU-UHFFFAOYSA-N 298.296 3.748 0 40 CHAB CCc1ccccc1-n1ncc2c(Cl)nc(Cl)nc21 228948816 ULGVLNFQMYSHQF-UHFFFAOYSA-N 293.157 3.685 0 40 CHAB CCOc1cccc(NC(=O)c2ccc(OC)c(C)c2)c1 225659023 HLNNCVPBTUYMPY-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB Fc1cc(Br)c(OC(F)(F)Cl)cc1F 95215453 BFOJSOJXZNLDES-UHFFFAOYSA-N 293.441 3.895 0 40 CHAB Cc1ccc(C(=O)CCN2CC[C@H]3CC[C@@H](C3)C2)cc1 104069527 MMBCFNSKTNXEJX-CVEARBPZSA-N 271.404 3.690 0 40 CHAB COc1cc(F)c(F)cc1C(=O)C1CCCCC1 575358053 GNYQSXGXMPSQSN-UHFFFAOYSA-N 254.276 3.736 0 40 CHAB OCc1cc(C(F)(F)F)nc2cccc(C(F)(F)F)c12 685937598 SVKFVFQNRJWRNH-UHFFFAOYSA-N 295.182 3.765 0 40 CHAB O=C(c1cccc(Br)c1)c1cccc(F)c1F 70098550 PNHNBDZHMPTJQC-UHFFFAOYSA-N 297.098 3.958 0 40 CHAB in-vitro C[C@H]1Cc2ccccc2N1C(=O)CCc1ccccc1 13673041 BTUADQYZJMXJCN-AWEZNQCLSA-N 265.356 3.597 0 40 CHAB Fc1ccc(F)c(NC(=S)Nc2ccccc2)c1 16221334 FRUSMLJKXIZXHE-UHFFFAOYSA-N 264.300 3.774 0 40 CHAB CCC(=O)NCc1ccc(-c2nc3ccc(C)cc3o2)cc1 16609838 URSRCTOKXUURKV-UHFFFAOYSA-N 294.354 3.829 0 40 CHAB CCCCO/C=C/CSC(=S)N(CC)CC 16638930 MWGKYQWLUIRJIU-CSKARUKUSA-N 261.456 3.677 0 40 CHAB Cc1ccc(C(=O)NCCSCc2ccccc2)c(C)c1 18150080 FRAAWUSVEJKYGF-UHFFFAOYSA-N 299.439 3.967 0 40 CHAB CCN(CC)CCN(CC)C(=O)Nc1ccc(Cl)cc1 19074493 WFJIPFWLQAPGDO-UHFFFAOYSA-N 297.830 3.536 0 40 CHAB N[C@@H](c1ccc(Br)cc1)c1cccs1 19841988 GSIUHOHMHXTASL-NSHDSACASA-N 268.179 3.559 0 40 CHAB CSc1cccc(C(=O)C(F)(F)Br)c1 307324178 DIKGYRQBPVRYJD-UHFFFAOYSA-N 281.121 3.579 0 40 CHAB C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(C(C)(C)C)cc1 40108700 QWVGDYVMXLWVMY-BBRMVZONSA-N 289.419 3.730 0 40 CHAB O=C(C[C@@H]1C=CCC1)N(Cc1cccs1)C1CC1 40498669 VDDAIPMDAUSFPA-GFCCVEGCSA-N 261.390 3.595 0 40 CHAB Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)CC(C)C 1017157 KBAOLJGFWKKGFL-UHFFFAOYSA-N 290.407 3.964 0 40 CHAB Cc1c(F)cccc1NC(=O)Nc1ccccc1F 51354526 FFWNCYNSMAFNHF-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB CCCC[C@H](CC)C(=O)NCCCc1ccccc1 2736545 RTFCQTFIUFKFPT-INIZCTEOSA-N 261.409 3.952 0 40 CHAB C1=CC[C@@H]2[C@H](C1)CN1CCc3c([nH]c4ccccc34)[C@H]21 4026241 OUQFYCOJMMHQMV-VFVRVIDISA-N 264.372 3.663 0 40 CHAB biogenic Cc1ccc(S[C@@H]2C[C@H]3C[C@@H]2[C@H]2COC[C@@H]23)cc1 4769264 XSAZNZTYQKMUAB-JPIRQXTESA-N 260.402 3.758 0 40 CHAB C[C@@H]1CCCN(c2nc(Cl)nc3ccccc23)C1 11756898 UPVJPSBYONIURD-SNVBAGLBSA-N 261.756 3.520 0 40 CHAB CCCCCNC(=O)CCSc1ccc(C)cc1 6596802 IEYLYYIRXVBICU-UHFFFAOYSA-N 265.422 3.784 0 40 CHAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(C)c2)c1 10444225 PGLFBLLSRYCISE-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB CCc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 429460 PDUWCGFYFJHPGL-UHFFFAOYSA-N 284.359 3.649 0 40 CHAB COc1ccc(NC(=O)CCc2ccco2)cc1Cl 32962556 NOUHSSJNINDJKF-UHFFFAOYSA-N 279.723 3.513 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)NCCc1cccc(Cl)c1 9868442 RJNWKCZGDGKVTB-WFASDCNBSA-N 294.826 3.760 0 40 CHAB CCC[C@H](C(=O)Nc1cccc(C)n1)c1ccccc1 12544184 FSZOLQUYDXFRFI-HNNXBMFYSA-N 268.360 3.912 0 40 CHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2)cc1 20460777 PBTIAWOMIZWJCC-XETPBLJFSA-N 295.382 3.894 0 40 CHAB Cc1cc(C)n2c(SC/C=C/c3ccccc3)nnc2n1 3389123 XVNPDGMGTVHGMQ-RMKNXTFCSA-N 296.399 3.547 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)s1 48806972 VGTHSRGNBXZWAY-UHFFFAOYSA-N 295.747 3.660 0 40 CHAB C(=C/c1ccccc1)\CSc1nnc(NC2CC2)s1 22174567 MMKVLZMZGMCANP-QPJJXVBHSA-N 289.429 3.918 0 40 CHAB C[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13616298 ZYFARORWTRCJDY-BLLLJJGKSA-N 264.328 3.576 0 40 CHAB CC1(C)C[C@](CCN)(Cc2ccccc2Cl)CCO1 5478307 YFTUDCNWQVREPF-INIZCTEOSA-N 281.827 3.807 0 40 CHAB COC(=O)c1ccc(Oc2ccc(N)cc2Cl)cc1 14630079 GSDSFGMVOSSVSO-UHFFFAOYSA-N 277.707 3.501 0 40 CHAB OC[C@H]1CCCN(C2CCCCC2)[C@@H]1c1ccccc1 5775278 OSJBIUWOUITRHG-SJLPKXTDSA-N 273.420 3.765 0 40 CHAB COc1ccc2ccccc2c1[S@](=O)Nc1ccccc1 8925836 JJBYLLGZOQBFTF-OAQYLSRUSA-N 297.379 3.983 0 40 CHAB Cc1ccc(C(=O)c2oc3ccccc3c2N)cc1C 22152067 BNRPVSDEMYZZCN-UHFFFAOYSA-N 265.312 3.863 0 40 CHAB CCCO[C@H]1CCCN(Cc2cccs2)CC1 93316933 WGXQEIWBNKXTEP-ZDUSSCGKSA-N 253.411 3.529 0 40 CHAB CC(C)(C)c1csc(NC(=O)Cc2ccsc2)n1 9452131 CJHOVDQVOXLTJB-UHFFFAOYSA-N 280.418 3.683 0 40 CHAB Cc1ccc(NC(=O)CCc2ccncc2)c2cccnc12 71847323 MZOHTIFKYHFGOX-UHFFFAOYSA-N 291.354 3.510 0 40 CHAB Cc1ccccc1-c1noc(-c2ccc(Cl)nc2)n1 22120345 FFGHGDUBACXFCD-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB O=C(Nc1ccc(F)cc1Cl)OCC(F)(F)F 32628757 ZNTSELOIEPLLLV-UHFFFAOYSA-N 271.597 3.590 0 40 CHAB Cc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72211264 KBXXIIGYXQIAIE-AWEZNQCLSA-N 276.380 3.852 0 40 CHAB COc1ccc([C@@H]2CCCN2Cc2ccccc2)c(C)n1 72218065 SKESOOXQXBALIN-KRWDZBQOSA-N 282.387 3.736 0 40 CHAB Cc1ccccc1C(=O)Nc1ncc(Cl)cc1Cl 89228961 WVSFMXGSRCFKGC-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB Nc1ccc([C@H](O)c2ccc3c4c(cccc24)CC3)cc1 226295850 BUUKKKXTVYXPMV-IBGZPJMESA-N 275.351 3.602 0 40 CHAB CN(C(=O)C(F)(F)F)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 226280357 SCEPCHASRGVTBP-AMZBWDOQSA-N 289.341 3.756 0 40 CHAB Cc1ncn(-c2ccc(Cl)c(Br)c2)c1C 225793473 XMVZCESALZETDW-UHFFFAOYSA-N 285.572 3.905 0 40 CHAB CCCNC(=O)c1ccc(N[C@H](C)c2ccccc2)c(N)c1 225412955 CGTOOMRTJSPJBS-CYBMUJFWSA-N 297.402 3.582 0 40 CHAB Cc1cccc(OCC(=O)NC(C)(C)Cc2ccccc2)c1 223271853 RRXHQLCABCOCQN-UHFFFAOYSA-N 297.398 3.511 0 40 CHAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)C1CC1 225382169 YDMSTIFPAMCFNX-OAHLLOKOSA-N 285.387 3.739 0 40 CHAB CCCCO[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225087153 DTAPYPKQHXGNLU-GFCCVEGCSA-N 291.174 3.806 0 40 CHAB CCOc1ccc(CNC(=O)Cc2ccc(CC)cc2)cc1 225520612 HQNNMGKXCQWPOH-UHFFFAOYSA-N 297.398 3.507 0 40 CHAB CC(C)C[C@H]1CCCCCN1C(=O)CCc1cscn1 96418990 CFOOSWNCTASJEY-OAHLLOKOSA-N 294.464 3.893 0 40 CHAB COc1cc(OC)cc(C(=O)c2c(F)cccc2Cl)c1 95916727 UTEXKBLVAPAFNO-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB Cc1c[nH]nc1[C@@H]1CCCN1Cc1ccc2[nH]ccc2c1 72364590 DLVFAKZBESSKIS-INIZCTEOSA-N 280.375 3.537 0 40 CHAB CC[C@H](C)c1ccc(O)c(NC(=O)COc2ccccc2)c1 5656599 PCXHJBNCZSJKAI-ZDUSSCGKSA-N 299.370 3.923 0 40 CHAB COc1cccc(CNC(=O)c2ccc3c(c2)CCCC3)c1 12764299 QVFMSGYIWNZRQW-UHFFFAOYSA-N 295.382 3.504 0 40 CHAB Cc1ccc(C)c(S(=O)(=O)NC2CCCCCCC2)c1 13938496 JZFJWOTUWAPZLD-UHFFFAOYSA-N 295.448 3.695 0 40 CHAB CCc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 15080314 VKBZXUDYLOHPGX-UHFFFAOYSA-N 265.356 3.919 0 40 CHAB Nc1ccc(F)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 19736790 RAXCEVIZANUMCQ-UHFFFAOYSA-N 299.132 3.967 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1 19773993 IHKOYEWTFAEQEM-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB O[C@H](c1ccccc1OCc1ccccc1)C(F)(F)F 107718303 DOTUQLQTJHCTJA-CQSZACIVSA-N 282.261 3.861 0 40 CHAB Cc1cccc(C)c1-n1c(=S)[nH]c2ccccc2c1=O 5692440 VHUNDJWLIXMISZ-UHFFFAOYSA-N 282.368 3.665 0 40 CHAB in-vitro Cc1nc(NCC(C)C)sc1C(=O)Nc1ccccc1 3547669 KGQZQQQQBBUVGG-UHFFFAOYSA-N 289.404 3.772 0 40 CHAB C[C@H](NC(=O)c1cccnc1)c1cccc2ccccc12 4656401 YHDNUDCCQOADDI-ZDUSSCGKSA-N 276.339 3.726 0 40 CHAB FC(F)(F)c1ccc(-c2noc(-c3ccccn3)n2)cc1 1432786 KXSKYMLKWJNUOO-UHFFFAOYSA-N 291.232 3.817 0 40 CHAB O=C(Nc1ccccc1F)N1CC[C@@H](c2ccccc2)C1 38567327 RONRYNYKNSIPBT-CQSZACIVSA-N 284.334 3.847 0 40 CHAB Cc1ccc(C(=O)[C@@H](CC(C)C)N2CCCC2)cc1 13682193 GMWFVXBLHOYMAG-MRXNPFEDSA-N 259.393 3.688 0 40 CHAB O=C(CCc1ccc(F)c(F)c1)NC1CCCCCC1 40073467 ZQQPVSBXCILIKE-UHFFFAOYSA-N 281.346 3.736 0 40 CHAB Clc1ccc(OCC[C@@H]2CCCCN2)cc1Cl 20221553 NYEJRTCMRJBPRE-JTQLQIEISA-N 274.191 3.904 0 40 CHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccccc2C)c1 505940 CMYISEVDZBKXSX-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB CCn1ncc(Cl)c1C(=O)Nc1ccccc1C(C)C 2754442 XVLUVCAPFKXDIM-UHFFFAOYSA-N 291.782 3.932 0 40 CHAB O=C(Nc1ccccc1Br)NC1CCCCC1 3159988 KCOJPEUGLRRGFK-UHFFFAOYSA-N 297.196 3.903 0 40 CHAB O=C(Nc1ccccc1)N(C1=NCCS1)c1ccccc1 3187552 FUUNSFHBKJLAFV-UHFFFAOYSA-N 297.383 3.828 0 40 CHAB Cc1cccc(CNc2cc(CO)ccc2Cl)c1 68923552 GMAQJOLKKVNWEG-UHFFFAOYSA-N 261.752 3.753 0 40 CHAB O=C(COc1ccc(Cl)cc1)OC1CCCCC1 363054 YMENFBJHTHEZFR-UHFFFAOYSA-N 268.740 3.595 0 40 CHAB Cc1ccoc1C(=O)N1CCC[C@H]1c1cccs1 52606307 ZEZAZUYROUCFNT-NSHDSACASA-N 261.346 3.627 0 40 CHAB O=C(CCCc1nc2ccccc2[nH]1)Oc1cccs1 547389 SKHLSAWYPWIVAY-UHFFFAOYSA-N 286.356 3.553 0 40 CHAB O=C(CCCC1CCCCC1)N1CCO[C@@H]2CCC[C@H]21 53377924 HUEYXZLVSJZDHJ-HZPDHXFCSA-N 279.424 3.517 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1C[C@H]3C(=O)[C@@](C)(CC[C@H]3O)[C@@H]1CC2 103938854 MEAPGCUXQDUQKX-NSUVBKQESA-N 276.420 3.569 0 40 CHAB CCC(CC)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 28220046 UOSFOMNMDYCXDD-UHFFFAOYSA-N 289.354 3.695 0 40 CHAB Cc1nc(NC(=O)[C@H]2CC=CCC2)sc1-c1ccccn1 24031892 CUBOCUISTADQIN-LBPRGKRZSA-N 299.399 3.808 0 40 CHAB Cc1cc(NC(=O)c2cccc(Cl)c2Cl)ccn1 12620369 GDNMOQMADDDGBC-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB CCCCc1ccc(C(=O)c2ccc(C)cn2)cc1 45028556 ZJXIZQUHWMGPOP-UHFFFAOYSA-N 253.345 3.964 0 40 CHAB Cc1ccc(NC(=S)NCc2ccc(F)cc2)cc1C 3328484 GABLNZWQBWQKJX-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB O=C(Nc1cccc2ncccc12)[C@@H]1CC=CCC1 12873623 CKLYERIOPDXSAE-GFCCVEGCSA-N 252.317 3.530 0 40 CHAB Cc1ccc(C)c(NC(=S)Nc2cccnc2)c1 13572769 OQYHNKPEKXBZEB-UHFFFAOYSA-N 257.362 3.507 0 40 CHAB O=C(O)Cc1ccc(OCc2ccc(Cl)cc2)cc1 4227512 YBTGRZNGHUSBBA-UHFFFAOYSA-N 276.719 3.546 0 40 CHAB in-vitro C[C@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1 25967425 QFTARLGTPVLGDH-JTQLQIEISA-N 277.364 3.913 0 40 CHAB Cc1cccc(C)c1NC(=S)N(C)CCc1ccccn1 8687717 TVMAJEAOVRHCPV-UHFFFAOYSA-N 299.443 3.570 0 40 CHAB Cc1cc(F)ccc1NC(=S)NCCc1ccccc1 13937335 NYEKMPFKSOUGJO-UHFFFAOYSA-N 288.391 3.663 0 40 CHAB C[C@H]1CN(c2ccnc3cc(Cl)ccc23)C[C@H](C)O1 6561441 KRWMDOOKRDVCKN-QWRGUYRKSA-N 276.767 3.502 0 40 CHAB CCC[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 18135032 YWCCOMQMHZJGKY-HNNXBMFYSA-N 293.370 3.834 0 40 CHAB Cc1cncc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1 84101587 OHQBOWDZDGNBMZ-UHFFFAOYSA-N 284.359 3.780 0 40 CHAB c1ccc(COc2ccc(-c3ccno3)cc2)cc1 87564472 INRBBGKRWYWRQF-UHFFFAOYSA-N 251.285 3.921 0 40 CHAB CC(C)Oc1ccc(CC[C@H](C)NC2CCOCC2)cc1 95420545 USOLXJDNKUSQBJ-HNNXBMFYSA-N 291.435 3.564 0 40 CHAB COc1ccccc1NC(=O)CSCc1ccsc1 9954921 NNGPEYGYPFAMJH-UHFFFAOYSA-N 293.413 3.629 0 40 CHAB O=C(c1ccc(Cl)s1)C(Cl)(Cl)Cl 307306587 TZWFPIGQSZKCNJ-UHFFFAOYSA-N 263.960 3.954 0 40 CHAB Cc1ccc(F)cc1C(=O)c1cc(F)cc(F)c1 55200018 LZYMKKIRGMVIEC-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB O=C(C1CCCC1)N1CCS[C@@H](c2ccccc2)CC1 211140162 YKUBJHLSEMLFGV-MRXNPFEDSA-N 289.444 3.883 0 40 CHAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCN1CC(C)C 72218864 ZNMFYJYTCDZHIA-QGZVFWFLSA-N 287.451 3.783 0 40 CHAB CCc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1 72331625 OCDDNZGVEGFPCQ-UHFFFAOYSA-N 291.753 3.972 0 40 CHAB Nc1nc(-c2ccco2)cc(-c2ccccc2Cl)n1 71977807 FZRBGUFRHYXLQA-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB COc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1CN 89263420 IVEJJAKDZKCMBX-UHFFFAOYSA-N 296.292 3.543 0 40 CHAB CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 524370964 MDGFHMOKXFEUQJ-BDAKNGLRSA-N 259.132 3.660 0 40 CHAB Cc1cccc(C(=O)c2ccccc2C(F)(F)F)n1 45028466 SWJZHTPIRUFRFS-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@@H](C)C2)c(Cl)c1 192303401 BYIZQTGMVKOVMP-LLVKDONJSA-N 251.757 3.521 0 40 CHAB FC(F)(F)c1cnc(Cl)cc1Br 95761941 YSGXLKGGFMPUJB-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB CCOC(=O)c1cnc(-c2cccc(Cl)c2)s1 95751698 DNZPLBOXVIFUSA-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB CCn1ccnc1-c1cccc(NCc2scnc2C)c1 95429366 LVLUTIAZUQWMAQ-UHFFFAOYSA-N 298.415 3.947 0 40 CHAB c1cn2cnc([C@H]3CCN(C4CCCCC4)C3)c2s1 257241830 HZTZCLGJXJJGNA-LBPRGKRZSA-N 275.421 3.518 0 40 CHAB CC(C)N1CCC[C@H](c2ccc(-c3nccs3)cn2)C1 257294529 QUOZVFJKXMSBPA-AWEZNQCLSA-N 287.432 3.793 0 40 CHAB OCc1cccc(NCc2ncc(-c3ccccc3F)o2)c1 252500009 SLVLGGFKTSNMER-UHFFFAOYSA-N 298.317 3.585 0 40 CHAB O[C@@H]1CCC[C@H]1c1ccc(SC(F)(F)F)cc1 95740123 MLXKIWWIVZJMMS-WDEREUQCSA-N 262.296 3.927 0 40 CHAB CSc1ccccc1NC(=O)N(C)CC(C)C 49459108 XUYZFXRVFDZFRO-UHFFFAOYSA-N 252.383 3.528 0 40 CHAB CCOC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 3200831 SFGVYVMLFCZBFM-CSKARUKUSA-N 260.264 3.662 0 40 CHAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1 5027380 UZUXJHCZEBBYEU-UHFFFAOYSA-N 294.763 3.612 0 40 CHAB CC(C)c1ccccc1NC(=O)COc1ccc(F)cc1 5672978 FESBNQMUOIZWAI-UHFFFAOYSA-N 287.334 3.967 0 40 CHAB CCCCCC(=O)Nc1ccc(Br)c(C)n1 14257972 MMHLHLBSMJPAEL-UHFFFAOYSA-N 285.185 3.671 0 40 CHAB O=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1 16478514 NRAXDKHZWGBKAT-CYBMUJFWSA-N 258.708 3.565 0 40 CHAB Cc1ccc(N[C@@H](SCC(=O)O)c2ccccc2)cc1 16758436 ONQAWUYQLMYPAE-INIZCTEOSA-N 287.384 3.924 0 40 CHAB CCCCOc1ccc(C(=O)Nc2ncccc2C)cc1 6417704 DIJHAPARSIOQOL-UHFFFAOYSA-N 284.359 3.821 0 40 CHAB Cc1csc(NC(=O)c2cc3ccccc3cc2O)n1 10554527 CSUMKVYCOZVXPG-UHFFFAOYSA-N 284.340 3.563 0 40 CHAB Cc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1Cl 569827 YLSYIHTUISYQDQ-UHFFFAOYSA-N 293.157 3.618 0 40 CHAB COCc1ccccc1CNC(=O)Nc1ccc(C)cc1C 40095377 HNBQRWMYXOWFQQ-UHFFFAOYSA-N 298.386 3.772 0 40 CHAB Cc1cc(C)cc(OC(=O)COc2ccccc2C)c1 130120 QZYMGORANHJIIC-UHFFFAOYSA-N 270.328 3.596 0 40 CHAB CCOC(=O)[C@H]1CC(=O)c2ccccc2[C@@H]1c1ccccc1 1685573 LAKGJAYWSVCIGK-WMZOPIPTSA-N 294.350 3.584 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 288469 IGRAWLYAFKEFDP-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB CCOC(=O)CC(=O)c1ccccc1Oc1ccccc1 2575932 VXYBRLCAWQBJBX-UHFFFAOYSA-N 284.311 3.615 0 40 CHAB Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 514095 LWDUZSDFIFYWJI-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 103294840 GVIATXQHBRZLRV-WBTNSWJXSA-N 271.404 3.858 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(Cl)cc1C 43214451 JULVTBIKDWOOTB-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB c1ccc(-c2nccc(-c3ccc4c(c3)OCO4)n2)cc1 1390261 DXPSVPVEHGUOPA-UHFFFAOYSA-N 276.295 3.539 0 40 CHAB CCn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 58053597 IUUCZUQYJGZHIU-UHFFFAOYSA-N 280.331 3.700 0 40 CHAB Cc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1C 3263528 FJHSJZYYXVHWAY-UHFFFAOYSA-N 282.368 3.665 0 40 CHAB Cc1ccc(-c2csc(-c3cnccn3)n2)cc1C 48356521 PWOZERDKQDJPHJ-UHFFFAOYSA-N 267.357 3.884 0 40 CHAB Cc1ccc(NC(=O)NCCc2ccc(F)cc2)cc1F 13320214 YOSKMNXMSRJBAL-UHFFFAOYSA-N 290.313 3.637 0 40 CHAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1 69846600 LAGHDTNUIVPRKI-KRWDZBQOSA-N 285.387 3.684 0 40 CHAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccncc1 6125108 UZPZUJVSAZNNBL-JTQLQIEISA-N 294.276 3.591 0 40 CHAB COc1ccnc(N[C@@H](C)c2ccc3c(c2)CCCC3)n1 14242766 IFYDCSAOEZISJQ-LBPRGKRZSA-N 283.375 3.537 0 40 CHAB Cc1ccc(SCc2cc(=O)n3ccc(C)cc3n2)cc1 18269471 ANQODUIUWCAORR-UHFFFAOYSA-N 296.395 3.604 0 40 CHAB C[C@H](Nc1cccc(Cl)c1)C(=O)NCC1CCCCC1 8272828 BQLDYQVUSSVSAA-LBPRGKRZSA-N 294.826 3.837 0 40 CHAB Cc1sc(NC(=O)[C@H]2C[C@@H]2C)nc1-c1ccc(F)cc1 9452965 OQZRIJMNZRTWAE-UFBFGSQYSA-N 290.363 3.852 0 40 CHAB Clc1ccccc1-c1nnc(SC[C@@H]2CCOC2)o1 71886811 FUMWVNDCWJQXGP-SECBINFHSA-N 296.779 3.519 0 40 CHAB Fc1ccccc1-c1nc2cccnc2n1-c1ccncc1 76046453 CZNRKBTXBHPJMZ-UHFFFAOYSA-N 290.301 3.622 0 40 CHAB C[C@H](NC(=O)C(C)(C)c1ccccc1)c1cccs1 36074540 GOCBONCDSYZMFE-LBPRGKRZSA-N 273.401 3.903 0 40 CHAB CCN(C(=O)c1ccc(F)c(F)c1)c1ccccc1 75245255 WWZSJVHICZYEPW-UHFFFAOYSA-N 261.271 3.632 0 40 CHAB Cc1nc(C(=O)Nc2ccccc2O)c(C(C)C)s1 72402610 VBGCIGYRDPSHOP-UHFFFAOYSA-N 276.361 3.533 0 40 CHAB CCc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 44845283 XFKWMBIXXTUXAK-UHFFFAOYSA-N 272.323 3.710 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccccc2F)C1 43324260 WWXGQTXEDKCAQW-LBPRGKRZSA-N 294.370 3.637 0 40 CHAB CC(C)C(NC(=S)Nc1c(F)cccc1F)C(C)C 225327441 SZVYVKSCODZJHC-UHFFFAOYSA-N 286.391 3.932 0 40 CHAB CCCCC(=O)Nc1cnc(Oc2ccccc2F)nc1 224281431 BCSFTQSACCIWDZ-UHFFFAOYSA-N 289.310 3.537 0 40 CHAB Cc1ccc(O[C@H](Cc2cccc(C)c2C)C(=O)O)cc1C 225023518 HECUTRJSXVMTTG-GOSISDBHSA-N 298.382 3.995 0 40 CHAB CC(C)Oc1ccc(NC(=O)C(F)(F)F)c2cccnc12 225878871 NDEXTCSHDKGDBL-UHFFFAOYSA-N 298.264 3.523 0 40 CHAB C[C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2O1 41155560 TUDNXLAEWSYOKX-NSHDSACASA-N 287.746 3.768 0 40 CHAB Cc1ccc(NC(=O)Nc2ccnc(Cl)c2)cc1 98175293 GCEAJQJNMBNNRF-UHFFFAOYSA-N 261.712 3.687 0 40 CHAB S=C(Nc1ccc2sncc2c1)NC1CCCCC1 225171686 HZHWYCNWEZKXLE-UHFFFAOYSA-N 291.445 3.915 0 40 CHAB O[C@H](c1ccc(Cl)c(Br)c1)C(F)(F)F 137216071 ONTXDZYLWLEIBL-SSDOTTSWSA-N 289.478 3.698 0 40 CHAB Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 19282392 HBKFHFXSUXUYDL-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CCCC[C@@]1(c2ccccc2)NC(=O)c2ccccc2O1 5421314 PYTMYMQEEXDXMA-GOSISDBHSA-N 281.355 3.852 0 40 CHAB CCC1=CC[C@H]2C(=O)[C@H]3CC(CC)=CC[C@H]3C(=O)[C@H]2C1 5707164 GOMMMKUEQAMXCG-WCVJEAGWSA-N 272.388 3.863 0 40 CHAB CCC(C)(C)NC(=S)Nc1ccc(C)cc1C 13823563 SXTQXPVYIONYAG-UHFFFAOYSA-N 250.411 3.778 0 40 CHAB Cc1cc(C)nc(NCc2cccc(C(F)(F)F)c2)n1 24993480 RLTLWEKSBSQRJK-UHFFFAOYSA-N 281.281 3.724 0 40 CHAB Cc1cc2cc(CNC(=O)c3ccccc3C)ccc2[nH]1 4138001 BVOCZPSJLBAZPQ-UHFFFAOYSA-N 278.355 3.715 0 40 CHAB CCCC(CCC)C(=O)c1ccc(N2CCOCC2)cc1 575358477 ARQUMNMGTGSMRJ-UHFFFAOYSA-N 289.419 3.922 0 40 CHAB CC(C)Oc1ccc(CNC(=O)c2ccc(F)cc2)cc1 20049819 SKRDRCYZOQEKER-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB O=C(Nc1ccccc1Cl)c1ccnc(Cl)c1 166811 UPDYFOQZRUIKIQ-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB CC1=C(C)C[C@@H]2C(=O)N(c3cc(C)ccc3C)C(=O)[C@H]2C1 100526881 FPPHWZSYQMTFLS-GJZGRUSLSA-N 283.371 3.539 0 40 CHAB Cc1ccc(N[C@H](C)C(=O)Nc2nc(C)c(C)s2)cc1 20402692 UYZKBHOOPQOCLP-LLVKDONJSA-N 289.404 3.507 0 40 CHAB CN(C(=O)c1ccco1)c1nc(-c2ccccc2)cs1 417759 ZTWZBRODJLTDEC-UHFFFAOYSA-N 284.340 3.680 0 40 CHAB O=C(O)Cn1c(SC2CCCCC2)nc2ccccc21 294833 CWUCHOMHJQWEGP-UHFFFAOYSA-N 290.388 3.546 0 40 CHAB CCCn1c([C@H](C)NC(=O)C(C)(C)C)nc2ccccc21 200784 HWKNDAUKVPFKRD-LBPRGKRZSA-N 287.407 3.670 0 40 CHAB Cc1ccc(N2C(=O)CC3(CCCCC3)C2=O)cc1C 1568789 MDZKYWKWPOPZSE-UHFFFAOYSA-N 271.360 3.517 0 40 CHAB CCOC(=O)c1c(Cc2ccccc2Cl)cn(C)c1C 3399277 FIRQQWHXYAPCGH-UHFFFAOYSA-N 291.778 3.754 0 40 CHAB N=C1S/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 3903051 CHCUJHHFWBQKSI-SFSYWFQMSA-N 298.342 3.881 0 40 CHAB COc1ccc(Cc2nnc(-c3ccc(C)cc3)o2)cc1 359178 FDIVOFNQWJRFHE-UHFFFAOYSA-N 280.327 3.644 0 40 CHAB CC(C)c1ccc(NC(=S)NCc2ccco2)cc1 7522036 KPSJUVMDWDQTSH-UHFFFAOYSA-N 274.389 3.890 0 40 CHAB CC(C)c1ccc(-c2nc(C(=O)NC3CC3)cs2)cc1 29564187 ZMNKZQKMRQTZGR-UHFFFAOYSA-N 286.400 3.826 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100329261 CKSFZMXQPUJPIO-MIGQKNRLSA-N 289.444 3.613 0 40 CHAB Cc1csc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)n1 2623170 KNSNRYOTQQGTSL-SECBINFHSA-N 296.779 3.511 0 40 CHAB COc1ccc(C)cc1NC(=O)CCc1ccc(C)cc1 8942179 MJJFOQLWWDPLNF-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1ccc(C(=O)N2CCc3sccc3C2)c(C)c1 12215855 YZMXFWGIBSDQJL-UHFFFAOYSA-N 271.385 3.563 0 40 CHAB O=S(=O)(c1ccccc1)c1cc(Cl)ccc1Cl 59827458 IFOUFJBAMAPFBN-UHFFFAOYSA-N 287.167 3.826 0 40 CHAB Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 24980095 BILCAKNAGGAWHF-VXGBXAGGSA-N 285.309 3.846 0 40 CHAB CCC[C@@H]1C[C@@H](C)C(=O)N(c2ccccc2Cl)C1=O 1876874 KYLXXYQOAAEJPB-GHMZBOCLSA-N 279.767 3.656 0 40 CHAB O=Cc1ccc(F)c(-c2ccc(F)c(F)c2F)c1 61837724 DYTKWBSLMBTBCW-UHFFFAOYSA-N 254.182 3.723 0 40 CHAB COc1ccc(C(=O)CNc2cccc(Cl)c2C)cc1 3270942 DMCPOEVWKBKZEW-UHFFFAOYSA-N 289.762 3.952 0 40 CHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N(C)C1CCCC1 22515268 UDEMOJMIUKDCTA-AWEZNQCLSA-N 289.419 3.978 0 40 CHAB CC(=O)c1cccc(OCc2nc3ccccc3nc2C)c1 12784364 GHUCAJROWKSEGY-UHFFFAOYSA-N 292.338 3.720 0 40 CHAB CSc1ncccc1C(=O)N[C@@H](C)c1ccccc1C 17963597 MYCCEUKHEIYFIV-LBPRGKRZSA-N 286.400 3.603 0 40 CHAB CSc1nc(O)c2scc(-c3cccc(F)c3)c2n1 62591983 OONDVPMKRZQFOH-UHFFFAOYSA-N 292.360 3.925 0 40 CHAB CC(=O)c1cccc(NC(=O)Nc2ccc(F)cc2F)c1 6297754 DJXUJCQBQLCFKH-UHFFFAOYSA-N 290.269 3.811 0 40 CHAB COc1ccccc1C[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 65621183 OFULDELIJMZMNC-DOTOQJQBSA-N 299.414 3.585 0 40 CHAB Cc1cccc(-c2nnc(SCC(=O)C(C)(C)C)o2)c1 4740815 URJVZEVNNNZAPM-UHFFFAOYSA-N 290.388 3.752 0 40 CHAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccccc1 6977853 JHYGYFDBASLVNA-GOSISDBHSA-N 288.350 3.601 0 40 CHAB CC(C)CNC(=O)CCc1ccc(-c2ccc(F)cc2)o1 15867434 IZEGRDVQVTVGPO-UHFFFAOYSA-N 289.350 3.791 0 40 CHAB Cn1cc(C(=O)Nc2ccc3c(c2)CCC3)c2ccccc21 8139750 GDPKKLBAOZAWJO-UHFFFAOYSA-N 290.366 3.919 0 40 CHAB CCCCCNCc1ccc(F)c(Br)c1 19901499 RPFYUMIFJCCCFB-UHFFFAOYSA-N 274.177 3.868 0 40 CHAB COc1ccc(CN[C@H](C)c2ccc(C)s2)s1 95418512 GIKXYOPWYYGJGP-SNVBAGLBSA-N 267.419 3.977 0 40 CHAB Cc1ccccc1S(=O)(=O)[C@H](C)c1ccccc1 77646983 ZGRWOQIKSQCHGG-CYBMUJFWSA-N 260.358 3.530 0 40 CHAB CCc1ccc(C(=O)Nc2cc(C)ccc2OC)s1 39979736 XMZLYRGWLLWDFG-UHFFFAOYSA-N 275.373 3.880 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ncccc1C 225755110 HXSKCTZTGCQOAV-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB COc1cccc([C@H](C)Sc2nncn2C(C)(C)C)c1 83596983 IXGLUKFRCOJPFR-NSHDSACASA-N 291.420 3.895 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCC2 223148637 PPGDLSHVAWGZPL-GFCCVEGCSA-N 283.346 3.805 0 40 CHAB Cc1ccc2[nH]c(C(F)F)c(C(C)C)c(=O)c2c1 685938446 SKLXWQRHQQQCSF-UHFFFAOYSA-N 251.276 3.898 0 40 CHAB CC(F)(F)COc1cccc(NCC(F)(F)F)c1 1083811116 YJKBNMGICUAFQT-UHFFFAOYSA-N 269.213 3.695 0 40 CHAB Cc1nc(Nc2ccc(F)cc2)cc(C(F)F)n1 1888879487 OCWYRIJFSLGVSP-UHFFFAOYSA-N 253.227 3.605 0 40 CHAB Cc1ccc(NC(=O)Cc2ccc(C)cc2C)cc1 5268099 GLNWADCWCLOHKG-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CC(C)N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 5633179 DEMCWADZXQNSCH-XFFZJAGNSA-N 281.764 3.785 0 40 CHAB Nc1cccc(C(=O)c2ccc3c4c(cccc24)CC3)c1 158979919 BPCGHODCYWFKAK-UHFFFAOYSA-N 273.335 3.752 0 40 CHAB Cc1ccccc1CNC(=O)Nc1nc2ccccc2s1 10275830 HTDHOAILHBWZOE-UHFFFAOYSA-N 297.383 3.926 0 40 CHAB COc1cccc2cc([C@H](C)NCc3ccco3)oc12 20084153 JZHCXJFIOCJNDO-NSHDSACASA-N 271.316 3.885 0 40 CHAB Cc1ncc(CN(C)Cc2ccccc2OC(F)F)s1 76744546 JPGAIHPLGAZYOG-UHFFFAOYSA-N 298.358 3.685 0 40 CHAB Cc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c(C)c1 5401097 MQCQHINNPRJBLL-UHFFFAOYSA-N 290.366 3.575 0 40 CHAB Cc1cc(Br)ccc1C(=O)CC(C)C 49845207 TYGVDBSRYQJZGQ-UHFFFAOYSA-N 255.155 3.986 0 40 CHAB O=C(CCc1ccccc1Cl)N1CCCCCC1 40160743 HZZWRUFOUWWANP-UHFFFAOYSA-N 265.784 3.675 0 40 CHAB COc1cccc(-c2cc(=O)c3cc(C)cc(C)c3o2)c1O 20272624 XIQVSKFPXSWDJO-UHFFFAOYSA-N 296.322 3.791 0 40 CHAB CCn1cnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 148084 AJLQAGKYEPWVGP-JTQLQIEISA-N 290.432 3.629 0 40 CHAB CC(C(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1 100784177 COEVVOAKXHSGNW-UHFFFAOYSA-N 274.266 3.667 0 40 CHAB CCn1c2ccccc2n2cc(-c3ccccc3)nc12 34782 ZBPBYCGBRXFSNR-UHFFFAOYSA-N 261.328 3.976 0 40 CHAB CC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)no1 123968 JSOQKPJDRMKQOZ-UHFFFAOYSA-N 256.088 3.851 0 40 CHAB O=C(C1CC1)N1CCc2sccc2[C@H]1c1cccs1 7947885 QUFLVJGFOJATEO-AWEZNQCLSA-N 289.425 3.694 0 40 CHAB Cn1ncc2c(C(F)(F)F)cc(-c3cccs3)nc21 20615614 VFIVBLXXJWTUPX-UHFFFAOYSA-N 283.278 3.716 0 40 CHAB Clc1ccc([C@H]2CN(Cc3ccccc3)CCO2)cc1 52247611 OZJWODSNEWNWOV-QGZVFWFLSA-N 287.790 3.914 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)cc1F)[C@H]1C[C@H]2CC[C@H]1C2 102189204 QHQBZSGMQZRVHL-YAMSLAJTSA-N 279.330 3.519 0 40 CHAB COc1cc(CNC2CC2)ccc1OCc1ccc(C)cc1 8550126 KXYOMHYJIMULCK-UHFFFAOYSA-N 297.398 3.835 0 40 CHAB CCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 102589661 WWLPNFYHGAJCAR-MNXVOIDGSA-N 277.433 3.865 0 40 CHAB Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2 494402 IBYGZZKGKLQRQF-UHFFFAOYSA-N 261.328 3.511 0 40 CHAB C[C@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O 488413 PIQARLQHRWXSLS-KPZWWZAWSA-N 282.387 3.588 0 40 CHAB biogenic CCn1c2ccccc2c2cc(/C=C/C(=O)NOC)ccc21 53720835 MANSNKSUFVAUJK-PKNBQFBNSA-N 294.354 3.505 0 40 CHAB C[C@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc21 61071554 SFKQOWFDSNABBZ-HNNXBMFYSA-N 289.382 3.996 0 40 CHAB COCc1ccccc1NC(=O)C[C@@H](C)c1ccccc1 46932394 RPASOHPVFFKICO-CQSZACIVSA-N 283.371 3.965 0 40 CHAB CC(=O)O[C@]1(c2ccccc2)CCN(C(C)(C)C)C[C@@H]1C 34144943 RJPQYHOYVZTHMX-KBXCAEBGSA-N 289.419 3.585 0 40 CHAB O=C(NC1CC1)c1cc2sccc2n1Cc1ccccc1 1361092 MTYNZCPDVDWNKO-UHFFFAOYSA-N 296.395 3.643 0 40 CHAB O=C(O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 34939267 JJVOPJNIGSYPNV-UWVGGRQHSA-N 278.739 3.575 0 40 CHAB in-vitro CCc1ccc(CNCc2csc(C3CC3)n2)cc1 69877388 ZVPGIFXFOXMXEJ-UHFFFAOYSA-N 272.417 3.873 0 40 CHAB CCN[C@@H]1CCSc2ccc(Br)cc21 35762871 RPXFUNFOAAVJPC-SNVBAGLBSA-N 272.211 3.596 0 40 CHAB in-vitro CCc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 12607594 FVWANBNEERAMRI-UHFFFAOYSA-N 297.354 3.549 0 40 CHAB Clc1ccc(-c2ccnc(N3CCCCC3)n2)cc1 67320805 JPPJDXQFSGZUQW-UHFFFAOYSA-N 273.767 3.787 0 40 CHAB Cc1coc2cc3o/c(=N/N)cc(-c4ccccc4)c3cc12 9134191 ZCVPKNPHBZYHOA-CZIZESTLSA-N 290.322 3.929 0 40 CHAB CCCN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 13731906 PKWNNBCLNMBZST-UHFFFAOYSA-N 270.376 3.676 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)C1CC1 14075954 MKXJNJKSFCGCDD-SNVBAGLBSA-N 286.400 3.647 0 40 CHAB CC(C)OCCN1CC=C(c2c[nH]c3ccccc23)CC1 89887865 MXQGVPZDQJYCDM-UHFFFAOYSA-N 284.403 3.682 0 40 CHAB NC[C@H](c1ccccc1)c1c[nH]c2cc(Cl)ccc12 26512794 SGEWZYJNWUEWFE-CQSZACIVSA-N 270.763 3.912 0 40 CHAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CC(=O)C[C@@H]12 118913157 WDSIJVKJXHSMCM-PQOIJPIJSA-N 290.447 3.959 0 40 CHAB in-vitro Oc1ccc(CNc2ccc(Cl)cn2)c2cccnc12 20026832 UMYHWDHTEJKYKM-UHFFFAOYSA-N 285.734 3.601 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2C)cc1C 32753744 XFARSKCEBYVEFV-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB CCOC(=O)CCCC(=O)c1cc(F)c(F)cc1Cl 43214395 XYVGSTJEXUJYGQ-UHFFFAOYSA-N 290.693 3.534 0 40 CHAB Cc1cc(N)cc(C)c1NC(=O)c1ccc(Cl)cc1 45888831 CHBFCCHHRKTVJF-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CCCNCc1c(C)n(C)c2ccc(OC(C)C)cc12 223766512 FDOFWJDQYCTLKL-UHFFFAOYSA-N 274.408 3.774 0 40 CHAB Cc1ccc(CC(=O)NCCCc2ccc(F)cc2)c(C)c1 222692309 QGELGKYTOIFWDM-UHFFFAOYSA-N 299.389 3.734 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1N 226265474 ZWVFKXKPCIODOF-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB CCC(C)(C)NC(=S)Nc1ccc(OC(C)C)cc1 225645208 ONWPXUIXAKTPNQ-UHFFFAOYSA-N 280.437 3.949 0 40 CHAB O=Cc1ccc(OCc2ccc(F)c(Cl)c2)cc1 95738609 QHVNNKZEZWCUAO-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB Cc1ccoc1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 96461658 HMYQOPMBOHYFDS-CQSZACIVSA-N 298.386 3.679 0 40 CHAB CO[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1ccccc1 96061571 GZVVBEQDYOMKKM-DLBZAZTESA-N 287.428 3.580 0 40 CHAB CC[C@@H](C)n1ccc(NCc2cccc(F)c2F)n1 256050068 CMZPARYPMZAXQR-SNVBAGLBSA-N 265.307 3.744 0 40 CHAB CC(C)[C@@H](C(=O)O)N1c2ccccc2[C@H](C)CC1(C)C 260613210 DQKMNBVHPPVOCK-DOMZBBRYSA-N 275.392 3.888 0 40 CHAB Cc1ccc2ccccc2c1[C@@H](O)c1cccn1C 95727874 FBMRGUYEPGSQKK-KRWDZBQOSA-N 251.329 3.568 0 40 CHAB CCCc1nccn1-c1ccc(Br)cc1 95915801 OMIPVUNHODGZGT-UHFFFAOYSA-N 265.154 3.587 0 40 CHAB O=C(Nc1ccc(F)cc1Cl)c1cc(C2CC2)on1 793855277 AULOUWYMAGWWDO-UHFFFAOYSA-N 280.686 3.597 0 40 CHAB CCCC(=O)Nc1ccc(-c2csc(COC)n2)cc1 49079325 PITKVIHCRBXUQC-UHFFFAOYSA-N 290.388 3.695 0 40 CHAB Cc1cc([C@@H]2CCCN2Cc2nc3ccccc3s2)on1 52821754 IVTHJPPXDWIWTM-ZDUSSCGKSA-N 299.399 3.930 0 40 CHAB CC(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 69900607 PBKOZHHZYPKWPB-JTQLQIEISA-N 274.389 3.624 0 40 CHAB CC[Si](CC)(CC)c1cccc2c1OC(F)(F)O2 195918586 BACFRGXTMRSLON-UHFFFAOYSA-N 272.367 3.724 0 40 CHAB CC(=O)Nc1c(C)ccc(OCc2ccccc2)c1C 146876181 MVUUQAXKLJYSAG-UHFFFAOYSA-N 269.344 3.841 0 40 CHAB in-vitro Cc1ccc(OC[C@@H]2Nc3ccc(F)cc3N2)cc1C 1772765529 ZNCWGPXRCJTCPA-MRXNPFEDSA-N 272.323 3.685 0 40 CHAB O=C(CCc1ccccc1)Nc1cc(F)ccc1F 5676920 GSWMXITYQBFJSX-UHFFFAOYSA-N 261.271 3.536 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)OC/C=C/c1ccccc1 6384134 KZTKNDJVKFBRLC-RMKNXTFCSA-N 291.350 3.967 0 40 CHAB CC(=O)Nc1cccc([C@H](C)NCc2ccsc2)c1 20187526 BCYBOTKXVAJPCF-NSHDSACASA-N 274.389 3.557 0 40 CHAB O=C(NCc1ccc(-n2cccc2)cc1)c1cccc(F)c1 4628822 OOHSUFBHBINJPJ-UHFFFAOYSA-N 294.329 3.546 0 40 CHAB O=C(NC1CCCCC1)N(Cc1ccsc1)C1CC1 44446744 KBGBGDDZKOFUPK-UHFFFAOYSA-N 278.421 3.755 0 40 CHAB CCCCCC(=O)Nc1ccccc1S[C@H](C)C(=O)O 8732880 CHMMVMYWTRMTSY-LLVKDONJSA-N 295.404 3.771 0 40 CHAB Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1O 155387 PMYWWZKCZCXDPU-UHFFFAOYSA-N 269.127 3.995 0 40 CHAB CC(C)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 28996980 HRPRJBUNHBOHEQ-UHFFFAOYSA-N 258.365 3.604 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2)cc1OC 1455709 HDAMZSNBBICCFR-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB COc1ccc(CC[C@](C)(O)c2ccccc2)cc1 1671156 XPSLGQCMCUGXMM-KRWDZBQOSA-N 256.345 3.536 0 40 CHAB O[C@@](C[C@@H]1CCCCN1)(c1ccccc1)C1CCCCC1 1843166 QUAWNUHPVGFJPP-OALUTQOASA-N 287.447 3.987 0 40 CHAB COc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1 3608034 UKWDDEUERKWANJ-UHFFFAOYSA-N 299.370 3.801 0 40 CHAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@H](O)C[C@@]3(C)CC[C@@H]21 4900140 SLNMIOMHGWEGBR-AUEKSGIPSA-N 286.415 3.912 0 40 CHAB Cc1cc(C)c2nc(NC(=O)[C@@H]3C[C@@H]3C)sc2c1 6627069 HAQZDAJZVPWEKE-WCBMZHEXSA-N 260.362 3.508 0 40 CHAB Cc1ccc(C)c(NC(=S)NCc2ccccc2F)c1 6965130 KLGLTPCGBXOQNR-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB CC(=O)Nc1cccc(OCCCc2ccccc2)c1 10373142 XTVKIUHVXGNDJB-UHFFFAOYSA-N 269.344 3.657 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cc(C)n(C)c1C 8051869 DYQLUWXWAZIFJU-UHFFFAOYSA-N 270.376 3.765 0 40 CHAB COc1ccccc1C(=O)NC1CCCCCCC1 482615 NPWMGYZRZUHJCY-UHFFFAOYSA-N 261.365 3.538 0 40 CHAB Cc1ccc2nc(C)cc(C(=O)OCC(=O)C(C)(C)C)c2c1 807314 JHDZKSVYJIHMJF-UHFFFAOYSA-N 299.370 3.624 0 40 CHAB CC(C)c1ccccc1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102259045 CTUXGTUHDRHNLA-KCQAQPDRSA-N 255.361 3.961 0 40 CHAB Cc1ccc(C(=O)CCN2CC[C@H]3CC[C@@H](C3)C2)cc1C 104069594 MFAHKSHUHHQIIO-SJORKVTESA-N 285.431 3.998 0 40 CHAB CC[C@@H](NC(=O)c1ccccc1C)c1ccc(OC)cc1 20481181 KERMCMAXEOGTDE-QGZVFWFLSA-N 283.371 3.885 0 40 CHAB Cc1ccc(C[S@@](=O)Cc2ccc(F)cc2)cc1 58225230 RKVVKTGJFYVOOI-SFHVURJKSA-N 262.349 3.583 0 40 CHAB O=C(CC1CCCC1)NCCc1coc(-c2ccccc2)n1 58341264 LLIADTZGDXXFKL-UHFFFAOYSA-N 298.386 3.581 0 40 CHAB Cc1ccc2c(CC(=O)N[C@@H](C)C(C)C)coc2c1C 17054431 AVYCCPJAHCENSB-ZDUSSCGKSA-N 273.376 3.753 0 40 CHAB CCCCCN1C(=O)c2cccc3cccc(c23)C1=O 4103987 LFXXYUBZSQNZBL-UHFFFAOYSA-N 267.328 3.626 0 40 CHAB CCCCc1nn2cc(-c3ccc(F)cc3)nc2s1 5182375 KLWHHKWVKJWOBN-UHFFFAOYSA-N 275.352 3.940 0 40 CHAB COc1ccccc1-c1n[nH]c(=S)n1-c1ccc(C)cc1 6533874 MYMIOSWHDQLVHY-UHFFFAOYSA-N 297.383 3.914 0 40 CHAB Cc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)CCC2 5508033 OVXWQHXXAJTNGV-UHFFFAOYSA-N 294.350 3.523 0 40 CHAB CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 14603068 XWFOOKJNAVYELZ-UHFFFAOYSA-N 286.400 3.893 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1ccc2ncccc2c1 71121686 SNBUJHWITBTJGH-GOSISDBHSA-N 288.350 3.652 0 40 CHAB C[C@@H](CC(=O)Nc1ccccc1)NC[C@@H](C)c1ccccc1 78739009 SEIJXLZAUXTPIB-CVEARBPZSA-N 296.414 3.797 0 40 CHAB CCc1cccc(N(C#N)Cc2cccc(OC)c2)c1 75107693 FLAGXZFBMFVAEI-UHFFFAOYSA-N 266.344 3.745 0 40 CHAB CCCCn1nc(C)c(CNCc2ccccc2)c1Cl 61002722 FQQBARLDOWPVSR-UHFFFAOYSA-N 291.826 3.935 0 40 CHAB CO[C@H](C)c1cccc(NC(=O)N[C@H](C)CCSC)c1 77441841 DSGFKBQUPXAGCH-VXGBXAGGSA-N 296.436 3.657 0 40 CHAB NNc1nc2c(Cl)cc(Cl)c(Cl)c2s1 32500106 LWXRVWACBNNXQN-UHFFFAOYSA-N 268.556 3.542 0 40 CHAB O=C(NC1CCCC1)c1ccccc1C(=O)c1cccs1 30056852 PPWAIYTURDFXTG-UHFFFAOYSA-N 299.395 3.652 0 40 CHAB CCN(Cc1cc(F)ccc1N)C1CCCCC1 35057876 KWJLMSPSLQOWJC-UHFFFAOYSA-N 250.361 3.563 0 40 CHAB CCOc1cc(CN[C@@H](C)CC)ccc1OC(C)C 40728711 GUEHBIBJCSAVIL-ZDUSSCGKSA-N 265.397 3.761 0 40 CHAB CCCOc1ccccc1CCCNC(=O)C1CCCC1 224970511 MJNHACVZEMZYGW-UHFFFAOYSA-N 289.419 3.714 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)C(C)C 225218121 CALHOCRMTCTBBT-HUUCEWRRSA-N 277.408 3.622 0 40 CHAB Cc1c(N)cccc1-c1ccc(C(=O)N2CCC[C@H](C)C2)o1 226304980 MRJSQGBQPDQDPS-LBPRGKRZSA-N 298.386 3.709 0 40 CHAB COC(=O)C[C@H](C)CC(=O)c1cc(Cl)cc(Cl)c1 95728770 XJTFIYGZBXBYGH-MRVPVSSYSA-N 289.158 3.765 0 40 CHAB CC(C)n1ccc2c(NC(=O)c3ccncc3)cccc21 95472242 XPBBLQIDIDLPQU-UHFFFAOYSA-N 279.343 3.870 0 40 CHAB Cc1cn(C(C)C)nc1NCc1ccc(F)s1 256050657 GACQJEGNUCATBC-UHFFFAOYSA-N 253.346 3.585 0 40 CHAB CC[C@H](C)Oc1c(F)cc(Br)cc1F 95915381 HUCQBOWWSNTHMM-LURJTMIESA-N 265.097 3.905 0 40 CHAB COc1ccc(/C=C/C(=O)NC[C@@H](C)c2ccccc2)cc1 8168241 NGBTZRMWKAPLDY-NRMKIYEFSA-N 295.382 3.628 0 40 CHAB CC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12364087 GWDZCKKSXFQQAV-MPEURRAXSA-N 271.198 3.699 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)c1c[nH]c2ccccc12 12891795 PBNNWWVEXOIYJZ-CQSZACIVSA-N 292.382 3.919 0 40 CHAB biogenic Cc1cccc([C@H](O)c2cnc(C)n2Cc2ccccc2)c1 13281777 XEDGJJXZHZCQOF-IBGZPJMESA-N 292.382 3.630 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708561 LTHHIEKMUCMSJK-KBPBESRZSA-N 285.387 3.912 0 40 CHAB Cc1ccccc1CSCCNC(=O)C1CCCCC1 13716920 RWOTYXQNWSKMGO-UHFFFAOYSA-N 291.460 3.925 0 40 CHAB Cc1ccc2[nH]c(=O)c(CN[C@H](C)c3ccccc3)cc2c1 13998778 GBFWEBZFSUQTBA-CQSZACIVSA-N 292.382 3.687 0 40 CHAB CC(C)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 150765354 JSHWIQWHCLXZEA-UHFFFAOYSA-N 295.429 3.697 0 40 CHAB CC1=N/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)O1 1624766 FWGUGWIRBPDVNC-LFIBNONCSA-N 263.296 3.670 0 40 CHAB O[C@@H](CCNC12CC3CC(CC(C3)C1)C2)c1ccccc1 5887076 XXBRJGCJCMOIFO-ZJIILYSQSA-N 285.431 3.669 0 40 CHAB CCOc1ccc(CC(=O)N2CCC(=C3CCC3)CC2)cc1 1775986056 RMTRWYUFDMRWNT-UHFFFAOYSA-N 299.414 3.731 0 40 CHAB Cc1cccc(-c2noc(-c3ccc(Cl)c(N)c3)n2)c1 21812993 OFPJPVVFMBNACR-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB CCCCC(=O)Nc1cccc(Oc2ccc(C)nn2)c1 36708137 YRAOSCVKDKFHIU-UHFFFAOYSA-N 285.347 3.706 0 40 CHAB O=C(O)c1ccccc1[S@@](=O)c1cccc2ccccc12 17111458 XDBBPHYBSIWYCW-OAQYLSRUSA-N 296.347 3.705 0 40 CHAB C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)c(F)c1 40121709 BPPLMRBWUIGYLG-SECBINFHSA-N 270.735 3.885 0 40 CHAB CCCC(=O)N(C1=C[C@@H]2CC[C@@H](C1)N2C)c1ccccc1 100340634 SYSPQRFVFQBMND-HOTGVXAUSA-N 284.403 3.570 0 40 CHAB O=C(c1ccc(F)cc1F)c1ccccc1CN1CC=CC1 2515915 ZEFNJRAJAFHBQL-UHFFFAOYSA-N 299.320 3.568 0 40 CHAB COc1ccccc1C(=O)c1ccc(CN2CCCC2)cc1 2514548 NTKAPCFYXAUZSI-UHFFFAOYSA-N 295.382 3.522 0 40 CHAB O=C1C[C@@H](c2ccccc2)[C@H](c2ccccc2)CO1 1557243 CZSLBTQCKZWPSN-HOTGVXAUSA-N 252.313 3.501 0 40 CHAB CC(=O)Nc1ccc(Oc2nnc(C)c3ccccc23)cc1 210024 MPAVEMHBHGYNGH-UHFFFAOYSA-N 293.326 3.689 0 40 CHAB S=C1SC[C@H](COc2ccc(Cl)cc2)S1 1672771 FDLRYHXQWUMPEZ-VIFPVBQESA-N 276.835 3.852 0 40 CHAB Cc1ccc(S(=O)(=O)Cc2c(C)cc(C)cc2C)cc1 1715617 RSISCRMJLBIOMG-UHFFFAOYSA-N 288.412 3.894 0 40 CHAB CC(C)C(=O)OC1(C[C@@H]2CCCCN2C)CCCCC1 2048283 CKEBQOGILHINAE-HNNXBMFYSA-N 281.440 3.763 0 40 CHAB CCN(CC)C(=O)c1cc(C)nc2c(C)c(C)ccc12 32580863 QBHLSVQLMWQIFR-UHFFFAOYSA-N 270.376 3.642 0 40 CHAB Cc1ccc2[nH]c(CNC(=O)c3ccc(F)cc3)cc2c1 4985764 DBZORWNYVHSMIT-UHFFFAOYSA-N 282.318 3.545 0 40 CHAB O=C(CNc1cccc2ccccc12)Nc1ccccc1 7955269 YHEFZWAMPBHNJH-UHFFFAOYSA-N 276.339 3.890 0 40 CHAB CC[C@@H](C)NC(=O)c1ccccc1SC(C)C 8500080 LDFIASCUYOGRET-LLVKDONJSA-N 251.395 3.715 0 40 CHAB C[C@H](c1cccs1)N(C)C(=O)Cc1ccc(F)cc1 53312623 MLYKRXSLSUSLBI-LLVKDONJSA-N 277.364 3.649 0 40 CHAB CC[C@@H](CNC(=O)c1ccc(F)cc1)c1ccccc1 8406972 YYNXJYJMEOFEAG-ZDUSSCGKSA-N 271.335 3.749 0 40 CHAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C)cc2)cc1 1402036 PEDMIZBKOBWUAP-VAWYXSNFSA-N 287.384 3.716 0 40 CHAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)c2ccccc2)c(C)c1 12769767 JAXPZRDZIXBGKN-OAHLLOKOSA-N 297.354 3.500 0 40 CHAB c1nc(Oc2ccc3c(c2)CCC3)c2sccc2n1 48391395 RBAPBUKTBJYPIZ-UHFFFAOYSA-N 268.341 3.972 0 40 CHAB CSCc1ccc(C(=O)Nc2nc(C)cs2)cc1 3504478 GZHVSFLGRPTGAX-UHFFFAOYSA-N 278.402 3.567 0 40 CHAB O=S(=O)(Cc1csc(C2CCCC2)n1)C1CCCC1 63926597 VLZHBEHQVFEBRW-UHFFFAOYSA-N 299.461 3.658 0 40 CHAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc12)C1CC1 14139538 BBRMBMRGEOIPMV-LLVKDONJSA-N 280.371 3.641 0 40 CHAB COc1cccc(OCc2nc(-c3ccc(C)cc3)no2)c1 4517010 MTZSPCCCEJDKPD-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB CCN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc23)C1=O 409064971 JSMNFGUVKBPFEC-MDWZMJQESA-N 286.356 3.533 0 40 CHAB c1csc(-c2nc(CN3CCc4ccccc43)co2)c1 7347892 SGLJRFKUDDZBJD-UHFFFAOYSA-N 282.368 3.966 0 40 CHAB Cc1csc(Sc2c(N)cccc2Cl)n1 19845691 MBFYVGNSRILWAL-UHFFFAOYSA-N 256.783 3.838 0 40 CHAB in-vitro CCC[C@H](C)C(=O)Nc1c(C)cc(N(C)C)cc1C 89949453 OHEKUALUFLQRDW-NSHDSACASA-N 262.397 3.744 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccn1 9833786 BJVQNJKHPSBRAH-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C(O)Cc1cc(Cl)c(Cl)c(C(F)(F)F)c1 98210818 MXOHUAPMMMOJLQ-UHFFFAOYSA-N 273.037 3.639 0 40 CHAB O=C(/C=C/c1ccc2ncccc2c1)c1cccnc1 68301188 ZKDMKQDULDHDOJ-SOFGYWHQSA-N 260.296 3.526 0 40 CHAB O=C(CCc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 25439939 LDJKRIIFHNVBDW-SFHVURJKSA-N 297.373 3.952 0 40 CHAB CCCCCOC(=O)c1cc(Br)ccc1O 39951693 ICTVJEPRLSQFEE-UHFFFAOYSA-N 287.153 3.502 0 40 CHAB CC[C@@H](N)c1cnc(N(C)c2ccccc2)c(C)c1 72222311 ZQFDJRIRGMHVOA-OAHLLOKOSA-N 255.365 3.568 0 40 CHAB CCn1ncc(C(=O)Nc2cc(Cl)ccc2Cl)c1C 32647757 GCHKAXQOILHMTM-UHFFFAOYSA-N 298.173 3.771 0 40 CHAB C[C@@H](Cc1nc2ccccc2s1)Sc1nncs1 79344943 XMKKIVDTZGFYLX-QMMMGPOBSA-N 293.442 3.871 0 40 CHAB CC(=O)c1cccc(NC(=O)NCc2sccc2C)c1 43237575 PKXAKKIIFQHSHJ-UHFFFAOYSA-N 288.372 3.581 0 40 CHAB Cc1cc(N)c2oc(Cc3ccc(Cl)cc3)nc2c1 41569336 DOQWQQLRAYEKMN-UHFFFAOYSA-N 272.735 3.963 0 40 CHAB Cc1cc(C)c(OCC[C@@H]2CCCNC2)c(Cl)c1 42770723 DXCQMOKWFCUHKT-ZDUSSCGKSA-N 267.800 3.725 0 40 CHAB Nc1ccc(-c2noc(-c3ccccc3)n2)c(Cl)c1 225175438 JSSJWBBDKKRUDK-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CCC[n+]1cccc(-c2nc3ccc(C)cc3o2)c1 226774691 KOIQYOKILCCTJM-UHFFFAOYSA-N 253.325 3.501 0 40 CHAB COc1ccc(CC(=O)c2c[nH]c3ccccc23)cc1OC 41485000 BXENIVOJSBCGJL-UHFFFAOYSA-N 295.338 3.611 0 40 CHAB S=C(Nc1cccnc1)NC1(c2ccccc2)CCCC1 225873793 HTKBEMRCZKQVGX-UHFFFAOYSA-N 297.427 3.838 0 40 CHAB Cc1cccc(Nc2ccc(N)cc2C(=O)OC(C)C)c1 225462969 ZMWGWUATLYXVKU-UHFFFAOYSA-N 284.359 3.886 0 40 CHAB Cc1ccc(C)c(NC(=S)NCCCc2ccco2)c1 225804198 KNHROKLBAGAIGK-UHFFFAOYSA-N 288.416 3.816 0 40 CHAB CCOc1ccc(CNc2cc(C)n(CC(C)C)n2)cc1 256050131 CVKIKVKAOREWCR-UHFFFAOYSA-N 287.407 3.858 0 40 CHAB Fc1ccccc1NC(=S)NC[C@H]1C[C@H]2CC[C@H]1C2 254490314 HOYMWKCTNPPLKR-SDDRHHMPSA-N 278.396 3.548 0 40 CHAB C[C@@H]1CCCN(c2ccc(Br)cc2F)C1 95915678 KLKNBIOPBDYNPM-SECBINFHSA-N 272.161 3.825 0 40 CHAB O=C(Cc1cccs1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 44231215 AJOTXCWNBYRRJD-ZJUUUORDSA-N 291.338 3.528 0 40 CHAB Oc1ccc(CCCNc2ncnc3ccc(F)cc23)cc1 92655736 AERVTLVVKQTOCB-UHFFFAOYSA-N 297.333 3.519 0 40 CHAB N[C@H](CCOc1ccccc1)c1ccc(Cl)cc1 37658133 HYDLQNLHUATIDN-OAHLLOKOSA-N 261.752 3.809 0 40 CHAB in-vitro CC(C)c1ccc(CNC(=O)c2ccccc2F)cc1 243592 UIQWFCYKTYETMP-UHFFFAOYSA-N 271.335 3.879 0 40 CHAB CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1N 5285168 DQCVPUYMOSNVFA-UHFFFAOYSA-N 255.385 3.602 0 40 CHAB O=Cc1ccc(Sc2nc3ccccc3s2)o1 5669802 QOMSTOWOVMDUQM-UHFFFAOYSA-N 261.327 3.853 0 40 CHAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@@H]1CC=CCC1 14688262 GETKIFDZLJVSRK-QFQXCOSMSA-N 273.420 3.675 0 40 CHAB Cc1ccc2nc(COc3ccccc3C)[nH]c2c1 5818397 HHUNHSHRAFRTHH-UHFFFAOYSA-N 252.317 3.759 0 40 CHAB c1ccc2cc(-c3cnc(=NCC4CC4)[nH]c3)ccc2c1 1889040930 NLXYAOFGZGUKHT-UHFFFAOYSA-N 275.355 3.541 0 40 CHAB Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)c(F)c1 33148537 YIZINYCGYKYHPS-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB O=C(CCc1ccccc1)Nc1ccc2scnc2c1 10217543 VYQFICXJBYWQBW-UHFFFAOYSA-N 282.368 3.868 0 40 CHAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@@H](c1cccnc1)N2 13132418 SIYCNGDFELIGGB-SFHVURJKSA-N 290.370 3.843 0 40 CHAB C[C@H]1CCC[C@@H](C)N1CCCOc1cccc(C=O)c1 217790612 WYOIWKKKCRPOMC-GASCZTMLSA-N 275.392 3.531 0 40 CHAB O=C(Nc1ccccc1F)N1CCC[C@H]1c1cccnc1 129698 YJYZQCROADTQPE-HNNXBMFYSA-N 285.322 3.590 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100631098 HLLMKAGHNZRMKS-DSJMHWKBSA-N 289.444 3.780 0 40 CHAB CC(C)CC(=O)N(Cc1ccccc1)c1ccccn1 30644 YDVNGOUWIUKIDI-UHFFFAOYSA-N 268.360 3.661 0 40 CHAB Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 68276 UAUSRDXUDXPKCZ-UHFFFAOYSA-N 266.266 3.900 0 40 CHAB CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 815136 RDLNQHZHSURBER-UHFFFAOYSA-N 299.157 3.787 0 40 CHAB Cc1ccccc1C(=O)c1ccc(CN2CC=CC2)cc1 2514879 WYMUARVBTCSDJQ-UHFFFAOYSA-N 277.367 3.598 0 40 CHAB C[C@H]1CCCCCC[C@H]1OC(=O)c1ccccc1C(=O)O 1707466 LVNFNHCIECVTQR-SWLSCSKDSA-N 290.359 3.901 0 40 CHAB O=C(O)CCCc1ccc(OCc2ccccc2)cc1 1720998 RKDXPVYOANKPNA-UHFFFAOYSA-N 270.328 3.673 0 40 CHAB CCC[C@H]1[C@@H](c2ccco2)N[C@H](c2ccco2)C[C@@]1(C)O 4301522 KRWCRLSHEPHBQC-MGBSGCIJSA-N 289.375 3.816 0 40 CHAB CCc1ccc(CNC(=O)Nc2cc(F)ccc2F)s1 45956986 VFRBZXQCJBEDRY-UHFFFAOYSA-N 296.342 3.910 0 40 CHAB Cc1ccc(CSc2nnc(C)s2)c(C)c1 6203528 MQHBEEICYKKKDO-UHFFFAOYSA-N 250.392 3.756 0 40 CHAB O=C(Nc1nc2c(Cl)cccc2s1)c1ccco1 364052 LSVARDCFNUAFAM-UHFFFAOYSA-N 278.720 3.795 0 40 CHAB CN(C)C(=O)c1ccccc1SCc1ccccc1 7684758 URZBNQQYSMCHJJ-UHFFFAOYSA-N 271.385 3.681 0 40 CHAB CC(C)Oc1ccc(Oc2ccc(C(=O)O)cc2)cc1 8700349 BFAGGMQCUVFICU-UHFFFAOYSA-N 272.300 3.964 0 40 CHAB CCCn1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc2ccccc21 102864013 KUNWDXMSOCRNOV-MGPQQGTHSA-N 297.402 3.821 0 40 CHAB c1ccc(N2N=N[C@H]3[C@@H]4C[C@H]([C@H]5CCC[C@@H]54)[C@H]32)cc1 104059241 DWLOBJXBLYSGOT-UGYDUONOSA-N 253.349 3.677 0 40 CHAB CCOC(=O)CCCCC(=O)c1ccc(F)cc1Cl 43214366 HPWSUMZNNNKCOT-UHFFFAOYSA-N 286.730 3.785 0 40 CHAB COc1ccc2c(c1)CCCN2C(=O)c1ccccc1C 24874658 PMBDROVAICQZSB-UHFFFAOYSA-N 281.355 3.597 0 40 CHAB Cc1ccc(C)n1[C@@H](CCO)c1cccc(Cl)c1 1384614 XSVVXIYJPGSYIQ-HNNXBMFYSA-N 263.768 3.730 0 40 CHAB O=C(NCCc1cccnc1)Nc1cccc2ccccc12 12537325 LJKJSPDBYYQTQC-UHFFFAOYSA-N 291.354 3.599 0 40 CHAB Clc1ccc2ncn3nc(-c4ccsc4)nc3c2c1 61720567 VMFDBGIQSLOGNV-UHFFFAOYSA-N 286.747 3.659 0 40 CHAB Cc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)n1 45028489 DFXJNOFGPNSSRM-UHFFFAOYSA-N 253.345 3.919 0 40 CHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)C[C@H]1C=CCC1 58718535 OOWKBSDYSVVOLU-NSHDSACASA-N 292.766 3.593 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccn[nH]1 4024863 WVVFQDIAEDHSSL-SSDOTTSWSA-N 257.120 3.857 0 40 CHAB COC(=O)c1cccc(Oc2ccc(Cl)cc2N)c1 14629388 UYMAFUQXZFHUMW-UHFFFAOYSA-N 277.707 3.501 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(F)cc1F 6789464 BJFUUAZWFFKFKH-UHFFFAOYSA-N 273.282 3.706 0 40 CHAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2F)cc1 7223238 RESFEVFUCKEHRU-LBPRGKRZSA-N 272.323 3.573 0 40 CHAB COCC[C@@H]1CCCCN1C(=O)c1cc(C)ccc1Cl 67885218 FHQGHCZQVQLKNZ-ZDUSSCGKSA-N 295.810 3.680 0 40 CHAB CCCO[C@@H]1CCCN(Cc2cccs2)CC1 93316932 WGXQEIWBNKXTEP-CYBMUJFWSA-N 253.411 3.529 0 40 CHAB CC(=O)c1ccccc1NC(=O)CNc1cccc(C)c1C 7953783 HUAILHJXHPFEFW-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1C1CCCC1 9377337 LJTNQLFSXMUUBU-QGZVFWFLSA-N 293.370 3.591 0 40 CHAB Cc1cccc(CS[C@H](C)C(=O)Nc2cc(C)on2)c1 71877691 JLACVZSAWKGIQR-GFCCVEGCSA-N 290.388 3.552 0 40 CHAB O=C(C[C@H]1CCCO1)Nc1cccc(NC2CCCC2)c1 71910821 IVOQDTLTFUPNLT-MRXNPFEDSA-N 288.391 3.549 0 40 CHAB c1ccc(COc2cccc(-c3ncc[nH]3)c2)cc1 98113595 NCDFZDMLHRVVBB-UHFFFAOYSA-N 250.301 3.656 0 40 CHAB Cc1nnc(NCc2csc(-c3cccs3)n2)s1 95990011 AGKBUTWOCIBURY-UHFFFAOYSA-N 294.430 3.644 0 40 CHAB Cc1cccc(CNC(=O)c2cc3ccccc3o2)c1 31107541 ZMVYXBZDZSCIRU-UHFFFAOYSA-N 265.312 3.671 0 40 CHAB CSc1ccc(CN(C)C(=O)Cc2ccc(C)cc2)cc1 72728984 RZQPKBQZHMNVIP-UHFFFAOYSA-N 299.439 3.918 0 40 CHAB CSc1ncccc1[C@@H]1CCCCN1C(C)C 72216962 ZSXAXJUGCFLXHX-ZDUSSCGKSA-N 250.411 3.739 0 40 CHAB Clc1ccc(-c2cnc3n2CCS3)c(Cl)c1 41104935 DEQPTEHXKLGUFO-UHFFFAOYSA-N 271.172 3.963 0 40 CHAB Cc1cc([C@H](O)c2ccccc2)cnc1NC(C)(C)C 72222930 BVCHAJIPQSECIF-OAHLLOKOSA-N 270.376 3.682 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1ccsc1 40534442 HKROUGIRTYZOIK-GXTWGEPZSA-N 261.390 3.768 0 40 CHAB CN1CC2=C(C1=O)c1ccccc1Oc1ccc(Cl)cc12 44699450 UEFINICFHHBHJQ-UHFFFAOYSA-N 297.741 3.829 0 40 CHAB in-vitro C[C@H](NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCC2 223148691 PPGDLSHVAWGZPL-LBPRGKRZSA-N 283.346 3.805 0 40 CHAB NC(=O)/C=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 45016358 OOCDBPCZWQPKJV-RQOWECAXSA-N 282.126 3.752 0 40 CHAB FC(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 47212657 UHDXKDKEIWQILI-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB CCC[n+]1cccc(-c2nc3ccccc3s2)c1 226774232 KXGRNQXPGQRDKU-UHFFFAOYSA-N 255.366 3.661 0 40 CHAB CCCN1c2c(OC)cc(C=O)cc2C(C)=CC1(C)C 223181779 BAUNJXATIXAXOM-UHFFFAOYSA-N 273.376 3.920 0 40 CHAB CC[C@@H](C)n1c(CCCCCN)nc2ccccc21 40163851 OJZMURRQUJAIHH-CYBMUJFWSA-N 259.397 3.679 0 40 CHAB CCOCc1cc(C(=O)Nc2ccccc2)ccc1OCC 224693421 TXCPYCKEKULUIN-UHFFFAOYSA-N 299.370 3.874 0 40 CHAB CNc1cc(C)c2oc(-c3ccc(OC)c(OC)c3)nc2c1 226272011 KTPMTXPCKSGIOY-UHFFFAOYSA-N 298.342 3.862 0 40 CHAB Cc1cccc(C)c1C(=O)c1ccc(C2OCCO2)s1 43210453 ZSJBZMSACZPPNK-UHFFFAOYSA-N 288.368 3.641 0 40 CHAB Clc1ccc(CN2CC[C@H]3NCCCC[C@H]32)cc1Cl 257329953 XMEJQDHLJVQBFW-HUUCEWRRSA-N 299.245 3.710 0 40 CHAB Clc1ccc2nc(N3C[C@H]4CCC[C@H]4C3)cnc2c1 624031274 BQHPJUNGKSPLAO-PHIMTYICSA-N 273.767 3.520 0 40 CHAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccco1 390826795 PQWJQFJSCIXGSD-CYBMUJFWSA-N 289.381 3.922 0 40 CHAB Cc1ccsc1C(=O)NCCc1c[nH]c2ccccc12 14141076 LKCDPAXZFZKOOC-UHFFFAOYSA-N 284.384 3.510 0 40 CHAB O=C1c2ccccc2C[C@H]1c1ccc(Br)cc1 936068977 PUECTMZRCBCTDV-AWEZNQCLSA-N 287.156 3.972 0 40 CHAB COCc1ccccc1C(=O)Nc1cccc([C@H](C)OC)c1 69584629 XQUJKBUMRHDGIZ-ZDUSSCGKSA-N 299.370 3.793 0 40 CHAB S=C(NC1CCCCC1)NC1C2CC3CC(C2)CC1C3 5612816 YFVCQJDJYORFAX-UHFFFAOYSA-N 292.492 3.608 0 40 CHAB c1ccc(COc2cc(OCc3ccccc3)ncn2)cc1 12359478 WFHVBLJSKBEUKF-UHFFFAOYSA-N 292.338 3.635 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(OC)c1 14022556 DVJCPKKYLQNIQT-KRWDZBQOSA-N 299.370 3.800 0 40 CHAB COc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1C 13972060 RHPSSBCGXVQOAT-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCCC2)cc1 5383809 KBBCOSNANHQERP-DHZHZOJOSA-N 257.377 3.620 0 40 CHAB CCCCC(=O)Nc1cccc(-c2cn3cccnc3n2)c1 4032992 DAVHKVVEHHTZOD-UHFFFAOYSA-N 294.358 3.525 0 40 CHAB CN(C)c1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1 5265507 AZKHTINFTDIDNS-UHFFFAOYSA-N 294.358 3.878 0 40 CHAB O=C1C[C@H](c2cc(F)ccc2F)c2sccc2N1 12428518 QFMDLGYKZHBMEV-SECBINFHSA-N 265.284 3.500 0 40 CHAB CC(C)Sc1nnc(COc2ccc(Cl)cc2)o1 40456967 XRBFNOPWGKHLKL-UHFFFAOYSA-N 284.768 3.803 0 40 CHAB Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)O)cc3)c2)o1 29131104 VROADSGRHRDRSN-UHFFFAOYSA-N 294.310 3.719 0 40 CHAB COc1ccc(-c2ccncc2Br)cc1 3880925 OHGNCIYQZUABSZ-UHFFFAOYSA-N 264.122 3.520 0 40 CHAB O=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)[C@H]1CCCC[C@]21O 4026429 HRLRAZZTFFAGBS-VYIWNADRSA-N 284.399 3.691 0 40 CHAB CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 324997 HOBWTDDVUCBMFK-QGZVFWFLSA-N 278.355 3.774 0 40 CHAB CC(=O)C(C(C)=O)[C@@H](c1ccccc1)c1ccc(C)cc1 378229 BDMRIQIABQKTQP-IBGZPJMESA-N 280.367 3.921 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1 379501 OSTCEOLLUYNHDI-CQSZACIVSA-N 285.412 3.625 0 40 CHAB C[C@H](c1ccccc1)N(C)C(=O)c1cc(Cl)ccn1 32731129 VDKDYBWNDIMMTP-LLVKDONJSA-N 274.751 3.568 0 40 CHAB O=C(NCc1ccccc1)c1cc(Cl)ccc1Cl 577935 FPHUTCGFCNUDIB-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Cl 501515 LXTTXPJAPFDZGQ-UHFFFAOYSA-N 288.945 3.872 0 40 CHAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(C)C 502574 FVUWGQXOFSLWEE-UHFFFAOYSA-N 297.420 3.718 0 40 CHAB CN(Cc1ccccc1)C(=O)CCc1ccccc1Cl 50123405 ATHPSUZWFDYVIQ-UHFFFAOYSA-N 287.790 3.931 0 40 CHAB CCCC[C@@](C)(N)c1cccc(Br)c1 53756913 GANQTPZONDWWAN-GFCCVEGCSA-N 256.187 3.813 0 40 CHAB in-vitro CCCCCNC(=O)CCc1ncc(-c2ccccc2)o1 54562849 FVPCCMSEHRYARB-UHFFFAOYSA-N 286.375 3.581 0 40 CHAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O)cc12 3180205 RBMBWNXBCRAGPO-UHFFFAOYSA-N 292.747 3.747 0 40 CHAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccncc1 12543553 NWHBYVWLNQWGCK-UHFFFAOYSA-N 284.359 3.531 0 40 CHAB Cc1nc(Cl)cc(N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 106866598 DMUAXOHXOBUXAQ-PDEGPIFNSA-N 265.788 3.675 0 40 CHAB O=C(NCC1CC1)c1ccccc1Nc1ccccc1 26202745 QQAFPLOVKTUZSA-UHFFFAOYSA-N 266.344 3.570 0 40 CHAB Cc1noc([C@H](C)Sc2nc3ccc(Cl)cc3[nH]2)n1 12824904 OMSMHRDYEWKVLL-LURJTMIESA-N 294.767 3.761 0 40 CHAB CCCCN[C@H](C)c1ccc(Br)s1 38001674 RUJOVBANFACBNC-MRVPVSSYSA-N 262.216 3.961 0 40 CHAB COc1ccccc1C(=O)N[C@@H](C)c1cc2ccccc2o1 12935212 HPBSMTDNVNVRKM-LBPRGKRZSA-N 295.338 3.932 0 40 CHAB CCCCc1ccccc1NC(=S)NC(C)C 13793472 KPJQXEALSKKMIT-UHFFFAOYSA-N 250.411 3.724 0 40 CHAB O=C1C[C@H](c2ccccc2Cl)c2ccc(O)cc2N1 66089325 MFVFAMJUAJMUMQ-GFCCVEGCSA-N 273.719 3.520 0 40 CHAB C[C@@H](NC(=O)c1ccccn1)c1ccc2ccccc2c1 14424684 IHOCXTRIKARHCW-CYBMUJFWSA-N 276.339 3.726 0 40 CHAB CCCCN[C@@H](C)c1cccc(Br)c1 19906961 ZVPDAJUXNRWLGV-JTQLQIEISA-N 256.187 3.900 0 40 CHAB O=C(OCc1cccnc1)c1ccc(OC2CCCC2)cc1 84425088 KRIPXKGHSZLSIZ-UHFFFAOYSA-N 297.354 3.760 0 40 CHAB CCO[C@H](C)c1noc(-c2coc3ccccc23)n1 95397751 MMMWHBSTQBSTPM-SECBINFHSA-N 258.277 3.580 0 40 CHAB CCN(CCCC(=O)O)c1cccc2ccccc12 20433380 WIWVWKBVHCTJNR-UHFFFAOYSA-N 257.333 3.531 0 40 CHAB Cc1ccc2nc(SC(=O)c3ccccc3)[nH]c2c1 408624682 VPLPASCXOCOOMN-UHFFFAOYSA-N 268.341 3.804 0 40 CHAB CNC[C@@H](OC(C)C)c1cc(Cl)ccc1Cl 62711682 DAXVUPUZULQQMA-GFCCVEGCSA-N 262.180 3.679 0 40 CHAB CCOC(=O)c1sc(Nc2ccccc2CC)nc1C 70451595 UDJSNVAXHASFFJ-UHFFFAOYSA-N 290.388 3.934 0 40 CHAB COc1ccc([C@@H]2CCCCCN2C(=O)C2CCC2)cc1 32823479 NNESTAUKJICXJM-KRWDZBQOSA-N 287.403 3.939 0 40 CHAB O=C(CCCc1cccs1)Nc1ccc2c(c1)CCO2 32787414 FEINYLLZYRJUGS-UHFFFAOYSA-N 287.384 3.644 0 40 CHAB CC(C)N1CCC[C@H]1c1ccc(N2CCCCC2)nc1 72216042 KPLKULCAKVVYMX-INIZCTEOSA-N 273.424 3.617 0 40 CHAB NC(=O)c1ccc2nc(-c3ccccc3Cl)sc2c1 73740363 MPWPDXMXFUXSRC-UHFFFAOYSA-N 288.759 3.716 0 40 CHAB O[C@]1(C(F)(F)F)ON=C2/C(=C\c3ccccc3)CCC[C@@H]21 33369478 RHOOTQAOZKPADG-PEJGCUSZSA-N 297.276 3.507 0 40 CHAB Cc1cccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)c1 225017484 LFFYVNYBZSIQRC-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB COc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1Cl 225609152 CIPHGTOCADHEJB-OAHLLOKOSA-N 299.798 3.738 0 40 CHAB COc1ccc(CN(C)C(=O)c2cc(C)c(C)cc2C)cc1 225648432 DBKYVZZDEKGKSB-UHFFFAOYSA-N 297.398 3.893 0 40 CHAB O=C(Cc1ccc(F)cc1)NCc1cccc2ccccc12 222893738 ZWCDBMDSRGGYHC-UHFFFAOYSA-N 293.341 3.838 0 40 CHAB COc1ccc(NC(=S)NCCSC(C)(C)C)cc1 225350196 ZRPJNHGAXVXAOK-UHFFFAOYSA-N 298.477 3.513 0 40 CHAB Cc1ccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 222566707 WWJCMYLFAGRXTL-UHFFFAOYSA-N 297.442 3.931 0 40 CHAB Cc1cc(NCc2ccccc2)c(C(=O)O)cc1C 255187763 GPLVABKVHGZDAD-UHFFFAOYSA-N 255.317 3.614 0 40 CHAB CC[C@H](C)Oc1ccccc1[C@@H](C)NC[C@H]1CCCO1 260571611 AEGZFYICSOOIQG-RRFJBIMHSA-N 277.408 3.694 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CC(C)C 44685444 IEAPBHXOTLXGMX-ZDUSSCGKSA-N 263.381 3.764 0 40 CHAB C[C@H](c1cccnc1)N(C)C(=O)CCC1CCCC1 68171997 SDNNEEIKEFVIOB-CYBMUJFWSA-N 260.381 3.571 0 40 CHAB CNc1snc(C)c1C(=O)NCC1CCCCCCC1 84026802 HGUSTVVWKDICOA-UHFFFAOYSA-N 295.452 3.584 0 40 CHAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(F)cc2)c1 2628434 KKUTXBKYCKQMPU-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB CCOC(CN(N=O)c1ccccc1C(C)C)OCC 5104152 BCOFJDFHCTXOTG-UHFFFAOYSA-N 280.368 3.697 0 40 CHAB COc1ccc(/C(Cl)=C/C=[N+]2CCCCC2)cc1 5720371 GNSAHNIURLFXHH-DHDCSXOGSA-N 264.776 3.542 0 40 CHAB Cc1cccc(NCc2cc3cccc(C)c3[nH]c2=O)c1 12492327 MMGHIJPMFSSZPQ-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1ccc(NC(=O)CSc2nc(C)cs2)c(C)c1 3413936 XHIWTUGFYYIFJK-UHFFFAOYSA-N 292.429 3.799 0 40 CHAB COc1ccc2cc(-c3cccc(C)c3)oc(=O)c2c1 1857783245 BZIIANKGWKREIK-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB O=C(Nc1ccccc1)Nc1ccc(F)c(F)c1F 19074902 NTCBHROQNRJBSD-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB COc1ccc(C2=NO[C@H](c3ccc(C)cc3)C2)cc1 32934866 ILXYEENTFHYIFP-KRWDZBQOSA-N 267.328 3.869 0 40 CHAB CCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12 17746566 XNTQJLCMGIRUOR-UHFFFAOYSA-N 286.404 3.947 0 40 CHAB COc1ccc(C(=O)c2cc(Cl)ccc2F)cc1 36941976 HAAXMPVCDNWNRE-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB O=Cc1ccccc1OCCCN1CCCc2ccccc21 8703244 ILSJHVUEDYXGOB-UHFFFAOYSA-N 295.382 3.721 0 40 CHAB CCCC(=O)Nc1ccccc1S[C@@H](CCC)C(=O)O 8732822 AAADDHRNNAXANB-ZDUSSCGKSA-N 295.404 3.771 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC(Cc2ccccc2)CC1 40160333 JGCYXEXWKCTYTB-GOSISDBHSA-N 283.415 3.824 0 40 CHAB Cc1nc(=S)c2c3c(sc2[nH]1)C[C@@H](C)CC3 87602 STYHHWUIXZJFSZ-LURJTMIESA-N 250.392 3.787 0 40 CHAB C[C@@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 71121593 FAMHFRHHDYCPMD-CYBMUJFWSA-N 276.339 3.726 0 40 CHAB O=C(O)CCCC(=O)c1cccc(Oc2ccccc2)c1 2580001 LZGWDNAFPYZAQT-UHFFFAOYSA-N 284.311 3.917 0 40 CHAB Cc1noc([C@H](C)S[C@H](C)c2nnc(CC(C)C)o2)n1 89718576 BBKQUYRKIQGJKW-DTWKUNHWSA-N 296.396 3.515 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 253748 QPOUGHQRILNRSG-CNELAYHGSA-N 269.319 3.716 0 40 CHAB CC(=O)c1cc(C(C)(C)c2ccccc2)ccc1N 1691940 SSWIBGLUHYFFML-UHFFFAOYSA-N 253.345 3.797 0 40 CHAB CCOc1ccccc1NC(=O)/C=C/c1ccc(F)cc1 1930549 LHUOEWZFLVVBLQ-FMIVXFBMSA-N 285.318 3.876 0 40 CHAB CC(C)OC(=O)c1ccc(-c2ccccc2C=O)cc1 2528982 KGWIZKSPGYRXEE-UHFFFAOYSA-N 268.312 3.731 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1OC 6351494 FUTXPYRAOPXSEO-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB CC[C@H](C)C(=O)Nc1ccc(Cl)c2cccnc12 32907139 OTKMLYKJAJGHKC-VIFPVBQESA-N 262.740 3.873 0 40 CHAB C[C@H](NC(=O)C1(C)CCCCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 100663379 ZEDXCBOWIYGFBY-GBJTYRQASA-N 263.425 3.898 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccon1 70012410 HLSCNLQRXNKIMU-JTQLQIEISA-N 250.729 3.521 0 40 CHAB CCC[C@@H](C)c1nnc(NC(=O)c2ccc(F)cc2)s1 815551 AYYCWNHBILKUOW-SECBINFHSA-N 293.367 3.833 0 40 CHAB CCCc1sc(C(=O)Nc2nnc(C)s2)cc1CC 23625289 RVMGQPOPJOQUKA-UHFFFAOYSA-N 295.433 3.675 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc2ncccc12 12528088 TWAKTKCJRUKXKH-UHFFFAOYSA-N 288.350 3.976 0 40 CHAB C[C@H](NC(=O)c1c[nH]c2ccccc12)c1ccccc1 1399482 VIVUWJYJDRCDBQ-LBPRGKRZSA-N 264.328 3.659 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)c1c2c(C(=O)O)nn1-c1ccccc1 100306068 TWKWHPUPCOCRHI-KZULUSFZSA-N 296.370 3.745 0 40 CHAB CCCOc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 8565777 BWAMZZXIKBGRTD-CQSZACIVSA-N 283.371 3.966 0 40 CHAB O=C(CCC1CCCCC1)Nc1ccc2c(c1)CCO2 27132054 FZGKCUYNYFJINR-UHFFFAOYSA-N 273.376 3.921 0 40 CHAB Cc1nn(Cc2ccccc2)c(C)c1CNC1CCCCC1 58158601 GKXFFKRNDJHMII-UHFFFAOYSA-N 297.446 3.971 0 40 CHAB Clc1ccc(CNc2ncnc3sccc23)cc1 3357719 JVALUGJIYJSMDJ-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB c1ccc(-c2csc(NCCc3ccccn3)n2)cc1 58228506 NLGIGGHGVMPPJB-UHFFFAOYSA-N 281.384 3.860 0 40 CHAB Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 2168601 AHIFAQQLUMZAGP-UHFFFAOYSA-N 292.304 3.850 0 40 CHAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O)c1 3394010 ZQVPGGFOHOFXAB-UHFFFAOYSA-N 296.301 3.685 0 40 CHAB Cc1cnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 3345294 PBEJMKLZZBKJMS-UHFFFAOYSA-N 285.372 3.802 0 40 CHAB C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)s1 36393563 PAHRYNSSPZJLBS-ZCFIWIBFSA-N 289.187 3.874 0 40 CHAB Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)n1 48782740 UBXVRMNEFHFGIC-QWRGUYRKSA-N 286.297 3.697 0 40 CHAB OC1=Nc2ccsc2[C@@H](c2cccnc2)SC1 71282772 PUUIORGFULEDAT-LLVKDONJSA-N 262.359 3.567 0 40 CHAB COc1ccc(Cl)cc1NC1=NCC(C)(C)S1 4207772 KURPUHPRWXEEKV-UHFFFAOYSA-N 270.785 3.642 0 40 CHAB COc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 70238362 TVAKYTOSVQGDKC-UHFFFAOYSA-N 258.708 3.892 0 40 CHAB COc1cccc2sc(NC(=O)c3ccccc3)nc12 6182535 ZDBCPDBLXXFMOZ-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB O=C(Nc1cccc(COCC2CC2)c1)Nc1ccccn1 65015277 JXWDVWSLXHKIRZ-UHFFFAOYSA-N 297.358 3.652 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 5374270 RVHBPXLFDIMWGH-GFCCVEGCSA-N 273.763 3.760 0 40 CHAB CO[C@@H]1c2ccccc2C(=O)N1[C@H]1CCCc2ccccc21 4670556 NTTAACPSKCBGQB-PKOBYXMFSA-N 293.366 3.865 0 40 CHAB Cc1cc(C)c(NC(=O)c2cccc(N(C)C)c2)c(C)c1 5798695 UUMVLKMLAHQNFJ-UHFFFAOYSA-N 282.387 3.930 0 40 CHAB Cc1cccc(C)c1NS(=O)(=O)c1cccc(Cl)c1 7409038 VBEKRXNVZKHNNI-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NC2CCCCC2)o1 16202640 XQKXBURFIIYKFA-HQBMLVTCSA-N 273.376 3.865 0 40 CHAB CN(CC(C)(C)O)C(=O)N(c1ccccc1)c1ccccc1 96007778 ZIEHXPSLJWPNLR-UHFFFAOYSA-N 298.386 3.647 0 40 CHAB COc1ccccc1CSc1nncn1-c1ccccc1 9322838 HXDNODIIJSFDJK-UHFFFAOYSA-N 297.383 3.568 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1C 65721610 CRGWIIQGFBFKJG-INIZCTEOSA-N 297.398 3.809 0 40 CHAB COc1ccccc1C[C@H](C)Nc1c(C)noc1C1CC1 97162393 MUQXUXJBKOGRTJ-NSHDSACASA-N 286.375 3.912 0 40 CHAB CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C)C[C@@H]1C 95407512 YYJKHSYWKMSSGB-RYUDHWBXSA-N 294.370 3.877 0 40 CHAB C[C@H](O)c1ccccc1NC(=O)c1nccc2ccccc12 95955484 BVOIEAAKGMGMCN-LBPRGKRZSA-N 292.338 3.540 0 40 CHAB O[C@@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1 68864288 OQKOJXPMVCEZJE-ZDUSSCGKSA-N 268.234 3.667 0 40 CHAB Cc1cccc([C@@H](O)c2ccc(Br)cc2)c1 37464417 UKLHVCVSCLGKJJ-AWEZNQCLSA-N 277.161 3.839 0 40 CHAB O[C@](CCN1CCCCC1)(c1ccccc1)C1CCCC1 2041282 SWRUZBWLEWHWRI-LJQANCHMSA-N 287.447 3.940 0 40 CHAB biogenic,world CCCc1cc(NC(=O)c2cc3c(C)c(C)ccc3[nH]2)n[nH]1 523952162 SGFFRRYQDBLKFE-UHFFFAOYSA-N 296.374 3.713 0 40 CHAB C[C@H]1CCC[C@@H](NC(=S)Nc2ccccc2)[C@@H]1C 4622237 POCWVXYCWXWCGM-OUCADQQQSA-N 262.422 3.798 0 40 CHAB COC(=O)c1cccc(OCc2ccc(F)cc2Cl)c1 72099903 VRFALDIIMIAOSE-UHFFFAOYSA-N 294.709 3.845 0 40 CHAB CC(C)N1CCC[C@H](Cc2cccc(Br)n2)C1 72363351 PVZVDGJSUZKDBO-GFCCVEGCSA-N 297.240 3.507 0 40 CHAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1ccc(F)cc1 79498340 NLZQILNSIMSWMK-UHFFFAOYSA-N 295.317 3.832 0 40 CHAB CC(C)Sc1ccccc1C(=O)N[C@H](C)C(C)C 225221806 DQUHHWITPCWWNY-GFCCVEGCSA-N 265.422 3.961 0 40 CHAB COc1ccc(-c2ccc(C=O)s2)cc1Cl 40449449 IDZUCYWWDZSWIN-UHFFFAOYSA-N 252.722 3.890 0 40 CHAB CC1(C)CC(=O)[C@@H]2C(c3cccc4ccccc34)=NN[C@H]2C1 228920048 LKVVFJUYXUZCIV-DOTOQJQBSA-N 292.382 3.521 0 40 CHAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1 40945958 HMTQMUCHMOQONN-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB CCCNc1ccc(CNC(=O)Nc2ccncc2C)cc1 192418766 URZXMJMQCCEOTH-UHFFFAOYSA-N 298.390 3.534 0 40 CHAB COc1cc(CN[C@H](C)c2cc3ccccc3o2)ccn1 62057914 ZOVVZYQUYJHNNE-GFCCVEGCSA-N 282.343 3.687 0 40 CHAB CC[C@@]1(C)Oc2ccc(NCc3cccnc3)cc2O1 191095018 ZETWSZMMXZWFJL-INIZCTEOSA-N 270.332 3.591 0 40 CHAB CN(C)CCCOc1ccc2c(Cl)csc2c1 228933849 QMYDIZFTWUBOQG-UHFFFAOYSA-N 269.797 3.885 0 40 CHAB Cc1ccccc1[C@H](NCc1ncc[nH]1)C(C)(C)C 80347432 RJOQDENIAXTRHU-HNNXBMFYSA-N 257.381 3.595 0 40 CHAB Cc1nc([C@]2(C)CCCN(CC(C)C)C2)c2sccn12 257301432 RYKNEYGQKJDPMA-MRXNPFEDSA-N 291.464 3.714 0 40 CHAB Oc1nc2ccccc2cc1-c1nc2ccccc2o1 255190098 UZHSRRYFUDNXDV-UHFFFAOYSA-N 262.268 3.749 0 40 CHAB CCCNC(=O)N1CCC[C@@H]1CC1CCCCC1 84756515 VGDAKCHSBZPJIM-CQSZACIVSA-N 252.402 3.541 0 40 CHAB O=C1Nc2ccccc2S/C1=C\c1ccc(F)cc1 216769 KKKRSCYJKOXDIT-ZROIWOOFSA-N 271.316 3.911 0 40 CHAB O=C(Cc1cc(-c2ccccc2)on1)Nc1ccccc1 12861705 VVXCTRPNDIFHGE-UHFFFAOYSA-N 278.311 3.523 0 40 CHAB CCC[C@@H](C(=O)Nc1nc(C)cs1)c1ccccc1 15007205 PODJPQZVIJBYBF-CYBMUJFWSA-N 274.389 3.974 0 40 CHAB Cc1cccc(NC(=O)C2(c3ccccc3)CC2)c1 16028492 FBZVQLDOHXBFPB-UHFFFAOYSA-N 251.329 3.665 0 40 CHAB 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 524732079 WDTAJXMIXADUTH-XCBYOTJYSA-N 291.479 3.717 0 40 CHAB biogenic Cc1ccccc1C(=O)NCc1ccc2c(c1)cc(C)n2C 4061473 ZCLWVTPYSHANJZ-UHFFFAOYSA-N 292.382 3.725 0 40 CHAB COc1c(F)cccc1C(=O)CCc1ccccc1 575359174 UTOQOPCZIPMGTK-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB CCOCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 28879178 ZYDFBYPIRMGVPU-UHFFFAOYSA-N 285.343 3.762 0 40 CHAB CN(C)CC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 3440359 BTBULJRWJCQFTP-UHFFFAOYSA-N 292.382 3.590 0 40 CHAB O=C(COC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 11565736 PMAVEVXOYSPROQ-UHFFFAOYSA-N 292.693 3.519 0 40 CHAB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 7037293 XMPJBGQXPCCKQX-QGZVFWFLSA-N 299.370 3.585 0 40 CHAB CCCCCC[C@]1(CC)NC(=S)N(CCC(C)C)N1 9189212 AOMHCQDBAYRZEO-OAHLLOKOSA-N 285.501 3.804 0 40 CHAB CSc1cccc(Nc2ccnc(Cl)n2)c1 54917663 LMVANXZRWWSSQU-UHFFFAOYSA-N 251.742 3.596 0 40 CHAB in-vitro C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 106638860 HYVYTRFOOREVKP-ZIAGYGMSSA-N 282.387 3.509 0 40 CHAB CN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1 27987768 AZXAPGBEAVKAAT-PTNGSMBKSA-N 296.757 3.600 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(OC(F)F)c1 48259120 RPQCEOBOXQVXEB-SNVBAGLBSA-N 267.275 3.583 0 40 CHAB Cc1cccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 12893243 IMFPRWOTDGLHFV-QGZVFWFLSA-N 296.370 3.600 0 40 CHAB COc1ccc2nccc(Oc3cccc(N)c3)c2c1 64875306 RFGCYYYIEMRTKH-UHFFFAOYSA-N 266.300 3.618 0 40 CHAB Cc1[nH]c2c(C)ccc(C)c2c(=O)c1CN1CCCC[C@@H]1C 5800599 REGDHZGHWTUHJC-AWEZNQCLSA-N 298.430 3.828 0 40 CHAB C[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1 7751030 ABWLIHGBNURMJW-CYBMUJFWSA-N 291.354 3.568 0 40 CHAB CCOC(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1 7914744 MRHFZGUNHNTREU-UHFFFAOYSA-N 298.342 3.816 0 40 CHAB FC(F)(F)c1ccc2[nH]c(C(F)(F)F)nc2c1 16431089 BKFXAUQYNCJXIZ-UHFFFAOYSA-N 254.133 3.601 0 40 CHAB O=C(CCc1cccs1)Nc1cccc2ncccc12 8071455 IFHMWRVVSVJKRM-UHFFFAOYSA-N 282.368 3.868 0 40 CHAB CC1(C)[C@H](c2ccccc2)C[C@H]1NCCc1ccccn1 96009130 FTXAAYUKEPUHMN-ZWKOTPCHSA-N 280.415 3.796 0 40 CHAB CCC(=O)c1ccc(O[C@@H](C)c2nc(C(C)C)no2)cc1 72296228 LHUOIOAXSQGKDU-NSHDSACASA-N 288.347 3.926 0 40 CHAB c1ccc(Oc2cccc(N[C@H]3CCSC3)c2)nc1 97108571 JSEBRFOMEOGPES-ZDUSSCGKSA-N 272.373 3.791 0 40 CHAB C[C@H](c1ccccc1)[C@H]1NN=C(c2ccccc2)S1 409080012 HJKBWXRGVJJQGO-DOMZBBRYSA-N 268.385 3.814 0 40 CHAB Cc1cccc2nc(CN[C@H](C)c3ccc(F)cc3)cn12 95422249 NKSJJXBPHAEPCF-CYBMUJFWSA-N 283.350 3.633 0 40 CHAB O=C(Nc1ccnc(Oc2ccccc2)c1)N1CCCC1 98014265 UDQDHXZDMVIPPH-UHFFFAOYSA-N 283.331 3.502 0 40 CHAB CNC[C@H](OC(C)C)c1ccc(Cl)cc1Cl 62711727 ZEACSUMQHSFARU-LBPRGKRZSA-N 262.180 3.679 0 40 CHAB c1ccc2oc(N3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)nc2c1 1548851586 IVWXSXMCJGJJBR-HIFRSBDPSA-N 298.386 3.613 0 40 CHAB O=C(NCCc1cccc2ccccc12)[C@@H]1CC=CCC1 32915111 QUPSQTRNXNMUCN-QGZVFWFLSA-N 279.383 3.855 0 40 CHAB CC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2F)C[C@@H]1O 507809399 XNZMUGNVZYUCDN-KUHUBIRLSA-N 299.389 3.695 0 40 CHAB O=Nc1c(-c2ccc3ccccc3c2)nc2ncccn12 3848888 BFDURQVNMBETHN-UHFFFAOYSA-N 274.283 3.947 0 40 CHAB biogenic CCCN(CCC)c1ncc(Br)cc1C 42783637 QUBQCFJIRIPCQS-UHFFFAOYSA-N 271.202 3.779 0 40 CHAB CCCOc1ccc(CNC(=O)c2ccccc2F)cc1 46179638 HNCLMBFOSCNSRZ-UHFFFAOYSA-N 287.334 3.545 0 40 CHAB Nc1ccc(Nc2ccc(Cl)c(F)c2)c(C(=O)O)c1 49124957 LFZQSAPAURUGRC-UHFFFAOYSA-N 280.686 3.503 0 40 CHAB O=C(c1c[nH]c2c(Br)cccc12)C(F)(F)F 199608498 MEQBSLJXHYWUFU-UHFFFAOYSA-N 292.054 3.675 0 40 CHAB Cc1cc(NCCCN)c2cc(Cl)cc(Cl)c2n1 222689325 AEPNWYRKFWFLIO-UHFFFAOYSA-N 284.190 3.611 0 40 CHAB CCCCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 44885906 DUIYCUGLTRSSQJ-OAHLLOKOSA-N 277.408 3.686 0 40 CHAB CC[C@H](C)CCOC(=O)c1snnc1-c1ccccc1 223832878 AKLIWINQGCXJJQ-NSHDSACASA-N 290.388 3.798 0 40 CHAB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1CCC(=O)O 41463061 WKTOIVAJCZUKTC-UHFFFAOYSA-N 286.375 3.630 0 40 CHAB CCCOc1ccc(NC(=O)C(C)(C)OCCC)cc1 225726276 RGIINOUEXWXHTO-UHFFFAOYSA-N 279.380 3.619 0 40 CHAB Clc1cc(Cl)cc(-c2noc(C3CCNCC3)n2)c1 199783456 NQVZGMFYNSNPBP-UHFFFAOYSA-N 298.173 3.510 0 40 CHAB O=C(CCc1ccccc1)NCc1ccc(-c2ccoc2)o1 575609751 GCQBFLNEWOTKOF-UHFFFAOYSA-N 295.338 3.789 0 40 CHAB Oc1cc(O)c(-c2ccc(C(F)(F)F)cc2)c(Cl)n1 585090172 CMOBACQOIFHDMN-UHFFFAOYSA-N 289.640 3.832 0 40 CHAB CCc1ccc(C(=O)N(C)c2nc3ccccc3o2)cc1 57547317 NNEQRMYFZMLZOD-UHFFFAOYSA-N 280.327 3.667 0 40 CHAB C[C@H](O)c1cc(Br)cc(C(F)(F)F)c1 91252070 ZAMLJWRQAZAASU-YFKPBYRVSA-N 269.060 3.521 0 40 CHAB CC[C@H](C)NCc1cc(C)c(OC(F)F)c(C)c1 96971321 DPIFYGUQULZYQT-NSHDSACASA-N 257.324 3.793 0 40 CHAB C=Cc1ccc(O[C@@H](C)OCC)c(O[C@H](C)OCC)c1 146267700 XVPZIOWIVKQPLK-QWHCGFSZSA-N 280.364 3.852 0 40 CHAB CC(C)(C)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1 16947807 IJMMTTYAKBNDHF-UHFFFAOYSA-N 279.339 3.786 0 40 CHAB O=C(Nc1ccc(F)cc1)C1[C@H]2CCC=CCC[C@@H]12 5022805 YXHKVKSCJUBPED-YIONKMFJSA-N 259.324 3.757 0 40 CHAB COc1ccc(-c2csc(NC(=O)C(C)C)n2)cc1F 13571746 YHWSEEZWDYPAKC-UHFFFAOYSA-N 294.351 3.552 0 40 CHAB c1ccc(C(O[C@H]2CCCNC2)c2ccccc2)cc1 14982770 ZVMFVQWWCVDATC-KRWDZBQOSA-N 267.372 3.545 0 40 CHAB Cc1ccc(S(=O)(=O)N2C(C)(C)CCCC2(C)C)cc1 16310098 XYPDDOPIHQNKAG-UHFFFAOYSA-N 295.448 3.727 0 40 CHAB Nc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 19771820 CBZIPKAKTLWDGO-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB COCc1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1 166358468 NWPONJKHOPYTER-UHFFFAOYSA-N 298.342 3.680 0 40 CHAB O=C(O)c1ccc(CNc2ccccc2C(F)(F)F)o1 8702188 ZMXZXDCTIZNKRB-UHFFFAOYSA-N 285.221 3.609 0 40 CHAB CC(C)(C)OC(=O)C=C1CCN(Cc2ccccc2)CC1 405977861 LPCKFQWJGXTXGD-UHFFFAOYSA-N 287.403 3.551 0 40 CHAB CC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 40097420 IDQFNZBFMPVDHR-ABAIWWIYSA-N 274.364 3.589 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1O 2052 WQDAVGDBWHWDSC-UHFFFAOYSA-N 281.233 3.663 0 40 CHAB in-man O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](C(F)(F)F)C1 40421513 KFTRFTOPVDEZIO-LLVKDONJSA-N 296.292 3.582 0 40 CHAB CN1[C@H]2CC[C@@H]1C=C(c1ccc(C(F)(F)F)cc1)C2 7658 DFCVUTKHIIFWKJ-KGLIPLIRSA-N 267.294 3.955 0 40 CHAB NCc1c(-c2ccc(Cl)cc2Cl)nc2ccccn12 31975508 AFFAHWOICGPNQJ-UHFFFAOYSA-N 292.169 3.767 0 40 CHAB CCCCC(=O)O[C@H](C)COc1ccccc1Cl 1584025 IPGSWUOJEFFMES-LLVKDONJSA-N 270.756 3.841 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Br)cc1 241330 SPWZKDGGVURQEO-QWRGUYRKSA-N 296.208 3.852 0 40 CHAB Clc1ccccc1C1=C[C@@H](c2ccco2)n2ncnc2N1 101250847 MTMBQHSTTUCDSZ-ZDUSSCGKSA-N 298.733 3.581 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@@H]2O 3875071 MUMGGOZAMZWBJJ-QWFUGVESSA-N 288.431 3.879 0 40 CHAB CN(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 6451991 SFEWMCWMVALOSK-UHFFFAOYSA-N 291.807 3.678 0 40 CHAB Cc1ccccc1CNC(=S)Nc1ccccc1F 7390590 QKAVFTZVQMBMAC-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB CC(C)CCNC(=S)Nc1ccc(Cl)cc1 7570341 ARQZSQALUQPUNW-UHFFFAOYSA-N 256.802 3.673 0 40 CHAB C1CCCN(C2CCN([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1 101683668 XCZBNZIWHQGJOM-SOLBZPMBSA-N 276.468 3.515 0 40 CHAB O=C(CCc1ccccc1Cl)Nc1ccccc1O 29769678 ZWKHJKGPENFLEW-UHFFFAOYSA-N 275.735 3.617 0 40 CHAB Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c12 2659819 SQBMRUYRWOCEBN-UHFFFAOYSA-N 288.690 3.550 0 40 CHAB O=C1O[C@@H]([C@H](O)c2ccc3ccccc3c2)c2ccccc21 481088 YKAHKVAXVDIUDJ-QZTJIDSGSA-N 290.318 3.785 0 40 CHAB COc1ccccc1NC(=O)c1cc(SC)ccc1C 32906298 CMDFILGZFZKHTC-UHFFFAOYSA-N 287.384 3.978 0 40 CHAB O=C(Nc1ccccc1F)c1cc(-c2cccs2)on1 11916489 QMIZMHVXPBJTGP-UHFFFAOYSA-N 288.303 3.795 0 40 CHAB Cc1n[nH]cc1CN[C@@H](c1cccs1)C1CCCC1 37128919 LCGQRBWRJVEKIL-OAHLLOKOSA-N 275.421 3.801 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1cccc(C)c1C 109769586 TUCKEOIKPBPJMK-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB Cc1ccc2c(c1)[nH]c1c(N3C[C@H](C)C[C@@H](C)C3)ncnc12 544388 MJNFFGIXKKHGTG-CHWSQXEVSA-N 294.402 3.902 0 40 CHAB O=C(Nc1ccc(F)cc1F)c1ccc(F)c(F)c1F 28210888 XJDNNDOMBINQFW-UHFFFAOYSA-N 287.187 3.634 0 40 CHAB O=C(NCc1ccc(Cl)s1)c1ccc(Cl)o1 25525542 ZXTMFTYCDWUIAD-UHFFFAOYSA-N 276.144 3.578 0 40 CHAB Cc1cc2nc(-c3cccnc3Cl)[nH]c2cc1C 1397532 LWJFLYGCANZKSC-UHFFFAOYSA-N 257.724 3.895 0 40 CHAB C[C@H]1COc2ccccc2N1C(=O)c1ccc(Cl)cc1 1389056 UILNYSZPKJYGPZ-NSHDSACASA-N 287.746 3.768 0 40 CHAB CCc1cc2c(NC3CCCCC3)ncnc2s1 3183701 CFUPYYFJWKWNRR-UHFFFAOYSA-N 261.394 3.998 0 40 CHAB CCOc1ccc(C(=S)N2CCCCC2)cc1OCC 1426978 GEZDBQQZOUXEQX-UHFFFAOYSA-N 293.432 3.645 0 40 CHAB CCOc1ccccc1CSc1nnc(CSC)o1 48396408 OWAGQYWKPZFZNA-UHFFFAOYSA-N 296.417 3.624 0 40 CHAB O=C1CS[C@H](c2ccccc2Cl)N1c1nccs1 17198227 YGGLZTLIDMUYLU-LLVKDONJSA-N 296.804 3.575 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6638625 DHZWDLFBFYSLKL-IONNQARKSA-N 294.326 3.683 0 40 CHAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1cccc(Cl)c1 16017922 DIQGMAYUGDFPAB-LLVKDONJSA-N 291.753 3.899 0 40 CHAB Cc1ccc(CNC(=O)Cn2c(C)cc3ccccc32)cc1 7850798 UWMJCICKPLUPGO-UHFFFAOYSA-N 292.382 3.575 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(N)c1C 19736289 WOBTYRRKJFOSRN-MRXNPFEDSA-N 298.386 3.682 0 40 CHAB FC(F)(F)c1ccc(CN(C[C@@H]2CCCO2)C2CC2)cc1 72274594 MZMBEFHIOIXBJZ-HNNXBMFYSA-N 299.336 3.849 0 40 CHAB Cc1noc(-c2ccccc2)c1NC(=O)c1ccsc1 97115131 FXHKZWUMZCDJCT-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB Cc1nc(C(C)(C)NCc2ncc(C3CC3)o2)sc1C 95444974 VVYWDWXBFDQLSD-UHFFFAOYSA-N 291.420 3.650 0 40 CHAB CCC[C@@H](C(=O)Nc1cncnc1)c1cccc(Cl)c1 529044831 NKCOKYQKDYOOTD-CQSZACIVSA-N 289.766 3.652 0 40 CHAB CCCN[C@H](CC)c1cccc(Br)c1 37184376 JDVMATJPAXIXLQ-GFCCVEGCSA-N 256.187 3.900 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)C1CCCCC1 30864057 NUWYPKYYTUFURV-LBPRGKRZSA-N 295.810 3.898 0 40 CHAB O=C(O)c1c(Cl)c(Cl)cc2cc(Cl)cnc12 77319730 UKJRXEOBZSZSLD-UHFFFAOYSA-N 276.506 3.893 0 40 CHAB in-vitro Cc1cccc(Cc2cccc([C@H]3CCCN(C)C3)n2)c1 72348568 ADWGYSTZYWEQKD-KRWDZBQOSA-N 280.415 3.790 0 40 CHAB CCc1cccc(C)c1NC(=O)NCCc1cccs1 43156583 PFNFLUUUFFMVKW-UHFFFAOYSA-N 288.416 3.983 0 40 CHAB CC(C)Oc1cccc(NC(=S)NCc2ccco2)c1 225318124 WXMIYRXSTTYIRI-UHFFFAOYSA-N 290.388 3.553 0 40 CHAB CCCCCNC(=O)c1ccc(OCC)c(Cl)c1 224050336 KQRZTDCLQDBUAW-UHFFFAOYSA-N 269.772 3.659 0 40 CHAB CC(C)c1nn(C)cc1-c1noc(C(F)=C2CCCC2)n1 328848523 SYXUWCXETCVBCV-UHFFFAOYSA-N 290.342 3.848 0 40 CHAB CC1(NC(=S)Nc2cccc(F)c2)CCCCC1 225855458 ZTYHATHRGMQDGB-UHFFFAOYSA-N 266.385 3.835 0 40 CHAB CCC[n+]1ccc(-c2nc3c(C)cccc3s2)cc1 226776524 MGTUUQUXMSXLAI-UHFFFAOYSA-N 269.393 3.969 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]21C 256446025 NLOZVXGMIXPBOU-YXYPEXGRSA-N 290.447 3.671 0 40 CHAB Cc1nn(C)c2nc3cccc(Cl)c3c(Cl)c12 255189268 OTPQWVNEMQBBJD-UHFFFAOYSA-N 266.131 3.737 0 40 CHAB Cc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C 260658759 FFKIOYGCRMVTLW-YDHLFZDLSA-N 274.433 3.778 0 40 CHAB c1c[nH]c([C@@H]2CCCN2Cc2nc3ccccc3s2)c1 58356793 LRLPCOLXQSYJOW-AWEZNQCLSA-N 283.400 3.962 0 40 CHAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2cn[nH]c2c1 251027 WWAPXIPUUFTLOM-UHFFFAOYSA-N 286.722 3.860 0 40 CHAB CCC(C)(C)NC(=S)Nc1ccc(C)c(C)c1 13823559 SROXGEBPXMEYTC-UHFFFAOYSA-N 250.411 3.778 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCCC(C)(C)C1 19931517 QOYXEMLDLNEWCL-OAHLLOKOSA-N 293.382 3.632 0 40 CHAB CCC(=O)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226352016 OLCBVSHNIFIEOJ-UHFFFAOYSA-N 293.706 3.647 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(F)cc1 1457084 UIAGTYCOSSLTBW-AWEZNQCLSA-N 285.362 3.506 0 40 CHAB Cc1ccc(NC(=O)CCCc2cccs2)c(O)c1 8378409 PDHGIHVXIAXODB-UHFFFAOYSA-N 275.373 3.724 0 40 CHAB Nc1cc2c(cc1Cl)-c1ccc(Cl)cc1C2=O 1569589 XAJCJXILOJGSBM-UHFFFAOYSA-N 264.111 3.787 0 40 CHAB O=C(NCc1ccccc1)Nc1cccc(OC(F)F)c1 40120525 BZMMQAFVGXIVAD-UHFFFAOYSA-N 292.285 3.610 0 40 CHAB C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccn1 40159799 DTXAJMVTGJVCEP-NSHDSACASA-N 286.400 3.513 0 40 CHAB O=C(Nc1ccccc1N1CCCCCC1)C1CCC1 31096936 DAJIJFAHNCAVBK-UHFFFAOYSA-N 272.392 3.806 0 40 CHAB O=C(Nc1ccc(Cl)cc1)C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 509393 PVCPOUAXDFRYDJ-ZHONLBEXSA-N 261.752 3.571 0 40 CHAB COc1cc([C@@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1O 519425 SOHWVJPJRLXISV-CGAYHFDWSA-N 288.387 3.937 0 40 CHAB biogenic Nc1ccccc1C(=O)CCc1c[nH]c2ccccc12 1612531 LVHULLKMESBEIG-UHFFFAOYSA-N 264.328 3.566 0 40 CHAB COc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 367290 NWOFGXWSJIDQPE-UHFFFAOYSA-N 293.725 3.669 0 40 CHAB CCC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 21149747 KKSZFIBIOYVECX-VIFPVBQESA-N 266.410 3.643 0 40 CHAB CCn1ccc(NC(=O)Nc2cccc(Cl)c2Cl)n1 8090993 VWPFCRFYRPAJMJ-UHFFFAOYSA-N 299.161 3.854 0 40 CHAB CSc1cccc(NC(=O)c2cc(F)cc(F)c2)c1 2654356 JLQICJUCAOTIPX-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB Cc1ccc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 26898235 NVIJVXNNTYDESK-HNNXBMFYSA-N 290.407 3.806 0 40 CHAB C[C@@H](NC(=O)c1ccsc1)c1cccc(Cl)c1 22650505 RYPLAAHBUSPGJV-SECBINFHSA-N 265.765 3.893 0 40 CHAB COc1ccc(CNCC2CCCCC2)cc1OC(F)F 37247846 LBPGAUVCDXEDLF-UHFFFAOYSA-N 299.361 3.967 0 40 CHAB CN(C(=O)CC(F)(F)F)[C@H](c1ccccc1)C(F)(F)F 103050064 VDYTWDQVPYKHGD-SNVBAGLBSA-N 299.214 3.701 0 40 CHAB COCc1ccccc1NC(=O)CCc1ccccc1F 46932863 ITMVKTVNEIHERP-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB C[C@H](NC(=O)CCc1ccsc1)c1cccs1 24645423 PREJUJQUGVMCGG-JTQLQIEISA-N 265.403 3.620 0 40 CHAB CC(C)SCC(=O)Nc1cc(C(C)(C)C)ccc1O 24660402 SZWLIKCPZKHWHI-UHFFFAOYSA-N 281.421 3.770 0 40 CHAB Cc1ccc(-c2onc3ccc(C4OCCO4)cc23)cc1 1397462 KHYTZRINWYIBRO-UHFFFAOYSA-N 281.311 3.849 0 40 CHAB Cc1cccc(CNc2cccc(C(=O)O)c2C)c1 26482721 LBLKDBKPJNJFSU-UHFFFAOYSA-N 255.317 3.614 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1(C)C 27279112 PQTMGZUXTMNYRW-BRWVUGGUSA-N 298.430 3.984 0 40 CHAB O=c1ccc(-c2cccs2)nn1C/C=C/c1ccccc1 44893309 VWXXOQBYGJHSNB-XBXARRHUSA-N 294.379 3.685 0 40 CHAB O=C(Nc1cc(F)ccc1F)c1ccc2ncsc2c1 12598710 YGUQTSVCVVSSTE-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB Cc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)s1 3370024 SWEJYUKHDWBIIW-JYRVWZFOSA-N 287.315 3.540 0 40 CHAB Cc1ccccc1NCc1nc(-c2ccsc2)no1 48392396 QKSGNTHGARCYSP-UHFFFAOYSA-N 271.345 3.719 0 40 CHAB Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)o1 12857234 GGTDWCYCFFFLAY-UHFFFAOYSA-N 295.791 3.764 0 40 CHAB CC(=O)Nc1nc(-c2ccccc2Br)cs1 16955995 PJWYTYQDLSWEAG-UHFFFAOYSA-N 297.177 3.531 0 40 CHAB CC(=O)c1ccc(NC(=O)CCCc2cccs2)cc1 12936148 TYVFDJIXAKLABQ-UHFFFAOYSA-N 287.384 3.912 0 40 CHAB CCOc1cc2c(cc1NC(=O)c1ccccc1)O[C@@H](C)C2 12978501 YRXZIGSWWGEUGQ-LBPRGKRZSA-N 297.354 3.661 0 40 CHAB CC(C)(C)c1ccc(C2=NN=C(NC3CC3)SC2)cc1 12994605 LLPUMBVWJDIEKX-UHFFFAOYSA-N 287.432 3.543 0 40 CHAB CSCCc1ccc(NC(=O)NCc2ccco2)cc1 69163971 PJFBNTJFKOGSJV-UHFFFAOYSA-N 290.388 3.507 0 40 CHAB CCCOc1cccc([C@@H](C)NC(=O)N[C@@H](C)CC)c1 13745937 KBAIEACSPFXPMH-QWHCGFSZSA-N 278.396 3.634 0 40 CHAB COc1cccc(C(=O)COc2ccc(F)cc2Cl)c1 39995063 VRVBTYNLDIULPD-UHFFFAOYSA-N 294.709 3.749 0 40 CHAB O=C(Cn1ccc2ccccc21)NCCC1=CCCCC1 4676243 YGMKDOABQQTEHN-UHFFFAOYSA-N 282.387 3.648 0 40 CHAB Nn1cc(-c2cccs2)nc1SCc1ccccc1 8706578 KYOODGRDBAYAMI-UHFFFAOYSA-N 287.413 3.618 0 40 CHAB Cc1cccc(NC(=O)c2cc3c(F)cccc3s2)n1 8747342 WUUSYPWEQHMARR-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB CCCCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 5711510 OPEWBYWNWRKJOE-UHFFFAOYSA-N 277.364 3.628 0 40 CHAB Cc1nn2c(nc(NCC(C)C)c3ccccc32)c1Cl 23053350 SXBKIFDZFSZBAS-UHFFFAOYSA-N 288.782 3.912 0 40 CHAB CCc1ccc(-c2nc3cc(NC(N)=S)ccc3o2)cc1 20154508 LYPFGBUOGDHFEB-UHFFFAOYSA-N 297.383 3.713 0 40 CHAB COc1cccc(F)c1C(=O)Nc1ccc2ccccc2n1 83975820 QVEOUIIWFRIPDX-UHFFFAOYSA-N 296.301 3.635 0 40 CHAB CCCCN1Cc2c(sc3c2CCCC3)N(C(C)=O)C1 19938400 YHNIRTLMPQUEKU-UHFFFAOYSA-N 292.448 3.553 0 40 CHAB C/C=C/c1ccc(OCc2cn3ccccc3n2)c(OC)c1 9862691 KYZRGNGWEVYSGM-ZZXKWVIFSA-N 294.354 3.955 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 89920386 WIRSYWOZIORQBX-SUYBPPKGSA-N 282.387 3.878 0 40 CHAB C[C@H](NCCc1cccc2cccnc12)c1cncc(F)c1 89904610 FZYSQXYTGPFRMB-ZDUSSCGKSA-N 295.361 3.662 0 40 CHAB C[C@@H](NCc1cccnc1)c1ccccc1OC(F)(F)F 97016323 XWFRXXNXSJLRIP-LLVKDONJSA-N 296.292 3.831 0 40 CHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1ccc[nH]1 72301403 AEPKVWMIBPESRA-GQCTYLIASA-N 295.169 3.651 0 40 CHAB C[C@H](CNC(=O)[C@@H]1C[C@@H]1C)c1c(Cl)cccc1Cl 84686725 BSUAPJCFMNZSGE-IVZWLZJFSA-N 286.202 3.869 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccco1 72221569 XFMRBFGFKMIXOX-LLVKDONJSA-N 251.326 3.742 0 40 CHAB Cc1ccsc1C(=O)Cc1nc2ccccc2o1 34940249 UBPSVRIWJXLXCI-UHFFFAOYSA-N 257.314 3.623 0 40 CHAB CCCN1CCC[C@H]1c1cccnc1NC1CCC1 72213900 JNEGTBDEUGWAEC-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB CCCCNc1ccc([C@@H]2CCCN2C(C)C)cn1 72213657 VWWTUUMLHAYQKR-HNNXBMFYSA-N 261.413 3.839 0 40 CHAB O=C(c1cccc(F)c1)N1CC[C@H](c2ccsc2)C1 670969025 RZVBNCFCCFTBIS-LBPRGKRZSA-N 275.348 3.517 0 40 CHAB CC(=O)N1CCC[C@@H](c2ccc(-c3ccc(F)cc3)cn2)C1 72365125 SFKUUILJMHCIFD-MRXNPFEDSA-N 298.361 3.614 0 40 CHAB O=C(NCCCc1ccc(F)cc1)c1cc2ccccc2o1 219945510 RGGVYXQTRKJDAC-UHFFFAOYSA-N 297.329 3.935 0 40 CHAB CCN(CC)CCN(C(=O)c1ccccc1)c1ccccc1 46085546 PQOBKZTVWJGVNI-UHFFFAOYSA-N 296.414 3.675 0 40 CHAB CCOc1cc(C=O)c(Cl)cc1OCC(C)C 225277288 HNMDUPLZRCIZQP-UHFFFAOYSA-N 256.729 3.586 0 40 CHAB Fc1ccc2ccc(Cl)nc2c1Br 82046911 RTZJWJRSOSDWIN-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB CC[C@@H](C(=O)OC)N1c2ccccc2[C@@H](C)CC1(C)C 223199918 UPYAGBPDYXVJCD-JSGCOSHPSA-N 275.392 3.730 0 40 CHAB Cc1cccc2c1N([C@@H](C)C(=O)O)C(C)(C)C[C@@H]2C 223191374 IKOPQAWXKOTQHL-RYUDHWBXSA-N 261.365 3.560 0 40 CHAB FC(F)(F)c1ccc(-c2nsc(Cl)n2)cc1 47218919 WIQIWWPDXMFXAG-UHFFFAOYSA-N 264.659 3.877 0 40 CHAB C[C@@H]1CC(=O)c2cnn(-c3ccc(Cl)c(Cl)c3)c2C1 199728727 IVELVYPQTVLZDG-QMMMGPOBSA-N 295.169 3.944 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1C 96621732 FERGARVLEIOWOI-UHFFFAOYSA-N 297.354 3.603 0 40 CHAB CSc1nc(Cl)cc(Nc2cccc(C(C)=O)c2)n1 91302223 WOFRYOKAEAPBBO-UHFFFAOYSA-N 293.779 3.798 0 40 CHAB CCCc1nn2c(-c3cc4ccccc4o3)nnc2s1 96194055 CQRKGIKVOFBXEX-UHFFFAOYSA-N 284.344 3.552 0 40 CHAB Cc1ccc(Cl)cc1C(=O)c1ccc2c(c1)OCO2 95916574 KIRFPAWYOONCAK-UHFFFAOYSA-N 274.703 3.608 0 40 CHAB Clc1snnc1CN(Cc1ccco1)C1CCCC1 52077087 BTOGBLGMKMRXTB-UHFFFAOYSA-N 297.811 3.729 0 40 CHAB CS[C@H]1CC[C@@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 75920945 NMNCZIMFJFKNIZ-NEPJUHHUSA-N 282.453 3.688 0 40 CHAB CC(C)c1nc(CN(Cc2ccncc2)C2CC2)cs1 93221554 QCZQWFQDKJFMAX-UHFFFAOYSA-N 287.432 3.826 0 40 CHAB CC(=O)c1cccc(NC(=O)c2c(F)cccc2Cl)c1 3561811 LTGYIEBDOXQSIF-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB Cc1ccc(OCCn2c(C=O)nc3ccccc32)c(C)c1 11735056 UBYDKBHQYGQDMF-UHFFFAOYSA-N 294.354 3.545 0 40 CHAB Cc1ccc(Oc2ncccc2CNC2CCCC2)cn1 12436169 IGPSQXDHEIDZCV-UHFFFAOYSA-N 283.375 3.610 0 40 CHAB CCn1c(=S)[nH]c2scc(-c3cccs3)c2c1=O 13143201 NRUIJZZBQQZHSB-UHFFFAOYSA-N 294.426 3.869 0 40 CHAB c1ccc(Oc2ccc(O[C@@H]3CCCNC3)cc2)cc1 14631728 JLOHZNPPAVOVTQ-QGZVFWFLSA-N 269.344 3.610 0 40 CHAB O=c1[nH]c(=S)[nH]c(-c2ccccc2)c1Cc1ccccc1 17418977 GSLFBPJBTXXYOG-UHFFFAOYSA-N 294.379 3.690 0 40 CHAB Cc1ccc2cc(C(=O)N(CC(F)F)C(C)C)ccc2n1 152113417 VEOLQWAEQJKGGM-UHFFFAOYSA-N 292.329 3.659 0 40 CHAB Cc1ccccc1C(=O)N(C)Cc1nc2ccccc2s1 10286489 SDOWKZUXPCVTMG-UHFFFAOYSA-N 296.395 3.877 0 40 CHAB C[C@H]1Cc2cc(CNc3ccc(F)cc3)ccc2O1 10299606 FNTZRSDCYHYGCY-NSHDSACASA-N 257.308 3.761 0 40 CHAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(CF)CC1 1888857161 YLJINMMALWSFMU-UHFFFAOYSA-N 294.757 3.643 0 40 CHAB CCOc1cccc(CNCCc2ccccc2F)c1 22074630 BTDDIGUDYZLFRB-UHFFFAOYSA-N 273.351 3.557 0 40 CHAB COc1ccccc1/C=C/C(=O)Oc1c(C)cccc1C 149732 XHRMDINPBOKBRF-VAWYXSNFSA-N 282.339 3.931 0 40 CHAB biogenic C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(OC(F)F)c2)C1 40120529 AWRAHLRVFSNNCZ-QWRGUYRKSA-N 298.333 3.798 0 40 CHAB Cc1ccc(-c2[nH]c(C=O)nc2Br)cc1Cl 1857794917 VLTYCYGATDFXRF-UHFFFAOYSA-N 299.555 3.614 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1 7951654 FAPHTMBKKFSNJV-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB CCc1cc(=O)oc2cc(OCc3c(C)noc3C)ccc12 36800959 PPOCAQLRPVUXSQ-UHFFFAOYSA-N 299.326 3.539 0 40 CHAB C[C@@H](CCNC(=O)c1cc(F)ccc1F)c1ccccc1 60338228 WFGBLRCQXQABCJ-LBPRGKRZSA-N 289.325 3.888 0 40 CHAB Cc1cc(C)cc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)c1 8558268 ROWBBUGBIMDTDT-OAHLLOKOSA-N 291.435 3.868 0 40 CHAB Cc1ccc([C@@H]2C3=C(O)C[C@H](C)CC3=Nc3ncnn32)cc1 102602505 ONNDERDSODQIFB-BDJLRTHQSA-N 294.358 3.504 0 40 CHAB Cc1ccc(C2=NN[C@](C)(Cc3ccccc3)S2)cc1 59431945 OOPZXVAWQQUVLY-KRWDZBQOSA-N 282.412 3.952 0 40 CHAB Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)sc2c1 100468423 XFGAHBKYMOWPIP-IJLUTSLNSA-N 286.400 3.979 0 40 CHAB CCOc1ccc2sc(=S)n(CN3CCCC3)c2c1 59449252 APLHFXDMTVUFRH-UHFFFAOYSA-N 294.445 3.884 0 40 CHAB COC1(OC)[C@H]2C=C[C@@H]1[C@H]1[C@@H]3CC[C@H](c4ccccc43)[C@H]21 101044644 TXQRANBDSQOWKX-PDCGBLAGSA-N 282.383 3.699 0 40 CHAB CCCCCCOc1ccc(Br)cc1CO 20303927 FESAVWZVGRADTM-UHFFFAOYSA-N 287.197 3.901 0 40 CHAB CC(=O)OC[C@]12COC3(CCCC3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 100152167 DNFFPEBVRBASNE-OHFALNGGSA-N 292.419 3.727 0 40 CHAB Cc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2C)no1 56342258 IASLAVBKVHPAOI-CQSZACIVSA-N 285.347 3.660 0 40 CHAB CCOc1cccc2sc(NCc3ccccn3)nc12 26422460 MMCBHUKGWXYIAV-UHFFFAOYSA-N 285.372 3.702 0 40 CHAB CCOCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 2069578 DXGGNOJYCBWRPF-UHFFFAOYSA-N 296.370 3.789 0 40 CHAB CC[C@H]1CCCN(C(=O)Nc2ccccc2-n2cccn2)C1 48151787 BHIZDULIHSQDHZ-AWEZNQCLSA-N 298.390 3.526 0 40 CHAB CC(=O)Nc1cc(-c2nc3cnccc3o2)ccc1Cl 36360302 GLBHUAXOROYKQU-UHFFFAOYSA-N 287.706 3.502 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2SC(F)F)on1 27382255 XHVUYBKBCDRAOJ-UHFFFAOYSA-N 284.287 3.550 0 40 CHAB O=C(NCCC1=CCCCC1)Nc1cccnc1Cl 49201397 YNCYBNPBXLZWDD-UHFFFAOYSA-N 279.771 3.747 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1c(F)cccc1F 6389810 JOMBOLLUPPCVEE-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB CCCCCNC(=O)c1ccccc1C(=O)c1ccccc1 14200324 IMRZZBSQJMZNRI-UHFFFAOYSA-N 295.382 3.838 0 40 CHAB CC1(C)C[C@@](CCN)(Cc2ccccc2Cl)CCO1 5478306 YFTUDCNWQVREPF-MRXNPFEDSA-N 281.827 3.807 0 40 CHAB C[C@@H]1CCCN(C(=O)c2ccc3c4c(cccc24)CC3)C1 8748870 TTYGZUMXRVLEQN-CYBMUJFWSA-N 279.383 3.811 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)cc2F)c(F)c1 7265148 FGTWXOPNERLPCE-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB CC[C@@H](C)[C@@H](C(=O)Nc1nccs1)c1ccccc1 7654868 JYVAGFSJUUCFSS-DGCLKSJQSA-N 274.389 3.912 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccccc2C)c1C 9459004 IVSIUEBWZXQVBH-GFCCVEGCSA-N 298.386 3.634 0 40 CHAB COc1cc(C(=O)NC2CCCCC2)cc2occc12 72240063 ADDNENMQXDNIII-UHFFFAOYSA-N 273.332 3.504 0 40 CHAB CCC[C@H](N[C@H](C)CC(C)C)C(=O)OC(C)(C)C 95943401 MAQRMAIOFOFNPX-OLZOCXBDSA-N 257.418 3.521 0 40 CHAB C[C@H](NCc1ccc(Br)cc1)C1CCC1 95967494 PNCACSGFHXHEJN-JTQLQIEISA-N 268.198 3.727 0 40 CHAB COc1ccc2cc(CN(C)C(=O)C3CCC3)ccc2c1 32739493 WKGDBHINPCAZDO-UHFFFAOYSA-N 283.371 3.607 0 40 CHAB O=C1C[C@H](c2cccnc2)Nc2ccc3ccccc3c21 276281 YLRGNLPUITYATC-MRXNPFEDSA-N 274.323 3.974 0 40 CHAB CN1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217586 CFFJOFAQCMJIDR-OAHLLOKOSA-N 270.401 4.000 0 40 CHAB CC(C)c1ccnc2snc(Br)c12 217730905 PFZWCZCEHNHFLD-UHFFFAOYSA-N 257.156 3.577 0 40 CHAB CCOC(=O)Cc1ccc(-c2ccc(Cl)cc2)o1 30714794 HWCKPIUFROEVNM-UHFFFAOYSA-N 264.708 3.706 0 40 CHAB FC(F)c1ccc(Br)c(Br)n1 217739311 MKCSHEOUFGUSQN-UHFFFAOYSA-N 286.901 3.544 0 40 CHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H](C)C1 38755564 YAVWVRWGCYMUBL-DOMZBBRYSA-N 295.810 3.756 0 40 CHAB O=C(/C=C/c1ccccc1)NCC1(c2cccs2)CC1 38592955 MZCNJMYRTBCEOE-CMDGGOBGSA-N 283.396 3.609 0 40 CHAB O=c1c2c([nH]c3ccc(Oc4ccccc4)cc13)CCC2 48770584 CNMNWTNZDUYNHD-UHFFFAOYSA-N 277.323 3.809 0 40 CHAB CC(C)Cn1c(CCc2ccccc2)ccc1C(=O)O 226028401 IOKNSCJQDZRFLC-UHFFFAOYSA-N 271.360 3.628 0 40 CHAB Cc1ccc(CCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1C 224050915 BDOPXSCOYPXFEC-ZACQAIPSSA-N 271.404 3.541 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)C(C)C 225217199 QIYPAQSTOFVEOV-HOCLYGCPSA-N 277.408 3.622 0 40 CHAB COc1ccc2nc(Cl)c(Br)cc2c1 95098161 GNVZTDQOKUUTHD-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB CCOC(=O)C(=O)c1cc(Cl)ccc1OCCC(C)C 95739864 ZUMFMBKUJRSDTB-UHFFFAOYSA-N 298.766 3.511 0 40 CHAB Cc1cc(C=O)cc(C)c1OC(=O)c1ccc(Cl)cc1 256051607 JVSUPSXSVUVQPY-UHFFFAOYSA-N 288.730 3.989 0 40 CHAB CC(C)c1ccc(C(=O)C2=C(C(=O)O)CCCC2)cc1 95634421 NRBKOUYHFPDTPT-UHFFFAOYSA-N 272.344 3.948 0 40 CHAB CCOc1cccc([C@H](Cc2ccccc2)NC)c1 1667121 BHSRWFSOFWREBM-KRWDZBQOSA-N 255.361 3.589 0 40 CHAB Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C)cc1 5048847 LGGKWBLAJGNGQP-KRWDZBQOSA-N 250.345 3.776 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccc(C)cc1C 13821487 MJFGJLBRPHCRMO-GFCCVEGCSA-N 250.411 3.778 0 40 CHAB COc1cc(CO)ccc1OCc1ccc2ccccc2c1 15416427 SITSLFVPRWYHGG-UHFFFAOYSA-N 294.350 3.920 0 40 CHAB Cc1ccccc1OC[C@H](O)CNC(C)(C)CC(C)(C)C 16758585 GZVCYICVYOJEAU-OAHLLOKOSA-N 293.451 3.539 0 40 CHAB COc1cc2[nH]cc(C=O)c2cc1OCc1ccccc1 147863741 ILFVCNZKSAKJKS-UHFFFAOYSA-N 281.311 3.568 0 40 CHAB CCCCSc1nnc(-c2ccc(C)cc2)n1C 4130437 ZAUZWUWDJQIXBT-UHFFFAOYSA-N 261.394 3.683 0 40 CHAB CCc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C 40023817 MFGCQJWNEXKTSU-GXTWGEPZSA-N 260.381 3.949 0 40 CHAB Cc1cccc(-c2nnc([C@@H](C)N(C)Cc3ccco3)o2)c1 30978409 VMWFCEOMZISTDQ-CYBMUJFWSA-N 297.358 3.831 0 40 CHAB O=C(O)c1cccnc1SCc1ccccc1Cl 216095 SJDXALOFYAUFFG-UHFFFAOYSA-N 279.748 3.726 0 40 CHAB COc1ccc(-c2ccccc2)cc1SCCC(=O)O 1662634 DTDJUZVSMUCFPJ-UHFFFAOYSA-N 288.368 3.929 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)Cc1ccccc1F 3553989 KXSCNMOTAYEIFZ-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB COCc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 7399706 ZFLDEQAPADWGFL-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB COc1ccc(CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 102377080 MNGASJXVAKILMO-NZUILWFCSA-N 259.393 3.610 0 40 CHAB c1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1 481671 MGTCPLQKWNVLLG-UHFFFAOYSA-N 284.369 3.581 0 40 CHAB C[C@H]1CN(C(=S)c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 9188946 PXNPBQRQIGVEIB-STQMWFEESA-N 291.460 3.769 0 40 CHAB O=C(O)c1cc(NCc2ccccc2)nc2ccccc12 37336674 MWNFPIDJPGPAPF-UHFFFAOYSA-N 278.311 3.545 0 40 CHAB in-vitro O=C(NCCCc1ccccc1Cl)C1CCCC1 107189087 AVBUIFWWFDFUBF-UHFFFAOYSA-N 265.784 3.579 0 40 CHAB FC(F)Oc1ncc(C(F)(F)F)cc1-c1ccncc1 47216418 ATZMKHYLZUKAEJ-UHFFFAOYSA-N 290.191 3.764 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)NC1CCCCC1 12551985 YYTGTDBQRXYPRA-UHFFFAOYSA-N 270.376 3.549 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1 113955024 APGVZCRIAZZOAC-LBPRGKRZSA-N 287.334 3.794 0 40 CHAB CC(C)C(=O)Nc1nc2c(s1)CC[C@@H](C(C)(C)C)C2 27583427 CFBMXCGSZJVKGC-SNVBAGLBSA-N 280.437 3.889 0 40 CHAB O=c1nc2c(Cl)cc(Cl)cc2c(-c2ccccc2)[nH]1 27692383 HFVXLNHVMOSFEC-UHFFFAOYSA-N 291.137 3.897 0 40 CHAB COCc1ccc(C(=O)Nc2cccc(SC)c2)cc1 8275131 OGXBPXFZDXFFQK-UHFFFAOYSA-N 287.384 3.807 0 40 CHAB CCN(Cc1cccc(F)c1)C(=O)NCCC1CCCC1 12987546 UCBNYKVYBAKPQU-UHFFFAOYSA-N 292.398 3.938 0 40 CHAB Cc1ccccc1NC(=S)Nc1cccc(C(=O)O)c1 13795602 XZYSARWQERPHLJ-UHFFFAOYSA-N 286.356 3.502 0 40 CHAB CCc1nc(N(CC)CC)c2oc3ccccc3c2n1 4301734 PXNCSTZMSVXPBV-UHFFFAOYSA-N 269.348 3.785 0 40 CHAB Cc1ccc(NC(=O)c2cnc3ccccc3n2)c(Cl)c1 5424872 PESJWVJUQYENKK-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB CCCCC(=O)Nc1nn(CC)c2nc3ccccc3cc12 21596646 ATBYRWPMPSPIST-UHFFFAOYSA-N 296.374 3.733 0 40 CHAB O=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1 8704387 WKMKQGCHXDTWPS-VQHVLOKHSA-N 277.776 3.731 0 40 CHAB Cc1cccc(NC(=S)NN2[C@@H](C)CCC[C@H]2C)c1C 15348251 CQUJIVPFAMEABD-BETUJISGSA-N 291.464 3.768 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)CCC2 7889093 OSWVYAXTZCOVCW-UHFFFAOYSA-N 273.282 3.706 0 40 CHAB O[C@@H](CSCCc1cccs1)c1ccccc1 72278800 PXSAVOZAZATVEA-AWEZNQCLSA-N 264.415 3.757 0 40 CHAB CO[C@H](C(=O)Nc1cnc2ccccc2c1)c1ccccc1 78805969 UEAULFHQTUEKQK-KRWDZBQOSA-N 292.338 3.561 0 40 CHAB Cc1ccccc1CNC(=O)N[C@H](c1ccccc1)C1CC1 9935940 DBBOHIOFYYRORK-GOSISDBHSA-N 294.398 3.946 0 40 CHAB CC(C)[C@@H](CNC(=O)CCC1CCCC1)c1cccnc1 75107156 ZILLQYLUKIOKTB-QGZVFWFLSA-N 288.435 3.908 0 40 CHAB COc1ncccc1[C@H]1CCCCN1Cc1ccccc1 72211746 ONPZDPJXCPXYMO-QGZVFWFLSA-N 282.387 3.817 0 40 CHAB O=C(OCc1cccc(Cl)c1)c1ccc(F)cc1 32124848 ISBDBFQTTWHPGL-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB CCCNC(=O)c1ccc(Oc2cccc(Cl)c2)o1 72264827 FYBWRVHRRWZZGG-UHFFFAOYSA-N 279.723 3.865 0 40 CHAB O=C(Oc1c(Cl)cc(CO)cc1Cl)c1ccccc1 216944834 NAECSLVZZZZGDJ-UHFFFAOYSA-N 297.137 3.705 0 40 CHAB COc1ccc(OC)c(-c2nc3cc(C)ccc3o2)c1 216869151 DDQSGQCVIHQLAH-UHFFFAOYSA-N 269.300 3.820 0 40 CHAB O=C(O)[C@@H]1C[C@H]1c1ccc(-c2cccc(Cl)c2)o1 70453040 YBTNQUVYWRSSOW-GHMZBOCLSA-N 262.692 3.788 0 40 CHAB Cc1cc(C)cc(Nc2ccc(N)cc2C(=O)NC2CC2)c1 225466012 FOCYIJFCNDMGJX-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB Cc1ccc2oc([C@@H]3CC(=O)N(c4ccccc4)C3)nc2c1 82087160 JSENEWQPRWELHF-CYBMUJFWSA-N 292.338 3.657 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1C 44843165 AFAXRONFZVWBII-SFHVURJKSA-N 297.398 3.777 0 40 CHAB CNc1ccc2nc(-c3cc(OC)cc(OC)c3)oc2c1 226271979 ORFLNIOTPOWGOL-UHFFFAOYSA-N 284.315 3.554 0 40 CHAB Cc1sc(Cl)nc1C(=O)Nc1ccc2cc[nH]c2c1 96232031 SANTUHKGTWHLJY-UHFFFAOYSA-N 291.763 3.839 0 40 CHAB CCCn1cc(N[C@H](C)c2ncc(C(C)(C)C)o2)cn1 97377344 LEFQOOACMPTART-LLVKDONJSA-N 276.384 3.752 0 40 CHAB COc1cc(C(=O)c2ccc(Cl)c(F)c2)ccc1F 95916272 ZQHVNUMHZKRYSB-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB CCOC(=O)c1nc(Nc2cccc(C)c2)sc1C 161599772 LPAPOJOMZDTDHD-UHFFFAOYSA-N 276.361 3.680 0 40 CHAB CCc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 5864877 MLXGSXBLEPFHFC-AWEZNQCLSA-N 283.371 3.963 0 40 CHAB C(=C/c1cnc(-c2cccs2)s1)\c1ccncn1 157323034 PREGFXUPGQVYRH-ONEGZZNKSA-N 271.370 3.832 0 40 CHAB O=C(c1cccs1)N1CCS[C@@H](c2ccco2)CC1 207008647 MDIHJDSTZPOALN-GFCCVEGCSA-N 293.413 3.662 0 40 CHAB CC(C)(CNC(=O)CSC1CCCC1)c1ccsc1 1888906383 AXNWIYFIDNDZST-UHFFFAOYSA-N 297.489 3.818 0 40 CHAB Cc1cccc(C)c1Nc1ncnc2c1ncn2C1CC1 2086865341 MSDNCAWAJFDFKX-UHFFFAOYSA-N 279.347 3.522 0 40 CHAB CSc1cccc(NC(=O)NCCCC(C)C)c1 40095944 OMFHPZDFAYLXFZ-UHFFFAOYSA-N 266.410 3.966 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1nc(-c2ccco2)cs1 40111456 FPDFWAOWFOQEOK-SNVBAGLBSA-N 274.345 3.698 0 40 CHAB CNCc1ccccc1Sc1ccc(OC)cc1 11294 MZFMWBVFRIBICR-UHFFFAOYSA-N 259.374 3.566 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1 262466 DRKLWLHKFMISGB-UHFFFAOYSA-N 282.318 3.878 0 40 CHAB CC[C@H]1CO[C@H](Cn2c3ccccc3c3ccccc32)O1 2357060 OUEUSWBXKLGSDC-UGSOOPFHSA-N 281.355 3.946 0 40 CHAB C[C@@H]1CN=C(Nc2ccc(Cl)c(Cl)c2)S1 3227047 YKMKYRMIBXLAKY-ZCFIWIBFSA-N 261.177 3.897 0 40 CHAB Cc1nc(Nc2cccc(N)c2)cc(-c2ccccc2)n1 11849508 QTUQUMWTRGXXHP-UHFFFAOYSA-N 276.343 3.778 0 40 CHAB CC(C)CC(=O)NC(=S)Nc1cccc2ccccc12 342063 LVKIASCWBXBICD-UHFFFAOYSA-N 286.400 3.699 0 40 CHAB CCc1ccc(CN[C@H](C)CCc2ccco2)cc1 21014581 NDTICWHPRHEGNZ-CQSZACIVSA-N 257.377 3.953 0 40 CHAB CCc1nccn1C(=O)Nc1cccc2ccccc12 6160403 BCNPBFQOLFXNEK-UHFFFAOYSA-N 265.316 3.679 0 40 CHAB CCCCC(=O)Nc1ccc(CN2CCCCC2)cc1 6591902 KILALKZLGKPXQT-UHFFFAOYSA-N 274.408 3.801 0 40 CHAB COc1cccc(Oc2nc3ccccc3nc2C)c1 32771193 ZIPNTLHVLXBYIJ-UHFFFAOYSA-N 266.300 3.739 0 40 CHAB CCc1ccc(CCC(=O)Nc2ccc(C(=O)O)cc2)cc1 10329901 UHKGDZBAOGMWNC-UHFFFAOYSA-N 297.354 3.519 0 40 CHAB COc1c(C)cccc1C(=O)Nc1ccc(C)cc1 9141457 KJHSFHHLKOJDEG-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB Cc1ccccc1NC(=O)c1cc2ccccc2c(=O)s1 12274400 PXEABSJUEWLHDR-UHFFFAOYSA-N 295.363 3.822 0 40 CHAB O=C(O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 37374903 NCFXQYTZUMZZCR-CYBMUJFWSA-N 280.295 3.883 0 40 CHAB in-vitro C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H](C)C1 69378446 HYVYTRFOOREVKP-KGLIPLIRSA-N 282.387 3.509 0 40 CHAB Cc1nc2cc(F)ccc2cc1C(=O)N(C)Cc1ccco1 12552892 DMOQDKXQAIKZCL-UHFFFAOYSA-N 298.317 3.548 0 40 CHAB CCCCSCC(=O)Nc1cccc(NC(=O)CC)c1 24874388 XLNLLMKKVXAMNO-UHFFFAOYSA-N 294.420 3.507 0 40 CHAB CCN(c1ccc(NC(=O)c2cccc(C)n2)cc1)C(C)C 12553365 PBHIVPWLTMLCRT-UHFFFAOYSA-N 297.402 3.877 0 40 CHAB O=c1ccc(-c2ccc(F)cc2)cn1Cc1ccccc1 1499348 WRWBEVURJJWAIO-UHFFFAOYSA-N 279.314 3.703 0 40 CHAB CCCCNC(=O)c1cccc2c3c([nH]c12)CCCC3 27607297 AIHWGYNNZNIVRW-UHFFFAOYSA-N 270.376 3.577 0 40 CHAB Cc1cccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 113959281 RQGPVDFFKZUGJV-INIZCTEOSA-N 297.398 3.696 0 40 CHAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C=O 3379309 PCSFJJSFVBYKPS-UHFFFAOYSA-N 262.312 3.660 0 40 CHAB CCn1nc(NC(=O)C(C)C)c2cc3ccc(C)cc3nc21 2450348 GYVOCTDOPRQVOD-UHFFFAOYSA-N 296.374 3.507 0 40 CHAB COc1ccc(Cl)cc1NC(=O)Cc1ccccc1F 3549929 ZSWQSJZLAIQCGT-UHFFFAOYSA-N 293.725 3.669 0 40 CHAB CCN(Cc1nc(C(C)(C)C)no1)c1cccc(F)c1 63549533 SKYJJWKMLIWYHK-UHFFFAOYSA-N 277.343 3.533 0 40 CHAB CC(C)C[C@@H](N)c1nnc(SCc2cccc(F)c2)o1 6159728 ZTTBTJJDIQUCKQ-GFCCVEGCSA-N 295.383 3.547 0 40 CHAB CCCOCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 65593929 SVKOVAGSTLTJST-UHFFFAOYSA-N 294.354 3.517 0 40 CHAB c1ccc(-c2cc3c(NC4CC4)ncnc3s2)cc1 6862127 OZJHZPHVROHRIE-UHFFFAOYSA-N 267.357 3.933 0 40 CHAB COC[C@H](C)Nc1nc(-c2ccsc2)nc2ccccc12 9153955 IFGHSRPCSDERRG-NSHDSACASA-N 299.399 3.805 0 40 CHAB Cc1nnc([C@@H](C)Nc2ccc(Br)c(C)c2)o1 71902382 CLEJVFDRVMJTRB-MRVPVSSYSA-N 296.168 3.622 0 40 CHAB COC[C@@H](N[C@@H]1CCCc2ccccc21)c1ccco1 95968858 FRGSBCKQRFRZKG-HZPDHXFCSA-N 271.360 3.634 0 40 CHAB Cn1ncc(NC(=O)Nc2ccccc2)c1-c1ccccc1 74563329 DMCZBIUQFAHPGM-UHFFFAOYSA-N 292.342 3.731 0 40 CHAB S=C(NCc1ccccc1Cl)c1ccccc1 408576594 PYLKAPKIVXEGGS-UHFFFAOYSA-N 261.777 3.805 0 40 CHAB c1ccc(CNCCc2ccnc3ccccc23)cc1 521398193 URZAQMATFPCMTB-UHFFFAOYSA-N 262.356 3.567 0 40 CHAB Cc1nc2ccccc2n1Cc1noc(-c2cccs2)n1 76556466 KQWHJSFRXYUMBU-UHFFFAOYSA-N 296.355 3.505 0 40 CHAB CCOc1cccc(CNC(=O)c2ccc(C)cc2C)c1 48373670 LEAPIPSCXSWPSJ-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB Cc1ccc([C@@H](O)c2ccc3c4c(cccc24)CC3)cc1N 226295799 CCLTYOBUWFIYRI-HXUWFJFHSA-N 289.378 3.911 0 40 CHAB C[C@H]1CN(C(=O)Nc2ccccc2C(C)(C)C)C[C@@H](C)O1 40526142 KLEUMUXOVZYXAB-BETUJISGSA-N 290.407 3.625 0 40 CHAB COc1ccc2cc([C@@H](O)c3cccs3)ccc2c1 49956062 INDFPBFZUVEILY-MRXNPFEDSA-N 270.353 3.992 0 40 CHAB Clc1cccc(Cl)c1-c1noc(C2CCNCC2)n1 199783106 YQZQFNNGJIOJMZ-UHFFFAOYSA-N 298.173 3.510 0 40 CHAB CCN(CC)c1nc(-c2ccc(Cl)c(N)c2)cs1 95097236 RHIWJZWKHKHXRU-UHFFFAOYSA-N 281.812 3.892 0 40 CHAB O=C(c1ccsc1)N1CCc2sc(Cl)cc2C1 566262767 SGJQNIQKEQSTQH-UHFFFAOYSA-N 283.805 3.662 0 40 CHAB c1ccc2c(c1)CCCN2Cc1nc2ccccc2o1 14672790 XDKYXYQADAJOIP-UHFFFAOYSA-N 264.328 3.781 0 40 CHAB CN(C(=O)c1cc(C(F)(F)F)ccc1N)c1ccccc1 94595427 OZTDLBBLXLEQJP-UHFFFAOYSA-N 294.276 3.564 0 40 CHAB CCOC(=O)c1ccc2c(Br)cccc2c1 167099510 AFTPDXYWGRVXEE-UHFFFAOYSA-N 279.133 3.779 0 40 CHAB CN(Cc1cncs1)Cc1ccc(F)cc1Cl 93275965 GCPCCTOBRWJNQL-UHFFFAOYSA-N 270.760 3.568 0 40 CHAB COc1ccc(Cl)cc1[C@@H](C)NCc1scnc1C 95421965 ADQZJKGMZRPMLN-SECBINFHSA-N 296.823 3.964 0 40 CHAB CC[C@H](C)[C@@H]1CC1(Br)Br 1711602 FRDCOCGDTNKQFV-WDSKDSINSA-N 255.981 3.539 0 40 CHAB C[C@H]1CNC[C@H](c2ccc(Cl)c3ncccc23)C1 1772715120 DBXGCVDZFJETTD-GHMZBOCLSA-N 260.768 3.601 0 40 CHAB CC(=O)Oc1ccc(/C=C/c2cc(O)cc(F)c2)cc1 164763672 OAKXGWWZEKTFJH-NSCUHMNNSA-N 272.275 3.627 0 40 CHAB COc1ccc2[nH]c(COc3cc(C)ccc3C)nc2c1 16903868 GLOSKSZNWFKKQO-UHFFFAOYSA-N 282.343 3.767 0 40 CHAB CSc1nc(Cl)nc(-c2ccc(Cl)cc2)n1 160812 CZSGOZYEXWHHFU-UHFFFAOYSA-N 272.160 3.567 0 40 CHAB O[C@H](c1cccc(F)c1)c1ccc(Cl)c(F)c1 4242383 XJLBKCVKWYTZGD-CYBMUJFWSA-N 254.663 3.700 0 40 CHAB O=C(Nc1ccccc1-c1ccccc1)OC1CCNCC1 34530447 AGZCCVMWUZINGV-UHFFFAOYSA-N 296.370 3.654 0 40 CHAB Cc1ccc(SCCC(=O)N2CCCCCC2)cc1 46463082 UXTKJAMODBYVEV-UHFFFAOYSA-N 277.433 3.880 0 40 CHAB O=C(Nc1ccccc1)N1CC[C@H](c2ccccc2)C1 263460 MZAQOOWXHQBKBK-HNNXBMFYSA-N 266.344 3.708 0 40 CHAB CC(C)=C1OC(=O)C(C)(C)[C@H]2Sc3ccccc3N12 38337694 UDPYDOHQUCQYDC-CYBMUJFWSA-N 275.373 3.759 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc2ncccc12 40023825 CHGCFKGEPIZJPM-OCCSQVGLSA-N 283.375 3.935 0 40 CHAB O=C(c1ccsc1)N1CCCCc2ccccc21 40133972 TUDOOWXUCXSINU-UHFFFAOYSA-N 257.358 3.731 0 40 CHAB CN(C(=O)Nc1cccc2cccnc12)C(C1CC1)C1CC1 51191537 RLJAPBLMUOHPDI-UHFFFAOYSA-N 295.386 3.887 0 40 CHAB CC(C)c1ccccc1OCC(=O)N(C)Cc1ccccc1 516667 CUGWJXBCANWAPO-UHFFFAOYSA-N 297.398 3.847 0 40 CHAB Cc1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 580767 WXSLOYJSAJNNIN-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB Cc1cc([C@@H](C)NC(=O)C[C@H]2C=CCC2)c(C)s1 46240550 FMURUWUXIWJIFP-YPMHNXCESA-N 263.406 3.898 0 40 CHAB C[C@]12CC[C@H]3c4ccccc4CC[C@@H]3[C@@H]1CC[C@@H]2O 8614681 MUENRDYXOADTOC-ATIWLJMLSA-N 256.389 3.904 0 40 CHAB O=C(CCC1CCCC1)Nc1cccc(Cn2cccn2)c1 32817274 XMOCIBYEDCYNPJ-UHFFFAOYSA-N 297.402 3.840 0 40 CHAB O=C(NCCC1=CCCCC1)Nc1ccc(F)cc1F 9335715 RQBIWQBOLSKPSV-UHFFFAOYSA-N 280.318 3.977 0 40 CHAB CCCCOc1ccccc1Cn1c(=O)oc2ccccc21 2706818 YQUPCKQPKSUYJD-UHFFFAOYSA-N 297.354 3.822 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C)nc1 22698142 AJCMJSNJQUJFJS-CQSZACIVSA-N 286.400 3.601 0 40 CHAB FC(F)(F)c1ccc(Cl)c(-c2cccnc2)n1 47212653 HLCWXIGMGJUEKM-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB CC(C)Cc1ccc(C(=O)Nc2cccnc2)cc1 23136193 WIXRJGSYVQNLID-UHFFFAOYSA-N 254.333 3.532 0 40 CHAB Cc1cc(N)cc(Br)c1N1CCCC[C@H]1C 57326476 OUHRBBHRBZARCX-SNVBAGLBSA-N 283.213 3.719 0 40 CHAB Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)o2)o1 42811576 XPDNYQQASTXQNK-RYUDHWBXSA-N 276.336 3.611 0 40 CHAB CC[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccncc1 42844213 OFTIHUCMCCWQMJ-ZFWWWQNUSA-N 275.396 3.507 0 40 CHAB CC12C[C@H]3C[C@H](C1)CC(NC(=O)c1cccs1)(C3)C2 101375778 SZQKRTAOHLGCSY-CPWXYTRJSA-N 275.417 3.837 0 40 CHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1c(F)cccc1F 24891815 OKVLPCVSKAPMTJ-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB O=C(c1ccco1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166300 VICGGEFIUBNHBN-HZPDHXFCSA-N 299.345 3.970 0 40 CHAB CC[n+]1c(/C=C(\C)SC)sc2ccc(OC)cc21 1505321 TWYYBBAISLNZEW-CSKARUKUSA-N 280.438 3.941 0 40 CHAB O=C(O)c1sc(Nc2ccccn2)nc1-c1ccccc1 57352097 MJUSDNLWSBVHTA-UHFFFAOYSA-N 297.339 3.647 0 40 CHAB CC(C)C[C@H](NC(=O)c1ccc[nH]1)c1ccccc1 57897270 SGHSNIDYWZAMNQ-HNNXBMFYSA-N 256.349 3.532 0 40 CHAB C[C@@H](NC(=O)c1ccc(OCC2CC2)cc1)c1ccccc1 48363881 MZDFSNMEIVZQCJ-CQSZACIVSA-N 295.382 3.966 0 40 CHAB Cc1oc(C)c(C(=O)N[C@H](C)c2cccs2)c1C 12889781 PAKHCBSJIQZCLK-SECBINFHSA-N 263.362 3.757 0 40 CHAB Cc1cccc(-n2ncc(C(=O)NC3CCCCC3)c2C)c1 12824115 ZKCVESMELZRBEV-UHFFFAOYSA-N 297.402 3.552 0 40 CHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 3560956 JGCMHKYRBIOZQN-UHFFFAOYSA-N 281.233 3.838 0 40 CHAB Cc1ccc(OCCCC(=O)NCc2ccccc2C)cc1 13011562 XKARLDPWXHZSRS-UHFFFAOYSA-N 297.398 3.779 0 40 CHAB O=C(c1ccsc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 15589916 JANDSSXPIRGSOB-AWEZNQCLSA-N 297.383 3.602 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(F)cc1 19702289 XQZPTCJTTCSDTJ-KRWDZBQOSA-N 296.345 3.551 0 40 CHAB biogenic O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)on1 9458031 HSGUIFAHXGZMRE-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB C[C@H](c1cccs1)N(C)C(=O)Nc1ccccc1 9544339 TZYBZMUVLJSFDT-LLVKDONJSA-N 260.362 3.973 0 40 CHAB Cc1cc(Br)ccc1NCc1ccco1 19905574 KJSOXQUJSSVGAH-UHFFFAOYSA-N 266.138 3.963 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cccc(-c3ncon3)c2)c1 72292836 YLOWEFUXFBFRTM-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1ccccn1 9967667 SXQRTSLCBSUKAJ-QWHCGFSZSA-N 298.411 3.540 0 40 CHAB Cc1nc(C(C)(C)NCCc2scnc2C)sc1C 89558829 FIZVGJCYQWZHKJ-UHFFFAOYSA-N 295.477 3.592 0 40 CHAB CCN(C(C)=O)[C@H](c1ccc(Cl)cc1)c1ccccn1 75137851 QGICHQKCJATNJL-MRXNPFEDSA-N 288.778 3.693 0 40 CHAB CCCCc1ccc(NC(=O)c2cccnc2C)cc1 519401222 ONXQYTDZDSMGPX-UHFFFAOYSA-N 268.360 3.985 0 40 CHAB Cc1nc(S)ccc1[C@H]1CCCCN1C(C)C 72218401 IVKXZLREVGYWDR-CYBMUJFWSA-N 250.411 3.614 0 40 CHAB O=C(c1ccccn1)c1cc(Cl)ccc1Cl 39292238 VYFYNXRADGDHPE-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB Nc1ccc(-c2nc3ccccc3[nH]2)c(Br)c1 73639290 WDPMGUUPBKXZNF-UHFFFAOYSA-N 288.148 3.575 0 40 CHAB CC[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1F 187957101 XYVDJISCUAJOMC-SECBINFHSA-N 289.803 3.627 0 40 CHAB COc1ccc(CC(=O)Nc2ccc(C)c(C)c2)cc1C 224794681 QRVFROAIIKRRPH-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB O=C(Cc1ccccc1F)NCc1ccc2ccccc2c1 45201323 RWHDFUTXYTUARR-UHFFFAOYSA-N 293.341 3.838 0 40 CHAB Cc1cc(N)cc(Br)c1NC1CCCC1 226755681 XKWBUXWLTAFHSG-UHFFFAOYSA-N 269.186 3.694 0 40 CHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222567770 CKRIKJQXXKZMFY-NILFDRSVSA-N 299.399 3.572 0 40 CHAB Cc1ccc(CC(=O)NCCSc2ccccc2)c(C)c1 223893477 PIUCDIZNICCIBX-UHFFFAOYSA-N 299.439 3.754 0 40 CHAB Cc1ccc(CCC2CCN(C(=O)[C@H]3C[C@H]3C)CC2)cc1 40023459 CZSMTMLYCSHLIO-QAPCUYQASA-N 285.431 3.822 0 40 CHAB COC(=O)c1ccc(Cc2ccccc2)n1CC(C)C 226027533 VEYJSFHZKWXFIJ-UHFFFAOYSA-N 271.360 3.522 0 40 CHAB Cc1ccccc1C[C@H](Oc1ccccc1Cl)C(=O)O 225014970 XUVYPBQFDRMKQV-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Cc1c(O[C@H]2CCCCO2)ccc(Br)c1F 84847353 FSUDJWLFFXKJCN-NSHDSACASA-N 289.144 3.802 0 40 CHAB CCc1ccc(CC)c(CNC(=O)c2ccccc2OC)c1 223314673 OEMIVOAZHLBVTJ-UHFFFAOYSA-N 297.398 3.750 0 40 CHAB CCCOc1ccc2c(c1)c(CN)c(C)n2CCC 223756777 NTKNIIWIDFQLKZ-UHFFFAOYSA-N 260.381 3.607 0 40 CHAB Fc1cccc(Br)c1OC(F)(F)Cl 95215635 FRLJKNKCVSYLMS-UHFFFAOYSA-N 275.451 3.756 0 40 CHAB C[C@H](N[C@H](C)C1CC1)c1cccc(Br)c1 35733360 TZTXPIVIGYUQSH-ZJUUUORDSA-N 268.198 3.898 0 40 CHAB CC(C)(C)c1ccc(Oc2cccc(CNN)c2)cc1 90613319 AURALFQOBIGXRT-UHFFFAOYSA-N 270.376 3.740 0 40 CHAB COc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1 91695452 DJZVXRSJDYLBLR-UHFFFAOYSA-N 296.292 3.842 0 40 CHAB O=C(NCc1ccccc1-c1ccsc1)c1cccnc1 96122880 HIVKPUNMYNYHFI-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB Cc1nccn1CCCC(=O)Nc1ccccc1C(C)(C)C 71921715 HUXULGRFGOASOV-UHFFFAOYSA-N 299.418 3.908 0 40 CHAB CSCc1ccnc(NCc2cccs2)c1 96482417 XCWUTPLXRHWCGN-UHFFFAOYSA-N 250.392 3.618 0 40 CHAB O=C(NCc1ccsc1)c1cccc(C(F)(F)F)c1 13698090 RYLFODYXVKSMOZ-UHFFFAOYSA-N 285.290 3.697 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc(F)cc1 13838918 YVSCQVCOHKWRJD-NSHDSACASA-N 286.375 3.974 0 40 CHAB C[C@H]1CCCN(Cc2cccc(Br)c2)C1 14193761 WBAUQFATUPQGAL-NSHDSACASA-N 268.198 3.681 0 40 CHAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1C 14291999 UFVGFNJIZCKTJF-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB CCCCCCC(=O)Nc1ccc(N)cc1Cl 8732383 UVXQFPNZIDDHEG-UHFFFAOYSA-N 254.761 3.831 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2Cl)cn1 22409882 QEHBIZRSBRQEAW-LLVKDONJSA-N 274.751 3.534 0 40 CHAB CCCCSCC(=O)Nc1cccc2cccnc12 24691480 HUGIKPJORCQEAY-UHFFFAOYSA-N 274.389 3.707 0 40 CHAB CSc1nc(-c2ccccc2)c(NC(=O)C2CC2)s1 12442795 WXXFAIHLUUBXKA-UHFFFAOYSA-N 290.413 3.881 0 40 CHAB CCc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1 30695 XKWTZNNZSPFQRC-CYBMUJFWSA-N 269.344 3.655 0 40 CHAB c1cnc2c(COc3ccc4c(c3)OCO4)cccc2c1 11230420 OWNJECCNQTWWHJ-UHFFFAOYSA-N 279.295 3.543 0 40 CHAB CC(=O)c1c(N)nnc(-c2ccccc2)c1-c1ccccc1 1718975 YVDSNKOMBKYTIM-UHFFFAOYSA-N 289.338 3.595 0 40 CHAB Cc1ccc([C@@H](CCN)[C@@H]2CCOC(C)(C)C2)cc1 201903 GXWXGJWPSDTAAG-HZPDHXFCSA-N 261.409 3.633 0 40 CHAB biogenic O=C(CCc1ccccc1Cl)NCc1ccccc1F 29698073 WGZXAHMJRHTERV-UHFFFAOYSA-N 291.753 3.728 0 40 CHAB O=C(Nc1ccc(F)cc1)OCc1cccs1 6863523 VSDCSNPSWUTSBO-UHFFFAOYSA-N 251.282 3.636 0 40 CHAB CC(C)c1nc(SCC(=O)O)c2cc(Cl)ccc2n1 7009723 LJDFDHDKNIFLOH-UHFFFAOYSA-N 296.779 3.583 0 40 CHAB Cc1ccc([C@H](C)Nc2ncnc3sccc23)cn1 32507881 AKIHQBGRTCJUBM-JTQLQIEISA-N 270.361 3.568 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCCCCC1 8497128 OFEUZPSFIXJGFF-INIZCTEOSA-N 275.392 3.555 0 40 CHAB CC(C)c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1 571274 UFGSLPLIARWEBQ-UHFFFAOYSA-N 281.359 3.592 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccccc1 22520118 NDMBZNNYDICZRK-SFHVURJKSA-N 297.398 3.811 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2C1 100526872 APLUXIOEUVUFLR-IYBDPMFKSA-N 283.371 3.539 0 40 CHAB O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o1 8007639 FAQFKAVQKCOMHV-UHFFFAOYSA-N 278.720 3.795 0 40 CHAB CC[C@H](C)NC(=O)c1sccc1-c1ccccc1 27337403 NROOZHJIKLCLJY-NSHDSACASA-N 259.374 3.943 0 40 CHAB Clc1ccc(CNCc2csc(C3CC3)n2)cc1 69876349 IYKPGLZWOMLWOC-UHFFFAOYSA-N 278.808 3.964 0 40 CHAB Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1F 13320162 KUZXKEFDNDUSAQ-SMDDNHRTSA-N 264.344 3.834 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3nc(C)cn3c2)C1(C)C 65518272 ALDVBXYHIHRBQN-HOCLYGCPSA-N 297.402 3.820 0 40 CHAB CC(C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14186773 OINVVEGQTABWHW-UHFFFAOYSA-N 273.307 3.756 0 40 CHAB CCSCCC(=O)Nc1c(C)cccc1OC(F)F 69517029 YCGYMJMNJQXACR-UHFFFAOYSA-N 289.347 3.678 0 40 CHAB O=C(Nc1cccc(N2CCCC2)c1)Oc1ccccc1 15108640 GASCBBRLSLDWQB-UHFFFAOYSA-N 282.343 3.898 0 40 CHAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCC(c2ccccc2)CC1 71835058 WTKJTMTWCBYQCL-IAGOWNOFSA-N 295.382 3.789 0 40 CHAB O=C(O)c1csc2c1CC[C@H](c1ccccc1)C2 9646746 ZJGLZSUOMCGIQE-NSHDSACASA-N 258.342 3.719 0 40 CHAB CC(C)c1nnc(NCc2csc(C3CC3)n2)s1 97045325 OLWCEDUZNGXTJL-UHFFFAOYSA-N 280.422 3.608 0 40 CHAB CCO[C@@H]1C[C@H](NCc2cccc(O)c2)C12CCCCC2 75092250 IIRGZAREOFZPFD-DLBZAZTESA-N 289.419 3.610 0 40 CHAB CCN1C(=O)/C(=C\c2ccc(F)cc2)c2ccccc21 409120605 RCKDHCQVSHRHDL-PTNGSMBKSA-N 267.303 3.733 0 40 CHAB S=c1[nH]nc(Cc2ccccc2)n1CCc1ccccc1 35316165 JLPFFGWHCFFSNR-UHFFFAOYSA-N 295.411 3.774 0 40 CHAB CCCCNc1ccc([C@H]2CCCCN2CC)cn1 72213675 MBMDAUZLYVOHAX-OAHLLOKOSA-N 261.413 3.841 0 40 CHAB COc1ccccc1-c1cccc([C@@H]2CCCN(C)C2)n1 72348556 VUHCJFPZTHNUJI-CQSZACIVSA-N 282.387 3.566 0 40 CHAB CCC1(CC)CCCN(C(=O)CC[C@H]2CCOC2)CC1 188867030 DBWYQFDTQOPQME-HNNXBMFYSA-N 281.440 3.622 0 40 CHAB CCC[n+]1ccc(-c2nc3ccccc3s2)cc1 226773821 ZJJRFDBNRBHJEZ-UHFFFAOYSA-N 255.366 3.661 0 40 CHAB CCCc1ccc(C(=O)O)n1Cc1ccc(Cl)cc1 226026261 CZAFVAKJBUOIIY-UHFFFAOYSA-N 277.751 3.841 0 40 CHAB Cc1cc(C)cc(C[C@H](Oc2cc(C)cc(C)c2)C(=O)O)c1 225036742 FKXOICCNUBHABR-SFHVURJKSA-N 298.382 3.995 0 40 CHAB Cc1cccc(CCCNC(=S)Nc2ncccc2C)c1 225394036 FALKMDOFQCHYFT-UHFFFAOYSA-N 299.443 3.618 0 40 CHAB CCCNC(=O)c1sc(-c2ccccc2)cc1OCC 48506904 MQCNFWKVTZLFQX-UHFFFAOYSA-N 289.400 3.954 0 40 CHAB c1cc([C@@H]2CCCCN2Cc2ccc3cc[nH]c3c2)ncn1 257287095 POMRNMLUINEGAE-SFHVURJKSA-N 292.386 3.685 0 40 CHAB CC(=O)c1cccc(Oc2nnc(C)c3ccccc23)c1 12869775 BLYUUVYTQCSUMU-UHFFFAOYSA-N 278.311 3.933 0 40 CHAB C1=C(CN[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)COCC1 19373869 JKBWPCKVBNIZSK-MUGJNUQGSA-N 297.442 3.895 0 40 CHAB O[C@@H](c1ccc(F)cc1)c1ccc(F)c(Cl)c1 4242377 XXHWEAJOWLZYCT-ZDUSSCGKSA-N 254.663 3.700 0 40 CHAB CCOc1cc2c(cc1OCC)[C@H]([C@H](C)CC)NCC2 141633 IOEDBYAFSCGWPC-PXAZEXFGSA-N 277.408 3.717 0 40 CHAB Nc1[nH]nc(C(F)(F)F)c1-c1ccc2ccccc2c1 225815828 GUUMXBBDKGLQDF-UHFFFAOYSA-N 277.249 3.831 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)o1 252956 DCWAMTFKXWTGTE-UHFFFAOYSA-N 264.712 3.506 0 40 CHAB CCCCN(CCCC)C(=N)c1c(OC)cccc1OC 1583663 GSIKKPOQCRPINJ-UHFFFAOYSA-N 292.423 3.931 0 40 CHAB COC(=O)c1cccc(C)c1C(=O)c1ccc(C)cc1C 1600773 FGYJGDIRMNUSMY-UHFFFAOYSA-N 282.339 3.629 0 40 CHAB CCCCNc1ccc2c(c1)[C@@H](O)c1ccccc1-2 1724491 VBFQIRHSJQJWAI-KRWDZBQOSA-N 253.345 3.961 0 40 CHAB CCOC(=O)CN(C1CCCCC1)C1CCCCC1 2035974 YFNGCKXAIRGJTA-UHFFFAOYSA-N 267.413 3.517 0 40 CHAB CC(=O)Nc1cccc(/C=C/c2nc3ccccc3[nH]2)c1 3845345 ZCCBKTRCCOYLJF-MDZDMXLPSA-N 277.327 3.692 0 40 CHAB COc1ccccc1C(=O)N(Cc1ccccc1)C(C)C 4616999 TXIKMKAAULNGNB-UHFFFAOYSA-N 283.371 3.746 0 40 CHAB Nc1ccc2c(cnn2Cc2ccc(Cl)c(Cl)c2)c1 8699384 KWJBECXDDYOCBA-UHFFFAOYSA-N 292.169 3.974 0 40 CHAB Cc1cc(Cl)ccc1OCCCC(=O)NC1CCCC1 2748114 XCNUPDBVNSFSLX-UHFFFAOYSA-N 295.810 3.866 0 40 CHAB COc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1 2736370 WVTJHOJUIVWZAZ-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB COc1ccc(/C=C(\C)C(=O)O)cc1OC1CCCC1 34399861 TWMCIJDQYXIRRL-PKNBQFBNSA-N 276.332 3.505 0 40 CHAB O=C(c1ccsc1)c1ccc(Br)cc1F 43210308 GTZFIVILTBBWAE-UHFFFAOYSA-N 285.137 3.881 0 40 CHAB Cc1ccc(C(=O)Oc2cc(-c3ccccc3)no2)cc1 1386451 CRYZHTHRFBWCQC-UHFFFAOYSA-N 279.295 3.869 0 40 CHAB C1=C(c2ccccc2)CCN(Cn2cnc3ccccc32)C1 25286242 AVGIQRYAGVZRCF-UHFFFAOYSA-N 289.382 3.783 0 40 CHAB CCc1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1 57351212 IWJYAZWIUMEQRW-UHFFFAOYSA-N 297.383 3.693 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Nc1ccc(F)cc1 57634868 KOJSKRHKUZSVNW-QWHCGFSZSA-N 298.361 3.604 0 40 CHAB CC(C)(C)[C@H](NC(=O)c1ccncc1)c1cccs1 44520458 XQJXQYBFDQHRFW-CYBMUJFWSA-N 274.389 3.660 0 40 CHAB O=C(O)[C@@H](Oc1ccccc1Cl)c1ccccc1 2017922 RAZABXQTXNREAC-ZDUSSCGKSA-N 262.692 3.545 0 40 CHAB COCc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 7915213 BFWKYBPGBXCBOA-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB CC(C)CC(=O)Nc1ncc(-c2ccccc2)s1 36398256 LVTCRIOACNQQLH-UHFFFAOYSA-N 260.362 3.795 0 40 CHAB Cc1ccccc1NC(=O)CN[C@@H]1CCCc2ccccc21 3339708 LJAADATYVQDVAG-GOSISDBHSA-N 294.398 3.601 0 40 CHAB Cc1occc1C(=O)N[C@H]1CCSc2ccc(F)cc21 12872908 COMSQZCFPSFEHQ-ZDUSSCGKSA-N 291.347 3.694 0 40 CHAB CCCNC(=O)N[C@H](CC)c1ccc(Cl)cc1 13329002 YBDCJYANPKFWNC-GFCCVEGCSA-N 254.761 3.500 0 40 CHAB CC(=O)c1ccc(NC(=O)CCc2ccsc2)cc1 8344662 CNQLSWSDBUVWIJ-UHFFFAOYSA-N 273.357 3.522 0 40 CHAB CCc1ccccc1NC(=O)NCc1ccccc1F 17007074 UWQBXPMXVJYRTK-UHFFFAOYSA-N 272.323 3.710 0 40 CHAB CCC(=O)Nc1nc(-c2nc3ccccc3s2)cs1 14069635 URZLCOIGKCZCPI-UHFFFAOYSA-N 289.385 3.768 0 40 CHAB Cc1ccoc1C(=O)Nc1ccc(Br)cc1 19431616 SBVVNOAWPCRLNZ-UHFFFAOYSA-N 280.121 3.603 0 40 CHAB C[C@H](Sc1nncn1C)c1ccc(C(F)(F)F)cc1 69530155 DSNOKGAAODPCCM-QMMMGPOBSA-N 287.310 3.687 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1ccccc1Cl 14903649 MBTSGRRVOPIJLL-OAHLLOKOSA-N 271.747 3.757 0 40 CHAB Cc1noc([C@H](C)[S@@](=O)Cc2ccc(C(C)C)cc2)n1 71887986 QPRFOQXPWZDOBH-PRWKNARSSA-N 292.404 3.511 0 40 CHAB C[C@@H](Nc1cnn(C(C)(C)C)c1)c1nc2ccccc2o1 97140027 ALAQJBVYTBRMAJ-LLVKDONJSA-N 284.363 3.952 0 40 CHAB COc1ccccc1[C@H](C)SCc1cnc(C)cn1 78931992 HZQUIPBRQIPJND-LBPRGKRZSA-N 274.389 3.788 0 40 CHAB Cc1cc(C)c2nc(NC[C@H]3CCCO3)sc2c1 75172862 DXEAUHURDYQICY-LLVKDONJSA-N 262.378 3.504 0 40 CHAB O=[N+]([O-])/C=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 408786770 NKIWQLBRURISSD-BQYQJAHWSA-N 287.300 3.555 0 40 CHAB Fc1ccccc1[C@H]1NCc2ccccc2-n2cccc21 55028050 XXUDAETZNPQVFA-GOSISDBHSA-N 278.330 3.809 0 40 CHAB Cc1ccncc1[C@H]1CCCN1C(=O)OCc1ccccc1 72211394 GQEFIBARVIANDW-QGZVFWFLSA-N 296.370 3.864 0 40 CHAB O[C@@H](c1ccccc1)c1ccc(N2CCCCCC2)nc1 72225472 LNYDYWVCSRWOMX-SFHVURJKSA-N 282.387 3.544 0 40 CHAB CC(=O)N1CCC[C@@H]1c1cccnc1Sc1ccccc1 72217654 RSNHIHFPPJPOHI-MRXNPFEDSA-N 298.411 3.916 0 40 CHAB C[C@H](NC(=O)c1cc(F)ccc1Cl)c1ccccc1 72331799 OJUPJGZNGZOYMB-JTQLQIEISA-N 277.726 3.970 0 40 CHAB NNc1nc2ccc(-c3nc4ccccc4s3)cc2s1 40542355 FXOOBKIPDGBHLG-UHFFFAOYSA-N 298.396 3.859 0 40 CHAB CCCNC(=O)c1ccc(Nc2cc(C)cc(C)c2)c(N)c1 225419604 MMBMYRMSTUOIKW-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB CCOc1ccc(-c2nc(C(C)(C)C)n[nH]2)cc1OCC 85385180 XZOPQATULFPVIF-UHFFFAOYSA-N 289.379 3.567 0 40 CHAB CC(C)(C)c1ccccc1OCC[C@@H]1CCCNC1 42772444 CERGIWJCBHXBTH-AWEZNQCLSA-N 261.409 3.753 0 40 CHAB COC(=O)[C@H](C)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223193874 DEJUSQISLVHUNU-QWRGUYRKSA-N 295.810 3.994 0 40 CHAB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1ccc(Cl)cc1 43879459 XINNVJVACLFOKY-CMPLNLGQSA-N 280.751 3.804 0 40 CHAB Fc1cc(F)c2nc(NCc3ccncc3)sc2c1 42379476 BOJZFYMXMNKLBU-UHFFFAOYSA-N 277.299 3.582 0 40 CHAB FC(F)(F)C1(c2ccc(Br)cc2)N=N1 139026766 YBEXZCGWGWNLQQ-UHFFFAOYSA-N 265.032 3.630 0 40 CHAB Cc1cc(N)cc(C)c1NC(=O)c1cccc(Cl)c1 45888799 OPDDVYMRTITRSI-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Brc1cccc(-c2c[nH]c3ccccc23)n1 44029824 CNUBYDFCZYYLQD-UHFFFAOYSA-N 273.133 3.992 0 40 CHAB O=C(c1ccc(F)cc1)c1ccnc2ccccc12 83314129 UDRYBENQPAMUHB-UHFFFAOYSA-N 251.260 3.605 0 40 CHAB CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 83312629 XMECQSFJGDKXMO-UKTHLTGXSA-N 269.325 3.506 0 40 CHAB O=C(c1ccco1)N1CCc2c1cccc2C(F)(F)F 95940120 LJADPUJWURQWOQ-UHFFFAOYSA-N 281.233 3.501 0 40 CHAB COc1cc(OCc2cccc(Cl)c2)c(C(=O)O)s1 96510889 ULELOAYXBJNXOV-UHFFFAOYSA-N 298.747 3.687 0 40 CHAB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(C)cc1 95116830 BNUFNGZKMRGDQM-HNNXBMFYSA-N 282.343 3.676 0 40 CHAB CCCCC1(COc2ccc(C(=O)O)cn2)CCC1 95093872 JCRCAVFVCBZSMP-UHFFFAOYSA-N 263.337 3.519 0 40 CHAB CCC(CC)[C@H]1C[C@@H](NC(=O)C(C)C)[C@@H]2CCC[C@H]2O1 257237337 HGARQYJTNXXMJA-ZJIFWQFVSA-N 281.440 3.521 0 40 CHAB OCc1sc(-c2ccccc2)nc1-c1ccccc1 5177663 IVIJHUHOSCRMNY-UHFFFAOYSA-N 267.353 3.969 0 40 CHAB CSc1ccccc1NC(=S)NCc1ccccc1 6333720 NSZRNODTBHNHII-UHFFFAOYSA-N 288.441 3.895 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)OCc1ccc(F)cc1 5400906 BHAUBHMCDPNTQH-UHFFFAOYSA-N 283.302 3.593 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 12019886 LNKGOFQCXGLVGQ-UHFFFAOYSA-N 297.354 3.935 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)c1ncoc1-c1cccs1 12239817 KNKTVEORODSLJB-QWRGUYRKSA-N 290.388 3.712 0 40 CHAB Cc1cccc(CCCNC(=O)c2cccc(C)c2)c1 13668515 BJIZMUFAQUKOEX-UHFFFAOYSA-N 267.372 3.666 0 40 CHAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 15366670 MJEFYIRREPGQSM-CQSZACIVSA-N 299.370 3.718 0 40 CHAB CCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12 16994309 OPMLPKQTOYWIOF-UHFFFAOYSA-N 296.374 3.733 0 40 CHAB CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCO[C@]2(CCSC2)C1 152632527 PCTABRSVSCXOCC-YLFCFFPRSA-N 295.492 3.623 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C)cc2Cl)c(N)c1 226347167 FUXLECMLCHBTAV-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Cc1ccc(Cl)cc1Nc1ccc(N)cc1C(=O)O 37930118 CEFMXJORODRQJT-UHFFFAOYSA-N 276.723 3.672 0 40 CHAB CC(C)C[C@H](NC(=O)c1ccccn1)c1ccccc1 13005781 XOZJMJXDUXORDT-INIZCTEOSA-N 268.360 3.599 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccccc1S[C@H](CC)C(=O)O 8732870 MMJADUJNIUOJJG-ZYHUDNBSSA-N 295.404 3.627 0 40 CHAB C[n+]1c(/C=C/Nc2ccccc2)sc2ccccc21 100007146 WPAWCEDYOJAKSM-UHFFFAOYSA-O 267.377 3.809 0 40 CHAB in-vitro O=C(c1cccnc1Oc1ccccc1)N1CCCCC1 20031167 VOEBKLJUGUXYGQ-UHFFFAOYSA-N 282.343 3.500 0 40 CHAB FC(F)Sc1nc2ccccc2n1C(F)F 93450 NHBXPXYRTCDIEV-UHFFFAOYSA-N 250.220 3.746 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cc2ccccc2c(=O)o1 204917 FCFULMSPKPEHBL-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB Nc1ccc2c(c1)Cc1c-2cc(Cl)c(N)c1Cl 1638395 ZALWCWXSZOGCOW-UHFFFAOYSA-N 265.143 3.729 0 40 CHAB CCCCCCOc1ccc(C=O)cc1OCC 11801253 UKYSGFDCRKZKPC-UHFFFAOYSA-N 250.338 3.857 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)C[C@@]43C)[C@@H]1CC[C@@H]2O 4302981 ZRIOQYDHRPOBLF-WGXHNRFESA-N 276.420 3.569 0 40 CHAB CCOc1c(Cl)cc(CNC(C)(C)C)cc1OC 8253371 IVSVYPGVWDXXCL-UHFFFAOYSA-N 271.788 3.635 0 40 CHAB Cc1cccc(-c2cc3ccc(N(C)C)cc3c(N)n2)c1 58575335 CHKVCLVBUNSRFG-UHFFFAOYSA-N 277.371 3.858 0 40 CHAB CCCN1C(=O)N(c2ccc(C)cc2)[C@@](C)(O)CC1(C)C 493870 WVQTUIPIQWCXEY-KRWDZBQOSA-N 290.407 3.524 0 40 CHAB O=C(Nc1cccnc1)c1ccccc1Cc1ccccc1 32901877 UWSIMCSCHLAVBF-UHFFFAOYSA-N 288.350 3.925 0 40 CHAB C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102382814 RAEVZJVIAYFCKP-IYTWNDGFSA-N 283.415 3.731 0 40 CHAB CSc1nc2ccccc2n1Cc1ccccc1 574161 NFICQRPMWZBBDK-UHFFFAOYSA-N 254.358 3.807 0 40 CHAB CCC(=O)Nc1c(-c2ccc(C)cc2)nc2sccn12 26688354 RRIQHJUKANTVRY-UHFFFAOYSA-N 285.372 3.720 0 40 CHAB CN[C@H](C)CC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2Br 100386866 WARBFBZIVXACJQ-RRRYPMDASA-N 286.257 3.574 0 40 CHAB COc1ccccc1C1=N[C@H](c2ccc(F)cc2)N=C1C 1386251 GZHJDXCKHQLJST-QGZVFWFLSA-N 282.318 3.797 0 40 CHAB Cc1ccc(OCCCCn2nnc3ccccc32)c(C)c1 35143493 RSKBADRCNQMWIZ-UHFFFAOYSA-N 295.386 3.907 0 40 CHAB O=C(NCCc1ccccc1)Nc1cccc2cnccc12 26820309 XUHBZKHRZZSENP-UHFFFAOYSA-N 291.354 3.599 0 40 CHAB CCCOc1ccc(NCC(=O)Nc2ccccc2)cc1 1912030 LJAMOZFJLOIFAM-UHFFFAOYSA-N 284.359 3.526 0 40 CHAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc(C)cc2)cc1 8392269 MBKAPLBLTQMHGC-AWEZNQCLSA-N 282.387 3.997 0 40 CHAB CC[C@H](NC(=O)CCc1ccccc1)c1ccc(OC)cc1 20042133 SQANGSYVGSOZON-SFHVURJKSA-N 297.398 3.895 0 40 CHAB Cc1nc(S)sc1Cc1ccc(Cl)cc1 3434874 AYWHLWUPVLKZIK-UHFFFAOYSA-N 255.795 3.984 0 40 CHAB O=C(NCc1ccccc1Cl)Nc1cccnc1Cl 49203994 HZWFTVJNSJIJLT-UHFFFAOYSA-N 296.157 3.710 0 40 CHAB CC(C)Cc1ccc([C@@H](C)C(=O)NCc2cccnc2)cc1 4631076 PGGSHPXYXCGYPZ-OAHLLOKOSA-N 296.414 3.700 0 40 CHAB c1cncc(-c2ncc(CNC3CCCCC3)s2)c1 80328122 XVOVQKKBMCFVGB-UHFFFAOYSA-N 273.405 3.627 0 40 CHAB Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)n1 9338799 IKCRRZNJBYCQDP-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB Cc1cccnc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 9339376 YAGJUPAUKZBXQD-OLZOCXBDSA-N 286.762 3.786 0 40 CHAB CC(C)c1ccc(CCc2nc3ccccc3c(=O)[nH]2)cc1 24613802 YTBOWXDNRNIORD-UHFFFAOYSA-N 292.382 3.832 0 40 CHAB CC[C@H](NC(=O)c1ccc(C)s1)c1c(C)noc1C 89947782 XXJDWYRBCZDPGU-NSHDSACASA-N 278.377 3.542 0 40 CHAB O=C([C@@H]1CCCS1)N1CCCCC[C@@H]1c1ccco1 75201194 LFNWZZIGPMXOHY-OCCSQVGLSA-N 279.405 3.619 0 40 CHAB CCc1nnc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)o1 79103733 PFQZGNVAZMMRLA-CRAIPNDOSA-N 297.402 3.533 0 40 CHAB CCN(CC)CCCN[C@@H]1C[C@@H](C(C)C)O[C@@H](C(C)C)C1 524734826 BPDWPZDLLOSKQI-BCDXTJNWSA-N 298.515 3.536 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C[C@@H](O)[C@H]2O 123392951 YSIYIHBXKQHUCK-LBYBGDIDSA-N 292.463 3.751 0 40 CHAB CN1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214063 XIIKQNIHMBFIOB-OAHLLOKOSA-N 253.349 3.592 0 40 CHAB COc1ccc(NC(=O)C2(OC)CCCCC2)cc1Cl 184870127 WVJNSWKDLMWKCN-UHFFFAOYSA-N 297.782 3.636 0 40 CHAB NC(=O)/C=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 44262021 VIVBJCORTAIBRT-UTCJRWHESA-N 282.126 3.752 0 40 CHAB O=C(NCCCc1ccco1)C1(c2ccccc2)CCCC1 223584555 NCVZZASOQXIMPT-UHFFFAOYSA-N 297.398 3.840 0 40 CHAB CC[C@H](C)n1c(Cc2ccccc2)ccc1C(=O)OC 226027653 OKJZUBGCTSXGMP-ZDUSSCGKSA-N 271.360 3.837 0 40 CHAB Fc1ccc(CNC(=S)Nc2c(F)cccc2F)cc1 225444607 GMQOLOUEJSKTTG-UHFFFAOYSA-N 296.317 3.591 0 40 CHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c(C)c1 225731424 OHNHTVLPLVALIQ-INIZCTEOSA-N 279.380 3.537 0 40 CHAB CCOc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 225785628 UQCMNZLPOBTEJQ-GYSYKLTISA-N 293.794 3.657 0 40 CHAB CCc1ccc(CC(=O)NC2CCCCCC2)cc1 225858421 XPTLXFIXTAWOND-UHFFFAOYSA-N 259.393 3.631 0 40 CHAB CCCn1cc(C=O)c2ccc(Br)cc21 199798542 STYICFUXTLNXGH-UHFFFAOYSA-N 266.138 3.626 0 40 CHAB CC[C@@H](NC(=O)Nc1ccc(OC)c(C)c1)c1ccncc1 96434221 JLTCQSPAASWHKC-OAHLLOKOSA-N 299.374 3.671 0 40 CHAB CC[C@@H](C)n1nccc1CNc1cc(C)n(CC(C)C)n1 256053266 QTSYDDIPTWKIDN-CYBMUJFWSA-N 289.427 3.627 0 40 CHAB CC(C)(C)c1ccc2c(Br)n[nH]c2c1 44185516 FYMJKYBHEFGDSH-UHFFFAOYSA-N 253.143 3.623 0 40 CHAB O=C(Nc1ccc(O)c(Cl)c1)c1cc2c(s1)CCC2 85204498 VTJZJCGKZZHRJW-UHFFFAOYSA-N 293.775 3.848 0 40 CHAB Cc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)n1 1006184 HRKYZGPNKMKORF-GXDHUFHOSA-N 296.351 3.631 0 40 CHAB COc1ccc(SCC(=O)Nc2cccc(C)c2)cc1 5755528 JSWXQNMEDXKNSP-UHFFFAOYSA-N 287.384 3.734 0 40 CHAB Cc1ccccc1CC(=O)Nc1c(C)cccc1C 13012454 WXEUGKNTYDEWQH-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 13023729 PWQDMRIBILHQAA-HUUCEWRRSA-N 295.382 3.740 0 40 CHAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 14215640 YZNLLKVROBFGQA-INIZCTEOSA-N 297.398 3.868 0 40 CHAB S=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2CC[C@@H]1C2 16212193 LXBJMJNIMDMNNW-CWSCBRNRSA-N 280.824 3.815 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccccc1 6309412 UMUUFHADBZBLDZ-FNDVETGQSA-N 281.355 3.586 0 40 CHAB COC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 41080809 MHNKIBRPKHLYEY-UHFFFAOYSA-N 276.380 3.580 0 40 CHAB CC[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccccc1 51627860 FXOWISHSEMUZRB-SJORKVTESA-N 273.351 3.600 0 40 CHAB O=C(NCc1cc(-c2ccco2)cs1)c1ccco1 1775967765 CEZAOHLLEFPINX-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB c1ccc(CN2COc3c(ccc4cccnc34)C2)cc1 32239901 JBAICFRJIDOZTQ-UHFFFAOYSA-N 276.339 3.587 0 40 CHAB CC[C@@H](C)C(=O)c1cc(C(F)(F)F)ccc1OC 575360454 HMIUFFLFUHEJCD-MRVPVSSYSA-N 260.255 3.943 0 40 CHAB FC(F)(F)Oc1ccc(-c2cnc(NC3CC3)nc2)cc1 1495286 UULNZVRUQUEXLL-UHFFFAOYSA-N 295.264 3.617 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccncc1 68982 LHDCFGCIWDEZFT-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C1CCCC[C@H]1[C@H](O)c1c(Cl)cccc1Cl 1567506 FZYIXDFVZCYBSS-OQPBUACISA-N 273.159 3.786 0 40 CHAB CN(C)Cc1cn(-c2ccccc2)c2ccccc12 1713956 YQRFNATTXLUGAO-UHFFFAOYSA-N 250.345 3.692 0 40 CHAB O=C(O)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 2566761 LTERWCBGUKUIRZ-CYBMUJFWSA-N 261.708 3.578 0 40 CHAB CC(C)c1nnc(NC(=O)CCCc2ccccc2)s1 380365 GCKFZYXSBVTBPM-UHFFFAOYSA-N 289.404 3.623 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 6029748 CCJNMEQZXPJRNZ-UHFFFAOYSA-N 296.370 3.842 0 40 CHAB CCCCCCOc1ccc(CO)cc1OCC 6273299 GAOAZSRBNLXAOH-UHFFFAOYSA-N 252.354 3.537 0 40 CHAB Cc1cc(C)cc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 6903620 VHZJCFMKDCXUGC-GUTXKFCHSA-N 274.433 3.778 0 40 CHAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(F)cc1 10542378 QROKJRMUMJALHA-UHFFFAOYSA-N 291.753 3.842 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1F 7940298 GERUMXAJRKXQAC-SOFGYWHQSA-N 289.281 3.625 0 40 CHAB O=C(NCCC1=CCCCC1)c1ccc(F)c(F)c1 28210413 MGKYVANGEPAGEX-UHFFFAOYSA-N 265.303 3.585 0 40 CHAB CCOc1ncccc1NC(=O)c1ccc(F)cc1Cl 27586734 OOEBMNKASNPYIN-UHFFFAOYSA-N 294.713 3.525 0 40 CHAB CCCCOP(=O)(NCC(C)C)OCCCC 2196154 WTZLLNJAJQDGJJ-UHFFFAOYSA-N 265.334 3.974 0 40 CHAB Cc1cccc(NC(=O)N(Cc2ccncc2)C2CC2)c1 16499817 LRCWWVRNVBZSFO-UHFFFAOYSA-N 281.359 3.587 0 40 CHAB c1ccc2c(SCc3cn4ccccc4n3)nncc2c1 12600383 VXWBHULTISEDLA-UHFFFAOYSA-N 292.367 3.570 0 40 CHAB CC[C@H](NC(=O)Cc1cccc(OC)c1)c1ccc(C)cc1 12764943 LDKMJQOVLMFKIH-SFHVURJKSA-N 297.398 3.814 0 40 CHAB Cc1cccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c1 12820564 JJCUITZAILCXKN-QGZVFWFLSA-N 265.356 3.755 0 40 CHAB CCCCNC(=O)c1sc2c(N)cccc2c1Cl 20160183 AFCHUWASMHBCQQ-UHFFFAOYSA-N 282.796 3.667 0 40 CHAB CCCCCOc1ccc(C(=O)Nc2nccs2)cc1 3459668 VGWQKNBNQFFRPI-UHFFFAOYSA-N 290.388 3.964 0 40 CHAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c(C)o1 12931569 SUXMKMYFCMWORK-NWDGAFQWSA-N 289.297 3.747 0 40 CHAB CC(C)c1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1 13249097 PRNSMVFSAWQREZ-UHFFFAOYSA-N 289.375 3.784 0 40 CHAB CCc1nc(N2CCCCC2)c2oc3ccccc3c2n1 4310148 DQJJNLFCCNCFSY-UHFFFAOYSA-N 281.359 3.929 0 40 CHAB O=C(Nc1ccccc1C1CC1)c1ccccc1F 4703800 WKBUILPMBPJQOW-UHFFFAOYSA-N 255.292 3.955 0 40 CHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccco1 8708284 BPYRPZGZLLKEHG-UHFFFAOYSA-N 298.264 3.617 0 40 CHAB Cc1cc(C)nc(SCC(=O)c2ccc(Cl)s2)n1 19849266 MRFCQKWNRJKMPZ-UHFFFAOYSA-N 298.820 3.783 0 40 CHAB CCCCOc1cccc(N[C@@H](C)c2nnc(C)o2)c1 71902565 RLYLRRCLSJYWRZ-NSHDSACASA-N 275.352 3.730 0 40 CHAB CCCc1noc2nc(-c3ccccc3)cc(C(=O)O)c12 20081488 SOSARRJMFYTUEC-UHFFFAOYSA-N 282.299 3.541 0 40 CHAB Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cn1 72313217 NMSMQBLXQWLNNR-KRWDZBQOSA-N 298.361 3.897 0 40 CHAB O=C(NC1CC1)c1ccc(NCCCc2ccccc2)cc1 97393596 LEKZBKYRBBFXBU-UHFFFAOYSA-N 294.398 3.624 0 40 CHAB CC(C)COc1ccc(C(=O)Nc2ccc(F)cc2)cn1 84544463 OOOFIAZFBKZDKI-UHFFFAOYSA-N 288.322 3.508 0 40 CHAB C[C@@H](CC[C@@H]1CCCO1)NCc1cnc(C2CCC2)s1 95415434 APIFIPSYFVBPMC-JSGCOSHPSA-N 294.464 3.848 0 40 CHAB C[C@H](NCC[S@@](=O)C(C)(C)C)c1cc2ccccc2o1 95968127 GWPVQKBLQIGYOR-YUNKPMOVSA-N 293.432 3.631 0 40 CHAB O=C(c1c(F)ccc(-c2ccccn2)c1F)C(F)(F)F 115960059 YRCOATYSAPHMNU-UHFFFAOYSA-N 287.187 3.772 0 40 CHAB CCc1c(-c2cc(Cl)ccc2Cl)nn(C)c1N 36916325 MKUQLHQHHNDDCJ-UHFFFAOYSA-N 270.163 3.539 0 40 CHAB Clc1ccccc1C[n+]1ccc2sccc2c1 39248203 OQXLLGWEACZMFD-UHFFFAOYSA-N 260.769 3.891 0 40 CHAB in-vitro Fc1cc(Br)ccc1CNCc1ccccc1 36984869 XDLUMCQQZPNVJK-UHFFFAOYSA-N 294.167 3.878 0 40 CHAB COCCC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 79360300 DRNUTMWOVZZQLE-CQSZACIVSA-N 299.370 3.802 0 40 CHAB Cc1nc(N)sc1Cc1cccc(Cl)c1C 36205901 SNZILZSWKUDPAI-UHFFFAOYSA-N 252.770 3.586 0 40 CHAB O=Cc1cn(C(=O)c2cccc(Cl)c2)c2ccccc12 49881217 VYPLDSKGNNZEFG-UHFFFAOYSA-N 283.714 3.796 0 40 CHAB O=C(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1ccc[nH]1 48368447 GLQZUTCOAMEAOM-CQSZACIVSA-N 292.741 3.785 0 40 CHAB Clc1nc2c(Br)ccc(Cl)c2[nH]1 238565467 YJHCMFOOMVDGNZ-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB S=c1[nH]cc(-c2cccc(Br)c2)o1 40478753 ULOBZDUUFLQZFQ-UHFFFAOYSA-N 256.124 3.767 0 40 CHAB COC(=O)C[C@@H]1COc2c(Cl)cc(Cl)c(Cl)c21 585656379 PDHUOFHLJNQEFK-RXMQYKEDSA-N 295.549 3.686 0 40 CHAB CCCn1c(SCC=C(C)C)nc2ccccc2c1=O 1613326824 UDHQVWOPJAHORJ-UHFFFAOYSA-N 288.416 3.865 0 40 CHAB Cc1cccc(/N=c2/[nH]c(=O)cc(-c3ccccc3)s2)c1 6044720 LKBYYKFUJUPYKU-UHFFFAOYSA-N 294.379 3.644 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(F)c1 15227380 MRVBJUVIKGWWMS-UHFFFAOYSA-N 291.341 3.663 0 40 CHAB C[C@H](O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 16576732 JCMGVNDLXSFCAW-JTQLQIEISA-N 275.735 3.646 0 40 CHAB C1=C(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)COCC1 19373867 JKBWPCKVBNIZSK-YRPNKDGESA-N 297.442 3.895 0 40 CHAB CC(=O)Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 9659948 PSEHENWGLSJJFO-UHFFFAOYSA-N 297.285 3.558 0 40 CHAB Cc1cnc(C(=O)Nc2ccc(C(C)C)cc2)c(F)c1 1889136145 AIKNMJBSMYLDAP-UHFFFAOYSA-N 272.323 3.905 0 40 CHAB Nc1cc(C(=O)OCc2ccc(Cl)cc2)ccc1Cl 10874299 HSCSXHUFKNHMQP-UHFFFAOYSA-N 296.153 3.933 0 40 CHAB Cc1sc(C2CCNCC2)nc1-c1ccc(F)cc1 53252430 GVYNCFATVKHYOQ-UHFFFAOYSA-N 276.380 3.725 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)CCC2 414164 QBAOOZJVTJFNTH-UHFFFAOYSA-N 290.366 3.838 0 40 CHAB N[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCCCC1 20260301 ARKAXDRQVKGTDS-RTBURBONSA-N 280.415 3.914 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2N 66065844 VPONVJPFULJPAN-SFFUCWETSA-N 271.404 3.576 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4027115 VRAQFSFGVZLHAG-AYJJNYRMSA-N 286.371 3.951 0 40 CHAB biogenic O=C1Nc2ccccc2/C1=C/c1ccc(Cl)cc1 136981 CIXKMQYKNWKSNZ-LCYFTJDESA-N 255.704 3.833 0 40 CHAB Cc1ccc(NC(=O)/C=C/c2ccncc2)c(Cl)c1 29107975 IQAZCMDWVARGDA-HWKANZROSA-N 272.735 3.695 0 40 CHAB COc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2562119 LOGUEJGCNZQEKK-UHFFFAOYSA-N 285.734 3.596 0 40 CHAB COc1ccccc1CCC(=O)c1ccc(F)cc1 2516460 MUGWJGINABNQGG-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB CCCC[C@@H](C(=O)c1ccccc1)N1CCCCC1 1687268 ACEVRBWGLLSTDJ-INIZCTEOSA-N 259.393 3.914 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1cccnc1Cl 259009 KOUWHZOQTCSWJR-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB in-vitro CN(C)C1CCC(CC2CCC(N(C)C)CC2)CC1 2572540 FRMXQLNWCXBIEE-UHFFFAOYSA-N 266.473 3.617 0 40 CHAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1 3567274 GKGMIEJEYYCNQT-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(=S)[nH]1 6589245 WCTGRCNCHDDZSI-UHFFFAOYSA-N 258.346 3.613 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)OCC(F)(F)F 32628755 RJPMJKTZLUDUGP-UHFFFAOYSA-N 267.634 3.759 0 40 CHAB in-vitro CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(F)c1 41039536 AMPKLIACPHOENE-OLZOCXBDSA-N 278.371 3.555 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8040971 FYAUAHPOFXJZSQ-SMDDNHRTSA-N 283.799 3.802 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]2CCCC[C@H]21 52897096 RZJBWGQQYACRSM-KBXCAEBGSA-N 296.414 3.892 0 40 CHAB Cc1cccc2sc(NC(=O)C[C@@H]3C=CCC3)nc12 23325384 OSMKZJNWYWVHPD-LLVKDONJSA-N 272.373 3.900 0 40 CHAB CO[C@H](CCc1ccccc1)CC(=O)c1ccccc1 34563425 NORAXXZWLVRTBQ-QGZVFWFLSA-N 268.356 3.907 0 40 CHAB COCc1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106526889 GWAYBAJHMFILBK-KCQAQPDRSA-N 273.376 3.598 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccncc2C)C1(C)C 107294409 HVLRYQRUCQZFFB-GXTWGEPZSA-N 258.365 3.567 0 40 CHAB COc1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C 3383462 ZITGCOLFCCPXBY-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB Cc1ccccc1S(=O)(=O)Oc1ccc2ccccc2c1 2061701 WNKHCDDEMFRUKZ-UHFFFAOYSA-N 298.363 3.916 0 40 CHAB CC(C)CCNc1ncnc2c3ccccc3n(C)c12 2423102 LPOJAXNBTBWFLZ-UHFFFAOYSA-N 268.364 3.580 0 40 CHAB O=C(CCc1ccccc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 12986257 GKRFHUNHBSUFEH-UONOGXRCSA-N 299.336 3.857 0 40 CHAB Cc1cc(NC2CCCCC2)nc(-c2ccccc2O)n1 13122507 RLDIRYHENJYXKS-UHFFFAOYSA-N 283.375 3.902 0 40 CHAB FC(F)(F)c1ccccc1Nc1nnc(S)s1 3888747 JMJNLAOCMSYKAE-UHFFFAOYSA-N 277.296 3.589 0 40 CHAB O=C(NCCSCc1ccco1)c1cccc(Cl)c1 24613772 NKYZGQUGWURSIN-UHFFFAOYSA-N 295.791 3.596 0 40 CHAB CC(=O)c1c(Nc2cccc(Cl)c2)oc(C)cc1=O 4280254 LBPYQIDURSTULP-UHFFFAOYSA-N 277.707 3.548 0 40 CHAB CCc1ccc2oc(-c3cc(NC(C)=O)ccc3O)nc2c1 13724529 OCRBIZZRVMZTGN-UHFFFAOYSA-N 296.326 3.721 0 40 CHAB CCCCCOc1ccc(CSc2ncn[nH]2)cc1 8680609 MYPQOADYCWMTLJ-UHFFFAOYSA-N 277.393 3.666 0 40 CHAB CCCCN1C[C@H](c2nc3ccccc3n2CCC)CC1=O 14095548 GVDPGZAIGGSOMV-CQSZACIVSA-N 299.418 3.562 0 40 CHAB CCc1nc(SCC(C)=O)c2oc3ccccc3c2n1 5477902 YAVXQCLMWPMPKX-UHFFFAOYSA-N 286.356 3.620 0 40 CHAB Cc1ccc(NC(=O)CCCc2ccccc2)c(O)c1 4666614 IIICGRHQLGIDOP-UHFFFAOYSA-N 269.344 3.662 0 40 CHAB CSc1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1 6694078 CQUIURGAHVDUFV-DHZHZOJOSA-N 294.379 3.815 0 40 CHAB COc1ccccc1Oc1ccc(Br)cc1N 14630959 IFZPYVRQPUIXAE-UHFFFAOYSA-N 294.148 3.832 0 40 CHAB OCc1cccc(OCc2ccc(F)cc2Cl)c1 20031788 VHNUFNXEYMSNGY-UHFFFAOYSA-N 266.699 3.550 0 40 CHAB c1cc2c(s1)[C@@H]1CCCC[C@@H]1O[C@@]21CN2CCC1CC2 15024439 YOTNJKHOKZAJDD-UKPHBRMFSA-N 289.444 3.725 0 40 CHAB Cc1ccc(C)c(NC(=O)C[C@H](C(=O)O)c2ccccc2)c1 8705959 QJIYQNJMKHRLCF-HNNXBMFYSA-N 297.354 3.500 0 40 CHAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccncc1 7184875 WYNUEPUCUHZPEU-AWEZNQCLSA-N 290.366 3.655 0 40 CHAB Cc1cc(C(=O)N2CC[C@H](C)Nc3ccccc32)c(C)o1 78875536 IXTMSHDMWQFIQH-NSHDSACASA-N 284.359 3.747 0 40 CHAB CCC[C@H](C)CC(=O)Oc1ccc(OC)c(C(C)=O)c1 96003105 MIHRMPPKUPSINN-NSHDSACASA-N 278.348 3.630 0 40 CHAB CCc1nc(C[S@](=O)Cc2cc(C)cc(C)c2)cs1 83830352 BCBLEMQYBYOZBB-IBGZPJMESA-N 293.457 3.771 0 40 CHAB C[C@H](NCc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 95419221 NHHYBIQVKLMCNC-ZDUSSCGKSA-N 294.398 3.767 0 40 CHAB FC(F)CSc1nnc(-c2c[nH]c3ccccc23)o1 95951097 OWGGXEDLPGGXRE-UHFFFAOYSA-N 281.287 3.575 0 40 CHAB Cc1nc2cc(NC(=O)N(C)c3ccccc3)ccc2n1C 409123819 IUNCWLXJZGBJCW-UHFFFAOYSA-N 294.358 3.550 0 40 CHAB Clc1cccc(-c2cc3c(Cl)nccn3n2)c1 67225255 NGLJJYGXHIZWLD-UHFFFAOYSA-N 264.115 3.703 0 40 CHAB Cc1ccc(-c2cc(C(F)(F)F)nc(N(C)C)n2)cc1 36613195 YYXOYIDMSMCOCC-UHFFFAOYSA-N 281.281 3.537 0 40 CHAB O=C(O)[C@H]1CCc2c1c1ccccc1n2-c1ccccc1 217910184 NRCOMRKTGMEBHA-AWEZNQCLSA-N 277.323 3.745 0 40 CHAB CCc1cc(Cl)c(OC)c(C(=O)NC2CCCCC2)c1 72206535 VAVWQIGDZOVWOU-UHFFFAOYSA-N 295.810 3.974 0 40 CHAB CCN1CCCC[C@@H]1c1cccnc1NC1CCC1 72213914 QIQPXMKILYEWBF-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB CCCN1CCCC[C@H]1c1cnc(Cl)c(C)c1 72217799 ZNHOHOOQWOUIOO-ZDUSSCGKSA-N 252.789 3.980 0 40 CHAB CC(C)CC(=O)Nc1cc(N)ccc1N1CCCC[C@@H]1C 226253633 VHKSFYPAOIHQOW-ZDUSSCGKSA-N 289.423 3.632 0 40 CHAB Nc1cc(-c2csc(N3CCCC3)n2)ccc1Cl 95097237 QEKFBJUSMHPUDI-UHFFFAOYSA-N 279.796 3.646 0 40 CHAB Nc1ccccc1OCCC(F)(F)C(F)(F)C(F)F 95094040 GFGDOPRITJOKIX-UHFFFAOYSA-N 287.203 3.573 0 40 CHAB CC/C=C(\C)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 96406334 VNSKFHNBTNWUQS-GSXXRBPTSA-N 299.823 3.513 0 40 CHAB O=C(Cc1ccsc1)N(CCc1cccs1)C1CC1 96120305 IIWJWLADQUVWIQ-UHFFFAOYSA-N 291.441 3.586 0 40 CHAB COc1ccc(/C=C/C(=O)Oc2cccc(C)c2)c(OC)c1 147493 QJINNZKQLJXEFH-CSKARUKUSA-N 298.338 3.631 0 40 CHAB CC(C)(C)[C@@H](O)[C@@H](Oc1ccc(Cl)cc1)n1ccnc1 5114324 JRGUJQIBKGUMHR-UONOGXRCSA-N 294.782 3.521 0 40 CHAB Cc1cc(NC(=O)c2cc(C3CC3)ncn2)ccc1Cl 1888863873 QZGXSCZOTDATGJ-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2Cl)C1 40069704 JOUIEIACLFJSAZ-TZMCWYRMSA-N 279.811 3.968 0 40 CHAB Cc1cccc(NC(=O)N(Cc2ccco2)C2CC2)c1 32754971 BOHHSJZPDIDLLG-UHFFFAOYSA-N 270.332 3.785 0 40 CHAB CC(C)(C)C(=O)N(Cc1ccsc1)Cc1ccco1 42382001 XKXRFEOHXZUCOE-UHFFFAOYSA-N 277.389 3.916 0 40 CHAB Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1C 29948 YTQFPSJHEQWCIE-UHFFFAOYSA-N 253.345 3.576 0 40 CHAB CCOc1ccccc1C(=O)NC1CCCCCC1 30275 LSUJMQSZCKHFQH-UHFFFAOYSA-N 261.365 3.538 0 40 CHAB COCc1ccccc1NC(=O)N(C)C1CCC(C)CC1 46032050 FDWXHBMMWWXJPA-UHFFFAOYSA-N 290.407 3.875 0 40 CHAB O=C(OCc1cccc(F)c1)c1c[nH]c2ccccc12 7508783 YQBBKUOMMLIMTE-UHFFFAOYSA-N 269.275 3.664 0 40 CHAB CCN(CC)CC[C@H](C)[C@H](Cc1cccs1)OC(C)=O 1671240 YBCGCYGNOGTANZ-BBRMVZONSA-N 297.464 3.590 0 40 CHAB c1ccc([C@H](CCN2CCCC2)c2ccccn2)cc1 2045640 RVICOCMXZVHRHL-KRWDZBQOSA-N 266.388 3.699 0 40 CHAB in-vitro O=C1c2ccc(Cl)cc2C(=O)N1CCC1=CCCCC1 4131935 XDWARUYUJOAPGH-UHFFFAOYSA-N 289.762 3.827 0 40 CHAB Fc1ccc(NC(=S)NCc2ccccc2)cc1Cl 7557978 RJGODAXQPKDDEL-UHFFFAOYSA-N 294.782 3.966 0 40 CHAB C[C@@H](NC(=O)COc1ccccc1)c1ccc(Cl)cc1 7644702 ACZQFVBCXIBYIS-GFCCVEGCSA-N 289.762 3.596 0 40 CHAB Cc1ccc(S(=O)(=O)Oc2ccc(F)cc2)c(C)c1C 2696958 AVDAFKJSLJKEQI-UHFFFAOYSA-N 294.347 3.519 0 40 CHAB O[C@@H]1[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 100672325 USAKVYHRWZXKIZ-LJDSDSDDSA-N 293.410 3.849 0 40 CHAB CCOC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 8700418 IVEMKPKJNOWXSK-UHFFFAOYSA-N 299.157 3.664 0 40 CHAB Cc1ccc(Cl)c2sc(NCCCN(C)C)nc12 56900944 RJBOKSJJDFGIGM-UHFFFAOYSA-N 283.828 3.622 0 40 CHAB C[C@@H]1N(O)[C@@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C 510373 QAFLQITYULGKSZ-WRWORJQWSA-N 291.178 3.555 0 40 CHAB Nc1ccc2ccn(Cc3ccccc3Cl)c2c1 37222389 VCIQUMNSCFZUAN-UHFFFAOYSA-N 256.736 3.925 0 40 CHAB COc1ccccc1CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 103834655 YRSIUGKENCCNKT-QGPMSJSTSA-N 273.420 4.000 0 40 CHAB Cc1cc(OCC[C@@H]2CCCCN2)ccc1Cl 20221529 BEKPEIQZFXKLLZ-LBPRGKRZSA-N 253.773 3.559 0 40 CHAB Clc1[nH]c(Cl)c2c1CN(Cc1ccccc1)C2 26461032 KHUCQXIMICISHA-UHFFFAOYSA-N 267.159 3.837 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccccc1Cl 13950718 ARBMKLCIWLVNOQ-PHIMTYICSA-N 251.757 3.743 0 40 CHAB CCOc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1 14183515 LCNANWGGBILUJP-UHFFFAOYSA-N 273.332 3.856 0 40 CHAB CCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4743399 IOPUNRWNXNEFHN-UHFFFAOYSA-N 299.414 3.784 0 40 CHAB Cc1ccsc1[C@H](C)NCc1ccc([S@](C)=O)cc1 90221400 CADFGZXNISJCCV-HXPMCKFVSA-N 293.457 3.645 0 40 CHAB Cc1cccnc1NC(=O)Cc1coc2c(C)c(C)ccc12 18231243 SNTOJPXTFFEBIM-UHFFFAOYSA-N 294.354 3.934 0 40 CHAB Cc1ncsc1C(=O)Nc1c(C)noc1-c1ccccc1 97115134 SDUFASUSQCBHJM-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CCOC(=O)c1sc2nc(Cl)cc(C)c2c1C 9690936 IGYCPQFKFIWYPV-UHFFFAOYSA-N 269.753 3.743 0 40 CHAB CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)[C@@H](C)CC)c1 95967326 ATOQZLBCFDQYGP-SOUVJXGZSA-N 290.451 3.739 0 40 CHAB CCOC(=O)c1cnc(-c2ccccc2Cl)s1 65342549 SCSUUWYYHRMZIJ-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB CC(C)OP(=O)(OC(C)C)C(=O)C(C)(C)C 3163792 PIDCBPYHPKPTGW-UHFFFAOYSA-N 250.275 3.602 0 40 CHAB biogenic Cc1ccccc1C(=O)c1cccc(Br)c1 37464077 YALAPASTOMTKIH-UHFFFAOYSA-N 275.145 3.989 0 40 CHAB CCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72229831 YXSZGKKYBSOMPJ-MRXNPFEDSA-N 289.762 3.770 0 40 CHAB Cc1cccnc1[C@H](NC(=O)CSC(C)(C)C)C(C)C 79358133 NHOFELRZMCEZRZ-CQSZACIVSA-N 294.464 3.735 0 40 CHAB CCN1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 72216059 XUJVSWOCXJNOSD-INIZCTEOSA-N 273.424 3.619 0 40 CHAB c1ccc(-c2ccc(-c3nn4cnnc4s3)cc2)cc1 73638571 IWBOUCKIGTZOKD-UHFFFAOYSA-N 278.340 3.520 0 40 CHAB CC[C@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 42124331 XIILEDLBQPLDFK-KBPBESRZSA-N 277.408 3.800 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254215 KUSMIYMNDBYMBV-GFCCVEGCSA-N 293.370 3.758 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)C(C)C)cc1Cl 225232230 YROFPYYAXRPTQF-JTQLQIEISA-N 269.772 3.513 0 40 CHAB CCCCOc1cccc([C@@H](C)NC[C@@H]2CCCO2)c1 225167314 UGDAUCKIQJGURM-PBHICJAKSA-N 277.408 3.695 0 40 CHAB Cc1cccc(CO)c1OCc1ccccc1Cl 95095176 PBWLKHYIUJLZER-UHFFFAOYSA-N 262.736 3.720 0 40 CHAB Cc1csc(=Nc2ccccc2)n1Cc1ccco1 254308113 ILJNOHUGKWDDCJ-UHFFFAOYSA-N 270.357 3.732 0 40 CHAB CC(C)(C)C(=O)N1CCC(Cc2cccnc2Cl)CC1 257277725 NZDFCWBSRADKRH-UHFFFAOYSA-N 294.826 3.562 0 40 CHAB O=C(OCc1ccccc1Cl)c1ccccc1F 1948555 MYSXMRBEQWIUJR-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB Oc1ccccc1OCCCC(F)(F)C(F)(F)F 1083811121 YSGCZCDFUQNHFR-UHFFFAOYSA-N 270.197 3.749 0 40 CHAB O=Cc1cn(Cc2cc(F)cc(F)c2)c2ccccc12 163514 DCGPWKQMOHZUIE-UHFFFAOYSA-N 271.266 3.780 0 40 CHAB CCCCN(CCCC)C(=O)C[C@@](C)(O)c1ccccc1 5551609 GAJMIGAFBWGHBS-GOSISDBHSA-N 291.435 3.713 0 40 CHAB CCOC(=O)/C(=C\c1cccc(Cl)c1)N(CC)CC 5807514 QJQWJWBCJJHSDE-SDNWHVSQSA-N 281.783 3.586 0 40 CHAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)C(C)C 226352247 AABOFGHSRVXECR-UHFFFAOYSA-N 287.315 3.548 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@@H]1C 40092996 GYYQKCJCPPZFJX-JTQLQIEISA-N 266.410 3.590 0 40 CHAB Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1N 21501352 VSWAIMPCUGMNMV-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB CCOC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 609551874 RKQDQOCHRMBTSS-DTWKUNHWSA-N 259.132 3.660 0 40 CHAB O=c1cc(CSc2ccccc2)c2ccc(O)cc2o1 127661 ARIWKXMOXGLFME-UHFFFAOYSA-N 284.336 3.791 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)Nc1c[nH]c2ccccc12 15401519 ZJJQEGRGFHAJNY-TXEJJXNPSA-N 271.364 3.963 0 40 CHAB CCC[C@H](C)NC(=O)Nc1cccc2ncccc12 40023789 ISLXLFNRKYKOCM-NSHDSACASA-N 257.337 3.545 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)OCO2 30180 HIXISAKRKPZGJK-UHFFFAOYSA-N 283.327 3.538 0 40 CHAB CC[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 64834 HBYNPZLVZUFNDQ-AWEZNQCLSA-N 267.372 3.733 0 40 CHAB CC(C)CC(=O)N(Cc1ccccc1)Cc1ccco1 257182 KJQPMZOPGKQACV-UHFFFAOYSA-N 271.360 3.855 0 40 CHAB CC1(C)[C@]2(C(=O)Nc3ccccc3F)CC[C@@]1(C)C(=O)C2 309067 CBGXENVQPGIOEM-DLBZAZTESA-N 289.350 3.550 0 40 CHAB O=C(O)[C@H]1Sc2ccccc2Oc2ccccc21 347503 ANHXGSCQPJHOKF-ZDUSSCGKSA-N 258.298 3.710 0 40 CHAB CCOc1ccc2nc(NC(=O)[C@H](C)CC)sc2c1 364507 SBYMDNRUQAFDQT-SECBINFHSA-N 278.377 3.680 0 40 CHAB O=C(CN1CCCCC1)Nc1ccccc1-c1ccccc1 411752 IUMPKKHXRMESGY-UHFFFAOYSA-N 294.398 3.778 0 40 CHAB Cc1ccc(Cl)c(C(O)(C(F)(F)F)C(F)(F)F)c1 1559256 XBKWFRKPDQFGLR-UHFFFAOYSA-N 292.606 3.961 0 40 CHAB CC(=O)NCC[C@H]1[C@H](c2c(C)n(C)c3ccccc23)C1(C)C 2109182 BGICSBMBQSLWQY-MAUKXSAKSA-N 298.430 3.753 0 40 CHAB biogenic Cc1csc(SCCCCCCC(=O)O)n1 2473734 JHUHIEQJCGXEMA-UHFFFAOYSA-N 259.396 3.579 0 40 CHAB Cc1cccc(C(=O)c2c(N)sc3c2CC[C@@H](C)C3)c1 3338709 LVFUJBNKVVMXQX-LLVKDONJSA-N 285.412 3.995 0 40 CHAB aggregator CSc1ncccc1C(=O)Nc1ccc(C)cc1C 3561776 SDARTFQVJQVVLZ-UHFFFAOYSA-N 272.373 3.673 0 40 CHAB O=C(OCC(=O)c1ccccc1F)c1cc2ccccc2o1 4332631 LGIJEJKXYMRWNO-UHFFFAOYSA-N 298.269 3.612 0 40 CHAB CN(Cc1ccccc1)C1CCN(C2CCCC2)CC1 4703470 AOLQCNPPAUFXDZ-UHFFFAOYSA-N 272.436 3.525 0 40 CHAB CCC(CC)c1cc(C(=O)O)c2cccc(OC)c2n1 5454870 PFOOBEFMLKNWRN-UHFFFAOYSA-N 273.332 3.845 0 40 CHAB S=C(Nc1ccccc1Cc1ccccc1)NC1CC1 7518121 WGMXSDDDDMWNKK-UHFFFAOYSA-N 282.412 3.726 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1F 7750869 QRSUVWWRVRCEDE-LBPRGKRZSA-N 257.308 3.625 0 40 CHAB C[C@@H]1Cc2ccccc2N1Cc1nc2ccccc2o1 8119046 KFJUAKRMSBLONH-GFCCVEGCSA-N 264.328 3.779 0 40 CHAB Cc1nnc(COc2ccc(Oc3ccccc3)cc2)o1 8395498 MGTRXZGUJJUJQR-UHFFFAOYSA-N 282.299 3.749 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1ccc(C)c(F)c1 9690999 MTYSWTNYHIIGKL-UHFFFAOYSA-N 271.291 3.589 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccsc1 12571851 DGHYXXKOLQNCSZ-WZUFQYTHSA-N 261.733 3.894 0 40 CHAB O=C(NCCCc1ccc(F)cc1)c1cccc(Cl)c1 13674131 VEORIFVZBZQVHS-UHFFFAOYSA-N 291.753 3.842 0 40 CHAB O=C(c1ccc(F)cc1)[C@@H]1O[C@H]1c1ccccc1Cl 16125542 PXRNXFWVULYKSD-GJZGRUSLSA-N 276.694 3.802 0 40 CHAB O=C(Nc1ccc(F)cc1)NC1CCCCCC1 18178896 QJQWLVGFCLIVOI-UHFFFAOYSA-N 250.317 3.670 0 40 CHAB CN1Cc2cccc3c2[C@@H](Cc2ccccc2S3)C1 19802482 BTMBDRIKPNQIGA-AWEZNQCLSA-N 267.397 3.923 0 40 CHAB CCC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 25024266 GEZOJTMEGHFCRU-KRWDZBQOSA-N 253.345 3.611 0 40 CHAB Cc1cc(C)c(NC(=O)CC[C@H]2CCCO2)c(Cl)c1 31877038 IZBYVNJWEXOOFC-GFCCVEGCSA-N 281.783 3.855 0 40 CHAB C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1cccs1 36074541 GOCBONCDSYZMFE-GFCCVEGCSA-N 273.401 3.903 0 40 CHAB CC(C)Cn1nccc1NC(=O)c1ccc(F)cc1Cl 36394018 AIVNFEJTYOXBEI-UHFFFAOYSA-N 295.745 3.584 0 40 CHAB NCc1ccccc1-c1ccc(C(F)(F)F)cc1 38070894 HTLHYFWJFZQQIT-UHFFFAOYSA-N 251.251 3.831 0 40 CHAB Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)c(Cl)c1 41485766 QHZWTPJIWKVOQR-UHFFFAOYSA-N 296.079 3.985 0 40 CHAB CC[C@H](C)c1cc(Cl)ccc1OC[C@H]1CCNC1 42771131 QZAHRHHMKIMSBB-RYUDHWBXSA-N 267.800 3.842 0 40 CHAB Clc1cc(Cl)c(OC[C@@H]2CCNC2)cc1Cl 42772332 YKMNRGDEMOIOLL-SSDOTTSWSA-N 280.582 3.635 0 40 CHAB C(=C/c1nc(-c2ccccc2)cs1)\c1csnn1 44023816 INTZQKLNVOXOGX-VOTSOKGWSA-N 271.370 3.832 0 40 CHAB CC(C)(C)OC(=O)N[C@H](CC1CCCCCCC1)C(=O)O 44294826 YCDKRFRIIKNPNR-CYBMUJFWSA-N 299.411 3.715 0 40 CHAB CC[C@H]1CCCCN1Cc1nnc(-c2ccccc2)o1 48343678 DGKZDNSILYXDDX-AWEZNQCLSA-N 271.364 3.501 0 40 CHAB CC(C)(C)c1cnc(CN2CCC[C@@H]2c2ccc[nH]2)o1 58407699 XFGFPZMWGGVEHF-CYBMUJFWSA-N 273.380 3.637 0 40 CHAB C[C@@H](CNC(=O)CCc1ccc(F)cc1)c1ccccc1 60883006 DXAJZRNYOKFOBN-AWEZNQCLSA-N 285.362 3.678 0 40 CHAB CC1N=C(c2ccccc2)SC(c2ccccc2)=N1 70631873 AULCTINBFVNWJU-UHFFFAOYSA-N 266.369 3.973 0 40 CHAB CSc1cccc(C(=O)c2cc(F)ccc2F)c1 71790493 YRLPZUGLHJRHFY-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB in-vitro CCOC(=O)/C=C/c1cc(Cl)ccc1OC(C)C 72209047 JZVUJIIUFOKPTN-VMPITWQZSA-N 268.740 3.704 0 40 CHAB CC(C)C[C@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72404456 ADHRDRNWPAVRSK-NSHDSACASA-N 273.336 3.646 0 40 CHAB CN(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2n1C 72405532 LBSUHIQBXOBLSB-UHFFFAOYSA-N 296.345 3.590 0 40 CHAB CCN(C(=O)c1ccc(C)cc1)c1cccc(C)c1 73631020 HGDBZUHIROXQII-UHFFFAOYSA-N 253.345 3.970 0 40 CHAB Fc1cccc(Cl)c1CNCCNc1ccccc1 75108026 VITLRRMJZJUZQS-UHFFFAOYSA-N 278.758 3.681 0 40 CHAB Cc1ccc(NC(=O)c2cnc(C(C)C)nc2C)cc1C 75437010 IVBQQVTVHZRXJQ-UHFFFAOYSA-N 283.375 3.778 0 40 CHAB Cc1csc(C2(NCc3c(C)noc3C)CCCC2)n1 81596403 XUKIWNFGVDMUPU-UHFFFAOYSA-N 291.420 3.615 0 40 CHAB c1ccc(N(Cc2nc(-c3ccoc3)no2)CC2CC2)cc1 84139325 QEWNXCGXFZGAJN-UHFFFAOYSA-N 295.342 3.746 0 40 CHAB C[C@H](NCCc1nnc(-c2ccccc2)o1)c1cccs1 90659785 XWOHDSHRTXEVPC-LBPRGKRZSA-N 299.399 3.691 0 40 CHAB FC(F)(F)Oc1cnc(Cl)cc1C(F)(F)F 91252410 ZAQILQGBYIRNMJ-UHFFFAOYSA-N 265.540 3.652 0 40 CHAB Clc1ccc(-c2cc(-c3ccncc3)[nH]n2)cc1 95094762 REDITOMPDYZCGZ-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB Cc1noc(C)c1CN1CCCCC[C@H]1c1ccncc1 95350325 DKEAZMKTKRORNR-KRWDZBQOSA-N 285.391 3.804 0 40 CHAB CN(C)c1ccc(C(F)(F)F)cc1Br 95619244 ZCPXZVOLWLUYAH-UHFFFAOYSA-N 268.076 3.534 0 40 CHAB CCOCC1(c2ccc(Br)cc2)CC1 96515633 BZDIFXSYFFGIQQ-UHFFFAOYSA-N 255.155 3.517 0 40 CHAB Cc1ccc2c(c1)N[C@@H](c1cc(F)cc(F)c1)CO2 96531304 BSJYISLHAOETQU-CQSZACIVSA-N 261.271 3.819 0 40 CHAB CCOc1ncccc1NCc1coc(-c2ccccc2)n1 97020294 UZSBPQOFTZGPTQ-UHFFFAOYSA-N 295.342 3.747 0 40 CHAB Cc1noc(C)c1CNc1c(F)cccc1NC(C)C 97048098 OSPWKOZBXBNXBD-UHFFFAOYSA-N 277.343 3.863 0 40 CHAB Cc1ccc(-c2nc(-c3cccc(N)c3C)no2)cc1 140311946 CJMQRHVRHJPEFX-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CC(C)Oc1ccc(CCCNC(=O)C(C)(C)C)cc1 223284610 OZSNKRKLMAQQIF-UHFFFAOYSA-N 277.408 3.569 0 40 CHAB Cc1cccc(C[C@H](OCc2ccccc2)C(=O)O)c1C 225024685 GIKBNIAJTGDEMG-KRWDZBQOSA-N 284.355 3.516 0 40 CHAB Cc1ccccc1O[C@@H](Cc1ccccc1Cl)C(=O)O 225055515 WRKUCSMSLCYMDL-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Nc1cccc(-c2cnc(-c3ccc(F)cc3)o2)c1 226102859 BLAQFBORORAMDP-UHFFFAOYSA-N 254.264 3.730 0 40 CHAB O=C(/C=C/c1ccoc1)NCCCc1cc2ccccc2o1 390832198 XYPUYUDGJASYCP-BQYQJAHWSA-N 295.338 3.788 0 40 CHAB CC[C@@H](C(=O)c1ccc2c(c1)OCO2)c1ccccc1 575358544 QCUISJIERJZBCB-CQSZACIVSA-N 268.312 3.792 0 40 CHAB COc1cc(F)c(C(=O)CCc2ccccc2)cc1F 575361711 IRZPQXGMBOHGLK-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB FCc1cc(C(F)(F)F)ccc1Br 1504206521 PWEGSINVMVNTNG-UHFFFAOYSA-N 257.024 3.937 0 40 CHAB Clc1cnc(NCC(c2ccco2)c2ccco2)nc1 1775970793 RFTNCSPYMMYNQG-UHFFFAOYSA-N 289.722 3.560 0 40 CHAB COc1ccc([C@H](N)c2ccccc2)cc1Br 20522145 LFKWMXRUUQRHBU-CQSZACIVSA-N 292.176 3.506 0 40 CHAB in-vitro C1CC2(CC3(C1)SCCS3)SCCS2 1563496 GCTYJMNPSOMQOJ-UHFFFAOYSA-N 264.506 3.913 0 40 CHAB O=C(O)c1ccccc1Nc1ccc(Br)cc1 1606178 OWWOJXUVGYXFIJ-UHFFFAOYSA-N 292.132 3.891 0 40 CHAB CCCOC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1 4036828 JMIUEKWIOAEENT-UHFFFAOYSA-N 299.326 3.864 0 40 CHAB CCC[C@H]1O[C@@H](c2ccc3c(c2)OCO3)OC[C@H]1CC 4682987 UKWMCOIACMBUOZ-KFNAQCHYSA-N 278.348 3.656 0 40 CHAB O=C1Nc2ccccc2[C@@H]1Cc1c(F)cccc1Cl 101657241 KWIPHIPGIZMFKE-JTQLQIEISA-N 275.710 3.758 0 40 CHAB CCCc1nn2cc(-c3ccc(F)cc3)nc2s1 6748225 YTUBLBUOWIKNKK-UHFFFAOYSA-N 261.325 3.549 0 40 CHAB CCCCc1nn2cc(-c3ccccc3)nc2s1 6748228 QGTDJGVOBUIFPI-UHFFFAOYSA-N 257.362 3.800 0 40 CHAB Cc1cnc(NC(=O)CCC2CCCCC2)s1 8907054 RFMDOXDMBYLVMJ-UHFFFAOYSA-N 252.383 3.751 0 40 CHAB CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)no1 27925304 IOXHZFBULFRSQS-QWHCGFSZSA-N 284.359 3.714 0 40 CHAB Nc1ccc2nc(Nc3nc4ccccc4o3)sc2c1 57352538 AWCJFEBMBJSWJK-UHFFFAOYSA-N 282.328 3.763 0 40 CHAB COc1ccc([C@H](CN(C)C)C2CCCCC2)cc1 22056027 RELISZWQPGCXDE-QGZVFWFLSA-N 261.409 3.921 0 40 CHAB in-vitro O=C(CCn1cnc2ccccc21)Nc1ccccc1Cl 12535698 KNAHNKWVJCHAEU-UHFFFAOYSA-N 299.761 3.719 0 40 CHAB CCCSCC(=O)Nc1ccccc1C(F)(F)F 1910760 QZUCQSAXIHUAQD-UHFFFAOYSA-N 277.311 3.787 0 40 CHAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)O)cc1 3229374 ZWBDYHJROOWSPZ-NTUHNPAUSA-N 299.713 3.531 0 40 CHAB Cc1ccc(NC(=O)CC(=O)c2ccccc2)cc1C 3267324 KFGKMEPSLNWSIX-UHFFFAOYSA-N 267.328 3.515 0 40 CHAB COc1ccc(-c2nc3n(c2C)-c2ccccc2C3)cc1 27753693 HSEGVEBIEYIIRU-UHFFFAOYSA-N 276.339 3.761 0 40 CHAB C[C@@H](NC(=O)N(C)Cc1ccco1)c1ccc(Cl)s1 44970084 MMBUCKHRNFOADO-SECBINFHSA-N 298.795 3.897 0 40 CHAB CC[C@@H](C)NC(=O)CSc1ccc2ccccc2c1 3382410 YOPKTMDVAJWFHO-GFCCVEGCSA-N 273.401 3.847 0 40 CHAB Cc1cc(Br)ccc1NC(=O)c1occc1C 12981490 NHLOQHZLVAFPQN-UHFFFAOYSA-N 294.148 3.911 0 40 CHAB Clc1ccsc1-c1ccnc(-n2cccc2)n1 4088633 CVJRUNFFQIGCGF-UHFFFAOYSA-N 261.737 3.649 0 40 CHAB CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 13745654 DGVMMHFVJFILKI-RWMBFGLXSA-N 254.418 3.689 0 40 CHAB CCn1cnc2cc(NC(=O)/C=C/c3ccccc3)ccc21 5451805 KNSQEEYCFKYJPH-DHZHZOJOSA-N 291.354 3.708 0 40 CHAB Cc1sc2nc(Nc3ccccc3)n3ncnc3c2c1C 9060848 PTJDHBGPKYFZRA-UHFFFAOYSA-N 295.371 3.699 0 40 CHAB COc1ccc(C)cc1CC(=O)Nc1ccc(C)cc1F 15624501 PCPLMEDMZQTWJV-UHFFFAOYSA-N 287.334 3.632 0 40 CHAB CC(C)=CCSc1nnc2c(n1)[nH]c1ccccc12 7636121 VAWZJEPORQLTBV-UHFFFAOYSA-N 270.361 3.564 0 40 CHAB CCCOc1ccccc1NC(=O)c1cc(C)oc1C 9495814 AMTLLBRIRUJZRB-UHFFFAOYSA-N 273.332 3.938 0 40 CHAB COc1ccc2cc([C@@H]3SCC(=O)N3C3CC3)ccc2c1 19926920 PJORIDJOWNBNQY-KRWDZBQOSA-N 299.395 3.585 0 40 CHAB CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(Cl)nc1)C1CC1 78509669 RSNOLSACENALNP-WDEREUQCSA-N 280.799 3.774 0 40 CHAB CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 95465903 WBVNCVZTPYDDCU-CQSZACIVSA-N 287.325 3.562 0 40 CHAB C[C@H](NC1CCC(N2CCCCC2)CC1)c1ccncc1 95982628 WVSFWYLIEKSZHG-ZLPCBKJTSA-N 287.451 3.529 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1cccs1 32865224 QQAFJIYVUOZJJB-QWHCGFSZSA-N 261.390 3.768 0 40 CHAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(C)c2C)c1 30860364 USLLTXRGVQGSRD-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB COc1cccc(C[S@](=O)[C@H](C)c2ccccc2F)c1 78556249 GHPZPTGGKDRUBW-MPBGBICISA-N 292.375 3.844 0 40 CHAB O=C(O)[C@@H]1C[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 70453301 NMCRUXBLROFGNU-GHMZBOCLSA-N 262.692 3.788 0 40 CHAB CCO[C@H](C)c1nccn1Cc1ncc(-c2ccccc2)o1 89521546 HHSFCLXJOVKYCN-CYBMUJFWSA-N 297.358 3.684 0 40 CHAB CCOC(=O)c1cc(NC(=O)C(C)(C)C)ccc1Cl 225133718 ODEAOUXDVXZTID-UHFFFAOYSA-N 283.755 3.501 0 40 CHAB CCCCOc1ccc(NC(=O)C(C)(C)OCC)cc1 225646682 UNZCKWSVBVQUOZ-UHFFFAOYSA-N 279.380 3.619 0 40 CHAB COc1cccc(Cc2nc3cc(C)ccc3o2)c1 199744452 JSNRVRIRMYOFJQ-UHFFFAOYSA-N 253.301 3.736 0 40 CHAB COc1ccc2oc(-c3ccc4nc(N)sc4c3)nc2c1 40542419 JWAPFPAHXBMIRC-UHFFFAOYSA-N 297.339 3.695 0 40 CHAB CC[C@@H](C)n1c(CO)ccc1Cc1ccc(C)cc1 226029486 GCUWVVNPDQREMH-CQSZACIVSA-N 257.377 3.851 0 40 CHAB CC[C@H](C)n1c([C@H](C)N)nc2cc(Cl)ccc21 40408278 UTULRFIGBDTCCG-IUCAKERBSA-N 251.761 3.680 0 40 CHAB O=C(Nc1cccc2ccccc12)c1cnc(C2CC2)nc1 222594039 CMRPBYYWKSFWMI-UHFFFAOYSA-N 289.338 3.760 0 40 CHAB Cc1c(C)n([C@H]2OC(=O)c3ccccc32)c2ccccc12 96675120 XVZDDRYMDQYUFQ-KRWDZBQOSA-N 277.323 3.975 0 40 CHAB CCCn1nccc1-c1cccc([C@@H]2CCCN2C(C)C)n1 257333897 YDOXMKLIDPCZCG-KRWDZBQOSA-N 298.434 3.900 0 40 CHAB C[C@@H](CNC(=O)CCC1CCCC1)c1ccccc1 46633563 RQGXQTXPLLQTOF-AWEZNQCLSA-N 259.393 3.877 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]21C 17013885 CCCIJQPRIXGQOE-MKXGPGLRSA-N 284.399 3.719 0 40 CHAB Cc1ccc(NCc2n[nH]nc2-c2ccccc2)c(C)c1 5634822 BEXHFWQOPCLIRU-UHFFFAOYSA-N 278.359 3.701 0 40 CHAB COc1ccc(/C(=C/[S@@](C)=O)c2cccs2)cc1 5639943 XEUWRDIQJDFOCT-GFBZKKKVSA-N 278.398 3.524 0 40 CHAB CCCCCC(=O)Nc1cc(C(=O)O)ccc1Cl 13425988 LAMKQXDHPLEFKI-UHFFFAOYSA-N 269.728 3.557 0 40 CHAB CCc1ccccc1NC(=O)/C=C\c1ccccc1 17021659 UILYDUZXFHEGQP-SEYXRHQNSA-N 251.329 3.901 0 40 CHAB O=C(O)CC[C@H]1CCCCCCCCCCC1=O 2556213 ZWJHEHCSBAMCBQ-CYBMUJFWSA-N 254.370 3.951 0 40 CHAB CN(Cc1ccc(Cl)cc1)Cc1nc(C(C)(C)C)no1 32755412 BUGKYKRECFNYEW-UHFFFAOYSA-N 293.798 3.653 0 40 CHAB CC(C)Oc1cc(C(=O)O)ccc1OCc1ccccc1 584652045 RBBSYZXPKDREGZ-UHFFFAOYSA-N 286.327 3.751 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 29961 QSXMXGTYDKFLCS-CYBMUJFWSA-N 269.344 3.576 0 40 CHAB CCOc1ccc(NC(=S)NC(C)(C)CC)cc1 99131 SQKXPGFYBZLRFE-UHFFFAOYSA-N 266.410 3.560 0 40 CHAB CC1(C)COC(CCCCC(=O)c2ccccc2)OC1 2518034 JOCQUPARSLWUJU-UHFFFAOYSA-N 276.376 3.829 0 40 CHAB O=C(O)CCCCCC(=O)c1cccc(C(F)(F)F)c1 2579912 WLBWMKYXVVNJTJ-UHFFFAOYSA-N 288.265 3.923 0 40 CHAB CC1(C)COC2(CCC(C3CCC(=O)CC3)CC2)OC1 2583431 CJNIJJHRKXFEIK-UHFFFAOYSA-N 280.408 3.705 0 40 CHAB Cc1ccc(SCc2ccccc2Cl)nn1 1693150 GOGQYYRSZKRPKF-UHFFFAOYSA-N 250.754 3.731 0 40 CHAB CCN(CC)C(=O)O[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 4743511 IAXGAHCTCBLTDE-SLEUVZQESA-N 253.386 3.680 0 40 CHAB C[C@]12CC[C@H]3[C@@H](C=C[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O 6500201 XGWRPPUOKMMEOO-MFXFBURESA-N 290.447 3.527 0 40 CHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(C)c1 8049082 QDICFKCOUDIAGG-HNNXBMFYSA-N 287.334 3.930 0 40 CHAB CCC(C)(C)C(=O)Nc1ccccc1S[C@H](C)C(=O)O 8732916 UNVCTWVDFAYGAJ-SNVBAGLBSA-N 295.404 3.627 0 40 CHAB COc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 482776 XZEHPPDFUZFRGO-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB O=C(O)c1ccc(SCc2nc3ccccc3[nH]2)cc1 37429614 DQUZNEKBMAVVOI-UHFFFAOYSA-N 284.340 3.553 0 40 CHAB in-vitro C[C@@H](c1nc(C(C)(C)C)no1)N1CCc2sccc2C1 23904225 VUGBSJDDBDHPDS-JTQLQIEISA-N 291.420 3.548 0 40 CHAB CC(C)(C)C(=O)Nc1ccc(N2CCCCC2)cc1 1393170 ZKDYLEZLYAPUGU-UHFFFAOYSA-N 260.381 3.662 0 40 CHAB Clc1ccc(-c2nc3c4ccsc4ncn3n2)cc1 1390703 LMTXFHJWUXNTLB-UHFFFAOYSA-N 286.747 3.659 0 40 CHAB COc1ccccc1C(=O)CSc1nc2ccccc2o1 3266395 JWPRIUITYWVAMI-UHFFFAOYSA-N 299.351 3.811 0 40 CHAB O=C1NC(=O)/C(=C/c2ccccc2Oc2ccccc2)S1 1406034 HJDHEMGPYLPENJ-UVTDQMKNSA-N 297.335 3.803 0 40 CHAB C[C@@H](Cc1ccco1)NCc1cccc2cccnc12 35254567 XHUKWXHNXCKBQS-ZDUSSCGKSA-N 266.344 3.549 0 40 CHAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccc(O)cc1 3278591 GLTVFKSFLOLFLH-UHFFFAOYSA-N 296.244 3.768 0 40 CHAB Cc1ccc(C[S@](=O)Cc2ccc(F)cc2)cc1 58225231 RKVVKTGJFYVOOI-GOSISDBHSA-N 262.349 3.583 0 40 CHAB O=C(CNC1=NCCCCC1)c1ccc(Cl)c(Cl)c1 26506882 HVSPCVKENLRBQO-UHFFFAOYSA-N 299.201 3.738 0 40 CHAB CC(=O)Nc1ccc(NC(=O)CC(C)(C)C)cc1Cl 12736257 PHBDUZGJSOHANE-UHFFFAOYSA-N 282.771 3.673 0 40 CHAB COc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1Cl 3433255 CPYLUQVAKZRUPV-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1cccc(Br)c1 4241592 ZBHZLTXAVLDNTD-UHFFFAOYSA-N 297.098 3.958 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)Cn2ccc3ccccc32)[C@@H]1C 4676654 IBVFHTJJEKWKLG-FMKPAKJESA-N 284.403 3.582 0 40 CHAB Clc1ccc(O[C@H]2CCCNC2)c2ccccc12 14631786 AMVSVXLRTIMQLA-NSHDSACASA-N 261.752 3.624 0 40 CHAB Cc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 6969084 KJEMYSAYSFOYHE-UHFFFAOYSA-N 276.405 3.606 0 40 CHAB CC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C 72291568 PEQDDWRJZPMYEC-UHFFFAOYSA-N 297.333 3.646 0 40 CHAB COc1ccc([C@@H](C)NCc2ncc(C(C)C)o2)cc1F 97033038 MBAFPVUSFWHOBQ-LLVKDONJSA-N 292.354 3.797 0 40 CHAB CC[C@@H](NC(=O)c1cc(C)no1)c1ccc(Cl)cc1 21557659 ZDQDJKCXUKIVDK-GFCCVEGCSA-N 278.739 3.518 0 40 CHAB Cc1cccc(OC(=O)c2ccc3oc(C)nc3c2)c1 408731105 KOOGSMMHIGNNON-UHFFFAOYSA-N 267.284 3.664 0 40 CHAB CC(C)CN1C(=O)/C(=C\c2ccco2)c2ccccc21 409114212 GLBVXKLWTQRUGD-GDNBJRDFSA-N 267.328 3.823 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 61946836 CBMYJHIOYJEBSB-ZYPGRWQASA-N 292.463 3.751 0 40 CHAB CCCCCNC(=O)Nc1ccc(F)cc1Cl 32862278 IXAJNTCJAOMGCL-UHFFFAOYSA-N 258.724 3.791 0 40 CHAB Nc1nc(-c2cccs2)cc(-c2cccs2)n1 38314158 JKNVWCCCGBJZNV-UHFFFAOYSA-N 259.359 3.516 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4C=C[C@@H]3[C@@H]1CC[C@@H]2O 4655203 VVLCELUSWGWMSW-FPSMNIFISA-N 270.372 3.690 0 40 CHAB biogenic Cc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 36878901 VIQBBHKRRVSVDA-UHFFFAOYSA-N 290.407 3.806 0 40 CHAB CCOCc1ccc(NC(=O)CSC(C)(C)C)cc1 75357762 BNLUDBVKYGBGIB-UHFFFAOYSA-N 281.421 3.693 0 40 CHAB CCC(C)(C)c1ccc(O[C@@H]2CCNC2)c(Cl)c1 42775308 VBMHGRYQMGIPEC-GFCCVEGCSA-N 267.800 3.768 0 40 CHAB COc1ccc(CNC(=O)c2cc(C)c(C)cc2C)cc1 225640397 DOQKUEAAHMSYMY-UHFFFAOYSA-N 283.371 3.550 0 40 CHAB COc1ccc(C(=O)CCc2cccs2)cc1F 199732472 DHGJFCKKHBXGAW-UHFFFAOYSA-N 264.321 3.711 0 40 CHAB Cc1ccc2nc(CCCCC(=O)OC(C)C)[nH]c2c1 82087180 KWJMCBQHDBSMFG-UHFFFAOYSA-N 274.364 3.536 0 40 CHAB CCc1ccc(CC(=O)NCCCc2ccc(C)cc2)cc1 224396304 GUUYSXQMDFFERF-UHFFFAOYSA-N 295.426 3.849 0 40 CHAB CCc1nc2ccc(NC(=S)NC(C)C)cc2s1 225205819 XARHAFHGHSGPCJ-UHFFFAOYSA-N 279.434 3.554 0 40 CHAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C 225603425 BBKSLOCAPQMSRO-MRXNPFEDSA-N 279.380 3.537 0 40 CHAB CCCCNC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 225986779 LQBUFHOVQJRSBZ-UHFFFAOYSA-N 293.798 3.801 0 40 CHAB Cc1cccc([C@@H](NC(=O)C2CC2)c2ccccc2)c1 225385299 WASJKVJMPHZHQE-KRWDZBQOSA-N 265.356 3.611 0 40 CHAB O=C(c1cnc2ccccc2c1)c1cc(F)ccc1F 45028962 QGXMQSSOGDNZJB-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB CCCCOc1cccc([C@H](C)NCCCOC)c1 225166727 OVLCUWUURLYGNN-AWEZNQCLSA-N 265.397 3.553 0 40 CHAB COc1cccc(F)c1C(=O)c1cc(C)ccc1C 88079914 RENGSGBHZUCBTK-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB Cc1noc(C)c1NC(=O)N[C@@H](C)c1ccccc1Cl 71799535 HJKZMQIYLPBZTL-QMMMGPOBSA-N 293.754 3.828 0 40 CHAB Fc1ccc(NC(=S)Nc2ccccc2)c(F)c1F 16221229 NDPIHSBGDQZJOJ-UHFFFAOYSA-N 282.290 3.913 0 40 CHAB Cc1nn2c(C)c(-c3ccc(Cl)cc3)nc2s1 40963514 PEQSWFDXAFEHMV-UHFFFAOYSA-N 263.753 3.728 0 40 CHAB C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O 4026402 PUQSDJZESAQGQS-OWSLCNJRSA-N 272.388 3.553 0 40 CHAB biogenic,in-vitro Cc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 1732122 PGRWCUNJFMXUCH-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CC[C@@H](C)c1ccccc1NC(=O)c1snnc1C 5239323 ZNPAWJYPDDKBJB-SECBINFHSA-N 275.377 3.612 0 40 CHAB COc1ccc(SCC(=O)Nc2ccccc2C)cc1 5240531 GSBRYKQNKYGOAY-UHFFFAOYSA-N 287.384 3.734 0 40 CHAB Cc1cc(Nc2ccc(O)cc2)nc2ccccc12 5330641 IOKFRVJLNKJZEL-UHFFFAOYSA-N 250.301 3.992 0 40 CHAB Nc1ccc([C@H]2CCC[C@H]2c2ccc(N)cc2)cc1 17355027 TWAZTWVKGNVLTN-CALCHBBNSA-N 252.361 3.902 0 40 CHAB O=C1CC=CC2=C1Sc1ccc(Br)cc1C2 35323127 BUFVUXRDBQGUKW-UHFFFAOYSA-N 293.185 3.880 0 40 CHAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)C1CCCC1 4138169 QNCBCPQFJLQXKZ-UHFFFAOYSA-N 296.414 3.853 0 40 CHAB CCc1ccc(/C=C/c2nc3ccccc3n(C)c2=O)cc1 4318388 TYMAJZRPWPLVGZ-OUKQBFOZSA-N 290.366 3.666 0 40 CHAB CC(=O)c1ccc(NC(=S)N(C)Cc2ccccc2)cc1 13576459 LEJPHIZWGHWELQ-UHFFFAOYSA-N 298.411 3.718 0 40 CHAB CCN(C(=O)c1c(OC)cccc1OC)c1ccccc1C 29309 CGHIGFVKMFDLPK-UHFFFAOYSA-N 299.370 3.679 0 40 CHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccn1 1293 PWHROYKAGRUWDQ-UHFFFAOYSA-N 288.350 3.930 0 40 CHAB in-vitro Cc1cccc(C(=O)Oc2ccccc2Br)c1 299093 IPTLSGWHBAOIRI-UHFFFAOYSA-N 291.144 3.977 0 40 CHAB CCOC(=O)CCC(=O)c1ccc(Cl)c(Cl)c1 2580270 MKEDULPURBGUFU-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB CCOC(=O)COc1ccc(Cl)cc1[C@H](C)CC 1719218 ISHNFHDDYLGGPR-SNVBAGLBSA-N 270.756 3.795 0 40 CHAB Cc1ccc(OCCCC(=O)NC2CCCCC2)c(C)c1 1913841 ZUXUPPCPASRESR-UHFFFAOYSA-N 289.419 3.911 0 40 CHAB CC(=O)c1sc(-c2cccc(Cl)c2)nc1C 6187236 OYVQQMWZZNLXTI-UHFFFAOYSA-N 251.738 3.975 0 40 CHAB COc1ccc2oc(C(=O)Nc3cccc(F)c3)cc2c1 8166267 ACBZBJMVMNNJSM-UHFFFAOYSA-N 285.274 3.833 0 40 CHAB COc1ccc(CC(=O)Nc2ccc(C)cc2C)c(OC)c1 8272493 XQQSPPFRSONPOW-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(F)cc2)c(C)c1 2696960 RDCTVZCTEUPPGG-UHFFFAOYSA-N 294.347 3.519 0 40 CHAB Cc1cc(C)cc(CSCC(=O)N2CCC[C@H](C)C2)c1 10541048 GWKUDIZSKZNDSO-ZDUSSCGKSA-N 291.460 3.795 0 40 CHAB O=C(O)/C=C/c1ccccc1OCc1ccc(F)cc1 11994879 REWVEZZQVZRYOF-JXMROGBWSA-N 272.275 3.503 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C)c1 2762860 FTNRCEZUFGCGMK-AWEZNQCLSA-N 269.344 3.709 0 40 CHAB COc1ccc(Cl)cc1CNCc1cccs1 57263113 IGPMSBDGRUCNOG-UHFFFAOYSA-N 267.781 3.700 0 40 CHAB Cc1[nH]c2ccc(Br)cc2c(=O)c1C(C)C 61688211 FRWDCFUNJLWWGE-UHFFFAOYSA-N 280.165 3.722 0 40 CHAB O=C(O)COc1ccc(Cl)cc1C1CCCCC1 1628222 OGVODSDQXYUSDP-UHFFFAOYSA-N 268.740 3.851 0 40 CHAB in-vivo C[C@H]1[C@H](C)CCC[C@H]1NC(=O)/C=C/c1ccc(Cl)nc1 108136894 FOCMCWDVQRCIOP-WTTLLLNMSA-N 292.810 3.689 0 40 CHAB CCCCc1c(C)c2ccc(OC(=O)CC)cc2oc1=O 1801640 IRKNUOSZPVMRPC-UHFFFAOYSA-N 288.343 3.759 0 40 CHAB CC(C)[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccs1 10376338 MKCQJTYSYLJWRC-HNNXBMFYSA-N 299.399 3.752 0 40 CHAB CC(=O)Nc1ccc(OCC(=O)c2ccc(C)cc2C)cc1 3343702 RHDUOEUSESNFPH-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB CC[C@@H](NC(=O)Cc1ccc(C)cc1)c1ccc(OC)cc1 12767542 YRGAMLDLFCAVQK-GOSISDBHSA-N 297.398 3.814 0 40 CHAB c1csc(-c2noc(Cc3c[nH]c4ccccc34)n2)c1 70458661 HCTMNHPVPFDDGF-UHFFFAOYSA-N 281.340 3.870 0 40 CHAB CC1=CSc2n(Cc3ccccc3)c3ccccc3[n+]2C1 13739510 YEEUNSNVSYWLNC-UHFFFAOYSA-N 293.415 3.987 0 40 CHAB COc1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 18029471 DZMCINQKCJXFFR-UHFFFAOYSA-N 292.338 3.738 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 6396585 SAPAMQUKLIHKIM-UHFFFAOYSA-N 282.343 3.596 0 40 CHAB Cc1ccc(C(=O)[C@@H](C)Sc2nc(C(C)C)n[nH]2)cc1 14140273 VNUZGBJDNAXHSP-LLVKDONJSA-N 289.404 3.600 0 40 CHAB Cc1nc2ccc(NC(=O)/C=C/c3ccco3)cc2s1 5578268 AARZBJSBECPYDE-FNORWQNLSA-N 284.340 3.850 0 40 CHAB CCOC(=O)c1oc2ccccc2c1CN1CCCCC1 4901187 UAHUKQUMTUWWHK-UHFFFAOYSA-N 287.359 3.595 0 40 CHAB C[C@@](O)(C1CCCCC1)[C@](C)(O)C1CCCCC1 68592058 NVGONKHUJZLNDX-HZPDHXFCSA-N 254.414 3.649 0 40 CHAB Cc1ccc(N)cc1NC(=O)c1cccc(OCC(C)C)c1 19736719 WYWYGOWFWKFYCN-UHFFFAOYSA-N 298.386 3.864 0 40 CHAB COc1ccc2cc(C(=O)Nc3nccs3)ccc2c1 9533153 NMWJWNITYMEZTP-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB Cc1cc(N(C)C)cc(C)c1NC(=O)N(C)[C@@H](C)C1CC1 97229554 ALVVAVSYYPQASO-ZDUSSCGKSA-N 289.423 3.632 0 40 CHAB Cc1ccccc1NC(=O)c1ccnc2ccccc12 95392635 JKLUXQOALLCOSI-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1ccncc1 84718109 GPSJSEBELIHNBL-QWHCGFSZSA-N 298.411 3.540 0 40 CHAB Cc1cn2c(n1)[C@@H](CN[C@@H](C)CCc1ccccc1)CCC2 95402205 VOGUPXQIKUDKHM-MAUKXSAKSA-N 297.446 3.680 0 40 CHAB CCCSc1nnc(C)n1-c1ccc(Cl)cc1 409100564 UVWKAVKTZIVUGP-UHFFFAOYSA-N 267.785 3.731 0 40 CHAB Cc1ccc(C(=O)c2c(F)cc(F)cc2F)c(C)c1 37358975 OAFLDWVFCCWMKO-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB CCC1(CC)CNc2ccc(Br)cc21 68593505 RXBBBHXRRJUSOV-UHFFFAOYSA-N 254.171 3.932 0 40 CHAB Fc1cccc(NC(=S)Nc2cc(F)cc(F)c2)c1 71761028 NKHMMAAWIUZMOE-UHFFFAOYSA-N 282.290 3.913 0 40 CHAB Cc1ccccc1-c1cc(-c2cccc(F)c2)nc(N)n1 71978083 KILMANCKGRZAGU-UHFFFAOYSA-N 279.318 3.840 0 40 CHAB CCOP(=O)(OCC)C(F)(F)[C@@H](O)c1ccccc1 36469715 VHGLJPQOTSBATO-NSHDSACASA-N 294.234 3.579 0 40 CHAB COc1ccc(CN[C@H](C)c2ccccc2OC)cc1F 37493515 UJHMFMCDZWCFPU-GFCCVEGCSA-N 289.350 3.694 0 40 CHAB CC(C)Oc1ccc(-c2cn3ccsc3n2)cc1 41005612 QSMTUPCBWJYXDE-UHFFFAOYSA-N 258.346 3.850 0 40 CHAB COc1ccc(Cc2nc3ccc(C)cc3o2)cc1 199745359 LHEYRRPORPYVHX-UHFFFAOYSA-N 253.301 3.736 0 40 CHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2)S1 222556316 VUDJCPYWPKCWPQ-MAZHCROVSA-N 295.411 3.671 0 40 CHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C)c1 225700181 WEKSELPAOIVURA-KRWDZBQOSA-N 293.407 3.928 0 40 CHAB COC(=O)c1cc(-n2cccc2)ccc1N1CCC(C)CC1 226277510 IFZAIFMUTROMRG-UHFFFAOYSA-N 298.386 3.500 0 40 CHAB Nc1cccc([C@H](O)c2ccc3c(c2)Cc2ccccc2-3)c1 226297021 SFZZLXVWOZJXEO-FQEVSTJZSA-N 287.362 3.922 0 40 CHAB CC1=C[C@H](C)[C@H](CN2CCO[C@H]2C(C)C)[C@H](C)C1 239439023 ZINAYKAEPVIUEM-FZKCQIBNSA-N 251.414 3.539 0 40 CHAB Fc1cc(Cl)cc(Br)c1OC(F)F 95215490 GWRMCVOTGSVIAQ-UHFFFAOYSA-N 275.451 3.843 0 40 CHAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1cc(F)ccc1F)OC2(C)C 257305302 SPIHVYSVSBAOCW-PEFIGTRRSA-N 296.357 3.838 0 40 CHAB Cc1ccc(C(=O)CC2(CC(=O)O)CCCC2)cc1F 95634326 WDXBZDHBGASKBN-UHFFFAOYSA-N 278.323 3.742 0 40 CHAB COc1ccc(-c2coc3c(C)c(OC)ccc3c2=O)cc1 48057013 KXVTZKSYTLNZLN-UHFFFAOYSA-N 296.322 3.786 0 40 CHAB Cc1ccccc1NC(=O)Nc1ccc(F)cc1F 16990246 LNNYQLLXKWACFG-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CCCC1 98009968 GZKLYXCDRLDSTG-UHFFFAOYSA-N 292.688 3.987 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]1 3432539 BCFKKUKMWRCNLH-UHFFFAOYSA-N 284.746 3.751 0 40 CHAB Cc1c(Cl)cnc(O)c1NC(=O)C1CCCCCC1 1776011417 XMOMGJLGFFMZFS-UHFFFAOYSA-N 282.771 3.658 0 40 CHAB C[C@H](NC(=O)c1ccsc1)c1cccc(Cl)c1 22650509 RYPLAAHBUSPGJV-VIFPVBQESA-N 265.765 3.893 0 40 CHAB C[C@H](NCc1cc(F)cc(F)c1)c1cccc(O)c1 161983418 IRAGEOZDKPKOSZ-JTQLQIEISA-N 263.287 3.521 0 40 CHAB Cc1ccc(C)c2sc(N3CC[C@H](CF)C3)nc12 2086992541 ZQXWWNRXZYQHQR-LLVKDONJSA-N 264.369 3.709 0 40 CHAB Cc1cc(C)n(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)n1 34694 UIFNZABODPAWGD-ONGXEEELSA-N 287.190 3.731 0 40 CHAB CCCCc1ccc(C(=O)c2ccc3c(c2)OCO3)cc1 37355170 ZKOYRLSAPYVSLS-UHFFFAOYSA-N 282.339 3.989 0 40 CHAB O=C(CCCn1cccc1)Nc1ccc(F)c(Cl)c1 49030996 MFRDUOICBYIRMD-UHFFFAOYSA-N 280.730 3.700 0 40 CHAB C[C@H]1CCCc2sc3[nH]c(=S)sc(=N)c3c21 100058205 ZQFMOXIIUTZOPM-YFKPBYRVSA-N 268.432 3.940 0 40 CHAB CC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100778298 GWDZCKKSXFQQAV-OKZRHMCRSA-N 271.198 3.699 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(Cn3cccn3)c2)s1 31968865 OWPMJQQQFJHAGQ-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB Cc1cccc2[nH]c(COc3ccc(F)cc3)nc12 16903900 AXDNQXWJAYOUQR-UHFFFAOYSA-N 256.280 3.589 0 40 CHAB COCc1nc2ccccc2n1CCOc1cccc(C)c1 246967 YLWIMVGINBKDQU-UHFFFAOYSA-N 296.370 3.570 0 40 CHAB CC(=O)Nc1ccc2nc(SC(C)C)sc2c1 1573692 PPIDHPVLQUMDDU-UHFFFAOYSA-N 266.391 3.755 0 40 CHAB O=C(Nc1ccccc1)N(Cc1ccco1)c1ccccn1 20896993 QXWOZDCIWLISJC-UHFFFAOYSA-N 293.326 3.913 0 40 CHAB CC(C)(C)C(=O)Nc1ccccc1COC(=O)C(C)(C)C 383267 YGJJYOWHPAHDAO-UHFFFAOYSA-N 291.391 3.761 0 40 CHAB Cc1noc2ncnc(Oc3cccc(C(F)(F)F)c3)c12 6188478 VVTIPXKAWWNAAM-UHFFFAOYSA-N 295.220 3.737 0 40 CHAB C[C@H](NC(=S)Nc1ccccc1F)c1ccccc1 7557508 OJURCOSJYFWJBB-NSHDSACASA-N 274.364 3.873 0 40 CHAB CN(Cc1ccc(Cl)cc1)c1ncnc2sccc12 8063284 SVHSDBOKLOYCPY-UHFFFAOYSA-N 289.791 3.981 0 40 CHAB O=C(CCc1ccccc1F)Nc1ccc(F)cc1F 8284396 QEDKDXFQXVKEFF-UHFFFAOYSA-N 279.261 3.675 0 40 CHAB CC(C)(C)c1ccc(Oc2ccc(C(=O)O)cn2)cc1 21512285 PFDJDBDZWDCYLY-UHFFFAOYSA-N 271.316 3.870 0 40 CHAB in-vitro C[C@@H](c1cccs1)N(C)C(=O)Cc1ccc(F)cc1 53312619 MLYKRXSLSUSLBI-NSHDSACASA-N 277.364 3.649 0 40 CHAB CCOC(=O)c1cc(Cl)cc(Cl)c1OCC 57331989 OACOHZQLJSDPQI-UHFFFAOYSA-N 263.120 3.569 0 40 CHAB COC(=O)c1ccc(OCc2c(F)cccc2Cl)cc1 1392580 LVAVNGMCFZQNAT-UHFFFAOYSA-N 294.709 3.845 0 40 CHAB Cc1cccc(Cn2c(C)nc3c(N)c(C)c(C)cc32)c1 1391869 KJCSOZPXKRZIGJ-UHFFFAOYSA-N 279.387 3.900 0 40 CHAB O=C(OCc1ccc(Cl)cc1Cl)C1CCC1 3257523 YTRIAFPBUIVJKB-UHFFFAOYSA-N 259.132 3.837 0 40 CHAB O=C(Nc1cccc(OCc2ccccn2)c1)C1CCCC1 26254471 JBKKCOLUJNFMKX-UHFFFAOYSA-N 296.370 3.789 0 40 CHAB CCC[C@@H](C)NC(=O)c1cc2c(C)cc(C)cc2[nH]1 12756431 QXSNNLTVWAJFLQ-GFCCVEGCSA-N 258.365 3.703 0 40 CHAB O=C(NCCC1=CCCCC1)c1ccc(O)c(Cl)c1 12922557 BIHFVBVYFMGWCX-UHFFFAOYSA-N 279.767 3.666 0 40 CHAB CC[C@@H](NC(=O)c1ccc(C)s1)c1c(C)noc1C 89947783 XXJDWYRBCZDPGU-LLVKDONJSA-N 278.377 3.542 0 40 CHAB CCc1ccccc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 7724056 ALSQLVPXSKAZAV-YIONKMFJSA-N 285.387 3.583 0 40 CHAB CC(=O)c1cccc(NC(=O)C(C)(C)c2ccccc2)c1 7968818 HLBJXPRVWIHKAA-UHFFFAOYSA-N 281.355 3.806 0 40 CHAB CC(=O)Nc1cccc(-c2nc(C3CC3)cs2)c1 68945803 WPZPOVGFTLEUKD-UHFFFAOYSA-N 258.346 3.646 0 40 CHAB C[C@@H](NC1CCC(N2CCCCC2)CC1)c1ccncc1 95982629 WVSFWYLIEKSZHG-FAEJEUNOSA-N 287.451 3.529 0 40 CHAB CCCCOc1ccc(CN[C@@H](C)CC)cc1OC 32114235 SHVRMTFGDPFBLU-ZDUSSCGKSA-N 265.397 3.762 0 40 CHAB CC(C)=CC(=O)NCc1ccc(-c2csc(C)n2)cc1 32820127 GOBNUVZXNGNBOA-UHFFFAOYSA-N 286.400 3.701 0 40 CHAB Cc1cc(Cc2sc(N)nc2C)ccc1Br 36220165 HIEFEYZUGCOBGG-UHFFFAOYSA-N 297.221 3.695 0 40 CHAB CCOC(=O)c1ccc2oc(-c3cccc(OC)c3)nc2c1 216793885 YEAWYUFAXBLHNM-UHFFFAOYSA-N 297.310 3.680 0 40 CHAB Cc1ccc(C)c(NC(=O)CSc2ccccc2N)c1 32691810 LWUDRSQLYMYRSB-UHFFFAOYSA-N 286.400 3.616 0 40 CHAB O=Cc1c(-c2ccc(C(F)(F)F)cc2)noc1Cl 71976726 KOGAABFJWGBBOU-UHFFFAOYSA-N 275.613 3.826 0 40 CHAB CCc1cc(OCCC2CCNCC2)ccc1Cl 42771478 MNLPOXJRDWOVOQ-UHFFFAOYSA-N 267.800 3.671 0 40 CHAB O=C(c1ccc(C2OCCO2)s1)c1ccccc1Cl 43210402 LFTJGFWKLOUGSF-UHFFFAOYSA-N 294.759 3.678 0 40 CHAB CC(C)COc1ccccc1[C@H](C)NC[C@@H]1CCCO1 225162413 OKLWYSRAVNDOPU-GJZGRUSLSA-N 277.408 3.551 0 40 CHAB Cc1ccc(Cc2c(Cl)ncnc2Cl)cc1 225311570 AUYFPQACTFFRRT-UHFFFAOYSA-N 253.132 3.683 0 40 CHAB CC(C)c1sc(Cl)nc1C(=O)Nc1ccccn1 95476039 ZOLDGOIPJCCOIO-UHFFFAOYSA-N 281.768 3.567 0 40 CHAB C[C@]12CC[C@@H]3C(=CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O 90712029 QKVSSSWYCZWEQM-NFBPCRFFSA-N 286.415 3.799 0 40 CHAB CN(Cc1ccco1)Cc1nc2ccccc2n1C(F)F 43507476 UDJYSUDCUGCGHO-UHFFFAOYSA-N 291.301 3.656 0 40 CHAB S=C(Nc1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 16489820 MTDLWFGWAQYQHS-KGLIPLIRSA-N 274.433 3.896 0 40 CHAB C[C@@H](SCC(=O)Nc1ccncc1)c1cccs1 85252016 HUNAUXPFMIWYDQ-SNVBAGLBSA-N 278.402 3.576 0 40 CHAB Cc1cc(C)cc(NCCC(=O)NC2CCCCC2)c1 12732584 JTYFPDFTLPUGBD-UHFFFAOYSA-N 274.408 3.554 0 40 CHAB CCCNC(=S)Nc1ccccc1[C@H](C)CC 13793728 YZPZEKFUKCDZDV-LLVKDONJSA-N 250.411 3.897 0 40 CHAB C[C@@H](CCNC1c2ccccc2-c2ccccc21)[S@@](C)=O 166254200 NFCZDHZGDPELJN-ZSEKCTLFSA-N 299.439 3.503 0 40 CHAB O=C(Nc1cccc(Cl)c1)N1[C@H]2C=CC[C@H]1CC2 208026041 TWSMWMBRYNJVHC-STQMWFEESA-N 262.740 3.665 0 40 CHAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccccc1 4275888 AFMQBBVMFPHJCG-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB O=C(/C=C/c1ccccc1)OC/C=C\c1ccccc1 17303481 NQBWNECTZUOWID-ZFVREGAWSA-N 264.324 3.956 0 40 CHAB COc1cc(NCc2c(C)noc2C)c(OC)cc1Cl 20252888 ZXDCWEDFEGPTOS-UHFFFAOYSA-N 296.754 3.574 0 40 CHAB O=C(c1ccc(Cl)cc1Cl)N1CCCCC1 37544 BDDXVGUICDEQGI-UHFFFAOYSA-N 258.148 3.620 0 40 CHAB FC(F)(F)c1cc(Cl)c2[nH]c(=S)[nH]c2c1 91020 HPLKCIAVCNSXLZ-UHFFFAOYSA-N 252.648 3.898 0 40 CHAB Cc1ccc2oc(=O)c3c(c2c1)Nc1ccccc1N=C3 113125 UEBPDMYDRMLRBV-UHFFFAOYSA-N 276.295 3.909 0 40 CHAB CCOC(=O)c1ccc(C(=O)C2CCCCC2)cc1 2514400 AEPOXFWOYIRIMT-UHFFFAOYSA-N 260.333 3.626 0 40 CHAB CCC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1 932743 YUFHGJMUVWQPMR-UHFFFAOYSA-N 280.780 3.836 0 40 CHAB CC(C)CO[C@@H]1CCC[C@H](Oc2ccccc2)O1 1677141 WKHNXJDXZCRGQN-LSDHHAIUSA-N 250.338 3.591 0 40 CHAB Cc1ccccc1Cc1cccc(C)c1OCCN(C)C 1677389 BBWFFXIZYMWKPC-UHFFFAOYSA-N 283.415 3.835 0 40 CHAB OCCSc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2511125 YNSHAQNVYLWTKF-UHFFFAOYSA-N 290.228 3.809 0 40 CHAB CCOC(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 2575931 CAXNCSRMNJVMKD-UHFFFAOYSA-N 284.311 3.615 0 40 CHAB O=C(c1cnc(Cl)c(Cl)c1)N1CCc2ccccc21 2653929 NWGOKAFKKOZYQO-UHFFFAOYSA-N 293.153 3.591 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1ccccc1OC 3192515 OSXMTCJOVYOTDH-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB Nc1ccc(SCC(=O)c2ccc(Cl)cc2)cc1 6269157 KZAHSUXBDVEMKE-UHFFFAOYSA-N 277.776 3.897 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccc(OCC)cc1 6329285 MHEXBNHCHOADQB-LLVKDONJSA-N 266.410 3.560 0 40 CHAB CC[C@H]1CCCCN1C(=S)Nc1ccccc1F 7557956 VTRJLBXLTBCAJS-NSHDSACASA-N 266.385 3.787 0 40 CHAB CSCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 8391966 HDVBYEDVQBNKJB-UHFFFAOYSA-N 297.383 3.531 0 40 CHAB Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)[nH]1 32899526 WELWIRWTAGKAEL-UHFFFAOYSA-N 270.361 3.894 0 40 CHAB Cc1csc(C2=C(O)CN([C@H](C)c3ccccc3)C2=N)n1 102720845 AXRUSIZKDYXCPN-LLVKDONJSA-N 299.399 3.775 0 40 CHAB c1ccc2c(c1)CC[C@@H](Nc1ccc3[nH]ncc3c1)C2 37284037 QEWXNJBWIDIXFP-OAHLLOKOSA-N 263.344 3.532 0 40 CHAB Cc1cc(C)c(NC(=O)[C@@H]2Cc3ccccc3O2)c(C)c1 23654282 LCYZXPXVDVYZEZ-INIZCTEOSA-N 281.355 3.554 0 40 CHAB COc1cccc2cc([C@H](C)NC(=O)C[C@H]3C=CCC3)oc12 25190462 VYMOUJPIFNOMRL-STQMWFEESA-N 299.370 3.975 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC1CCCCC1 22528685 IGQIHEZTEYEFCD-INIZCTEOSA-N 289.419 3.910 0 40 CHAB FC1(F)C(F)(F)C(Cl)(Cl)C1(Cl)Cl 1606169 ZWDCJLJWIQMWBE-UHFFFAOYSA-N 265.848 3.618 0 40 CHAB in-vitro Cn1c(NC(=O)CCCc2ccccc2)nc2ccccc21 28228056 AULJJPZGNOHNHT-UHFFFAOYSA-N 293.370 3.535 0 40 CHAB C[C@H]1c2cc(Cl)ccc2O[C@H]2c3ccccc3C(=O)N12 35324749 BTRYEPPEYIAAAB-FVMDXXJSSA-N 285.730 3.948 0 40 CHAB Cc1c([C@@H]2[C@H](CCN)C2(C)C)c2ccccc2n1C 2111443 CSWYSAZUCZBEDB-BBRMVZONSA-N 256.393 3.575 0 40 CHAB biogenic O=C(Nc1nc2ccccc2[nH]1)c1ccc(F)cc1Cl 12603357 ITIPOAVQYFFXCT-UHFFFAOYSA-N 289.697 3.608 0 40 CHAB C[C@@H](NCc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 3896872 GLJRNCZYMLAOAN-RRCMXIFQSA-N 297.442 3.950 0 40 CHAB Clc1ccc([C@H](NC[C@H]2CCCCO2)C2CC2)cc1 49900036 VBUGGBZITDYIBV-HZPDHXFCSA-N 279.811 3.950 0 40 CHAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1Cl 6304199 MTQJFRNJQKUDMN-CQSZACIVSA-N 288.734 3.631 0 40 CHAB CCC[C@@H](NC(=O)Nc1cc(C)on1)c1ccccc1 14085238 WJCGNUVJAUORDP-CYBMUJFWSA-N 273.336 3.646 0 40 CHAB CN(Cc1cccs1)C(=O)N[C@@H]1CCc2ccccc21 65589060 OUNSJWONAWKKPS-OAHLLOKOSA-N 286.400 3.577 0 40 CHAB Cc1cccc(NC(=O)c2cc(-c3ccco3)on2)c1C 14168929 IMNJFIVJOXCCSY-UHFFFAOYSA-N 282.299 3.804 0 40 CHAB CCCCS(=O)(=O)Nc1c(C)cccc1C(C)C 14257188 HPQUIRLNZICJIS-UHFFFAOYSA-N 269.410 3.660 0 40 CHAB O=C(Cc1ccsc1)N[C@H]1CCSc2ccccc21 6652214 GKFCXQJPOHZKCN-ZDUSSCGKSA-N 289.425 3.644 0 40 CHAB Nc1cccnc1Sc1ccc(Br)cc1 5635167 VGDNVWGKABKGIY-UHFFFAOYSA-N 281.178 3.578 0 40 CHAB CC(C)c1ccc(OCCCCNC[C@@H]2CCCO2)cc1 8753012 SCAVDWSAPZLLID-SFHVURJKSA-N 291.435 3.738 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1ccc(Cl)cc1 7401032 PBDJJKSYHYIYFB-UHFFFAOYSA-N 278.739 3.516 0 40 CHAB Cc1ccoc1C(=O)Nc1ccc(OC(F)(F)F)cc1 8852577 CPUHNRCSRNXTIY-UHFFFAOYSA-N 285.221 3.739 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 9228231 FMGSKLZLMKYGDP-OMWFQVSUSA-N 288.431 3.879 0 40 CHAB Cc1cccnc1NC(=O)c1ccc(C(F)(F)F)cc1 9338796 CKTPFIRCRVXCQW-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)C(C)(C)C 72310164 ZZVLRRCMVLQWGF-BTDICHCPSA-N 263.356 3.780 0 40 CHAB CC[C@H]1CC[C@H](C)N1c1ccnc(-c2ccccc2)n1 95458746 YSHPGSMYWOZQSF-ZFWWWQNUSA-N 267.376 3.911 0 40 CHAB C[C@@]12CC=CC[C@H]1C(=O)N(c1ccc3ccccc3c1)C2=O 26503919 SPYMKGMPCKEOLN-QFBILLFUSA-N 291.350 3.686 0 40 CHAB CCC1=C(c2ccc(OC)cc2)CC[C@@H](C(=O)O)[C@H]1C 1843253 VJKVHUZOVAWKEB-XHDPSFHLSA-N 274.360 3.990 0 40 CHAB biogenic,in-vitro Fc1cc(Cl)ccc1-c1nn2c(C3CC3)nnc2s1 32072445 QHCUODDZPDBBOJ-UHFFFAOYSA-N 294.742 3.523 0 40 CHAB Cc1cccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1 72211106 AVEUZKVFXGNECK-CQSZACIVSA-N 276.380 3.852 0 40 CHAB CCC(=O)c1cnc(NCc2ccccc2)c(C)c1 72222327 JPKKKGTUGZCFCX-UHFFFAOYSA-N 254.333 3.595 0 40 CHAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)n2c1 71459302 CBWVEYJDRXAEET-UHFFFAOYSA-N 299.761 3.857 0 40 CHAB CCCCOc1ccccc1[C@H](C)NCCCOC 225161406 PKEXOJXHQQZJEM-AWEZNQCLSA-N 265.397 3.553 0 40 CHAB Cc1cccc(C(=O)c2ccc(Cl)cc2Cl)n1 45028507 OWFDXXJHPGATPD-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CCN(CC)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 42124336 YLMPOSNSIJXMKB-CQSZACIVSA-N 277.408 3.754 0 40 CHAB Brc1cccc(-c2nc3cnccc3o2)c1 226281406 LJTQWPJJQALGMX-UHFFFAOYSA-N 275.105 3.652 0 40 CHAB FC(F)(F)c1cc(Cl)cc(Br)n1 95761938 HEAJSKKKRUHOTE-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB Cc1c(F)cccc1C(=O)C(F)(F)C(F)(F)F 95730891 SUQRHMNJXCXZQP-UHFFFAOYSA-N 256.145 3.514 0 40 CHAB Cc1c([C@@H]2CCCN2Cc2cccc3[nH]ccc23)cnn1C 91967928 HXDOCYKZDUKNCF-SFHVURJKSA-N 294.402 3.547 0 40 CHAB Cc1nn(C(C)C)cc1NCc1cc(F)ccc1F 256049636 ASOOWBVLOQBJSF-UHFFFAOYSA-N 265.307 3.663 0 40 CHAB CCc1c(C(F)(F)F)nc2ccc(OC)cc2c1O 685938283 OQAXODRLBMOCOD-UHFFFAOYSA-N 271.238 3.530 0 40 CHAB O=C(NC1CCCCC1)N1CCC[C@@H]2CCCC[C@@H]21 16137821 RGFILLUHHRAWHK-ZFWWWQNUSA-N 264.413 3.683 0 40 CHAB Cc1cccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)c1 5034371 KNFLHMJSIMSKKH-MDZDMXLPSA-N 291.350 3.966 0 40 CHAB COc1ccc(/C(=C/[S@](C)=O)c2cccs2)cc1 5639942 XEUWRDIQJDFOCT-ADYSOMBNSA-N 278.398 3.524 0 40 CHAB COc1ccc(SCC(=O)Nc2ccc(C)cc2)cc1 5751754 WXDNAMTVFUTJOH-UHFFFAOYSA-N 287.384 3.734 0 40 CHAB Fc1ccccc1NC(=S)NC[C@H]1C[C@H]2CC[C@@H]1C2 16450437 HOYMWKCTNPPLKR-QJPTWQEYSA-N 278.396 3.548 0 40 CHAB O=C(Nc1ccccc1)c1ccc2c(c1)CCCC2 6788910 UUEJTYVZEJABDI-UHFFFAOYSA-N 251.329 3.818 0 40 CHAB Cc1ccc(C)c(C(=O)C[C@H]2OC(=O)c3ccccc32)c1 8980320 OYMBJWFMMFGCLY-QGZVFWFLSA-N 280.323 3.788 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 28210559 ZSCSDSREPOYTKF-SECBINFHSA-N 279.261 3.595 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(F)cc1 5425390 RSBHFCHAWLSPGI-CQSZACIVSA-N 287.359 3.793 0 40 CHAB O=C(NCc1ccsc1)C12CC3CC(CC(C3)C1)C2 13698086 LUZWMIWRGJEELF-UHFFFAOYSA-N 275.417 3.581 0 40 CHAB Oc1cccc(CN[C@H]2CCCc3ccccc32)c1 20133750 JQDFHMUJLQSCBU-KRWDZBQOSA-N 253.345 3.559 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)N1CCCCCC1 20238708 SWOBUMGRHSUIRI-CQSZACIVSA-N 277.433 3.711 0 40 CHAB CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)OC(=O)C[C@@H]12 155029 IMKJGXCIJJXALX-MPTQWLOMSA-N 250.382 3.935 0 40 CHAB biogenic O=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)[nH]n1 51315677 HFUJRLBCNJBOLQ-UHFFFAOYSA-N 287.319 3.530 0 40 CHAB O=C1c2ccccc2C(=O)N1c1ccc(Cl)c(Cl)c1 239143 AHWYWRYUHZILMU-UHFFFAOYSA-N 292.121 3.794 0 40 CHAB CCc1ccc(-c2cc(O)cc3sc(=O)oc23)cc1 211625 NFOBZSAIDMRIPE-UHFFFAOYSA-N 272.325 3.790 0 40 CHAB COc1c(Cl)c(=O)oc2cc(C)c(Cl)c(C)c12 1673927 MQEYUUGUWURJES-UHFFFAOYSA-N 273.115 3.725 0 40 CHAB C[C@H](NC(=O)CSc1ccccc1)c1ccc(F)cc1 3383313 YLFDRWOXJZCMDW-LBPRGKRZSA-N 289.375 3.795 0 40 CHAB COc1ccccc1NC(=O)c1cccc(OC(F)F)c1 3481836 BTPXOKHHVMMHFL-UHFFFAOYSA-N 293.269 3.549 0 40 CHAB O=C(Oc1ccc2ccc(O)cc2c1)c1cccc(F)c1 364984 MSVNKCFDCVINRN-UHFFFAOYSA-N 282.270 3.904 0 40 CHAB CC[C@@H](CNC(=O)CCc1ccco1)c1ccccc1 32722750 NIHKTQJVNWLSRE-AWEZNQCLSA-N 271.360 3.522 0 40 CHAB Cc1ccc(C)c(C(=O)NCc2ccccc2C)c1 7976987 FLFQHNJWDONPGM-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB CCC[C@@H](C)NC(=O)CCc1ncc(-c2ccccc2)o1 54569672 TYLBPBOCWMBWFR-CYBMUJFWSA-N 286.375 3.579 0 40 CHAB CC(=O)[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)C 103212163 YOZCVQKUWBRLMA-LCGIIJARSA-N 282.424 3.852 0 40 CHAB Clc1ccc2c(NCc3ccccc3)ncnc2c1 1405658 IZVBRBNURSQCKG-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB Nc1ccc(-c2nc3ccc(N)c(Cl)c3[nH]2)cc1Cl 1508898 FNWVNNRTBTYKMO-UHFFFAOYSA-N 293.157 3.701 0 40 CHAB Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)o1 12784808 MHSSRHNKVVIFAL-WDEREUQCSA-N 289.297 3.747 0 40 CHAB C=C1c2ccccc2NC(=O)N1Cc1ccccc1 12736441 GKRJOUAMFWIRFD-UHFFFAOYSA-N 250.301 3.705 0 40 CHAB Fc1ccc(-c2cnnc(NCCC3=CCCCC3)n2)cc1 12706853 FHCMYBCKOVWBEP-UHFFFAOYSA-N 298.365 3.980 0 40 CHAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccn1 28781075 JRYAWAXHRWDTCH-JTQLQIEISA-N 294.276 3.591 0 40 CHAB Cc1ccc(-c2nn3c(CC(C)C)nnc3s2)cc1C 11278477 KYJSBKXQKXDYBC-UHFFFAOYSA-N 286.404 3.668 0 40 CHAB Cc1csc(NC(=O)c2cc3c(s2)CCCC3)n1 3561879 AUHVYHZLISVTFW-UHFFFAOYSA-N 278.402 3.644 0 40 CHAB aggregator CCc1ccc(C(=S)NCc2cccc(OC)c2)cc1 408572660 HOMJIQQTSCGXBQ-UHFFFAOYSA-N 285.412 3.723 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2F)c1 3608741 ZKSGEGMMZKOQDV-GFCCVEGCSA-N 273.307 3.540 0 40 CHAB COc1cccc(NC(=O)Nc2ccc3c(c2)CCC3)c1 13049124 MIZJXDWCEQWXAA-UHFFFAOYSA-N 282.343 3.828 0 40 CHAB CCCN1C(=O)CCSc2ccc(Cl)cc21 4042672 RTVRGQQATGKEMV-UHFFFAOYSA-N 255.770 3.579 0 40 CHAB O=C(NCc1ccsc1)c1ccc(C(F)(F)F)cc1 13698098 LXNZWEPWAVDZPM-UHFFFAOYSA-N 285.290 3.697 0 40 CHAB CCCCCC(=O)Nc1c(Cl)ccc2nsnc12 13945850 BOIDWELGRDDDKP-UHFFFAOYSA-N 283.784 3.864 0 40 CHAB CC(=O)c1cccc(NC(=O)CCOc2cccc(C)c2)c1 6432790 WKQFIUKIBMEITE-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB CC(C)c1nn2c(-c3ccccc3Cl)nnc2s1 15107802 VSULMXJTQMILIT-UHFFFAOYSA-N 278.768 3.630 0 40 CHAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccncc1 7184877 WYNUEPUCUHZPEU-CQSZACIVSA-N 290.366 3.655 0 40 CHAB CC(C)=C(F)C(=O)NCc1cccc(COC(C)(C)C)c1 89914030 QFISDJRCOURVKZ-UHFFFAOYSA-N 293.382 3.881 0 40 CHAB Cc1nc(CN2CCc3ccc(F)cc3[C@H]2C)oc1C 71909019 HIFMUUDGAGLYRZ-LLVKDONJSA-N 274.339 3.550 0 40 CHAB COc1cc(OC)c(NC(=O)C[C@H]2C=CCC2)cc1Cl 9691152 KHPHZQZKMGVKHJ-JTQLQIEISA-N 295.766 3.652 0 40 CHAB COc1cc(OC)c(NC(=O)c2occc2C)cc1Cl 9691491 XYRGRKYZQHKKIQ-UHFFFAOYSA-N 295.722 3.511 0 40 CHAB O=C(NC1CCCCCC1)c1nc(Cl)ccc1Cl 9958801 KWMCWOLIQAQMEH-UHFFFAOYSA-N 287.190 3.841 0 40 CHAB Clc1ccc(Cl)c(OCC[C@H]2CCCCN2)c1 20221548 BTDKHBOOXTVCAU-LLVKDONJSA-N 274.191 3.904 0 40 CHAB C[C@H]1C=CC[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 4412437 DBPIPTPJHVEPCI-JCURWCKSSA-N 291.350 3.541 0 40 CHAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1CCCCCN1 217460023 ZETSUFZCZGPEEG-QGZVFWFLSA-N 283.419 3.753 0 40 CHAB CCN(CC(=O)Nc1cccc(Cl)c1)c1ccccc1 48578477 BBOULKAFAONPGC-UHFFFAOYSA-N 288.778 3.805 0 40 CHAB CC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 45480402 XATZTDMFRUZHKU-UHFFFAOYSA-N 261.243 3.570 0 40 CHAB Cc1cccc(NC(=S)NCCSC(C)(C)C)c1 225349741 NYJMEBRFPOVAKT-UHFFFAOYSA-N 282.478 3.813 0 40 CHAB C[C@H]1CC(C)(C)N(CC(=O)O)c2ccc(Cl)cc21 223186409 ZOOLIGOYUNVTAH-VIFPVBQESA-N 267.756 3.517 0 40 CHAB Cc1ccc(N(C)C(=O)Cc2ccccc2)cc1C 222938480 LAZOGMJHSAJOID-UHFFFAOYSA-N 253.345 3.509 0 40 CHAB CC(C)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344105 HNMBGILZWOTGHR-VXGBXAGGSA-N 272.175 3.622 0 40 CHAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccccc2)o1 49546554 DABLNAVFBRYIFE-GFCCVEGCSA-N 293.326 3.804 0 40 CHAB CC1(C)COc2ccc([C@H](O)c3cccs3)cc2OC1 225357304 IDZDQCSLNYJZBF-HNNXBMFYSA-N 290.384 3.627 0 40 CHAB FC(F)(F)c1ccc(Cl)c(Br)n1 98086079 GZYFDBLTSIPCQH-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB Cc1cccc([C@H]2CCCN2Cc2cccc3cn[nH]c23)n1 93453332 ZJRPLMJWLUSZHQ-QGZVFWFLSA-N 292.386 3.603 0 40 CHAB COc1ccc(NC(=O)C2CCCCC2)c2ncccc12 96184296 OMSJSRVFNOPBSL-UHFFFAOYSA-N 284.359 3.762 0 40 CHAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC)OCC[C@@]31C2 257201575 AIEWJWILDFXBDP-BKQFBDTOSA-N 293.451 3.523 0 40 CHAB COc1cc(OC)cc(C(=O)CCc2ccccc2)c1 94650514 OVRTUSJVWXZIGY-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB CCCCc1ccc(C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 95633989 ZWPYUXPBROFABV-HZPDHXFCSA-N 286.371 3.879 0 40 CHAB CCN(Cc1ccccc1N[C@H](C)c1ccncc1)C(C)=O 97037015 CBBLKIPJPPKZDF-CQSZACIVSA-N 297.402 3.623 0 40 CHAB Fc1cccc2c1SCC[C@H]2Nc1cncc(Cl)n1 64914144 QWVSGMOFMYOVOO-SNVBAGLBSA-N 295.770 3.918 0 40 CHAB CC(C)c1ncc(CN(C)[C@@H](C)c2cccnc2)s1 97375270 VZBYXTMSSWSFDC-LBPRGKRZSA-N 275.421 3.855 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 12292903 FGLJNPSOMXZQJY-UHFFFAOYSA-N 293.370 3.986 0 40 CHAB N[C@@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 19415909 YJRJMYZOAPKLFB-ZDUSSCGKSA-N 269.241 3.893 0 40 CHAB in-vitro Brc1csc(CNCCc2ccccc2)c1 20305878 FFXHJRWMXNPDCR-UHFFFAOYSA-N 296.233 3.843 0 40 CHAB O=C(Cc1ccc2c(c1)CCCC2)NC1CCCCCC1 32674174 KKQJCLDKYSWVRM-UHFFFAOYSA-N 285.431 3.947 0 40 CHAB Cc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1C 2641523 ZELLQHAAFCKRQY-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB Cc1nc(-c2ccccc2NC(=O)Cn2cccc2)cs1 206895848 LWEGICROYVYJHO-UHFFFAOYSA-N 297.383 3.559 0 40 CHAB C[C@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1 40098208 VUTICSITXNSDEX-ZDUSSCGKSA-N 272.392 3.829 0 40 CHAB COc1cccc2c1Oc1nc3ccccc3nc1O2 20030720 IXRCVFPSACOKPG-UHFFFAOYSA-N 266.256 3.536 0 40 CHAB O=C(CCc1ccc(F)c(F)c1)Nc1ccccc1F 31873123 RSIRMBALLVPSFK-UHFFFAOYSA-N 279.261 3.675 0 40 CHAB CCCn1c(C(=O)c2ccc(OC)cc2)nc2ccccc21 103908 JKPNGIGYADEAGR-UHFFFAOYSA-N 294.354 3.686 0 40 CHAB O=C1Nc2ccccc2[C@@H]2Cc3c([nH]c4ccccc34)C[C@@H]12 1692015 VTLHZVQWKGYIBJ-DZGCQCFKSA-N 288.350 3.619 0 40 CHAB Cc1ccc(CNC(=O)Cc2ccccc2Cl)cc1 3554369 LDWPCHHPKMTMMJ-UHFFFAOYSA-N 273.763 3.507 0 40 CHAB CCOC(=O)c1sc(N[C@@H](C)CC)nc1C(F)(F)F 4294212 MNQKKVDRDKOAGO-LURJTMIESA-N 296.314 3.549 0 40 CHAB CCC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 587103 LDAJHFQNMQGLJJ-UHFFFAOYSA-N 268.312 3.807 0 40 CHAB CCCS[C@H]1C(C)=C(C)C(=O)N1Cc1ccccc1 12489743 DBIPUVITQZPOAP-INIZCTEOSA-N 275.417 3.835 0 40 CHAB O=C(CCc1ccc(Cl)cc1)N1CCCCCC1 53663089 NQGHPRYWPLRMNC-UHFFFAOYSA-N 265.784 3.675 0 40 CHAB Cc1cc(C[S@@](=O)CCC2C[C@H](C)C[C@@H](C)C2)on1 108102234 XXPKOAYKPJCIEH-HNYWDRBLSA-N 283.437 3.694 0 40 CHAB Cc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)n1C 3371834 HOEXVBPHVLLGQO-UHFFFAOYSA-N 297.185 3.570 0 40 CHAB Cc1cc2oc(C(=O)Nc3ccccc3)cc(=O)c2cc1C 27664612 VSGYRPOOYWOIFY-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1nc(-c2ccccc2)c[nH]1 58249798 RFFFRIKXVFOSEF-HIFRSBDPSA-N 295.386 3.610 0 40 CHAB CCCCCc1c(C)nc(SCCCC)[nH]c1=O 2191065 GEOQLHKANOUEFK-UHFFFAOYSA-N 268.426 3.703 0 40 CHAB Fc1ccc(F)c(-c2csc(-c3cnccn3)n2)c1 48365035 LRDGDBQXFYEILO-UHFFFAOYSA-N 275.283 3.545 0 40 CHAB CCOc1ccc(NC(=O)Cc2ccccc2Cl)cc1 3482878 USXOFNKTIUQDJN-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB COc1ccccc1C(=O)N[C@H](C)c1cc2ccccc2o1 12935218 HPBSMTDNVNVRKM-GFCCVEGCSA-N 295.338 3.932 0 40 CHAB CC[C@H](CNC(=O)CC1CCCC1)c1ccccc1 39976007 RSOLFMSNZNTRSM-OAHLLOKOSA-N 259.393 3.877 0 40 CHAB O=C(CCc1ccccc1)N[C@@H]1CCCc2ccccc21 5442897 MRYKKTUOUNSCLZ-GOSISDBHSA-N 279.383 3.813 0 40 CHAB CC(C)(C)c1ccc(COCC2CCNCC2)cc1 14631401 LZKUKWLPTZUCNU-UHFFFAOYSA-N 261.409 3.500 0 40 CHAB CC(C)(C)c1ccc(C2=NC3(CCCCC3)NC2=O)cc1 67240484 AECIPZHJOBSGCD-UHFFFAOYSA-N 284.403 3.563 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccc(O)cc3)[C@@H]1[C@H]2C 16029322 UVEZFZYRAYSXIF-IIAXDYGNSA-N 258.361 3.928 0 40 CHAB biogenic COc1cccc(CNc2ncnc3sc(C)c(C)c23)c1 7982761 BBFHWNGIMHTUCZ-UHFFFAOYSA-N 299.399 3.929 0 40 CHAB CCOc1ccccc1C(=O)NC[C@H](SC)C(C)(C)C 96009728 OGFGLTOCOODWNT-AWEZNQCLSA-N 295.448 3.593 0 40 CHAB CC(C)Oc1ccc(NCCOc2ccccc2)cc1 19738257 FFBYAIDZPITIPU-UHFFFAOYSA-N 271.360 3.965 0 40 CHAB COCc1cccc(CSCc2ccccn2)c1 97037597 MGBZVVHRCRFMEY-UHFFFAOYSA-N 259.374 3.661 0 40 CHAB Cc1nc(CCNc2ccc(C)c(F)c2)cs1 95467449 ONHCXUPPQAHPFK-UHFFFAOYSA-N 250.342 3.554 0 40 CHAB Cc1c([C@H](C)N[C@@H](C)c2cnn(C)c2)oc2ccccc12 95420803 DZACUUNWAHCIER-STQMWFEESA-N 283.375 3.887 0 40 CHAB c1ccc2sc(NCc3cn4ccccc4n3)nc2c1 25371076 YAFPBCVOAYPZLH-UHFFFAOYSA-N 280.356 3.556 0 40 CHAB CN1C(=O)/C(=C/C=C/c2ccccc2)c2ccccc21 33903338 MRFILVOTIDMOCH-HJHNEDDCSA-N 261.324 3.760 0 40 CHAB COc1ccc(C(=O)c2cc(F)ccc2C)cc1F 55262680 QUERCIHAFVFYIW-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB CC(=O)N1CCC[C@H]1c1cccnc1Sc1ccccc1 72217655 RSNHIHFPPJPOHI-INIZCTEOSA-N 298.411 3.916 0 40 CHAB COc1ccc(C2=NN(c3ccccc3)C=CC2)cc1 5320747 MUHSRJOVIHTIAX-UHFFFAOYSA-N 264.328 3.823 0 40 CHAB biogenic O=C(NCCc1ccsc1)c1ccc(F)cc1Cl 13698202 NMAPKSDFFDEWFC-UHFFFAOYSA-N 283.755 3.513 0 40 CHAB O=C(NC[C@H](O)C1CCCCC1)c1cccc2ccccc12 69496016 JVEDAFLPQZWZGG-SFHVURJKSA-N 297.398 3.511 0 40 CHAB CC(=O)Nc1ccccc1OCCOC1CCCCCC1 77238312 BILSQXGAXLGQGL-UHFFFAOYSA-N 291.391 3.763 0 40 CHAB O=C1CCCC[C@@H]1Cc1ccc(Br)cc1 41384421 YZQKJNNWDKACPT-LLVKDONJSA-N 267.166 3.751 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccccc2N)o1 226304758 CAXORRDQOLORHX-BETUJISGSA-N 298.386 3.932 0 40 CHAB C[C@H](NC(=O)c1conc1-c1ccccc1)c1ccccc1 225870657 PZCLSJOEDYBELX-ZDUSSCGKSA-N 292.338 3.833 0 40 CHAB O=C(c1ccc(C(F)(F)F)cc1)c1ccsc1 43210307 TVGQMPOWWKQBIS-UHFFFAOYSA-N 256.248 3.998 0 40 CHAB O=C(Cc1ccc(F)cc1)NCCSC1CCCCC1 224300571 VVUNPXCYNWIVLK-UHFFFAOYSA-N 295.423 3.550 0 40 CHAB O=Cc1cc(Br)c(-c2ccccc2F)o1 143574190 UHNJAJZVEFUIFM-UHFFFAOYSA-N 269.069 3.661 0 40 CHAB C[C@H](c1cccc(O)c1)N(C)C(=O)c1cccc2cc[nH]c12 95972107 VDSJQKPZLUMKQN-GFCCVEGCSA-N 294.354 3.707 0 40 CHAB CC[C@H](C)n1ccc(NCc2cn(C(C)C)nc2C)n1 256053705 SNDMYJMCNVZXPF-LBPRGKRZSA-N 275.400 3.552 0 40 CHAB O=C(C[C@@H]1CCCO1)N[C@@H](c1cccs1)C1CCCC1 47110377 SFXUUZPDRXCBQE-XJKSGUPXSA-N 293.432 3.665 0 40 CHAB CO[C@H]1CN(C2CCCC2)CC[C@@H]1Cc1ccc(F)cc1 1615084274 JVUCBUNJWNUPNS-QAPCUYQASA-N 291.410 3.648 0 40 CHAB CN(C)CCCCNc1ccnc2cc(Cl)ccc12 1729567 REEWIYAPXQFEEW-UHFFFAOYSA-N 277.799 3.642 0 40 CHAB COc1ccc(/C=C\c2cnc3ccccc3n2)cc1OC 5023654 FNOLUOKAPMSWQC-CLFYSBASSA-N 292.338 3.817 0 40 CHAB CCOC(=O)[C@@H]1CC[C@H]2Nc3c(Cl)cccc3[C@@H]2C1 12336674 ILKXXVKIHTZAIS-SUZMYJTESA-N 279.767 3.581 0 40 CHAB CCOc1cc(CNC(C)C)ccc1O[C@H](C)CC 34815847 VQHCHFLEDUTIFL-CYBMUJFWSA-N 265.397 3.761 0 40 CHAB O=C(OCc1cc(-c2ccccc2)on1)c1ccc(F)cc1 7101252 DYISUHZSLVFUES-UHFFFAOYSA-N 297.285 3.838 0 40 CHAB OCc1ccc(Oc2ccc(Br)cc2)c(F)c1 20435354 HUUCJMFWXQVGOK-UHFFFAOYSA-N 297.123 3.873 0 40 CHAB in-vitro C[C@@H](CCc1ccccc1)Nc1nc(Cl)nc(Cl)n1 246978 WUFDCNKXMJXAKY-VIFPVBQESA-N 297.189 3.612 0 40 CHAB COc1cccc(C(=O)c2ccc(CN3CCCC3)cc2)c1 2514549 PNWURPPCXNCDGF-UHFFFAOYSA-N 295.382 3.522 0 40 CHAB CCCC(=O)O[C@H](c1ccccn1)c1cccs1 69664591 SOWOGHZDGUYKIR-CQSZACIVSA-N 261.346 3.576 0 40 CHAB COc1ccc(-c2sccc2[C@@H](C)C(=O)O)cc1 825975 SDFFXHKBRZGJDW-SECBINFHSA-N 262.330 3.612 0 40 CHAB O=C(Nc1ccc(F)cc1)c1cnc(Cl)c(Cl)c1 2648252 BLIVEMHLVXXDBV-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB O=C(c1ccccc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32073513 GWANCMODYFPCIH-UHFFFAOYSA-N 290.366 3.973 0 40 CHAB CC(C)c1ccccc1NC(=S)NC(=O)c1ccco1 3266005 LRMMWBHQNHSBGE-UHFFFAOYSA-N 288.372 3.530 0 40 CHAB COCCCNc1ncnc2scc(-c3ccccc3)c12 4118034 PGIYGOZHEUUPGG-UHFFFAOYSA-N 299.399 3.807 0 40 CHAB Cc1ccc(C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 4536087 QBIDUOULQWJMLZ-HNNXBMFYSA-N 297.379 3.806 0 40 CHAB Cc1nc(-c2cccc(NC(=O)c3ccccn3)c2)oc1C 6500436 IVXGSMVZYMUIQR-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB Cc1cc([C@@H](O)c2ccccc2Br)ccc1F 55203397 FJFDBESTSUXNAK-CQSZACIVSA-N 295.151 3.978 0 40 CHAB Cc1cccc(-n2nc(-c3ccc(F)cc3)cc2O)c1 10157375 UBMPTWXKOYZBAT-UHFFFAOYSA-N 268.291 3.692 0 40 CHAB Clc1ncccc1-c1ccc(Br)nc1 12359384 ZJELTIZOKPTJER-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB Fc1ccc(CCNc2ncnc3c(F)cccc23)cc1 41471173 GOYDWTWVFXADSV-UHFFFAOYSA-N 285.297 3.563 0 40 CHAB CCC[C@H](C)NC(=O)CCc1ncc(-c2ccccc2)o1 54569676 TYLBPBOCWMBWFR-ZDUSSCGKSA-N 286.375 3.579 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCc1ccccc1)[C@@H]2OC=O 100938451 RLHWKPHEDMEOHF-LHHMISFZSA-N 288.387 3.570 0 40 CHAB CC(C)Cc1ccc(C[S@@](=O)CC2CCOCC2)cc1 96484815 KVFBGYUHVPGKCG-FQEVSTJZSA-N 294.460 3.560 0 40 CHAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 28580377 CPKCVGNHPMDHQY-UHFFFAOYSA-N 295.791 3.555 0 40 CHAB Cc1ccc(F)cc1NC(=O)N(CC(C)C)C1CC1 43276688 PHIRFADRFOIPAI-UHFFFAOYSA-N 264.344 3.786 0 40 CHAB c1ccc(-c2nnsc2Sc2ccccn2)cc1 1385715 ZVHKVSRHUXMCAI-UHFFFAOYSA-N 271.370 3.751 0 40 CHAB CC(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1 3447010 QSFSCWMLQIZFEU-UHFFFAOYSA-N 281.355 3.687 0 40 CHAB Clc1ccccc1OCc1nc2ccccc2[nH]1 13219151 UIPOKFUXNJLYAO-UHFFFAOYSA-N 258.708 3.795 0 40 CHAB CC(C)CC[C@@H](CC(=O)NCc1cccnc1)C(C)C 13689106 CLPVSONTOFXLHY-INIZCTEOSA-N 276.424 3.796 0 40 CHAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCO1 6340054 HFGDXMIULQMCIP-MRXNPFEDSA-N 283.327 3.596 0 40 CHAB O=C(CCc1ccccc1)N[C@@H]1CCSc2ccccc21 5425473 ARAWMORDQXRHCV-MRXNPFEDSA-N 297.423 3.973 0 40 CHAB O=C(O)c1ccccc1OCc1nc2ccccc2s1 7063694 QIAYSXMCBVXOMD-UHFFFAOYSA-N 285.324 3.574 0 40 CHAB Cc1ccc(CCn2cc([C@H]3CC=CCC3)nn2)cc1C 67491006 JACWUXPKGLASIL-KRWDZBQOSA-N 281.403 3.961 0 40 CHAB C/C(=C\C(=O)N[C@@H](C)c1ccccn1)CCc1ccccc1 96188204 UUNVBCNNVHUOLS-IYOXOMEYSA-N 294.398 3.838 0 40 CHAB CC(C)[C@@H](CNC(=O)CC(C)(C)C)Nc1ccccc1 71838240 PNCZVCWEAPZXEU-OAHLLOKOSA-N 276.424 3.676 0 40 CHAB CC1CCC(N(C)c2ncnc3ccsc23)CC1 71873522 FNZPVAZPLPSDCH-UHFFFAOYSA-N 261.394 3.706 0 40 CHAB Cc1nc(C)c(CN[C@@H](C)c2sccc2C)s1 97017134 ZPJRWUSFBNNPNB-JTQLQIEISA-N 266.435 3.981 0 40 CHAB Cc1coc(-c2cccc(N[C@@H]3C[C@@H](C)N(C)C[C@@H]3C)c2)n1 97232192 NWIFTSMLJPWXKM-DXCKQFNASA-N 299.418 3.791 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)N1CCCCCCC1 9956997 FCSJCIBZPDBCPE-UHFFFAOYSA-N 284.403 3.893 0 40 CHAB CCO[C@H](C)c1nccn1Cc1csc(C(C)C)n1 89521752 ZGKLNDGBLFFCAV-LLVKDONJSA-N 279.409 3.609 0 40 CHAB CC1CCC(C)(NC(=O)c2scnc2C2CC2)CC1 89787474 MKKOFQHZIHEWJC-UHFFFAOYSA-N 278.421 3.719 0 40 CHAB CC(C)CCc1nc(CSc2nccn2C)cs1 64926638 YXRMDJFSMULCLG-UHFFFAOYSA-N 281.450 3.758 0 40 CHAB O[C@H](c1ccccc1)c1ccc(OCc2ccccc2)nc1 72225391 VEBGKNFNWJWCSX-LJQANCHMSA-N 291.350 3.742 0 40 CHAB Cc1cc(CNC(=O)Nc2ccccc2C)c(C)o1 70640524 SHTIWMMXKICWBC-UHFFFAOYSA-N 258.321 3.527 0 40 CHAB CC(C)CNc1ccc([C@@H]2CCCN2CC(C)C)cn1 72213317 ZVFQRABDPDLDLH-INIZCTEOSA-N 275.440 3.942 0 40 CHAB COc1ccc(-c2ncc(-c3cccc(N)c3)o2)cc1OC 226102919 AMXNXKMHUIYEFB-UHFFFAOYSA-N 296.326 3.608 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NCC2=CCCCC2)c(C)c1 224605616 NYIZLPCXHRHCOB-OAHLLOKOSA-N 287.403 3.687 0 40 CHAB COc1c(OC)c(OC)c2c(c1OC)[C@@H]1C=C(C)[C@H]2CC1 45027973 QUBYQAXBMQWBNX-WDEREUQCSA-N 290.359 3.642 0 40 CHAB CC(C)c1ccc(O[C@H]2CCCNC2)c(Cl)c1 42775011 UZDIUJBBMINLGU-LBPRGKRZSA-N 253.773 3.594 0 40 CHAB CCCOC(=O)c1cc(N)ccc1Nc1ccc(F)cc1 225468738 MOVYPOWYSPEOSO-UHFFFAOYSA-N 288.322 3.718 0 40 CHAB O=c1[nH]c2c(s1)C1(CCCC1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 222226053 KHMQOKBUWRJFJO-MMWGEVLESA-N 293.457 3.769 0 40 CHAB N=C1c2ccccc2C(=O)N1Sc1ccc(Cl)cc1 255189436 PWSQBOLXFGGDNG-UHFFFAOYSA-N 288.759 3.828 0 40 CHAB Cc1nc2ccccc2n1C[C@H](O)c1ccc(Cl)cc1 15554697 GCTHKGNOFWEDRP-INIZCTEOSA-N 286.762 3.732 0 40 CHAB CCCc1nc(CN(C)CCOc2ccccc2)cs1 40050136 MWYYMZQUXADWHC-UHFFFAOYSA-N 290.432 3.606 0 40 CHAB Cc1cnc([C@H](C)N[C@@H](C)Cc2ccsc2)s1 96479076 GYLBFPCIJHFZGC-ONGXEEELSA-N 266.435 3.795 0 40 CHAB O=C(NCC1CCCCC1)c1ccccc1Br 3559978 ZKOOGIFYUQWZRX-UHFFFAOYSA-N 296.208 3.759 0 40 CHAB O=C(O)c1ccc(CNc2ccc(Cl)c(Cl)c2)o1 8729670 PDYFJMGIHGBQKT-UHFFFAOYSA-N 286.114 3.897 0 40 CHAB Cc1ccc(NC(=O)OCC(F)(F)F)c(Cl)c1 32628900 PHPOLDBUJVXQHY-UHFFFAOYSA-N 267.634 3.759 0 40 CHAB in-vitro Cc1cccc(OCC(=O)N[C@H](C)c2ccccc2)c1C 5404472 QFYOECVCTYVZQO-OAHLLOKOSA-N 283.371 3.560 0 40 CHAB CC(C)Oc1ccc(CCCNC(=O)c2ccccc2)cc1 13673653 LSURTEIMQOREFT-UHFFFAOYSA-N 297.398 3.836 0 40 CHAB O=C(Nc1ccc(S)cc1)c1ccc(Cl)cc1 16401081 QZKCSEJIUOKBRH-UHFFFAOYSA-N 263.749 3.881 0 40 CHAB c1ccc2sc(SCc3ccncc3)nc2c1 16545470 NSJPAGXPWHJPIR-UHFFFAOYSA-N 258.371 3.984 0 40 CHAB O=C1CS[C@H](c2cccc(Cl)c2)N1c1nccs1 19927179 NPZKYONYQOCQEB-LLVKDONJSA-N 296.804 3.575 0 40 CHAB CC(C)Oc1ccc(NC(=O)NC2CCCCC2)cc1 8569161 XPVDNKUBQHRGAS-UHFFFAOYSA-N 276.380 3.928 0 40 CHAB Fc1ccc2nc(N3CCc4ccccc4C3)sc2c1 4137873 HHZMGGAESHHWCK-UHFFFAOYSA-N 284.359 3.998 0 40 CHAB O=C(NCCc1ccccc1)Nc1c[nH]c2ccccc12 5299896 QRRBQHFEBYTZCT-UHFFFAOYSA-N 279.343 3.532 0 40 CHAB Cc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)on1 13596770 KIVSJFIVAVYPDX-UHFFFAOYSA-N 292.338 3.826 0 40 CHAB Cc1cccc(C)c1NC(=O)C(=O)c1c[nH]c2ccccc12 4163243 XYNZYEDIHHDFRL-UHFFFAOYSA-N 292.338 3.606 0 40 CHAB C[C@H](NC(=O)NCc1ccco1)c1ccc(Cl)s1 40513529 DZOJZRZAOCNSOE-QMMMGPOBSA-N 284.768 3.555 0 40 CHAB Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 142247 XLULMEIRIDTZLZ-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB C[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O 488412 PIQARLQHRWXSLS-XIKOKIGWSA-N 282.387 3.588 0 40 CHAB biogenic O=c1nc2n(c3ccccc13)[C@@H](c1ccccc1)C=CS2 1479663 INPBOCOWKOIICV-CQSZACIVSA-N 292.363 3.605 0 40 CHAB Cn1c([C@@H](O)c2ccc(Cl)cc2)cc2ccccc21 1736865 BHWNYGJMEYIVSL-INIZCTEOSA-N 271.747 3.913 0 40 CHAB O=Cc1nc2ccccc2n1CCCCOc1ccccc1 6609948 RQLNDPQYCDWWJV-UHFFFAOYSA-N 294.354 3.708 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(F)cc1 7527200 CDIHTPJENUNWDR-GXFFZTMASA-N 266.385 3.691 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccccn1 32787272 CTGDDSIMBJERHB-NSHDSACASA-N 274.751 3.568 0 40 CHAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@H](O)C[C@@H]12 8551306 KVUXYQHEESDGIJ-SUHWBHAHSA-N 292.463 3.751 0 40 CHAB in-vitro Cc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1C 37400880 PRTIUAXRLMOCEQ-UHFFFAOYSA-N 266.300 3.545 0 40 CHAB O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2nccs2)C1 171645677 NPCSMDVRFGOOMK-XVJNWHFHSA-N 298.411 3.563 0 40 CHAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccoc1 12592518 FDRRJTQOMIBRFV-UHFFFAOYSA-N 295.342 3.608 0 40 CHAB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1F 23543572 VUAGNASKYDVOAY-SECBINFHSA-N 293.725 3.676 0 40 CHAB Cc1cc(OCC[C@H]2CCCNC2)ccc1C(C)C 42773553 SBHYWGQUQVYITJ-OAHLLOKOSA-N 261.409 3.887 0 40 CHAB O=C1[C@@H]2CC=C[C@@H]2C1(c1ccccc1)c1ccccc1 1561989 DNZJVCHYHROQDV-SJORKVTESA-N 260.336 3.748 0 40 CHAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2)cc1C 22538045 ZNMXQYQPNNPXGV-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB C[C@H](O)C[C@H](CN[C@H](C)C(C)(C)C)c1ccccc1 108324665 AHRAFDULWVDUBJ-SQWLQELKSA-N 263.425 3.565 0 40 CHAB O=[S@@](Cc1ccccc1)Cc1cccc(Cl)c1 58184116 RZNLTHJHFXGYNC-QGZVFWFLSA-N 264.777 3.789 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCC(C)C 10540448 CXQTVCQVSNJWJA-UHFFFAOYSA-N 285.391 3.864 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)NC1CCCCCCC1 12999645 HHXVVRLBMFGLTO-UHFFFAOYSA-N 284.403 3.940 0 40 CHAB Nc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1Cl 20193819 AUERELFTPPDZGX-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CC[C@H](C)NC(=O)N[C@H](C)c1cccc2ccccc12 13746383 JRHMYBCSGUILSG-QWHCGFSZSA-N 270.376 3.999 0 40 CHAB O=C(NCc1cccs1)c1cc(Cl)ccc1Cl 5172396 JYPNFUMPDBPCHF-UHFFFAOYSA-N 286.183 3.985 0 40 CHAB C/C=C/C=C/C(=O)N1CCC(c2nc3ccccc3o2)CC1 14186407 AHZUJZJNOAKAOH-DSXPNFDZSA-N 296.370 3.666 0 40 CHAB COc1ccccc1Oc1c(C)oc2cc(O)ccc2c1=O 6556411 ALQXAOJNDYLECZ-UHFFFAOYSA-N 298.294 3.608 0 40 CHAB biogenic O=C(NCc1ccccc1Cl)C1(c2ccccc2)CC1 6881184 BVAYYRKGJQVJCD-UHFFFAOYSA-N 285.774 3.688 0 40 CHAB NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 20158823 BURKLXJPDKXVEH-UHFFFAOYSA-N 285.397 3.619 0 40 CHAB c1ccc(-c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)nc1 6943585 BEGHNRXFTSWYBF-UHFFFAOYSA-N 295.386 3.891 0 40 CHAB Cc1ccc2c(CC(=O)N[C@H](C)c3ccccn3)coc2c1 9745226 DWNCOZZENKRNDK-CYBMUJFWSA-N 294.354 3.556 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)cc1Cl 8936973 OVAKIUASEIQGMM-SVRRBLITSA-N 288.572 3.697 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2OC(F)F)c(C)o1 9314348 OCUPGERDOXVNLF-UHFFFAOYSA-N 281.258 3.750 0 40 CHAB CCC(CC)NCc1ccc(F)c(Br)c1 19884044 CLIDQWFSHFNJCF-UHFFFAOYSA-N 274.177 3.866 0 40 CHAB Clc1ccc(-c2nnc(CN3CCCC3)o2)c(Cl)c1 71824632 VKSQGOIKWDIAHX-UHFFFAOYSA-N 298.173 3.639 0 40 CHAB Cc1nn(C)c(C)c1CCNC1CCC(C(C)(C)C)CC1 97221857 ZGGQUUNAPSQAHM-UHFFFAOYSA-N 291.483 3.774 0 40 CHAB COc1ccc([C@@H]2C[C@H]2C(=O)c2nc3ccccc3[nH]2)cc1 9913686 WWSLKYBYLDZCGQ-UONOGXRCSA-N 292.338 3.558 0 40 CHAB CC(C)[C@H]1CCCN1c1ccnc(-c2ccccc2)n1 75127641 BIRHNBNBTIEXSU-OAHLLOKOSA-N 267.376 3.768 0 40 CHAB Cc1ccc(SCCNC(=O)C[C@H]2C=CCC2)cc1C 39978509 XNVYKZPSYKFDEM-HNNXBMFYSA-N 289.444 3.868 0 40 CHAB CC[C@H](C(=O)c1ccc2c(c1)CCO2)c1ccccc1 34022142 HWACXKKIYQZOIN-INIZCTEOSA-N 266.340 3.998 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2C(=O)c1ccccc1 38955096 IVDVAMTYPIOUEQ-IGCXYCKISA-N 256.345 3.511 0 40 CHAB CCCCNc1ccc([C@H]2CCCN2C(C)C)cn1 72213658 VWWTUUMLHAYQKR-OAHLLOKOSA-N 261.413 3.839 0 40 CHAB FC(F)(Cl)[C@@](F)(Cl)C(F)(Cl)Cl 72265591 BGVZJOTUYBNJDH-PVQJCKRUSA-N 253.837 3.824 0 40 CHAB O=C(c1ccc(F)cc1F)c1ccnc2ccccc12 83314009 VXJVEGSDNYKWHD-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)C(C)C)cc(C)c1Cl 225206964 LLDAMALMRKNICD-STQMWFEESA-N 297.826 3.885 0 40 CHAB Cc1ccc2oc(CCC(=O)NCC3=CCCCC3)nc2c1 224946406 YXKJGGPKWRBTRN-UHFFFAOYSA-N 298.386 3.685 0 40 CHAB CCN(CCNC(=O)c1ccc(C)cc1C)c1ccccc1 225057905 ZVEUPEDGLDUDJE-UHFFFAOYSA-N 296.414 3.560 0 40 CHAB CSc1ccccc1C(=O)NCC1CCCCC1 223453090 NVXXOYLSOLZOJO-UHFFFAOYSA-N 263.406 3.719 0 40 CHAB NCCNc1ccnc2c(Sc3ccccc3)cccc12 222683393 QHKZFAYXFGJOKE-UHFFFAOYSA-N 295.411 3.757 0 40 CHAB COc1cccc(F)c1C(=O)c1cccc(Cl)c1 89064208 HKNZMRZKMOPKFW-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc(C)cc1 95115878 YGLCXAYPUROBHE-INIZCTEOSA-N 284.384 3.754 0 40 CHAB CSc1nnc(CSc2cccs2)s1 96409139 GFYIWQIXRPINRA-UHFFFAOYSA-N 260.434 3.614 0 40 CHAB CCC(=O)c1ccc(Cl)nc1NC(=O)OC(C)(C)C 142174212 NZNGJLNEARYYQS-UHFFFAOYSA-N 284.743 3.675 0 40 CHAB CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccnc(Cl)c2)C1 257247279 IYGYLCMKCHFTFK-LBPRGKRZSA-N 296.798 3.535 0 40 CHAB COc1c(F)cc(F)cc1C(=O)C(Cl)(Cl)Cl 382675870 PWFHNXDSQWOVRN-UHFFFAOYSA-N 289.492 3.526 0 40 CHAB C[C@@H]1CCCN(c2cc(Br)ccc2F)C1 95915596 JWEDCCMYQJFIFK-SECBINFHSA-N 272.161 3.825 0 40 CHAB COc1cc(OC)cc(C(=O)c2cccc(Cl)c2C)c1 95916346 JAGZDRKIJKAKCO-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB O=C(/C=C/c1ccco1)NCCCc1cc2ccccc2o1 390829342 DSVMDDFSUNGXTM-MDZDMXLPSA-N 295.338 3.788 0 40 CHAB Oc1ccccc1NCCCC(F)(F)C(F)(F)F 1083811807 QZWRTFUXIMZENU-UHFFFAOYSA-N 269.213 3.782 0 40 CHAB c1cc2c(s1)CCC[C@H]2NCc1cn2ccsc2n1 95421030 INHINQYZJPGIOD-GFCCVEGCSA-N 289.429 3.625 0 40 CHAB COC(=O)c1cccn1-c1cc(Cl)ccc1Cl 223728099 RTTHPYFSVXLXSC-UHFFFAOYSA-N 270.115 3.571 0 40 CHAB CC(C)NCCC[C@H](C)Nc1cc(O)cc2cccnc12 5421308 BQXVFZVEBYAYEJ-ZDUSSCGKSA-N 287.407 3.519 0 40 CHAB CCc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1 19897684 OHQAXOJVZAFODZ-UHFFFAOYSA-N 275.735 3.860 0 40 CHAB Cc1cccc(Nc2ncnc(C3CCOCC3)c2F)c1 1888853637 YYUBVKXSPCRYOY-UHFFFAOYSA-N 287.338 3.562 0 40 CHAB CC(C)c1ccc(NC(=O)COc2ccccc2)cc1 60013 DNRLQICTDSCQPG-UHFFFAOYSA-N 269.344 3.828 0 40 CHAB Cc1cccc(C(=O)Nc2ccc3scnc3c2)c1 9472037 DRTLFBTZOBQCKI-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB COc1ccc2cccc(NC(=O)c3ccsc3)c2n1 49027961 UQZFQXRZNZJRKE-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB O=C(O)c1ccccc1C(=O)c1ccc2ccccc2c1 1512447 BGLNPRRTOGJLIE-UHFFFAOYSA-N 276.291 3.769 0 40 CHAB CCCCN(CCCC)C(=O)c1cccc(OC)c1 2736414 CLNMKRDBYLYJDD-UHFFFAOYSA-N 263.381 3.738 0 40 CHAB O=C(N1CCCCCC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100992175 PMEODTOCJKYXTB-QBBMROGASA-N 295.854 3.967 0 40 CHAB Fc1cccc(Cl)c1-c1nnc2cccc(Cl)n12 36447 IRQKKVFHJKNTAP-UHFFFAOYSA-N 282.105 3.842 0 40 CHAB c1ccc2c(OCCCCNC[C@@H]3CCCO3)cccc2c1 2591738 GJARMTNGCCGKHM-KRWDZBQOSA-N 299.414 3.767 0 40 CHAB CNc1snc(C)c1C(=O)O[C@H](C)c1ccc(F)cc1 16552711 ZAVVGSFYMBVDOO-SECBINFHSA-N 294.351 3.550 0 40 CHAB CCCNC(=O)Nc1ccc(Nc2ccccc2)cc1 1738248 DBNUNFQYKHCAAU-UHFFFAOYSA-N 269.348 3.962 0 40 CHAB Nc1ccccc1-c1ccc(OC(F)(F)F)cc1 2528993 WARAUTPQCASBTL-UHFFFAOYSA-N 253.223 3.834 0 40 CHAB Nc1sc2c(c1C(=O)c1cccs1)CCCC2 3415970 PLVGUPYLMPDNAR-UHFFFAOYSA-N 263.387 3.502 0 40 CHAB CC(C)c1cc(Br)cc2sc(N)nc12 3676521 UUHTYSXKRHHQAD-UHFFFAOYSA-N 271.183 3.764 0 40 CHAB Cc1ccc(CNC(=O)Cc2c(F)cccc2Cl)cc1 367284 NHGUURVQANWLIO-UHFFFAOYSA-N 291.753 3.646 0 40 CHAB Cn1c(-c2ccccc2)cnc1NCc1ccc(F)cc1F 6609400 VEJUQNQZNDXXDT-UHFFFAOYSA-N 299.324 3.977 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1cc(C)n(C)c1C 8051862 WVRFWVPNLQDNRX-UHFFFAOYSA-N 276.767 3.856 0 40 CHAB CN(C(=O)c1cc(-c2ccccc2)on1)c1ccccc1 23174965 KXRMVIQGSIJOQH-UHFFFAOYSA-N 278.311 3.618 0 40 CHAB CCCC[C@@H](C)NC1CCN(Cc2ccccc2)CC1 34863334 XHOPTTCMNJMEQV-MRXNPFEDSA-N 274.452 3.819 0 40 CHAB CCOC(=O)c1c(N)sc2c1[C@]1(C)CC[C@@H]2C1(C)C 100263263 QDFQSMRKTKDQKA-AYVTZFPOSA-N 279.405 3.682 0 40 CHAB Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2)c(C)o1 12730021 XQPWADHGCOOMAC-INIZCTEOSA-N 269.344 3.874 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 12870331 RRAAGGMITCONSW-UHFFFAOYSA-N 294.354 3.596 0 40 CHAB Cc1ccc(-c2csc3c(=O)n(C)c(=S)[nH]c23)cc1 62591974 IVULOSXKKVSFEM-UHFFFAOYSA-N 288.397 3.633 0 40 CHAB Brc1ccc(-c2nnc(-c3cccs3)o2)o1 6829232 WVTJYPZWDIMRIV-UHFFFAOYSA-N 297.133 3.821 0 40 CHAB Fc1ccc(Cn2c(=S)[nH]c3ccccc32)cc1 5814150 MFJXLODMXNVOMK-UHFFFAOYSA-N 258.321 3.886 0 40 CHAB Cc1cc2nc(N3CCCC[C@H]3C)c3ccccc3n2n1 7779970 AKMDAGFQGTZWED-CYBMUJFWSA-N 280.375 3.570 0 40 CHAB Cc1ccc2nc(CNc3cccc(Cl)c3)cn2c1 7998467 ULEDPIXOGAZIMD-UHFFFAOYSA-N 271.751 3.908 0 40 CHAB C[C@@H](N[C@@H](c1ccccc1)c1ccccn1)c1cccnc1 89910057 TYIPUAYJUVNGSX-BEFAXECRSA-N 289.382 3.917 0 40 CHAB Clc1ccccc1-c1nnc(SC[C@H]2CCOC2)o1 71886812 FUMWVNDCWJQXGP-VIFPVBQESA-N 296.779 3.519 0 40 CHAB CC(C)c1sc(Cl)nc1C(=O)Nc1nccs1 95472748 AQSMXACULILJIP-UHFFFAOYSA-N 287.797 3.629 0 40 CHAB CCOc1cc(Cl)ccc1NC(=O)Nc1cccnc1 79104532 XLFSXEWTTQYZQF-UHFFFAOYSA-N 291.738 3.778 0 40 CHAB CCc1ccc2occ(CC(=O)NC3CCCC3)c2c1 27587474 BUQCDRKHMWZXLK-UHFFFAOYSA-N 271.360 3.597 0 40 CHAB CCCN1C[C@@H](C)[C@](OC(C)=O)(c2ccccc2)C[C@@H]1C 4188676 KOICPRXXJBUEBL-VKJFTORMSA-N 289.419 3.585 0 40 CHAB CCn1c(C)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1C 409018480 WBMZHTWPWIPFCZ-MDWZMJQESA-N 292.404 3.570 0 40 CHAB CCOC(=O)c1ccc2[nH]c(-c3cccc(F)c3)nc2c1 76046769 YBHYOPWHGKFNBJ-UHFFFAOYSA-N 284.290 3.546 0 40 CHAB CCC(CC)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224118711 DPUVANAGZYTHCI-ZDUSSCGKSA-N 289.419 3.638 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCC1=CCCCC1 224618220 KDYXDKDTYUJXEC-QGZVFWFLSA-N 287.403 3.769 0 40 CHAB O=C(/C=C/c1cccs1)Nc1ccc2oc(=O)ccc2c1 75149011 KDKDSVSQLMEULR-FNORWQNLSA-N 297.335 3.506 0 40 CHAB CC(C)n1cc([C@@H](C)NC[C@@H](C)c2ccsc2)cn1 96478882 FJBLTJLVJXQILC-CHWSQXEVSA-N 277.437 3.980 0 40 CHAB CCOCCN[C@H](c1ccccc1)c1ccc(C)cc1 96979504 OAAONTXSSSHNPW-GOSISDBHSA-N 269.388 3.711 0 40 CHAB CCCCOc1ccc(C(C)(C)C)cc1C(=O)O 147062012 SEZXPWMWILGIAT-UHFFFAOYSA-N 250.338 3.861 0 40 CHAB Cc1ccc([C@@H](O)c2cccc(Br)c2)cc1F 95730225 ISIAWCDUWMWLRK-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB C[C@]12CC[C@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@@H]3[C@H]1CC[C@H]2O 257346118 RHVBIEJVJWNXBU-MUDOUTQQSA-N 276.420 3.569 0 40 CHAB Brc1cccc2c(OCC3CC3)ccnc12 685937811 STVFJDPNZAQWEB-UHFFFAOYSA-N 278.149 3.786 0 40 CHAB O=C(N[C@H]1CCCc2occc21)c1c(F)cccc1Cl 69389412 XFMACOKHCPYGSE-LBPRGKRZSA-N 293.725 3.880 0 40 CHAB O=C(O)CC[C@H]1CCCCN1C(=O)C1CCCCCCC1 86578063 FIFMPXJGDSDJNK-OAHLLOKOSA-N 295.423 3.593 0 40 CHAB Clc1nc(Cl)c2c(n1)-c1ccccc1CC2 84123152 LWVLIYHECBKBAE-UHFFFAOYSA-N 251.116 3.549 0 40 CHAB NCCc1nc(-c2ccccc2)c(-c2ccccc2)s1 11757541 ACJSQJOZWQJLHJ-UHFFFAOYSA-N 280.396 3.978 0 40 CHAB CN(C)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1 12359496 WCKQPPQRFNHPRJ-UHFFFAOYSA-N 269.304 3.866 0 40 CHAB CCN(CC)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 6046189 WHDFBRZEVPLTCH-JLHYYAGUSA-N 259.393 3.866 0 40 CHAB CC(C)=CC(=O)N1CCS[C@@H](c2ccccc2C)CC1 219288269 CEBGRZQGTRHTBT-MRXNPFEDSA-N 289.444 3.968 0 40 CHAB COC(=O)CCCCC(=O)c1cc(C)ccc1Cl 575361426 DJGQWSJBNJDZST-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB O=C1c2ccccc2CC[C@H]1CNc1ccccc1 5331838 VGOZDCRWZBBTEI-AWEZNQCLSA-N 251.329 3.544 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NOCc2ccccc2)o1 40012764 MITGEGVKAGHMIW-BBRMVZONSA-N 299.370 3.584 0 40 CHAB C[C@H](NC(=O)CCC1CCCCC1)c1ccccn1 40457496 VJDRYGMHBRSFJL-ZDUSSCGKSA-N 260.381 3.619 0 40 CHAB Cc1ccc2oc(C)c(C(=O)c3ccccc3)c(=O)c2c1 265218 SAFBDXKIQUGGOD-UHFFFAOYSA-N 278.307 3.641 0 40 CHAB O=C(O)CCCCC(=O)c1cccc(C(F)(F)F)c1 2579911 BZEYCGVQYBZOEK-UHFFFAOYSA-N 274.238 3.533 0 40 CHAB O=C(Nc1cccnc1)c1ccc(Cl)c2cccnc12 45871973 XTTGVIJIKBYSRD-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB Cc1ccccc1OCc1nnc(S)n1C1CCCC1 11692629 FYYKLAVTNZCSPW-UHFFFAOYSA-N 289.404 3.569 0 40 CHAB CN(C(=O)c1csc(-c2ccco2)n1)c1ccccc1 29599706 QYKHWMBMSHBTPN-UHFFFAOYSA-N 284.340 3.680 0 40 CHAB O=C1[C@H](CN2CCCCC2)CCC[C@@H]1c1ccccc1 1637849 YZZLWLVHJAYMRB-DLBZAZTESA-N 271.404 3.625 0 40 CHAB C[C@@H]1C[C@@H](C)CN(CCCCOc2ccc(F)cc2)C1 1755858 DLVVQEAVYKASPK-HUUCEWRRSA-N 279.399 3.963 0 40 CHAB Cc1ccc(C)c(NC(=O)CN2CCCc3ccccc32)c1 3537029 UEVKRXRUSYGULO-UHFFFAOYSA-N 294.398 3.695 0 40 CHAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CC=CCC1 21937124 MPQLAOVHVYSCDI-GFCCVEGCSA-N 286.400 3.611 0 40 CHAB O=C(O)c1cc2ccccc2c(Nc2ccc(F)cc2)n1 37373070 PPDUGLFVEMQBGL-UHFFFAOYSA-N 282.274 3.816 0 40 CHAB Cc1cccc(C(=O)NC(=S)Nc2cccc(C)c2C)c1 1003665 BNWYTPHFXDRKNE-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccccc1 23623348 HFOILPRTNRVSDK-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CC(C)C(NC(=O)COc1cccc(Cl)c1)C(C)C 113968837 RCFAHOPHQVPUNM-UHFFFAOYSA-N 283.799 3.516 0 40 CHAB c1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)OCCO2 25259506 WEWFKFBBCLGFDP-QGZVFWFLSA-N 295.382 3.625 0 40 CHAB CCc1nc2ccccc2n1CCOc1ccccc1F 12520505 KZQDBZATKQYNBO-UHFFFAOYSA-N 284.334 3.817 0 40 CHAB Cc1ccc([C@@H](NCc2ccccn2)C2CC2)cc1 35257381 YNCHBOPMVWIFHC-QGZVFWFLSA-N 252.361 3.631 0 40 CHAB O=C1c2ccccc2-c2cccc(Br)c21 1714601 YOXUOHDHFCBGHY-UHFFFAOYSA-N 259.102 3.661 0 40 CHAB Cc1noc(C)c1CN1CCC[C@H]1c1cccs1 44871235 BJLCPHUITFRCGN-ZDUSSCGKSA-N 262.378 3.690 0 40 CHAB CC(C)[C@H](CNC(=O)/C=C/c1cccnc1)c1ccccc1 27632300 SNISPYIWSDPXBL-ZGKFYVQTSA-N 294.398 3.651 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)NCCC2=CCCCC2)c1 12859813 IBOYOKKNQRIFGZ-OAHLLOKOSA-N 287.403 3.769 0 40 CHAB COc1ccc(NC(=O)Cc2ccsc2)cc1Cl 13137639 XXJRQLVKGKYRCQ-UHFFFAOYSA-N 281.764 3.591 0 40 CHAB CCc1nc(COc2ccc(Cl)c(Cl)c2)no1 59962079 KRRPKUJHYRKQES-UHFFFAOYSA-N 273.119 3.518 0 40 CHAB COc1cc(O)cc(-c2cc3c(OC)c(O)ccc3o2)c1 13340099 KOGQJESJCMFQBX-UHFFFAOYSA-N 286.283 3.528 0 40 CHAB biogenic O=C(Nc1ccc(OC(F)F)cc1)c1ccc[nH]c1=S 14075894 JXWCWLZDAOBSRB-UHFFFAOYSA-N 296.298 3.598 0 40 CHAB O=C(CCc1cccs1)Nc1ccc(Cl)cc1 4540151 AOENJIQWTPGWHH-UHFFFAOYSA-N 265.765 3.973 0 40 CHAB Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)nc1 8724691 AHLMPHIHFJHWHF-UHFFFAOYSA-N 294.276 3.590 0 40 CHAB Cc1cc(C)cc(OCc2cccc(C(=O)O)c2)c1 8729642 DRMVOCWMDAPTSA-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB O=C(CSc1ccccc1)Nc1cccc2cccnc12 5775103 JJGGJMRGZDJLBR-UHFFFAOYSA-N 294.379 3.966 0 40 CHAB Cc1cccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)c1 6811232 QRTZZMRBVTUVHL-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1 7886416 NTOCTBPOLIYTBS-MRXNPFEDSA-N 266.344 3.663 0 40 CHAB C[C@@H](CCO)CNC(=O)N(c1ccccc1)c1ccccc1 96007720 OHGQWXUUFJUCEO-HNNXBMFYSA-N 298.386 3.553 0 40 CHAB O=C(NCc1ccco1)C1(c2cccc(F)c2)CCCC1 9613728 NJVOARLKPZWCLR-UHFFFAOYSA-N 287.334 3.547 0 40 CHAB Cc1ccccc1C1CC(N[C@H](C)C(C)(C)CN(C)C)C1 97377087 FAWUPOKXOMRNBH-KLAILNCOSA-N 288.479 3.807 0 40 CHAB O=C(C1=COCCC1)N1CCCC[C@H]1CCc1ccccc1 95444940 BGRINNNIYRLNRC-SFHVURJKSA-N 299.414 3.695 0 40 CHAB Cc1cnc(CCN[C@@H](C)CSC(C)(C)C)s1 95968535 DUSPYZFAUPMZNQ-JTQLQIEISA-N 272.483 3.504 0 40 CHAB C/C(=C\c1ccccc1OC(=O)c1cccc(C)c1)[N+](=O)[O-] 408528056 QQCHREYNZPBRSJ-ACCUITESSA-N 297.310 3.852 0 40 CHAB CC[C@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O 5599377 ZPNYHQZRGWFLST-CYBMUJFWSA-N 296.322 3.746 0 40 CHAB biogenic,world Cc1ccc(C(=O)Oc2c(C)cc(C=O)cc2C)cc1 216727129 AUWDWLVVJJXGAW-UHFFFAOYSA-N 268.312 3.644 0 40 CHAB C[C@H](Cc1cccs1)NC(=O)CCCc1ccccc1 38565777 GIUQUNQCTVRULA-CQSZACIVSA-N 287.428 3.818 0 40 CHAB Cc1cc(N2CCCC2)ncc1SC(C)(C)C 72223487 QEOVDUJSRKNBSP-UHFFFAOYSA-N 250.411 3.881 0 40 CHAB CCOc1ccc(NC(=O)C(C)(C)C)cc1Cl 46667968 BERXOQRIAOKDEQ-UHFFFAOYSA-N 255.745 3.723 0 40 CHAB CCOC(=O)c1ccc(-c2cccc(Cl)c2)o1 44200614 PBCSGPCJKCTTTE-UHFFFAOYSA-N 250.681 3.777 0 40 CHAB O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1 32101425 ICZCVNKBOUUEHQ-UHFFFAOYSA-N 298.773 3.611 0 40 CHAB O=C1CCCC[C@@H]1Cc1cccc(Br)c1 41384416 UEMKQMFYDBGWGW-LLVKDONJSA-N 267.166 3.751 0 40 CHAB Cc1cccc(O[C@H](Cc2c(C)cc(C)cc2C)C(=O)O)c1 225135735 GRRHHEXEOSHISW-GOSISDBHSA-N 298.382 3.995 0 40 CHAB CC(C)c1cc(Br)ccc1OC[C@@H]1CCNC1 42770432 NKHGIBJNKQSKPE-LLVKDONJSA-N 298.224 3.561 0 40 CHAB Cc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1F 41091254 HSIQFIMGMGKLBX-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Cc1ccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)c(C)c1 225026405 HHKZSCIBYQUUCC-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CC(C)=CCC[C@H](C)N[C@H]1CCO[C@]2(CCSC2)C1 90542094 HXNWWUFIHQQJDH-HRCADAONSA-N 283.481 3.766 0 40 CHAB CCOC(=O)[C@@H](c1ccc2ccccc2c1)[C@@H]1CCCCN1 606451962 OTQVTBPHZRARTL-ROUUACIJSA-N 297.398 3.629 0 40 CHAB CCc1ccc(C(=O)c2ccc(N(C)C)cc2)cc1 95916922 JHKHVHCNYMNKKG-UHFFFAOYSA-N 253.345 3.546 0 40 CHAB CCN(CC)c1ccc(Br)cc1Cl 95915805 JLBCGOQDAPQGMZ-UHFFFAOYSA-N 262.578 3.949 0 40 CHAB O=C(c1cc(Cl)ccc1F)N1CCc2ccccc2C1 14876768 PLJMUFTXISEVPM-UHFFFAOYSA-N 289.737 3.678 0 40 CHAB CC(C)[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(F)cc1 67816329 QECGDRKVKPHXAD-STQMWFEESA-N 265.372 3.555 0 40 CHAB C[C@H](NC(=O)c1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102181836 QZSIDWSBUWMMLM-ZJQBRPOHSA-N 277.795 3.895 0 40 CHAB CCOc1ccc([C@H](C)NC(=O)Cc2cccs2)cc1 12977887 MLTSHTDGBIXSLH-LBPRGKRZSA-N 289.400 3.567 0 40 CHAB Cc1ccccc1C1=N/C(=C\c2ccccc2Cl)C(=O)N1 16362637 YWJLXNLZTUZWLK-GDNBJRDFSA-N 296.757 3.566 0 40 CHAB Cc1cc([C@@H]2CCCCCN2Cc2ccco2)no1 19119462 WFLBWGURYNOEAS-HNNXBMFYSA-N 260.337 3.693 0 40 CHAB F[B-]1(F)n2cccc2C(C2CCCCC2)=C2C=CC=[N+]21 604221824 SWVOXFCRQVIKLG-UHFFFAOYSA-N 274.123 3.669 0 40 CHAB CCCOc1c(Cl)cc(C(=O)OCC)cc1Cl 2383546 BAPOVASVXQHTOO-UHFFFAOYSA-N 277.147 3.959 0 40 CHAB CCN(CC)C[C@H](O)c1ccc(-c2ccccc2)cc1 6382423 FHDDQQUQUTVHET-SFHVURJKSA-N 269.388 3.729 0 40 CHAB CN(CCc1ccccc1)Cc1ccc(Br)o1 23282006 RCMOMVQOLJMNIS-UHFFFAOYSA-N 294.192 3.717 0 40 CHAB COc1cccc(NC(=O)c2ccc3ncsc3c2)c1 4088446 HNWNVYOYZLROKJ-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB O=C(Cc1ccccc1)c1cccc(OC(F)F)c1 38127062 FBRJIWULVKBSNB-UHFFFAOYSA-N 262.255 3.713 0 40 CHAB Cc1cc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2[nH]1 40072706 HCCFOAOQTNXDBQ-UHFFFAOYSA-N 293.370 3.795 0 40 CHAB CCC[C@]1(CC)N=C(S)N(c2ccc(C)c(C)c2)N1 2592838 RDYHCDWRVZDVFQ-OAHLLOKOSA-N 277.437 3.820 0 40 CHAB Cc1ccsc1CNC(=O)Cc1c(F)cccc1Cl 29235227 KAAWIWMNVORSMD-UHFFFAOYSA-N 297.782 3.708 0 40 CHAB O[C@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl 1640854 LQAPSMWXDFJNGU-SSDOTTSWSA-N 259.947 3.744 0 40 CHAB Cc1ccc(-c2[nH]c(=O)nc3ccc(Cl)cc23)cc1 341006 QWVREEYZYMZKAA-UHFFFAOYSA-N 270.719 3.552 0 40 CHAB CC(=O)Nc1cccc(NC(=S)Nc2ccc(C)cc2)c1 6966308 FCIGIIUIKLVSBM-UHFFFAOYSA-N 299.399 3.762 0 40 CHAB O=C(Nc1cccc(OC2CCCC2)c1)c1ccccn1 32769531 PCVFLVMQXWVOKJ-UHFFFAOYSA-N 282.343 3.655 0 40 CHAB CCc1cccc(C)c1Nc1nc(C)nc2c1CCC2 11907767 VCRXXLUJQZMRST-UHFFFAOYSA-N 267.376 3.888 0 40 CHAB CN(Cc1ccsc1)C(=O)N[C@@H]1CCc2ccccc21 32802493 RWPUADLEIYABJP-OAHLLOKOSA-N 286.400 3.577 0 40 CHAB C[C@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 535973 OGFSYHVSOUTFKT-JTQLQIEISA-N 299.761 3.707 0 40 CHAB CCOC(=O)/C=C(\Nc1ccccc1)c1ccccc1 104095433 NYXATQKDISMJBK-SSZFMOIBSA-N 267.328 3.703 0 40 CHAB Cc1noc(C2CCN([C@H](C)CCc3ccccc3)CC2)n1 53618220 WXSYJTKNJBAICT-CQSZACIVSA-N 299.418 3.579 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCSCC1 1002468 FIJLSHXRCKBTCE-UHFFFAOYSA-N 291.203 3.574 0 40 CHAB Clc1cccc2c(C3=N[C@@H]4C=NN=C4S3)cccc12 100011987 MUBXSBHXHFNUDO-GFCCVEGCSA-N 285.759 3.753 0 40 CHAB COc1ccc(N[C@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 102917076 KFKLIBAWHRUNOV-VBQJREDUSA-N 273.376 3.501 0 40 CHAB CC(C)CN(C(=O)Nc1ccc2c(c1)CCC2)C1CC1 43389549 XWMBXGWBNIIIHZ-UHFFFAOYSA-N 272.392 3.828 0 40 CHAB CCc1ccc(C(=O)N2CCc3sccc3[C@H]2C)o1 24916532 KQKNEQRXJDDBLT-SNVBAGLBSA-N 275.373 3.663 0 40 CHAB C[C@H](Cc1ccco1)NCc1cccc2cccnc12 35254569 XHUKWXHNXCKBQS-CYBMUJFWSA-N 266.344 3.549 0 40 CHAB Cc1ccccc1[C@@H](OCCNCl)c1ccccc1 22054728 SLDYVEHGFAQANJ-INIZCTEOSA-N 275.779 3.844 0 40 CHAB in-vitro c1ccc(-c2csc(CN[C@@H]3CCN(C4CC4)C3)c2)cc1 44687556 PRAVSULXWQNCRH-MRXNPFEDSA-N 298.455 3.741 0 40 CHAB COc1ccccc1NC(=O)c1cc(C)sc1C 10023651 XHOIHXYCQVJSNG-UHFFFAOYSA-N 261.346 3.626 0 40 CHAB Cc1cccc(C(=O)NC[C@@H](C)c2ccccc2)c1 23080268 GPCVQNGCFUINMB-CQSZACIVSA-N 253.345 3.529 0 40 CHAB Cc1ccccc1C(=O)NCc1coc(-c2cccs2)n1 10875392 SGXNSAWLQNRNIW-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB O=C(/C=C/c1ccc2ccccc2n1)NCc1ccccc1 13140944 BFYJEYQGSKYJKH-OUKQBFOZSA-N 288.350 3.564 0 40 CHAB O=C(NC1CCCCCCC1)c1c(O)cc(F)cc1F 49446514 QYTUCALMHCGHCO-UHFFFAOYSA-N 283.318 3.513 0 40 CHAB Cc1ccc(CC(=O)N(Cc2ccccc2)C(C)C)cc1 6478878 WYIVAPAAFNISFI-UHFFFAOYSA-N 281.399 3.975 0 40 CHAB Cc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 6450941 VSDGPBICZMJAHK-UHFFFAOYSA-N 254.264 3.851 0 40 CHAB Cc1ccc(CC(=O)N[C@@H](C)c2ccccc2C)cc1 14170221 XFUADAJMGWBZAF-HNNXBMFYSA-N 267.372 3.723 0 40 CHAB CC1CCN(C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 4723261 IVIGFDJXCVSDLP-SJLPKXTDSA-N 278.484 3.761 0 40 CHAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(C)on1 8851704 GWWWMJIQUYZFNV-SNVBAGLBSA-N 258.321 3.749 0 40 CHAB CCc1c(C)nc2ccc(C)cc2c1SCCC(=O)O 4834644 LKDZNWCCQLSKDX-UHFFFAOYSA-N 289.400 3.981 0 40 CHAB O=C(c1ccc(F)cc1)N(Cc1ccco1)c1ccccn1 15669840 LMHVNAGESLJENZ-UHFFFAOYSA-N 296.301 3.661 0 40 CHAB COc1ccc(C)cc1[C@H](C)Nc1cnn(CC(F)F)c1 97038034 IJTWAYIRUIWMJO-NSHDSACASA-N 295.333 3.638 0 40 CHAB CCOc1cccc(C[S@](=O)[C@H](C)c2cccs2)n1 97085326 XVXFOBQVAHRAOD-NSPYISDASA-N 295.429 3.552 0 40 CHAB CCS[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H](C)c2ccco2)C1 76478022 AOWGHTKGXOJVSR-YNEHKIRRSA-N 296.436 3.656 0 40 CHAB Cc1cc(F)cc(NC(=O)Nc2ccc(F)cc2)c1 95535238 NMTBCKRNVQEHGQ-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB C[C@H]1CCCCN1C(=O)Nc1nc2ccccc2s1 9961785 LOAHYUVBNOGPGG-JTQLQIEISA-N 275.377 3.703 0 40 CHAB CC(C)c1noc(CCN[C@H](C)c2cccc(Cl)c2)n1 89577911 GNEPOBSASDPYIK-LLVKDONJSA-N 293.798 3.740 0 40 CHAB Fc1ccc(Oc2cncc(Br)c2)cc1 64034390 LQIPCSLRLAZMBI-UHFFFAOYSA-N 268.085 3.776 0 40 CHAB CCCCNC(=O)[C@H](CC)Oc1cccc2ccccc12 38754525 SYBWCEQBWOHCLS-INIZCTEOSA-N 285.387 3.914 0 40 CHAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCCN1CC 72213421 XBZOOGRKJNEXNL-HIFRSBDPSA-N 261.413 3.839 0 40 CHAB CC[C@H](C)NC(=O)Nc1ccccc1SC(F)F 43552859 UPPUWJPGROWZMA-QMMMGPOBSA-N 274.336 3.921 0 40 CHAB Cc1cc(OC[C@H]2CCNC2)c(Cl)c(C)c1Cl 42773721 FNHFWHBWYGFVLF-JTQLQIEISA-N 274.191 3.599 0 40 CHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225612727 RVPWDKRLPCNTKV-QGZVFWFLSA-N 293.407 3.926 0 40 CHAB CCCCn1c(Cc2ccccc2)ccc1C(=O)O 226027717 XDYNNZVYHCFRPH-UHFFFAOYSA-N 257.333 3.577 0 40 CHAB CC(C)(C)OC(=O)NCc1cccc(C(F)(F)F)c1 82608745 NVCHJVNKSNAHKP-UHFFFAOYSA-N 275.270 3.730 0 40 CHAB Cc1cc(Br)ccc1C(=O)CCCCC(=O)O 43214134 PAWGPSUTOOCDQN-UHFFFAOYSA-N 299.164 3.585 0 40 CHAB Cc1ccccc1C(=O)NCc1ccnc(-c2ccco2)c1 225654107 WJCRZOXWDAKAGJ-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB CCCCNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 223086120 AAPNBXKBAWAFOG-KRWDZBQOSA-N 289.419 3.639 0 40 CHAB CCCCn1c(C)c(CN)c2cc(OC(C)C)ccc21 223756408 FFSYMLNQGNSAGH-UHFFFAOYSA-N 274.408 3.996 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223216179 GORYXHMCHMPDHD-OAHLLOKOSA-N 293.410 3.904 0 40 CHAB CCOc1ccc(CNc2ccn([C@@H](C)CC)n2)cc1 256051493 JJFCLPUSJZUIHP-ZDUSSCGKSA-N 273.380 3.865 0 40 CHAB Cc1cccc(CN2CCc3ccccc3CC2)c1 84210719 MKNKSDIJIPQKDM-UHFFFAOYSA-N 251.373 3.596 0 40 CHAB Cc1cnc([C@@H](C)N[C@H](C)Cc2ccsc2)s1 96479078 GYLBFPCIJHFZGC-MWLCHTKSSA-N 266.435 3.795 0 40 CHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC2CCCCC2)CC1 100809744 HRKOJZMZCVJXFY-GASCZTMLSA-N 296.455 3.745 0 40 CHAB CC[C@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 51678 PELDFWBVLFWHIS-HNNXBMFYSA-N 294.826 3.933 0 40 CHAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(F)cc1F 16385292 JUUNWPZYETWKBU-HBNTYKKESA-N 280.318 3.523 0 40 CHAB Cc1ccc(/N=c2/[nH]c(=O)cc(-c3ccccc3)s2)cc1 6256063 ZULPKGYNWPIXNU-UHFFFAOYSA-N 294.379 3.644 0 40 CHAB Cc1cc(OCc2nc3ccccc3nc2C)ccc1O 6281258 NDLDRZZPTSSZGW-UHFFFAOYSA-N 280.327 3.531 0 40 CHAB Clc1ccc2oc(N3C[C@@H]4CCC[C@H]4C3)nc2c1 1889119578 MVCITRUBETZKFP-UWVGGRQHSA-N 262.740 3.718 0 40 CHAB Cc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 1858217 DKURUAXQACORJX-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 10217186 ILDHQSKLLCYUAF-UHFFFAOYSA-N 296.351 3.751 0 40 CHAB CC[C@@H](C)NC(=O)C1c2ccccc2Oc2ccccc21 30234 YGDBKTGSMJVKKZ-GFCCVEGCSA-N 281.355 3.839 0 40 CHAB Cc1noc(C)c1CN(C)[C@H](C)c1ccc(F)cc1 40475896 QBFHSGMNOMHMJM-LLVKDONJSA-N 262.328 3.624 0 40 CHAB O=C1O[C@H](Nc2cccc(C(F)(F)F)c2)c2ccccc21 100158 RIEMQIBCJUVPFC-ZDUSSCGKSA-N 293.244 3.987 0 40 CHAB CC(=O)c1cc(C)ccc1OC(=O)c1cccc(F)c1 265324 YLCBTHZLMSNRHZ-UHFFFAOYSA-N 272.275 3.556 0 40 CHAB C[C@H](O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 383808 AQGHTNGZVGYORU-JTQLQIEISA-N 275.735 3.646 0 40 CHAB C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O 36965565 XQNVKJQDDKBJFO-MRVPVSSYSA-N 297.763 3.701 0 40 CHAB in-vitro Nc1nc(-c2ccccc2)cc(-c2cc(Cl)ccc2O)n1 1616392 DYNWHSRNFPBNHN-UHFFFAOYSA-N 297.745 3.752 0 40 CHAB CC1(C)C[C@](O)(Cc2ccccc2)[C@@](C)(O)c2ccccc21 1744850 PCXPIXWGOMLLDR-VQTJNVASSA-N 296.410 3.549 0 40 CHAB Cc1noc(C)c1CN1CCC[C@H]1CCc1ccccc1 52106043 XTNPHRQYYINREA-KRWDZBQOSA-N 284.403 3.889 0 40 CHAB COc1ccc(CCC(=O)Nc2cccc(C)c2)cc1OC 8206309 IPRWVQFURLBBNU-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB CCSc1nnc(-c2cccc(Cl)c2)n1CC 574233 FVEGHVZPQJMYMY-UHFFFAOYSA-N 267.785 3.730 0 40 CHAB Cc1ccc(CNCc2ccc(F)c(F)c2)cc1F 70160141 NFDKKFCQYCEGHD-UHFFFAOYSA-N 265.278 3.702 0 40 CHAB Cc1ccsc1C(=O)N1CCC[C@@H](c2nccs2)C1 171646458 STAZBJKXOHEBCM-LLVKDONJSA-N 292.429 3.533 0 40 CHAB Cc1ccc(C)c(CC(=O)N2CCCc3ccccc32)c1 10701081 LWKBSQCYGVVPOZ-UHFFFAOYSA-N 279.383 3.825 0 40 CHAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccccn1 12686671 UOSATCITJDIWMN-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB Cc1ccccc1CSCC(=O)N(C)C1CCCC1 20484085 AIOSLSBZMJAZQC-UHFFFAOYSA-N 277.433 3.629 0 40 CHAB CC(C)CCN(CCC(C)C)C(=O)COc1ccccc1 3303319 IUGHFGAVOZWKOG-UHFFFAOYSA-N 291.435 3.986 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)c1ccccc1Cl 10663725 WVGFUWVLTRZFCM-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccccc1F 11202442 UTNKMZGNGCBXRG-MRXNPFEDSA-N 269.319 3.707 0 40 CHAB CCCCNC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 12813427 DGPFMNOIHWUXPW-CYBMUJFWSA-N 285.387 3.868 0 40 CHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 3611903 CXTUVZCCABVRBR-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1Cc1cn2cc(Cl)ccc2n1 5072463 GCTZSZZKSHJBJN-VXGBXAGGSA-N 277.799 3.751 0 40 CHAB COc1ccc2nc(SCc3csc(C)n3)[nH]c2c1 4252476 VHJIYDGNLGOBOU-UHFFFAOYSA-N 291.401 3.629 0 40 CHAB O=C(c1ccc(Cl)c(Cl)c1)n1ccc(C2CC2)n1 6240410 DQKNAVMFLKMEPO-UHFFFAOYSA-N 281.142 3.756 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 14796092 FXTYERNRPLSHDP-AWEZNQCLSA-N 292.382 3.919 0 40 CHAB O=C/C=C/C1=C2O[C@@H]3C=CC=CC3=C[C@@H]2c2ccccc21 5783183 LBAQLBKGECJMFD-JRFZXPOESA-N 274.319 3.701 0 40 CHAB Cc1ccc(C)c(N[C@H](C)C(=O)Nc2ccccc2)c1 7041988 ABWIXBRNEMKKKI-CQSZACIVSA-N 268.360 3.743 0 40 CHAB O=C(c1cc(F)ccc1F)c1ccnc2ccccc12 83313976 LCNWWMXOYQDOGQ-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB CC/C=C(\C)C(=O)Nc1ccc(NC(=O)CC)c(C)c1 96307232 JREATVFPSXUQGP-YRNVUSSQSA-N 274.364 3.638 0 40 CHAB c1ccc2c(c1)CCCN2CCc1ccc2c(c1)CCO2 72304853 PTIGCIJZGXBZFP-UHFFFAOYSA-N 279.383 3.617 0 40 CHAB CC(C)N(C)C(=O)N[C@H](C)c1cc2ccccc2o1 86359570 JIDSZWVOIYQNSV-LLVKDONJSA-N 260.337 3.544 0 40 CHAB O=C([C@@H]1CCCS1)N1CCCCC[C@H]1c1ccco1 75201193 LFNWZZIGPMXOHY-JSGCOSHPSA-N 279.405 3.619 0 40 CHAB O=C(NC1CC1)c1ccc(CSc2ccccc2)cc1 24605958 CERNPSLCWLSTJA-UHFFFAOYSA-N 283.396 3.871 0 40 CHAB c1ccc(-n2ncc(-c3nc4ccccc4s3)n2)cc1 32891477 VNJCQAFNESKQDV-UHFFFAOYSA-N 278.340 3.544 0 40 CHAB Oc1ccc(O)c(-c2c[nH]nc2-c2ccc(Cl)cc2)c1 524734401 BIHVNIGZPDLGJS-UHFFFAOYSA-N 286.718 3.808 0 40 CHAB Cc1cc(C)cc(OCCNC(=O)Nc2ccccc2)c1 38901155 ZHTNBZFRGQOTDU-UHFFFAOYSA-N 284.359 3.504 0 40 CHAB Oc1cccc(-c2nccn2CCc2cccs2)c1 71681278 MKLUXQNJTQJBHY-UHFFFAOYSA-N 270.357 3.560 0 40 CHAB Nc1ccc2nc(-c3cc(Cl)cc(Cl)c3N)oc2c1 45919885 GIKNPRASJVATLT-UHFFFAOYSA-N 294.141 3.966 0 40 CHAB Cc1ccnc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 225462785 IRZZKCAJYHGGNF-OAHLLOKOSA-N 297.427 3.754 0 40 CHAB O=C(NCCc1ccccc1)Nc1ccc(F)cc1Cl 40097498 PIZFWKIWGMVPPY-UHFFFAOYSA-N 292.741 3.843 0 40 CHAB COC(=O)C(C)(C)N1c2ccc(C)cc2C(C)=CC1(C)C 223205616 FQBOCEJXSNPLCN-UHFFFAOYSA-N 287.403 3.949 0 40 CHAB CCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C 225651505 VMZONOYQCOSDLM-MRXNPFEDSA-N 279.380 3.537 0 40 CHAB CC[C@@H](C)N1C(=O)CC[C@@H]1c1c(C)n(C)c2ccccc12 85430340 LTGOYYRQYNHPNS-MLGOLLRUSA-N 284.403 3.949 0 40 CHAB CCN(CC)P(C[Si](C)(C)C)N(CC)CC 196947323 PYOHEPVNVYAOJQ-UHFFFAOYSA-N 262.454 3.859 0 40 CHAB CCn1ccnc1-c1cccc(NCc2cscn2)c1 96482944 DDKNYSJZDFEHQB-UHFFFAOYSA-N 284.388 3.639 0 40 CHAB O=C(OCC=C1CCCCC1)c1coc(-c2cccnc2)n1 1526612233 OWBRUBCSJXKVKS-UHFFFAOYSA-N 298.342 3.784 0 40 CHAB C[C@H](Oc1ccc2c(c1)CCCC2=O)c1nc(C2CC2)no1 69488537 ALVWKBOVHDKBSS-JTQLQIEISA-N 298.342 3.606 0 40 CHAB CC/C=C(\C)C(=O)N[C@H](C)c1cc(C)sc1C 97086663 VATMLERPFKYNQL-MXMFLMJRSA-N 251.395 3.898 0 40 CHAB CCOC(=O)Cc1csc(Nc2ccc(C)cc2C)n1 6870088 JQSOUWIMBOZTRI-UHFFFAOYSA-N 290.388 3.609 0 40 CHAB O=C(Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1 12020385 PRSDTRITFXRYGO-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB Cc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)o1 13013161 AJINEUORKFWSTM-BZYZDCJZSA-N 267.328 3.579 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1C 13582222 IISCGTQNNIDBMP-AWEZNQCLSA-N 283.371 3.885 0 40 CHAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1C 13582344 KKSNXWZBHDSMAP-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB CCC[C@@H](C)NC(=O)c1cc2ccccc2cc1OC 15652982 DFOJUCJXZLURIB-GFCCVEGCSA-N 271.360 3.767 0 40 CHAB Cc1cccc(CSc2nncn2-c2ccccc2)c1 17008657 CGCVMSMFCBUYCR-UHFFFAOYSA-N 281.384 3.868 0 40 CHAB Cc1cc2cc(NC(=O)c3cc(C4CC4)n[nH]3)ccc2o1 19126547 WTVJAJQJETVDFR-UHFFFAOYSA-N 281.315 3.594 0 40 CHAB Cc1cc(C)cc(N[C@@H](C(=O)O)c2cccs2)c1 4244780 VRDPJSBFEWPVRJ-CYBMUJFWSA-N 261.346 3.603 0 40 CHAB O=C(Nc1n[nH]c2cc(Cl)ccc12)c1cccs1 5614237 QRUMCIZXFCVYTO-UHFFFAOYSA-N 277.736 3.530 0 40 CHAB COc1ccc(Nc2cc(C(F)F)nc(C)n2)c(C)c1 1888879532 IVSLTJVDMDWREV-UHFFFAOYSA-N 279.290 3.783 0 40 CHAB O=C(CCC1CCCCC1)N1CCc2ccccc2C1 6341692 WAIPICDJJALPHB-UHFFFAOYSA-N 271.404 3.932 0 40 CHAB COc1cccc(C(=O)Oc2cccc3ccc(C)nc23)c1 196440 FOMCZDMGMFDPKQ-UHFFFAOYSA-N 293.322 3.771 0 40 CHAB Cc1cc(NC(=O)N[C@@H](C)c2cc(C)sc2C)no1 31662809 SAKIEZBLSASFLC-VIFPVBQESA-N 279.365 3.544 0 40 CHAB O=c1cc(Nc2ccc(F)cc2)c2ccccc2o1 102945 KRDCCONXDWSSSL-UHFFFAOYSA-N 255.248 3.676 0 40 CHAB O=C(Nc1nnc(C2CCCC2)s1)c1ccc(F)cc1 412264 XOPMGWOKAXXZNX-UHFFFAOYSA-N 291.351 3.587 0 40 CHAB CN(Cc1nc(C2CC2)no1)c1ccc2ccccc2c1 29378455 JTZIKJZMGHQCEY-UHFFFAOYSA-N 279.343 3.737 0 40 CHAB CC1=CC[C@@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3[C@@H]2C1 2132617 WWIMATJEWPNNPT-HDMKZQKVSA-N 292.382 3.580 0 40 CHAB biogenic Cc1ccccc1NC(=O)c1cn(C)c2ccccc12 7914845 LRAVVHNMOUXMNX-UHFFFAOYSA-N 264.328 3.739 0 40 CHAB O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@H]2CCCC[C@H]21 4973161 XPEXSNWCIABHIG-ZHAHWJHGSA-N 273.159 3.978 0 40 CHAB CCOc1ccc(/C=N/c2ccccc2)cc1C(=O)O 6963942 OIVBRSHUDCPAEE-GZTJUZNOSA-N 269.300 3.534 0 40 CHAB CCCCOc1cccc(C(=O)NCc2ccccc2)c1 8564376 KHQPOASGAYKCCT-UHFFFAOYSA-N 283.371 3.796 0 40 CHAB C[C@@H](NC(=O)c1ccc[nH]c1=S)c1ccccc1Cl 9996142 BLKYHIDTMIPFLW-SECBINFHSA-N 292.791 3.889 0 40 CHAB O=C(c1cc(Cl)c(Cl)c(Cl)c1)N1CCCC1 59842913 NJXPQSZJHYQQIC-UHFFFAOYSA-N 278.566 3.883 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 12274398 NQGIDSFQLAUVFJ-UHFFFAOYSA-N 295.363 3.822 0 40 CHAB Cc1cc2c(nc1C)sc1c(N3CCCCC3)ncnc12 12391253 NICXBTCXDRIIFW-UHFFFAOYSA-N 298.415 3.847 0 40 CHAB CCOC(=O)/C(F)=C(\F)c1ccc(C(F)(F)F)cc1 26897075 IUKUWNWGZWMHLX-MDZDMXLPSA-N 280.192 3.876 0 40 CHAB O=C(Nc1cccc2cn[nH]c12)c1csc2c1CCCC2 25585154 KCOXJLAXJIQTMF-UHFFFAOYSA-N 297.383 3.756 0 40 CHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccnc1 59477530 FJWHNDJAPYDGKG-PKNBQFBNSA-N 290.322 3.994 0 40 CHAB Cn1ccnc1SCCOc1ccc2ccccc2c1 47438566 NYAYLXUTFOAXIF-UHFFFAOYSA-N 284.384 3.744 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(Cl)c(N)c1 20193788 NPSIVQCXJTZGQZ-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB CCCCOC(=O)c1ccc(NC(=O)CCCC)cc1 3155980 GDYHDJHUYSZNDK-UHFFFAOYSA-N 277.364 3.772 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1)c1ccc(F)cc1F 8101658 WCJQWCXHHXQDCT-LBPRGKRZSA-N 289.325 3.775 0 40 CHAB CC(C)(C)N1CO[C@@H](c2cc(Cl)c(N)c(Cl)c2)C1 21983047 XJOOPZUCOGIFIX-LLVKDONJSA-N 289.206 3.705 0 40 CHAB Cc1ccc(NC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1F 13320305 QHQLUVUFCQOICW-RYUDHWBXSA-N 264.344 3.929 0 40 CHAB O=C(O)[C@@H](NC1CCCCC1)C12CC3CC(CC(C3)C1)C2 5258373 SIRUTLOZYMOSPN-JKJYUFNASA-N 291.435 3.578 0 40 CHAB CN(C(=O)c1cc2ccccc2o1)c1ccccc1 7613774 TVOKRSWUFQOCMG-UHFFFAOYSA-N 251.285 3.709 0 40 CHAB Nc1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc23)nc1 72149719 QDCQAHYYNCWGIQ-UHFFFAOYSA-N 293.374 3.562 0 40 CHAB CC[C@@]1(C(=O)O)CCCN(Cc2cccc(C3CC3)c2)C1 94525603 RNSGFRTWCPKFKW-GOSISDBHSA-N 287.403 3.641 0 40 CHAB COc1ccc(-c2cnc(Cn3ccnc3C(C)C)o2)cc1 97053365 NXWLIAUQQNAWCA-UHFFFAOYSA-N 297.358 3.718 0 40 CHAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(SC(F)F)cc1 95450954 WEYIFIHHUHNDFE-GMXVVIOVSA-N 299.386 3.589 0 40 CHAB Nc1ccccc1-c1nc(C2C3CC4CC(C3)CC2C4)n[nH]1 95946457 HBZPOBBGPREHTA-UHFFFAOYSA-N 294.402 3.594 0 40 CHAB Clc1nc2ccccc2nc1NCc1ccccc1 32647171 RLTZIXDRQDJVBZ-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB CC(C)c1nn(-c2ccccc2F)c(Cl)c1C=O 36905273 AJKWEHGAJASCDG-UHFFFAOYSA-N 266.703 3.601 0 40 CHAB COc1ccccc1C(=O)N[C@@H](C)c1ccc(C)cc1C 30871537 XMTGACVNSKWMLY-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB C[C@H]1CCCN(c2cc(N)cc(C(F)(F)F)c2)C1 228919720 TWARMSUKHAGDJO-VIFPVBQESA-N 258.287 3.524 0 40 CHAB Brc1ccc2c(c1)CCC(N1CCCC1)=C2 45328520 OHXASHBAWOZUNU-UHFFFAOYSA-N 278.193 3.832 0 40 CHAB Cc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)O)cc1 225019827 MJRCEDVFHDGRPA-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Cn1c2ccccc2n2c(SCc3ccccc3)nnc12 80305495 UWGDSGJFMASRMM-UHFFFAOYSA-N 294.383 3.513 0 40 CHAB Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)c(C)n1C1CC1 40015960 HMDTYKHNRWTQQN-GOSISDBHSA-N 294.398 3.857 0 40 CHAB CC(C)c1ccc([S@](=O)Cc2ccccn2)cc1 195579580 OLRVWZAUKIACNS-GOSISDBHSA-N 259.374 3.513 0 40 CHAB CCOC(=O)c1nc2c(F)cccc2c(Cl)c1Cl 685937471 WKDJCBCQTCIGMK-UHFFFAOYSA-N 288.105 3.857 0 40 CHAB CC(C)(C)NC(=O)CCc1ccc(Cl)cc1Cl 44596751 AROOCCVYNYFDME-UHFFFAOYSA-N 274.191 3.841 0 40 CHAB C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1F 12342208 RVQIYLDWJBKUAL-IHRRRGAJSA-N 293.382 3.634 0 40 CHAB c1cncc(-c2nc(NC3CC3)ncc2-c2cccs2)c1 13266249 QCFPSCXMLSPKPJ-UHFFFAOYSA-N 294.383 3.841 0 40 CHAB O=c1[nH]c(C2CCCCC2)nc2sc3c(c12)CCCC3 13534408 BGGFNXMYMRPSCF-UHFFFAOYSA-N 288.416 3.911 0 40 CHAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(F)cc1 17916000 LYJXZHFKQKEUQC-SECBINFHSA-N 279.261 3.595 0 40 CHAB CSCc1nnc(SCc2cccc(C)c2)o1 40477665 PTIUMMURBYSNPQ-UHFFFAOYSA-N 266.391 3.533 0 40 CHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccccc1F 37980219 OYTPHIOMKWACMJ-VIFPVBQESA-N 289.272 3.629 0 40 CHAB CC(C)=CCc1c(C)nc2ccccc2c1C(=O)O 51136 KUTCEDHTXCJAPK-UHFFFAOYSA-N 255.317 3.750 0 40 CHAB O=C1C[C@@H](c2cccs2)c2c(-c3ccccc3)n[nH]c2O1 4632355 QSJQTNMXUAAYER-NSHDSACASA-N 296.351 3.579 0 40 CHAB O=C(COc1ccc2ccccc2c1)NCc1ccsc1 13698069 RNLJIPQBUZEZSH-UHFFFAOYSA-N 297.379 3.597 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Cc2c(C)[nH]c3ccccc23)o1 40070112 UCHFHPODDZGKNL-ZDUSSCGKSA-N 296.370 3.798 0 40 CHAB Fc1cc(CN2CCc3ccccc32)c2ncccc2c1 40086028 AQENNIXSXLURMK-UHFFFAOYSA-N 278.330 3.937 0 40 CHAB C[C@@H](NC(=O)CCc1cccnc1)c1ccc(Cl)s1 40074618 IJHJEUBPMXETFE-SNVBAGLBSA-N 294.807 3.607 0 40 CHAB Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 173763 LXXDBPUREVMTMI-UHFFFAOYSA-N 255.195 3.598 0 40 CHAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 285478 PNXJPYRQIIGXEK-UHFFFAOYSA-N 288.730 3.688 0 40 CHAB CC[C@](O)(c1ccccc1)[C@H](OC)c1ccccc1 1597678 OOJYEFKCICPSQA-SJORKVTESA-N 256.345 3.672 0 40 CHAB CCOc1ccc(NC(=O)c2cc(C)ccc2C)cc1 3331898 USLXWDFAYHLMAW-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N 40994050 DKIXVPMMJGAICQ-ZETCQYMHSA-N 297.221 3.901 0 40 CHAB in-vitro Cc1cccc(C)c1NS(=O)(=O)c1ccc(Cl)cc1 348101 ROGBSZSTBHSARC-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB CCC1=C(C)C[C@H]2c3cc(OC)c(OC)cc3CCN2C1 4972683 PENYLLAPQCWEOG-INIZCTEOSA-N 287.403 3.733 0 40 CHAB COc1ccc2c(C)c/c(=N\Nc3ccccc3)oc2c1 41127916 YBZRIXCGSXYHTO-HTXNQAPBSA-N 280.327 3.678 0 40 CHAB COc1ccc(CCCC(=O)Nc2ccc(C)cc2)cc1 10777594 WCJOMSSXNKQTET-UHFFFAOYSA-N 283.371 3.965 0 40 CHAB COc1ccc(-c2cc(=O)oc3c(C)c(OC)ccc23)cc1 488326 OYAWLTAUQJITGX-UHFFFAOYSA-N 296.322 3.786 0 40 CHAB biogenic C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)cc1 12525340 BSBLOICWFRFZKI-JTQLQIEISA-N 299.761 3.707 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100475362 DUTDNCVTPKVCGV-FXPVBKGRSA-N 267.731 3.854 0 40 CHAB CC(C)NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 25992383 OSRQYPWDHGGQGQ-QMMMGPOBSA-N 275.179 3.762 0 40 CHAB CC(=O)Nc1sc(C)nc1-c1ccc(Cl)cc1 27991658 FMXRYLAWSGGFHM-UHFFFAOYSA-N 266.753 3.730 0 40 CHAB COc1ccc2[nH]c(=O)c(CC=C(Cl)Cl)c(C)c2c1 3984921 GFRBHHCXRNIBDI-UHFFFAOYSA-N 298.169 3.707 0 40 CHAB biogenic c1nc(N(Cc2ccsc2)C2CC2)c2ccsc2n1 64115572 DIAZPNIODVTHJS-UHFFFAOYSA-N 287.413 3.922 0 40 CHAB Cc1ccc2c(CN3C[C@H](C)C[C@@H](C)C3)cc(=O)oc2c1C 5252582 VGENLWPZZMPKNW-CHWSQXEVSA-N 299.414 3.888 0 40 CHAB biogenic Cc1ccc2[nH]cc(C(=O)CN3CCCC[C@H]3C)c2c1 5477754 KTHKMDBWAFJPFK-CYBMUJFWSA-N 270.376 3.533 0 40 CHAB CCCOc1ccc(NC(=O)c2ccco2)c2cccnc12 15840929 UAXRFXVRHQSMAM-UHFFFAOYSA-N 296.326 3.869 0 40 CHAB Cc1ccc(CN(C)C(=O)CCc2ccc(F)cc2)cc1 60883317 BBAYDAXMQSDFJQ-UHFFFAOYSA-N 285.362 3.725 0 40 CHAB CSCCCC(=O)Nc1nn(C2CCCCC2)cc1C 96009817 NAJFLOLRWCHQJO-UHFFFAOYSA-N 295.452 3.778 0 40 CHAB CC(C)(C)OC(=O)N1CCC(c2ccc(N)c(F)c2)CC1 75907428 IBBJDYXFRGULCN-UHFFFAOYSA-N 294.370 3.522 0 40 CHAB CC(C)c1c2cc3c(cc2nn1-c1ccccc1)OCCO3 19957221 XBZPQRQMTGMLJC-UHFFFAOYSA-N 294.354 3.920 0 40 CHAB CCc1n[nH]c(SCc2cc(C)nc3ccccc23)n1 71905482 HFNWLYHGIWROBF-UHFFFAOYSA-N 284.388 3.516 0 40 CHAB Cc1nnc([C@H](C)N[C@@H](C)c2oc3ccccc3c2C)o1 97111909 JMRABMWVCWFGKU-QWRGUYRKSA-N 285.347 3.844 0 40 CHAB Cc1cc2c(cc1C)C(=O)C[C@H](c1ccccc1C(=O)O)O2 41181966 WIEJVCQZTZJNEZ-QGZVFWFLSA-N 296.322 3.708 0 40 CHAB CC[C@H]1CC[C@H](C)N1c1cc(C)nc(-c2ccccn2)n1 95458738 UDUOVCPNBQBLPJ-KBPBESRZSA-N 282.391 3.614 0 40 CHAB C[C@@H](NCC[S@](=O)C(C)(C)C)c1cc2ccccc2o1 95968130 GWPVQKBLQIGYOR-MPBGBICISA-N 293.432 3.631 0 40 CHAB CCn1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 27929899 JHGVMHNOKLQVSR-UHFFFAOYSA-N 291.354 3.822 0 40 CHAB CN(C)C(=O)c1c(-c2ccccc2)oc2ccc(O)cc12 407158 QZYYHSYJKIKPCM-UHFFFAOYSA-N 281.311 3.507 0 40 CHAB biogenic CCCCCNC(=O)Nc1cc(Cl)ccc1F 32862266 FQNMHQJPLBFSJP-UHFFFAOYSA-N 258.724 3.791 0 40 CHAB COc1ccc(F)cc1C(=O)c1cccc(C)c1C 37362310 HYSXGTJXXYBVNU-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB C[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)[C@H](c2ccco2)C1 75389258 GKVDODOCCRFVJS-ILXRZTDVSA-N 273.376 3.936 0 40 CHAB O=Cc1ccc2nc(-c3cccc(F)c3)sc2c1 73740332 SLJHQTOSJPQMOO-UHFFFAOYSA-N 257.289 3.915 0 40 CHAB CC[C@@H](C)n1c([C@@H](C)O)nc2cc(Cl)ccc21 40407641 HIZJUPGOIPVYGI-RKDXNWHRSA-N 252.745 3.714 0 40 CHAB CC(C)c1ccc(O[C@H]2CCCNC2)c(Br)c1 42774705 XUONBQDRNBTXNO-LBPRGKRZSA-N 298.224 3.703 0 40 CHAB FC(F)(F)C1CCN(c2ccncc2Cl)CC1 176941883 NKYUGJFVPHQEGR-UHFFFAOYSA-N 264.678 3.514 0 40 CHAB COC(C)(C)c1noc([C@H]2C[C@@H]2c2ccccc2C)n1 85237853 VHYUZQQJXWAQAN-OLZOCXBDSA-N 272.348 3.531 0 40 CHAB CCc1ccc(NC(=O)NCc2ccc(F)cc2F)cc1 44845408 JKZMIFFLQKNYIP-UHFFFAOYSA-N 290.313 3.849 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2)C1 146122478 UASWAQXJHNSVQO-AWEZNQCLSA-N 261.365 3.801 0 40 CHAB Clc1ncc(I)c2sccc12 44628691 YGBSWRDJORLVRI-UHFFFAOYSA-N 295.532 3.554 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccncc1 57561390 SAYXSRMYGLFRLJ-OAHLLOKOSA-N 286.762 3.712 0 40 CHAB O=C(C1=C(Cl)CCCC1)N(C1CCCC1)C1CC1 75633455 YRTCGJKXJMNGMX-UHFFFAOYSA-N 267.800 3.987 0 40 CHAB c1ccc2oc(CN3CCC[C@@H]4CCCC[C@H]43)nc2c1 107327417 KSVLOICKWMICNZ-DZGCQCFKSA-N 270.376 3.982 0 40 CHAB O=C(O)c1conc1-c1ccc(OCc2ccccc2)cc1 226099825 MNSXCLWWSSBSBP-UHFFFAOYSA-N 295.294 3.619 0 40 CHAB CCC[C@H](C)NC(=O)c1cc2ccccc2cc1OC 15652984 DFOJUCJXZLURIB-LBPRGKRZSA-N 271.360 3.767 0 40 CHAB CCC[C@H]1O[C@@H](c2ccc3c(c2)OCO3)OC[C@@H]1CC 4682989 UKWMCOIACMBUOZ-GHJWDPDVSA-N 278.348 3.656 0 40 CHAB c1ccc(CN2[C@H]3CC[C@H]2CC(=C2CCC2)C3)nc1 1776001840 OBYJPICEGDEFHT-IRXDYDNUSA-N 254.377 3.689 0 40 CHAB COc1ccc(-c2c[nH]c3ccccc23)cc1OC 37632523 JEBUUWJAEPKMST-UHFFFAOYSA-N 253.301 3.852 0 40 CHAB Cc1ccc(NC(=O)c2ccsc2)c(Cl)c1 22393982 KGEYQUIEAGPZHZ-UHFFFAOYSA-N 251.738 3.962 0 40 CHAB CC(C)(C)c1cc(OC(=O)c2ccccc2)ccc1O 363905 CXBDNMWDNBANSF-UHFFFAOYSA-N 270.328 3.909 0 40 CHAB Cc1cc(NC(=O)NC2CCCCC2)c2ccccc2n1 16268869 BDXWQASIPDHNBR-UHFFFAOYSA-N 283.375 3.997 0 40 CHAB O=C(CC1CC1)NCCc1ccc(-c2ccsc2)s1 575414073 OUMKXGSPXUHHDK-UHFFFAOYSA-N 291.441 3.935 0 40 CHAB COc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl 40098727 JHRBUFWFXJHOOA-GHMZBOCLSA-N 296.798 3.858 0 40 CHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccs1 40155226 RXNUDXRVHPVSCT-NSHDSACASA-N 296.395 3.989 0 40 CHAB Cc1ccc(N(C)Cc2nc(CC(C)C)no2)c(C)c1 59393121 YJBQXOACMDWDQX-UHFFFAOYSA-N 273.380 3.521 0 40 CHAB CC[C@H](C)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 365426 GASKZHVEXCSTMX-ZDUSSCGKSA-N 281.355 3.902 0 40 CHAB CC(C)(C)c1cnc(CNC2(c3ccccc3)CC2)o1 69623058 RKODCHLPHSADGM-UHFFFAOYSA-N 270.376 3.751 0 40 CHAB CC(=O)Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1 32104573 IZRRYWVORXCMNP-UHFFFAOYSA-N 287.706 3.502 0 40 CHAB COc1ccccc1-c1nnc(S)n1-c1cccc(C)c1 6724193 ZKRSULJUSBYKSM-UHFFFAOYSA-N 297.383 3.540 0 40 CHAB COc1ccc2[nH]c(COc3cccc(C)c3C)nc2c1 41146130 NVVNUPHDLGEOEX-UHFFFAOYSA-N 282.343 3.767 0 40 CHAB O=C1CC(c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 32985296 VOBGJJLTEQXLPZ-UHFFFAOYSA-N 299.757 3.777 0 40 CHAB O=C(Cc1cccs1)N1CCC[C@@H]1c1ccsc1 46911581 KHSKSVDVZQSAEX-CYBMUJFWSA-N 277.414 3.716 0 40 CHAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CC=CCC1 21937120 MPQLAOVHVYSCDI-LBPRGKRZSA-N 286.400 3.611 0 40 CHAB CC1[C@@H](C(=O)c2ccccc2)[C@@H]1C(=O)c1ccccc1 501090 GQQMNGZUUPRBMD-HZPDHXFCSA-N 264.324 3.634 0 40 CHAB C[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 795298 CJQHQEGHFYQVSM-GFCCVEGCSA-N 295.810 3.756 0 40 CHAB Cc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc1 101084736 OFJKQOVHGJKGRK-QAPCUYQASA-N 294.354 3.765 0 40 CHAB Cc1c(NC(=O)N2CCC(C)CC2)cccc1OC(F)F 69776514 SMKTYDBKRFXHGR-UHFFFAOYSA-N 298.333 3.860 0 40 CHAB COc1cccc(-c2noc(N)c2-c2ccccc2)c1 26512465 SWFCRTUCDBSVME-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB COc1ccccc1-c1nc(Cl)n(-c2ccccc2)n1 22125204 CHNJLEVTFJKWNG-UHFFFAOYSA-N 285.734 3.596 0 40 CHAB Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1 100766175 SIQGKPGBLYKQBB-RBSFLKMASA-N 257.377 3.987 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(Cl)c(Cl)c1 23977099 WPYGIYYKMJVDMB-NRPADANISA-N 272.175 3.827 0 40 CHAB COc1ccc([C@H](C)NC(=O)c2sccc2C)cc1F 24078496 ZOCMGXOUDMRGJY-JTQLQIEISA-N 293.363 3.695 0 40 CHAB Cc1ccc2c(c1)C(=O)C[C@@H](C)N2C(=O)c1ccccc1 1269536 FSPUXOIDIZKDML-CYBMUJFWSA-N 279.339 3.617 0 40 CHAB COc1cc(C(=O)Nc2nc3ccccc3s2)ccc1C 21598949 XNJYXCSOAPUXGV-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 21197477 BJFUVADQBJJCDY-ZDUSSCGKSA-N 271.335 3.934 0 40 CHAB CCOc1ccc(NC(=O)N[C@H](C)c2ccccn2)c(C)c1 48142587 IQYASIIDWAQJEU-CYBMUJFWSA-N 299.374 3.671 0 40 CHAB CCc1ccc(C(=O)Nc2cccc(SC)c2)o1 36396879 IGEQGFOKIXSANQ-UHFFFAOYSA-N 261.346 3.816 0 40 CHAB Cc1ccc(C)n1[C@H](C)C(=O)NC[C@H](C)c1ccccc1 48355712 LFFSZNDMDOKLKO-XJKSGUPXSA-N 284.403 3.586 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cn1 12817639 WMDJGGLYFGAGPV-UHFFFAOYSA-N 296.248 3.541 0 40 CHAB Cc1cnc(NC(=O)CCc2c[nH]c3ccccc23)s1 3543558 DWSBRZWGQNNJMS-UHFFFAOYSA-N 285.372 3.504 0 40 CHAB CC(C)c1ccc(CCNC(=O)c2cccc(F)c2)cc1 3554586 ZKNBAWCJOBBZAG-UHFFFAOYSA-N 285.362 3.922 0 40 CHAB O=C(c1ccc(F)cc1)c1c[nH]c2ccc(F)cc12 111683101 CDXAITPMSWFLGO-UHFFFAOYSA-N 257.239 3.677 0 40 CHAB Cc1ccc(SCCOC(=O)/C=C/c2ccco2)cc1 69558219 HFSHMYGYEONSHZ-RMKNXTFCSA-N 288.368 3.937 0 40 CHAB O=C(CNc1cccc2ccccc12)NC1CCCCC1 15086287 RPQJSQDXCOGYKY-UHFFFAOYSA-N 282.387 3.701 0 40 CHAB O=c1cc(C(F)(F)F)oc2ccc(Br)cc12 15108050 XAYSDWDFMSQLHC-UHFFFAOYSA-N 293.038 3.574 0 40 CHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc(F)c1 5937692 ARPMOYMVJXCNQF-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB O=c1sc(-c2ccccc2Cl)nc2ccccc12 9453582 KJAVEHUNXJVULQ-UHFFFAOYSA-N 273.744 3.977 0 40 CHAB Cc1cc([C@@H](C)Nc2ncnc3ccncc23)c(C)s1 97020926 ZACCNVDVJPHQDD-SNVBAGLBSA-N 284.388 3.876 0 40 CHAB Cc1ccccc1S(=O)(=O)[C@@H](C)c1ccccc1 77646982 ZGRWOQIKSQCHGG-ZDUSSCGKSA-N 260.358 3.530 0 40 CHAB C[C@@H]([C@H](O)c1ccccc1)N(C)Cc1c[nH]c2ccccc12 68605808 CDRIUGKQLDWUDV-LIRRHRJNSA-N 294.398 3.722 0 40 CHAB C[C@H](NCCN[C@H](C)c1ccccc1)c1ccccc1 23476859 LVJYSFUNASCGCN-IYBDPMFKSA-N 268.404 3.688 0 40 CHAB C[C@H]1CC[C@@](C)(C(=O)COC(=O)c2ccccc2)C1(C)C 3846097 DEVYPJFFYKGEEF-UGSOOPFHSA-N 288.387 3.875 0 40 CHAB biogenic CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(=S)[nH]c1 72216998 XOCFYXWASNGGOZ-LLVKDONJSA-N 280.393 3.816 0 40 CHAB CC(C)c1ocnc1CSCc1ccnc(N(C)C)c1 127798451 MESXMKJCPBAYGX-UHFFFAOYSA-N 291.420 3.692 0 40 CHAB O=Cc1c(-c2ccc(C(F)(F)F)cc2)nc2sccn12 70450775 AYDSJLKRRNTAKO-UHFFFAOYSA-N 296.273 3.894 0 40 CHAB Cc1cccnc1[C@@H](NC(=O)[C@@H]1CC=CCC1)C(C)C 79358069 RYXIOAMFPZELDO-CABCVRRESA-N 272.392 3.560 0 40 CHAB Cc1ccc([C@@H](C)NCc2ccc(-n3cccn3)cc2)o1 35018973 JKZZIOOSGVUOSO-CQSZACIVSA-N 281.359 3.625 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1ccccc1 216337181 ICVRFVBURZRLEW-OAHLLOKOSA-N 297.398 3.675 0 40 CHAB Cc1cccc(-c2nccnc2C2CCN(C)CC2)c1C 72365360 CBIAKWLZWOUMOV-UHFFFAOYSA-N 281.403 3.570 0 40 CHAB CC[C@H]1CNCc2cc3cccc(C(C)C)c3nc2O1 72392286 WGHLVBCHXHMVNK-AWEZNQCLSA-N 270.376 3.619 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2OC)cc1F 199731876 PMQKTAUWIIIVHP-UHFFFAOYSA-N 288.318 3.658 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc3ccn(C)c3c2)cc1 40266170 KYCJTTNAUDXFQC-UHFFFAOYSA-N 292.338 3.633 0 40 CHAB CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 42783533 CYJGQWBPGSOJCG-UHFFFAOYSA-N 278.705 3.990 0 40 CHAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1 516673 KSQKYFTWWHKFSA-UHFFFAOYSA-N 269.344 3.828 0 40 CHAB COC(=O)c1ccc(CSc2ccc(OC)cc2)cc1 1625123 NPYYSKZRLPGKKE-UHFFFAOYSA-N 288.368 3.774 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H]1CCCCC1=O 13410649 SIAFUAYUXXTABY-ORIJERBGSA-N 295.423 3.685 0 40 CHAB CCCc1nnc2sc(-c3ccc(C)c(Cl)c3)nn12 15423446 JMNDVEJJWBFYOJ-UHFFFAOYSA-N 292.795 3.767 0 40 CHAB CCOC(=O)c1cnc2ccccc2c1NCc1ccco1 98418 KEIOFZHOWYVQGN-UHFFFAOYSA-N 296.326 3.617 0 40 CHAB O[C@@H](c1cccc(F)c1)c1ccc(Cl)c(F)c1 4242382 XJLBKCVKWYTZGD-ZDUSSCGKSA-N 254.663 3.700 0 40 CHAB O=C(Nc1ccc2ncccc2c1)c1cccnc1Cl 7382568 ABQZDMZIYXXALB-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB O=C(CSCc1ccccc1Cl)Nc1ccccn1 21001524 HLKBNOFDFBLDGJ-UHFFFAOYSA-N 292.791 3.607 0 40 CHAB Cc1ccc(C(=O)c2ccccc2C(=O)NC(C)C)cc1C 29218215 NKCYYMUFEOHOSJ-UHFFFAOYSA-N 295.382 3.673 0 40 CHAB Cc1cccc(C(=O)/N=c2/sc3cc(C)ccc3n2C)c1 100812023 JWDAJYVRBXEIIL-ISLYRVAYSA-N 296.395 3.598 0 40 CHAB Cc1noc(-c2sccc2NC(=O)c2ccccc2C)n1 207958634 NEDONGJNLPUVER-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB Cc1ccccc1CN1CCC([C@@H](O)c2ccccc2)CC1 40046917 PLZHRZSVOWBXNO-FQEVSTJZSA-N 295.426 3.941 0 40 CHAB Cc1ccc(NC(=O)N(C)C2CCCCC2)cc1F 40098039 GMOPWLWBWXLLKV-UHFFFAOYSA-N 264.344 3.931 0 40 CHAB Nc1ccccc1SC[C@@H]1CCCN2CCCC[C@H]12 31775792 MPRLHELMLFULGS-DZGCQCFKSA-N 276.449 3.625 0 40 CHAB biogenic C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(F)cc1 250130 JFRGJRZHPPRCGP-LLVKDONJSA-N 287.309 3.946 0 40 CHAB CCCC[C@@H](CC)OC(=O)c1cccc(C(=O)O)c1 1764733 ARTKYGDWBGWUCF-CYBMUJFWSA-N 264.321 3.510 0 40 CHAB COc1ccc(C(=O)Oc2ccc(C)cc2C)cc1 362380 NISWTLVJZXCCLX-UHFFFAOYSA-N 256.301 3.531 0 40 CHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 6931760 YHAMYBFNSLDFCY-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB Cc1ccc(-c2nnc(Cl)n2-c2ccccc2)cc1 32627048 OXNIYZPLMOCTHU-UHFFFAOYSA-N 269.735 3.896 0 40 CHAB in-vitro O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@@H]1c1cccs1 102250778 KBUSFRPGMACBKK-IGQOVBAYSA-N 273.401 3.624 0 40 CHAB C[C@H](NC(=O)/C=C/c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 104071089 XBXVJWLMSVDMJL-NEIWQKSPSA-N 269.388 3.641 0 40 CHAB COc1cccc2cc(CN[C@H](C)CC(C)C)oc12 37255491 TTZAIECUBXRAFW-GFCCVEGCSA-N 261.365 3.966 0 40 CHAB CSc1ccccc1C(=O)NC1CCC(C)CC1 7990551 DUUIGSPWFMIATI-UHFFFAOYSA-N 263.406 3.717 0 40 CHAB CN(C(=O)c1ccc(F)cc1)[C@@H]1CCCc2ccccc21 23151727 RUZFNZOQGWQXDW-QGZVFWFLSA-N 283.346 3.975 0 40 CHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)[C@@H]1CC=CCC1 54298887 VZHRYSHEBIHMBX-ZIAGYGMSSA-N 294.398 3.970 0 40 CHAB Nc1onc(-c2ccccc2)c1Cc1ccccc1 26512449 HPMMWEVDXKYTIT-UHFFFAOYSA-N 250.301 3.515 0 40 CHAB O=C(CCc1ccsc1)Nc1ccc2c(c1)CCC2 21893067 GTFQKHWJZSZNQN-UHFFFAOYSA-N 271.385 3.808 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)CCc1c(C)noc1C 12599825 BZMFZIIYNXWHMN-UHFFFAOYSA-N 292.766 3.825 0 40 CHAB COC(=O)c1ccc(CN[C@@H](c2cccs2)C(C)C)o1 35046627 NBBXNFIEZQCPDJ-CQSZACIVSA-N 293.388 3.615 0 40 CHAB C[C@H](C(=O)Nc1ccccc1)N1CC[C@H](c2ccccc2)C1 69737534 HULAMQHRSAXYQB-WBVHZDCISA-N 294.398 3.503 0 40 CHAB CCCCCSc1cc(OC)c(CCNC)cc1OC 2193136 VYUFRDMGURKYMP-UHFFFAOYSA-N 297.464 3.748 0 40 CHAB CCN(CC)CCCN(CC)Cc1cc2ccccc2o1 2295034 OSMSELZIIHWHMD-UHFFFAOYSA-N 288.435 3.987 0 40 CHAB COc1ccc(-c2[nH]c3ccccc3c2SCCN)cc1 2455191 FFWUFVNXEUBKSS-UHFFFAOYSA-N 298.411 3.894 0 40 CHAB COc1cc(SC)ccc1C(=O)NCC1CCCCC1 3430044 KIAKTRMIKWSUEU-UHFFFAOYSA-N 293.432 3.727 0 40 CHAB CCOc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1 13331763 RTSLHLWAAMZAGR-CYBMUJFWSA-N 290.407 3.778 0 40 CHAB CC1(C)CC(N2CCCCC2)=CC(=[N+]2CCCCC2)C1 49537583 KQOGHJUNYNFRTN-UHFFFAOYSA-N 275.460 3.814 0 40 CHAB COCc1ccccc1NC(=O)NCC1CCCCC1 69419005 GHXMWMFTZZZCTN-UHFFFAOYSA-N 276.380 3.535 0 40 CHAB O=C(O)CCCOc1ccccc1-c1ccccc1 5491172 BAFXEUYQZPRLEL-UHFFFAOYSA-N 256.301 3.597 0 40 CHAB CN(Cc1ccc(O)cc1)C(=O)C/C=C/c1ccc(F)cc1 89355903 DHDFWSNXIBTGEM-NSCUHMNNSA-N 299.345 3.593 0 40 CHAB CCCCN[C@@H](C)c1ccc(Br)s1 38001673 RUJOVBANFACBNC-QMMMGPOBSA-N 262.216 3.961 0 40 CHAB CCOc1ncccc1[C@@H]1CCCCN1CC(C)C 72211861 ILNUDXWJUZUNGI-HNNXBMFYSA-N 262.397 3.663 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)c1ccccc1 34461566 XPNLXLJSAOATSK-CQSZACIVSA-N 289.375 3.659 0 40 CHAB CCOc1ccc([C@@H]2CCCCN2CC(C)C)cn1 72211801 IBZRYTVPMNLIRI-HNNXBMFYSA-N 262.397 3.663 0 40 CHAB COc1ccc([C@H](C)NC(=O)NC2CCCCC2)cc1F 48340553 HUFOHKUGWFTDFM-NSHDSACASA-N 294.370 3.527 0 40 CHAB Cc1occc1SCc1cccc(C(=O)N(C)C)c1 131534948 DGKCLXZYFPNCQD-UHFFFAOYSA-N 275.373 3.582 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(Cl)nc1C 72217906 PHCFOUXQJCTJOS-ZDUSSCGKSA-N 252.789 3.980 0 40 CHAB CC(C)(C)NC(=S)Nc1ccc2ccccc2c1 44051387 WXLSCXBJNMRDIA-UHFFFAOYSA-N 258.390 3.925 0 40 CHAB CC[C@H](C)[C@H](C)NC(=O)c1cc(F)c(F)cc1Cl 48331653 VCXUSMYUAMIPIS-YUMQZZPRSA-N 275.726 3.783 0 40 CHAB CC(C)CCN1C(=O)C(Cl)(Cl)c2ccccc21 40163993 AGEYKNUUNWLBOH-UHFFFAOYSA-N 272.175 3.710 0 40 CHAB Cc1ccc(SCC(=O)NCC2CCCCC2)cc1 223388867 HVVHYZWJWWCOAX-UHFFFAOYSA-N 277.433 3.784 0 40 CHAB C[C@H](c1ccccc1)N1CC[C@@H]1C(=O)OCc1ccccc1 95864383 CANYIAQWEWELJV-CRAIPNDOSA-N 295.382 3.565 0 40 CHAB Clc1ccc([C@@H]2CCN2Cc2cncs2)cc1 93686010 UNLZMDQOXGXYQX-ZDUSSCGKSA-N 264.781 3.744 0 40 CHAB COc1ccc(C(=O)c2cccc(F)c2Cl)cc1 89064311 DKAORFUTTXQXGW-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB Cc1cccnc1Nc1nc(-c2ccoc2)cs1 96124504 JFGVWPOWOFPLRU-UHFFFAOYSA-N 257.318 3.850 0 40 CHAB O=C(NCc1cncc(C2CC2)c1)c1cccc(Cl)c1 575606087 KDVDBAILDZDDEJ-UHFFFAOYSA-N 286.762 3.542 0 40 CHAB Fc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1 585260827 APJGHSSDPUTXQC-ROUUACIJSA-N 284.378 3.601 0 40 CHAB CC(C)(C)c1ccc(C(=O)c2ccc(O)cc2O)cc1 165453 VVEFXKUGUXUOSZ-UHFFFAOYSA-N 270.328 3.626 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1nccc(C(F)(F)F)n1 1775995549 OJMHIZJYBWLRMP-PHIMTYICSA-N 283.297 3.573 0 40 CHAB COc1ccc(Cl)cc1CNc1cccc2[nH]ncc12 38051627 GCAUCPHTLOMXPO-UHFFFAOYSA-N 287.750 3.837 0 40 CHAB Cc1cn2c(-c3ccccc3F)nc(=S)nc2s1 117024 RLJDVMRURPRXCZ-UHFFFAOYSA-N 277.349 3.635 0 40 CHAB Cc1cc(Nc2cccc(C(=O)O)c2)nc2ccccc12 324409 KBJBPWSEGVVMQY-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB CCOC(=O)Nc1c(-c2ccccc2)nc2cc(C)ccn12 27023749 FUYHDCAJZTYEBE-UHFFFAOYSA-N 295.342 3.878 0 40 CHAB C[C@H]1CN=C(Nc2cccc(C(F)(F)F)c2)S1 134995 DCKNPUPMYYQONS-ZETCQYMHSA-N 260.284 3.609 0 40 CHAB O[C@H](CNCc1cccc2ccccc12)c1ccccc1 16477526 ZYWPUMMNNPPJAZ-LJQANCHMSA-N 277.367 3.663 0 40 CHAB Cc1ccc(N[C@H](C(=O)O)c2ccc(C)cc2)cc1 4244972 IIVYGROMGQUZOO-HNNXBMFYSA-N 255.317 3.541 0 40 CHAB CCN(CC)C1=NC=CC(c2ccccc2)=C[C@H]1C 343276 HBBYVYNODQXLEK-CQSZACIVSA-N 254.377 3.974 0 40 CHAB CC(C)CNC(=O)c1cccc(OCc2cccs2)c1 32655870 JNACHMGXLFUTCW-UHFFFAOYSA-N 289.400 3.713 0 40 CHAB CC(C)N(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102226320 DKHHYTUZTUVUMX-OFQRWUPVSA-N 288.460 3.965 0 40 CHAB CCC(=O)Nc1ccc2oc(-c3cccc(OC)c3)nc2c1 21579167 IUBUOHXPHFHFDQ-UHFFFAOYSA-N 296.326 3.852 0 40 CHAB O=C(NCCSC1CCCC1)Nc1ccc(F)cc1 32826264 GZDXSMAGDJDKAL-UHFFFAOYSA-N 282.384 3.623 0 40 CHAB Cc1ccoc1C(=O)Nc1ccccc1OC(F)(F)F 46633115 MJGCHIXKTFJITQ-UHFFFAOYSA-N 285.221 3.739 0 40 CHAB O=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100164138 KHWMXALDGHPVGM-GIPNMCIBSA-N 264.756 3.650 0 40 CHAB CC(C)(C)c1ccc(OC[C@H]2CCNC2)c(Cl)c1 42771079 QMKSQEAKUWVCRM-NSHDSACASA-N 267.800 3.626 0 40 CHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1ccco1 59477630 XOEIVNOUNCFQNG-PKNBQFBNSA-N 293.322 3.869 0 40 CHAB C[C@@H]1[C@@H](NC(=O)/C=C/c2ccc3c(c2)CCO3)CCC[C@H]1C 107476818 SPYHDNNZFCMOCO-BPUYPPLYSA-N 299.414 3.576 0 40 CHAB CCCn1nccc1C(=O)Nc1ccccc1C(F)(F)F 28243523 FVFQGDDBIZYTOQ-UHFFFAOYSA-N 297.280 3.564 0 40 CHAB Cc1noc(C)c1CN1CCCc2cc(F)c(F)cc21 26342732 WLOYBHJWKLUGOA-UHFFFAOYSA-N 278.302 3.522 0 40 CHAB O=C(O)CCc1cccc(Oc2ccc(F)cc2)c1 26423829 VGIQSBXUZNYHGV-UHFFFAOYSA-N 260.264 3.635 0 40 CHAB in-vitro Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 113945897 DBZOMKMKDQLCJZ-JKSUJKDBSA-N 297.398 3.948 0 40 CHAB CC(C)c1nc(Cl)n(-c2ccc(Cl)cc2)n1 22125302 XTORFTBNGYXRHH-UHFFFAOYSA-N 256.136 3.698 0 40 CHAB O=C(O)C[C@H](c1ccc(F)cc1)C1CCCCC1 36139886 FMSZDMSJKLPQBW-AWEZNQCLSA-N 250.313 3.964 0 40 CHAB O=C(Nc1cccc(Cl)c1)N1CCc2sccc2C1 10463962 LNWOMMBRKRLDJQ-UHFFFAOYSA-N 292.791 3.992 0 40 CHAB CCOc1ccc(NC(=O)c2c(F)cccc2F)cc1 3345981 WAJGBWHDSPCRCU-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB Cc1cc(C(F)(F)F)n(C(=O)Nc2ccccc2C)n1 27925761 YIPYZNKVIDPTCY-UHFFFAOYSA-N 283.253 3.599 0 40 CHAB COc1ccc(Cl)cc1NC(=O)CCc1ccco1 12976347 DMRDTLRVWBYNRQ-UHFFFAOYSA-N 279.723 3.513 0 40 CHAB Cc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1C 17022237 CHGCYJWEIGZCDQ-UHFFFAOYSA-N 289.375 3.667 0 40 CHAB CCCCC[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1 5464267 BZLDZXXRIGMWTB-CNELAYHGSA-N 263.356 3.924 0 40 CHAB Cc1nnc(NCCc2ccccc2)c2ccccc12 5937064 HAMQQKTWBRIYLP-UHFFFAOYSA-N 263.344 3.593 0 40 CHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccn1 9322123 OLBDMPNMBOWNFA-SNVBAGLBSA-N 292.791 3.854 0 40 CHAB CSc1cccc(NC(=O)CCc2c(C)noc2C)c1 8943525 BNJIJTCHXIRVQF-UHFFFAOYSA-N 290.388 3.585 0 40 CHAB COC[C@@H](C)S[C@H](C)c1ncc(C(C)(C)C)o1 85228771 NRDRGRZXSBORDW-NXEZZACHSA-N 257.399 3.801 0 40 CHAB COC[C@H](N[C@@H]1CCCc2ccccc21)c1ccco1 95968857 FRGSBCKQRFRZKG-CVEARBPZSA-N 271.360 3.634 0 40 CHAB Fc1ccccc1[C@H]1CCN1c1ncnc2cccc(F)c12 75094566 ZXOXKIHIPMSHAS-OAHLLOKOSA-N 297.308 3.859 0 40 CHAB O=C(NCc1ccc(OCc2ccccc2)cc1)C1CCC1 36709765 RFJFUXLSYNOYEX-UHFFFAOYSA-N 295.382 3.682 0 40 CHAB CCCCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 33047978 QUSFKVNMDQAHEI-UHFFFAOYSA-N 295.448 3.813 0 40 CHAB CCSc1ncccc1[C@@H]1CCCCN1CC 72217198 SEWFQQDOTVLJDK-ZDUSSCGKSA-N 250.411 3.741 0 40 CHAB Cc1ccccc1CSc1ncc2ccccn12 72099296 HJFUQBHUZLUYPO-UHFFFAOYSA-N 254.358 3.935 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)NC1CCCCCC1 38772876 USNSFQWXTJTBFH-AWEZNQCLSA-N 289.419 3.855 0 40 CHAB COc1ccc(OC)c(C2=NNc3ccccc3S2)c1 41124476 SFTKIDQVEGRBAL-UHFFFAOYSA-N 286.356 3.583 0 40 CHAB CC[C@@H](O)c1cnc(N(C)c2ccccc2)c(C)c1 72222305 LUFOKLQDZZELNW-OAHLLOKOSA-N 256.349 3.601 0 40 CHAB CCCCO[C@@H](Cc1ccc(C(C)C)cc1)C(=O)O 225047264 SOPWQYHJKJJGKJ-HNNXBMFYSA-N 264.365 3.622 0 40 CHAB CC(C)CCCNC(=O)Nc1cccc2ncccc12 40103569 IXBFVHZCGUPIDO-UHFFFAOYSA-N 271.364 3.793 0 40 CHAB O=C(c1cccc(Cl)c1)c1ccc(C2OCCO2)s1 43210403 AEYJIVYCMWOREM-UHFFFAOYSA-N 294.759 3.678 0 40 CHAB c1ccc2c(NC3CC3)nc(N3CCCCCC3)nc2c1 41149828 SLUCCOXMVRSRNG-UHFFFAOYSA-N 282.391 3.585 0 40 CHAB CCOc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 225785605 UQCMNZLPOBTEJQ-JTNHKYCSSA-N 293.794 3.657 0 40 CHAB Cc1nnc([C@H](C)Sc2cccc3cccnc23)o1 98019308 GIFZXEUICYHIOO-VIFPVBQESA-N 271.345 3.780 0 40 CHAB COCCCC(=O)Nc1ccc(COC2CCCC2)cc1 96416843 NKXYYJDLETUVHO-UHFFFAOYSA-N 291.391 3.511 0 40 CHAB Cc1ccc(N(C(=O)c2oncc2C)C2CCCCC2)nc1 98019167 QYURTIOWEHLWFR-UHFFFAOYSA-N 299.374 3.666 0 40 CHAB CC(C)[C@H](C)NCc1cc(Br)ccc1F 20305436 KENRIABLUJZXKH-VIFPVBQESA-N 274.177 3.722 0 40 CHAB CC(C)(C)c1cnc(SCc2nccn2C(F)F)o1 95416479 SBRPKSSGPRPUTI-UHFFFAOYSA-N 287.335 3.856 0 40 CHAB CC(C)(CCC(=O)O)c1ccc(Br)cc1 11631057 XEAVJQFGNXSRRJ-UHFFFAOYSA-N 271.154 3.592 0 40 CHAB Cc1cccc(NC(=O)c2cccc(Cl)c2Cl)n1 5898335 MHZHPJLGOUFFQW-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB COc1cccc(NC(=O)N(C)Cc2ccc(C)cc2)c1 13048000 YMZVMBWVNVBTAN-UHFFFAOYSA-N 284.359 3.668 0 40 CHAB COc1ccc([C@H]2ON(c3cccc(C)n3)CC=C2C)cc1 13222419 QIDAYJGMKNVDSV-SFHVURJKSA-N 296.370 3.838 0 40 CHAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 15977017 KLXUMXVRVBORGX-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB c1cnc2c(OCc3cnc4ccccc4n3)cccc2c1 16545585 ACKBXMKFYOOBCK-UHFFFAOYSA-N 287.322 3.757 0 40 CHAB Cc1ccc(CNc2cccc(Br)c2)o1 19941694 FZQSHSUHVXXTSK-UHFFFAOYSA-N 266.138 3.963 0 40 CHAB CCCCN(CCCC)C(=S)NC(=O)c1ccccc1 2385284 CRZCQVXNPTXOMF-UHFFFAOYSA-N 292.448 3.604 0 40 CHAB Cc1ccccc1NC(=S)NCc1ccc(Cl)nc1 6276338 NUWCUWDRCHYHTR-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCC1 281542 STVFFSVNTBCZKM-SNVBAGLBSA-N 283.824 3.879 0 40 CHAB Cc1noc2nc(-c3cccnc3)cc(C(F)(F)F)c12 3197620 CKISRUYHZQUZQB-UHFFFAOYSA-N 279.221 3.612 0 40 CHAB C[C@H]1[C@@H](c2cccs2)N[C@@H](c2cccs2)[C@@H](C)[C@@H]1O 239562563 CPNYMZKNSCYTRC-LUAZQSQASA-N 293.457 3.828 0 40 CHAB c1ccc(-c2nnc(CN3CCCCCCC3)o2)cc1 32652323 CXCHMGFXBAJFKI-UHFFFAOYSA-N 271.364 3.503 0 40 CHAB CCCCN1CCc2c(n3c4c(cccc24)CC[C@H]3C)C1=O 1875296 GVCRQQHNDODRNW-CYBMUJFWSA-N 296.414 3.947 0 40 CHAB c1ccc(-c2noc(CSCc3ccco3)n2)cc1 40158943 IKMPQJLCFAWVIA-UHFFFAOYSA-N 272.329 3.763 0 40 CHAB O=C(CSc1ccccn1)c1ccc(Cl)cc1 40902 LWCWKYOCCCDCLL-UHFFFAOYSA-N 263.749 3.710 0 40 CHAB O=c1cc(-c2ccc(Cl)cc2)oc2cc(O)ccc12 108634 OFHGICWRYGZKGX-UHFFFAOYSA-N 272.687 3.819 0 40 CHAB biogenic COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC 364163 XIFHDLPHWZKZLG-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB CC(C)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 237485 ZHCMCWLMULDAHU-UHFFFAOYSA-N 279.343 3.824 0 40 CHAB CC[C@@H](Cc1ccccc1)OC(=O)c1ccccc1C(=O)O 1577203 HHLZUHINSQUPHD-AWEZNQCLSA-N 298.338 3.563 0 40 CHAB CCN(CC)CCO[C@@H]1CCCC[C@@H]1Cc1ccccn1 1675102 FZAOVOGLQIIWGX-SJLPKXTDSA-N 290.451 3.541 0 40 CHAB CCCCCC[C@@H](C)NC[C@H](O)COc1cccc(C)c1 1731827 VEOSVJOBGXMFHF-SJORKVTESA-N 293.451 3.683 0 40 CHAB COc1ccc(CC[C@@](C)(O)c2ccccc2)cc1 2042532 XPSLGQCMCUGXMM-QGZVFWFLSA-N 256.345 3.536 0 40 CHAB Cc1cccc(NC(=O)c2cc3c(cc2C)OCCCO3)c1 46077737 UNQYTJYRTCKNBZ-UHFFFAOYSA-N 297.354 3.717 0 40 CHAB CC[C@H]1CCCCN1C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 4041809 JTMQBKLVQMOPBR-VHSSKADRSA-N 291.435 3.563 0 40 CHAB CCC(CC)NC(=S)Nc1cc(C)ccc1C 7529458 DIMHQYDARYXZOJ-UHFFFAOYSA-N 250.411 3.778 0 40 CHAB Cc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)O 552131 WURPXKSJIAIRMT-UHFFFAOYSA-N 289.356 3.624 0 40 CHAB Cc1ccccc1NC(=O)CSc1cccs1 23191898 OYJWDAPXLOVTLY-UHFFFAOYSA-N 263.387 3.787 0 40 CHAB Cc1nc(CNc2ccc(Cl)cc2F)oc1C 42589787 BHQXYCHNMDUHMZ-UHFFFAOYSA-N 254.692 3.696 0 40 CHAB Cc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cn1 23455143 KALMFAIBZZBLKA-UHFFFAOYSA-N 294.398 3.632 0 40 CHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2ccccc2c1 1513354 HWPAEJWYKJFXBY-HZPDHXFCSA-N 297.354 3.669 0 40 CHAB COC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 44199519 UGGIYQMLYGKWNZ-UHFFFAOYSA-N 272.144 3.511 0 40 CHAB CCCCNCc1ccc(O[C@@H](C)CC)c(OC)c1 66182005 MTINXWRTYZPBNG-ZDUSSCGKSA-N 265.397 3.762 0 40 CHAB Cc1cc(C(=O)c2ccc(F)cc2F)ccc1F 55238556 MCXQXTJTUOYJBF-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1F 28210874 CQZYBRILMLMYHB-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB CN(C)[C@@H](Cc1ccc(Cl)cc1)C(=O)c1ccccc1 3278296 OLECSGBOBNAYIV-INIZCTEOSA-N 287.790 3.696 0 40 CHAB COc1cccc(C(=O)c2ccc(Cl)cc2Cl)n1 45028760 BCWQAHUUATVULB-UHFFFAOYSA-N 282.126 3.628 0 40 CHAB CCN(Cc1cccs1)C(=O)c1ccccc1F 37976534 XQTFNNMKLLUSMJ-UHFFFAOYSA-N 263.337 3.550 0 40 CHAB Cc1noc(C)c1[C@@H](C)C(=O)NC1(c2ccccc2)CCC1 65515510 SXFVGSHTYHTSAD-GFCCVEGCSA-N 298.386 3.591 0 40 CHAB CCc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 14255685 BLENUPPSZAYINI-UHFFFAOYSA-N 289.400 3.667 0 40 CHAB Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1C 14206460 XQEOHPXRKMUDSR-INIZCTEOSA-N 283.396 3.959 0 40 CHAB Cc1cccnc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 6672224 KGNHDOZOLLUZLK-UHFFFAOYSA-N 279.343 3.740 0 40 CHAB CCOc1ccc(C(=O)Oc2cc(C)ccc2C)cc1 14778735 FOAWIPQXCLBXJB-UHFFFAOYSA-N 270.328 3.921 0 40 CHAB CC1CCN(c2nccn3nc(-c4cccs4)cc23)CC1 67285176 PSOCZXSTRNRNGI-UHFFFAOYSA-N 298.415 3.694 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN(C)C(C)(C)CO)o1 92507879 LKFJVOXYVKGDDQ-UHFFFAOYSA-N 291.366 3.597 0 40 CHAB CC[C@H](C)OCc1nn(C(C)C)cc1Br 408716919 SQIBUEHYFUKRPE-VIFPVBQESA-N 275.190 3.542 0 40 CHAB COc1ccc2[nH]c(C(=O)Nc3ccc(C)cc3)cc2c1 9483516 KZGXRQSUKWYLOR-UHFFFAOYSA-N 280.327 3.737 0 40 CHAB COCC[C@H](NCc1cccs1)c1ccc(F)cc1 95419355 VRBAOFCXJTZLIS-HNNXBMFYSA-N 279.380 3.755 0 40 CHAB Cc1cnc(C[S@](=O)Cc2ccc(CC(C)C)cc2)o1 85224815 KLOLRNVZZHMKFW-FQEVSTJZSA-N 291.416 3.630 0 40 CHAB CC(=O)Nc1nc(CNc2cccc(C(F)F)c2)cs1 95963191 QYYLVJRSSZANHZ-UHFFFAOYSA-N 297.330 3.651 0 40 CHAB CC[C@H](Oc1ccccc1Cc1ccccc1)C(=O)O 13609253 HHHVCPRMICZAOK-HNNXBMFYSA-N 270.328 3.519 0 40 CHAB CCCCC(=O)Nc1cnn(Cc2cccc(Cl)c2)c1 32647463 FTFBJQQXOMYMHZ-UHFFFAOYSA-N 291.782 3.714 0 40 CHAB Cc1nc(CSCc2cc(-c3cccs3)on2)no1 76323338 CIUPHGCTLVKFFR-UHFFFAOYSA-N 293.373 3.528 0 40 CHAB CCCN1CCCC[C@H]1c1ccc(N2CCCC2)nc1 72215941 BDRMMKLYWLGGIK-INIZCTEOSA-N 273.424 3.619 0 40 CHAB CCNC(=O)Nc1ccc(Oc2ccccc2OC)cc1 73124137 NBCNBKXMNKVGOB-UHFFFAOYSA-N 286.331 3.629 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2C)cc1OC 228699441 ZSQZCNVDRRCVHM-UHFFFAOYSA-N 284.355 3.828 0 40 CHAB C[C@@H](c1nc2ccccc2n1C)N1CCCCCC1 82086973 CUKAMMGSYPIKMI-ZDUSSCGKSA-N 257.381 3.510 0 40 CHAB CCCCN(C)Cc1ccc(Br)cc1 42205920 MFNBUONFYQZALM-UHFFFAOYSA-N 256.187 3.681 0 40 CHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccnc2)c1 45675323 FFMZHUCHERSJQP-CQSZACIVSA-N 298.386 3.919 0 40 CHAB CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCO[C@@]2(CCSC2)C1 195568536 PCTABRSVSCXOCC-HZMVEIRTSA-N 295.492 3.623 0 40 CHAB Cc1ccc(/C=C/c2nc3cc(N)ccc3o2)cc1 226249976 LRUDTWBJNQTXEU-RMKNXTFCSA-N 250.301 3.889 0 40 CHAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccoc1 48333226 NBESANWIWIYWCF-GFCCVEGCSA-N 273.332 3.558 0 40 CHAB Cc1ccc(C)c(C(=O)C(F)(F)C(F)(F)F)c1 95916834 PJVWKOBVPMKUKW-UHFFFAOYSA-N 252.182 3.684 0 40 CHAB CCOc1ccc(CNc2nn(C(C)C)cc2C)cc1 256050520 FIQDKGIZUFGKIX-UHFFFAOYSA-N 273.380 3.783 0 40 CHAB CCCC[C@H](C(=O)c1ccc(F)cc1)N1CCCC1 601024743 BCJXLSGKMNRRKO-OAHLLOKOSA-N 263.356 3.663 0 40 CHAB in-vitro CO[C@H](CNC(=O)c1ccc(Cl)cc1)c1ccsc1 96103327 XNGMEEFSIJJPBP-CYBMUJFWSA-N 295.791 3.519 0 40 CHAB COc1ccncc1NC(=O)c1csc2ccccc12 390834553 CHYTTXNPFQBDLJ-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB CSc1ccccc1NC(=O)CCN(C)C1CCCC1 48399484 JECUBFYCTYDOEJ-UHFFFAOYSA-N 292.448 3.612 0 40 CHAB S=c1s/c(=C/c2ccccc2)c2nc3ccccc3n12 13223068 VIPCGMJNRHDKFZ-GXDHUFHOSA-N 294.404 3.826 0 40 CHAB CN(Cc1ccn(C(C)(C)C)c1)Cc1nc2ccccc2[nH]1 14001551 VATPDGFGURFWNY-UHFFFAOYSA-N 296.418 3.751 0 40 CHAB Cc1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1 19774043 SNYFONUJZGKDNY-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB Cc1cccc(CN2CCN(Cc3cccc(C)c3)CC2)c1 19832133 ANALMXREFYDTJG-UHFFFAOYSA-N 294.442 3.621 0 40 CHAB C[C@H](NC(=O)c1ccoc1)C12CC3CC(CC(C3)C1)C2 12850057 KXHPGZFBJIPPKN-GVMDUPDNSA-N 273.376 3.614 0 40 CHAB O=c1oc2ccccc2n1Cc1cccc(C(F)(F)F)c1 54250 VBKGXURFEZUVQQ-UHFFFAOYSA-N 293.244 3.662 0 40 CHAB Cc1cc(C)c(C(N)=O)c(Oc2ccc(Cl)cc2C)n1 127903 ZKRIUGDTEVEZAE-UHFFFAOYSA-N 290.750 3.551 0 40 CHAB Fc1ccc(-c2cc([C@@H]3CCCCCN3)no2)cc1 12185184 QYJFKCBSSHPMPC-ZDUSSCGKSA-N 260.312 3.685 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCCC[C@@H]1C 36834109 JAXUUNLWWUVEFZ-SWLSCSKDSA-N 298.386 3.959 0 40 CHAB O=C(O)c1cc2occc2n1Cc1ccc(Cl)cc1 32501238 JHVAQZQWQOPQBD-UHFFFAOYSA-N 275.691 3.634 0 40 CHAB O[C@H](c1cc(F)cc(F)c1)c1ccccc1Br 55203372 OQTYVEHGTKPINS-CYBMUJFWSA-N 299.114 3.809 0 40 CHAB CC(C)c1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1 19322369 HNYLDXMXWHFACH-UHFFFAOYSA-N 284.447 3.856 0 40 CHAB biogenic COc1ccc(CCCC(=O)N2CCc3ccccc32)cc1 10777159 AQMWNORRFGPJOJ-UHFFFAOYSA-N 295.382 3.607 0 40 CHAB CCc1cccc(CC)c1NC(=O)[C@H]1CC1(Cl)Cl 9513143 RHFDIZBDUDMRQI-LLVKDONJSA-N 286.202 3.944 0 40 CHAB c1ccc(-n2cc(CN[C@@H]3CCc4ccccc43)cn2)cc1 53602532 PPGXXSWSJITSJG-LJQANCHMSA-N 289.382 3.649 0 40 CHAB Cc1c(C(=O)N2CCCC[C@H]2C)oc2c(F)cccc12 23191995 OLQLQWWWFZGPSJ-SNVBAGLBSA-N 275.323 3.895 0 40 CHAB CCCOc1ccc(C(=O)C(F)(F)F)cc1Cl 100793715 MQUKWWTUKKFASK-UHFFFAOYSA-N 266.646 3.874 0 40 CHAB Cc1cc(OCC(=O)NCC2CCCCC2)ccc1Cl 104556205 ULNHLKSFXJKOBR-UHFFFAOYSA-N 295.810 3.724 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccnc(Cl)c1 25384767 UEHZYANMCDYRNG-CQSZACIVSA-N 286.762 3.542 0 40 CHAB COCc1cccc(NC(=O)c2ccccc2Cl)c1 25334790 DRCUROQKEGZXQV-UHFFFAOYSA-N 275.735 3.739 0 40 CHAB COc1ccc2c(=O)nc(-c3ccccc3Cl)oc2c1 12619264 VUTBTDPGZMLKMN-UHFFFAOYSA-N 287.702 3.517 0 40 CHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccn1 27974659 TXENUMHPGPXLEJ-ZDUSSCGKSA-N 292.338 3.641 0 40 CHAB Cc1cccc(NC(=O)CCCc2nc3ccccc3[nH]2)c1 29053240 HGGPZVBHGGELFP-UHFFFAOYSA-N 293.370 3.833 0 40 CHAB CCc1ccccc1NC(=O)Cc1cccc(C)c1 8382886 SLUMJLQJWSZRDC-UHFFFAOYSA-N 253.345 3.739 0 40 CHAB COc1ccccc1NC(=S)Nc1ccc2conc2c1 409197675 LXKCUFGADDZUEY-UHFFFAOYSA-N 299.355 3.645 0 40 CHAB CCOC(=O)c1cc(C(F)(F)F)c2cc(F)ccc2n1 71261614 QKASHNUPMJZLQD-UHFFFAOYSA-N 287.212 3.569 0 40 CHAB CSCc1ccccc1NC(=O)c1scnc1C 97115875 VFSLUOSXLVOZBO-UHFFFAOYSA-N 278.402 3.567 0 40 CHAB C[C@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)[C@H](C)C1 72313569 LXCRJYGACYEXSY-UONOGXRCSA-N 298.390 3.525 0 40 CHAB C[C@@H]1Cc2ccccc2N1Cc1c[nH]nc1C(C)(C)C 95456978 BHPQVGMVYQCASK-GFCCVEGCSA-N 269.392 3.658 0 40 CHAB Cc1cnnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 159291 NKKVVVGMEYEXGG-UHFFFAOYSA-N 295.186 3.613 0 40 CHAB Cc1cccc(NC(=O)c2cc3ccccc3oc2=N)c1C 67190170 VWVFHUDLQUZVTJ-UHFFFAOYSA-N 292.338 3.781 0 40 CHAB Cc1ccsc1C(=O)Nc1cccc(Cn2cccn2)c1 32466678 OAPXSGBWDJSNGC-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB COC[C@@H](OC(C)C)c1ccc(Br)cc1 72220316 IYSOAZUBRXGHGY-GFCCVEGCSA-N 273.170 3.562 0 40 CHAB CCN(C(=O)c1cccc(C)c1)c1cccc(C)c1 32181284 PVKJASZGPBQRHL-UHFFFAOYSA-N 253.345 3.970 0 40 CHAB CCCOc1cc2oc(C(=O)O)cc2cc1Br 72219742 JXCQLODLZFDYCR-UHFFFAOYSA-N 299.120 3.682 0 40 CHAB Cc1cc(NC(=O)[C@H](C)S[C@H](C)c2cccs2)on1 77961505 RNWHSMQLDQBETI-ZJUUUORDSA-N 296.417 3.866 0 40 CHAB CC(C)(C)OC(=O)Nc1noc2ccc(Cl)cc12 72209035 ZIOYSWGEHDVFNM-UHFFFAOYSA-N 268.700 3.828 0 40 CHAB CC/C=C(\C)C(=O)N[C@H](C)c1ccc(Cl)s1 47639322 QVNNVPNURGLFPZ-WHXYTISESA-N 257.786 3.935 0 40 CHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1 225619828 NHQOGCIXHLPBCT-QGZVFWFLSA-N 293.407 3.928 0 40 CHAB CCCCO[C@H](Cc1ccc(CCCC)cc1)C(=O)O 225130034 FEJGONUUXUIIGU-MRXNPFEDSA-N 278.392 3.842 0 40 CHAB Cc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 40834711 NLXIMBPJRCEXKU-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Fc1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 225321757 JUEAGHGVWAPYTJ-KKFJDGPESA-N 298.814 3.954 0 40 CHAB Cc1ccc(/C=C/C(=O)NCC2=CCCCC2)cc1 223449563 PCWILQQQJRWRHC-VAWYXSNFSA-N 255.361 3.625 0 40 CHAB C[C@@H](c1cccnc1)N(C)Cc1cc(-c2ccccc2)[nH]n1 97375266 VEJNUUUJDAAPQC-AWEZNQCLSA-N 292.386 3.665 0 40 CHAB COc1ccc(C(=O)c2cc(C)c(C)cc2C)cc1OC 86493978 NMGQESUDTQSNCS-UHFFFAOYSA-N 284.355 3.860 0 40 CHAB CCN(CC)c1ccc(C(=O)COCc2ccccc2)cc1 394548867 AOMNWFZKBCGHAF-UHFFFAOYSA-N 297.398 3.932 0 40 CHAB O=C(NCc1ccco1)Nc1ccccc1SC(F)F 43552865 IGCGADNVIFEEKG-UHFFFAOYSA-N 298.314 3.916 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CCC(=O)CC2)CC1(C)C 1083104386 SYIHIZOSWFSHDT-UHFFFAOYSA-N 295.423 3.925 0 40 CHAB C/C(Cl)=C\Cc1c(C)[nH]c2ccc(C)cc2c1=O 13633438 STNBGAZIVJCZKY-BJMVGYQFSA-N 261.752 3.830 0 40 CHAB Cc1ccc(N)cc1NC(=O)c1ccc(C(C)C)cc1 19409979 QTDYNLDWXFYNLM-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB CC(C)C[C@@H](NCc1c(Cl)cccc1Cl)C(=O)O 19787819 HHFZGANQOAQIFB-GFCCVEGCSA-N 290.190 3.582 0 40 CHAB CSc1cccc(NC(=O)Cc2ccccc2F)c1 3548824 CFCOTYBOLSLRHV-UHFFFAOYSA-N 275.348 3.729 0 40 CHAB CCN(Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1 19074628 MQCHNQBHEHCVCK-UHFFFAOYSA-N 289.766 3.789 0 40 CHAB COc1ccc2occ(C(=O)c3cccs3)c2c1 54892 TXDONRRSHXDVTK-UHFFFAOYSA-N 258.298 3.734 0 40 CHAB Cc1cc(C)c(-c2nnc(-c3ccncc3)o2)cc1C 1278766 MDYATAKNNDAJOW-UHFFFAOYSA-N 265.316 3.724 0 40 CHAB CCC(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1 5083707 DMDHAIBCKPUMJN-UHFFFAOYSA-N 285.372 3.720 0 40 CHAB CCCCC(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732839 UJVYVWSVCIBODC-UHFFFAOYSA-N 295.404 3.771 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732872 WDIIWGKYPDCGNY-SNVBAGLBSA-N 295.404 3.627 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1nc(-c2ccco2)cs1 40111454 FPDFWAOWFOQEOK-JTQLQIEISA-N 274.345 3.698 0 40 CHAB CC(C)(C)Cc1nnc(NC(=O)c2ccc(F)cc2)s1 298937 JLYTYVNAIBWMJF-UHFFFAOYSA-N 293.367 3.518 0 40 CHAB COc1ccc2c(c1)[C@](C)(c1ccccc1)C[C@H](C(=O)O)C2 1615614 AEOUKUJQOHNJCC-KUHUBIRLSA-N 296.366 3.648 0 40 CHAB Br/C=C/c1ccccc1Br 2509744 QVAATRYVCKQWLN-AATRIKPKSA-N 261.944 3.815 0 40 CHAB in-vitro Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc1C 2767008 ZPWHGFMTJWNXKT-STQMWFEESA-N 272.373 3.502 0 40 CHAB CCCC[C@H](C(=O)c1ccccc1)N1CCCCC1 6379731 ACEVRBWGLLSTDJ-MRXNPFEDSA-N 259.393 3.914 0 40 CHAB COc1ccc(-c2c(C)nn3c(O)cc(C(C)C)nc23)cc1 100163330 HGBRZDLSZJICQO-UHFFFAOYSA-N 297.358 3.542 0 40 CHAB CCOc1ccccc1NC(=O)c1cc(C)cc(C)c1 505903 IJXVXQBFXACFES-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CCc2sccc2C1 12215451 YFBHECOBNHNMPW-UHFFFAOYSA-N 277.776 3.600 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1cccc(Cl)c1 975633 SGORFVPRVJPOLV-ZDUSSCGKSA-N 251.757 3.745 0 40 CHAB CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 20136666 QSPNPBCLLYHKDC-UHFFFAOYSA-N 283.755 3.947 0 40 CHAB O=C1N(c2ccccc2)[C@H](c2cccc(F)c2)C1(F)F 991596 AVTMXJVZVOQWRL-CYBMUJFWSA-N 277.245 3.549 0 40 CHAB Nc1nc(-c2ccc(Cl)cc2)c(Br)s1 57601879 QQFVAFAGXZKYMW-UHFFFAOYSA-N 289.585 3.808 0 40 CHAB Nc1nc(CSc2ccccc2F)nc2ccccc12 12551475 YWDXNWJRNFUWLN-UHFFFAOYSA-N 285.347 3.643 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 113945899 DBZOMKMKDQLCJZ-CVEARBPZSA-N 297.398 3.948 0 40 CHAB CCCC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC 27579675 VZJFZEVHRHUEBT-HNNXBMFYSA-N 296.842 3.639 0 40 CHAB Cc1ccc(Nc2nc(C)c(C(=O)O)s2)cc1Cl 20156542 HUDNNGXLSPSCOG-UHFFFAOYSA-N 282.752 3.855 0 40 CHAB Cc1ccc(NCc2cccc3c2OCCCO3)cc1 36167996 SAXCANOIFASSMR-UHFFFAOYSA-N 269.344 3.768 0 40 CHAB CCCc1ccc(NC(=O)Cn2cnc3ccccc32)cc1 10519789 GISLRVRWEWVECC-UHFFFAOYSA-N 293.370 3.628 0 40 CHAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3)c12 36354968 APFYDWZOTSFPMB-UHFFFAOYSA-N 295.342 3.907 0 40 CHAB c1ccc(CN2CC[C@H](c3cc[nH]n3)c3ccccc32)cc1 306144192 YYPRTRPCTBUKRV-INIZCTEOSA-N 289.382 3.952 0 40 CHAB COc1ccc(Cl)cc1CNc1ccccc1C(=O)O 2441069 WTDKCIDOPWTFCK-UHFFFAOYSA-N 291.734 3.659 0 40 CHAB COc1ccccc1-c1ccc(CNC(C)C)cc1 38070410 UGVJJVCKMNWIBG-UHFFFAOYSA-N 255.361 3.860 0 40 CHAB in-vitro CC[C@]1(C)C[C@H]([C@@H](CCN)c2ccccc2)CCO1 4027696 XFYDEOVNLBSXAJ-IXDOHACOSA-N 261.409 3.714 0 40 CHAB biogenic O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCC1 6154079 OYYPODFTXAIJHP-UHFFFAOYSA-N 291.354 3.969 0 40 CHAB CCCCC[C@@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1 13856418 SKOJEOOFUHSXJW-GFCCVEGCSA-N 288.391 3.875 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C 6435796 QEHJUPGOGGULER-JTNHKYCSSA-N 265.784 3.895 0 40 CHAB O=C(Nc1ccccc1)[C@@H]1COc2ccc(Cl)cc2C1 14180187 KFRPEFAYINXSSX-LBPRGKRZSA-N 287.746 3.530 0 40 CHAB CCc1ccccc1NC(=O)Cc1ccc(F)cc1 6649525 QYBZIUHFOHPYQT-UHFFFAOYSA-N 257.308 3.569 0 40 CHAB Cc1csc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)n1 5669766 FVGWIFRNEOOZIL-SECBINFHSA-N 296.779 3.511 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@H]1CCCC[C@H]1C 6964427 OCEPDGUSODCJRQ-CJNGLKHVSA-N 284.403 3.645 0 40 CHAB CCN1CCC[C@@H]1CNCc1ccc(Cl)cc1Cl 19371046 LGRBYCDQOCKYAU-CYBMUJFWSA-N 287.234 3.567 0 40 CHAB COc1cccc2cc([C@@H](C)NCCc3ccccn3)oc12 89904627 XFENJZSDFKBCJU-CYBMUJFWSA-N 296.370 3.730 0 40 CHAB Cc1cnc(C[S@](=O)Cc2cccc3ccccc23)o1 85223978 MWACUEPKVBMMAL-FQEVSTJZSA-N 285.368 3.585 0 40 CHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(F)c2)C1=O 409010305 BXHOEYPRSISSMB-YXYQAXARSA-N 279.336 3.661 0 40 CHAB CCOc1ccccc1C(=O)c1cc(F)ccc1C 55240155 OXEJVJXCLUJLBC-UHFFFAOYSA-N 258.292 3.764 0 40 CHAB COc1ccc(OCc2ccc(F)cc2Cl)c(C=O)c1 37022006 MKOFRCRLDRWEFW-UHFFFAOYSA-N 294.709 3.879 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 515470948 JUWCQSASYSYFDE-KCQAQPDRSA-N 275.779 3.511 0 40 CHAB Cc1cccnc1-c1nc(-c2ccccn2)cs1 72284214 BCVIBLAHQYXUCF-UHFFFAOYSA-N 253.330 3.576 0 40 CHAB Cc1ccccc1CNC(=O)c1sc(C(C)C)nc1C 32924173 VOSUUJZGWVZHRX-UHFFFAOYSA-N 288.416 3.813 0 40 CHAB Cc1cccc(NC(=O)Nc2cccc(C(=O)O)c2C)c1 61857451 IXNNSNVRFHRAOM-UHFFFAOYSA-N 284.315 3.646 0 40 CHAB FC(F)CSc1ccccc1Br 38529141 NLJXGONTLZYIJR-UHFFFAOYSA-N 253.111 3.806 0 40 CHAB CO[C@](C)(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 225645166 VSYOGSUWBGMDKY-KRWDZBQOSA-N 291.391 3.536 0 40 CHAB Cc1cccc(C)c1C[C@@H](OCc1ccccc1)C(=O)O 225032909 RJMIUZGRJGBBKI-QGZVFWFLSA-N 284.355 3.516 0 40 CHAB CCCC[C@H](CC)CNC(=O)[C@@H](c1ccccc1)N(C)C 225118447 WJKQPYGPWQFUOP-DOTOQJQBSA-N 290.451 3.622 0 40 CHAB C[C@@H]1CCC[C@H](CCN[C@H](c2ccncc2)c2ncc[nH]2)C1 225594317 OZLFOINJYVINDS-BFYDXBDKSA-N 298.434 3.700 0 40 CHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 225315301 QFMXASPTILPQNH-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB CN(Cc1ccncc1)[C@@H](c1ccccc1)c1ccccn1 95431937 AUMJLQTXCYILJD-IBGZPJMESA-N 289.382 3.698 0 40 CHAB Cc1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1 96077911 UJBCMDVTNHKQTA-LJQANCHMSA-N 274.367 3.978 0 40 CHAB Cc1nn(C2CCCC2)cc1CNc1cc(C2CC2)nn1C 256052919 PEIBWUSEIMSCSH-UHFFFAOYSA-N 299.422 3.530 0 40 CHAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccoc1 390827615 ZULBKZKTVBQOMK-CYBMUJFWSA-N 289.381 3.922 0 40 CHAB Cc1cc(C)c(CNCCCNc2ccncc2)c(C)c1 75108035 LSEVVMSWGDHJLO-UHFFFAOYSA-N 283.419 3.599 0 40 CHAB CC(C)(C)c1cnc(COc2ccccc2-c2nnco2)o1 97035107 MWIPCIXOZXWSJQ-UHFFFAOYSA-N 299.330 3.601 0 40 CHAB Cc1ccc([C@H](C)NCc2nc(C3CC3)cs2)o1 90458549 WCVOUYOPJKUDFN-JTQLQIEISA-N 262.378 3.773 0 40 CHAB O[C@@H](c1cc(F)cc(F)c1)c1cccc(Cl)c1 4242376 QMYZVECPIZFBQW-CYBMUJFWSA-N 254.663 3.700 0 40 CHAB CC1(C)CC2=C(Sc3ccccc3N2)c2n[nH]cc21 13637399 OAZCXLUOZYVQFB-UHFFFAOYSA-N 269.373 3.977 0 40 CHAB Cc1ccc(CN(CCCN(C)C)Cc2ccco2)s1 13992850 ALOCJEVBLSUHQD-UHFFFAOYSA-N 292.448 3.603 0 40 CHAB CCC[C@H](C(=O)Nc1nc(C)cs1)c1ccccc1 15007207 PODJPQZVIJBYBF-ZDUSSCGKSA-N 274.389 3.974 0 40 CHAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccco1)S2 16266281 HOXOCOMPXMLEAB-CQSZACIVSA-N 268.341 3.969 0 40 CHAB COC1=Cc2ccccc2/C(=C/C(=O)O)c2ccsc21 4731 XIKRQPKFOKKGGW-LCYFTJDESA-N 284.336 3.722 0 40 CHAB Nc1ccccc1SC[C@@H](O)CSc1cccs1 160147 DGNCTFGANNEYCV-SNVBAGLBSA-N 297.470 3.576 0 40 CHAB CCOc1cc(CNc2ccccc2C)ccc1O 19964927 DAKULFHHGDHZLD-UHFFFAOYSA-N 257.333 3.711 0 40 CHAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1cccs1 32878999 BYLNPYMCLLOGKB-YGRLFVJLSA-N 289.425 3.642 0 40 CHAB Cc1ccc2c(c1)s/c(=N\C(=O)C1CCCCC1)n2C 100813201 MSTIHRSEBXJKNU-MSUUIHNZSA-N 288.416 3.556 0 40 CHAB CC(C)OP(=O)(OC(C)C)[C@@H](N)Cc1ccccc1 35078611 KDKSZCWXFQVNPD-CQSZACIVSA-N 285.324 3.557 0 40 CHAB C[C@@H]1CCCN(C(=O)Nc2cccc(Br)c2)C1 40095239 DUUQTOAGYNJCII-SNVBAGLBSA-N 297.196 3.713 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1C 20373375 NAWJWJQYLATVAO-UHFFFAOYSA-N 295.386 3.551 0 40 CHAB CC(=O)Nc1cccc(C(C(F)(F)F)C(F)(F)F)c1 48063 VAJIGDUZNJPCLM-UHFFFAOYSA-N 285.187 3.853 0 40 CHAB CC(C)C(=O)Nc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 11717907 KJIMSWANXSPDMB-CYBMUJFWSA-N 286.375 3.576 0 40 CHAB CCCN1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2)C1 11841884 ICSUAVLOVCDTPJ-IBGZPJMESA-N 286.463 3.693 0 40 CHAB c1ccc(CSc2cnnc3ccccc23)cc1 1602205 JJDHLBSKAQFHBX-UHFFFAOYSA-N 252.342 3.922 0 40 CHAB Brc1ccc[n+](CCC2CCCCC2)c1 1665288 QCEXRXPUHUYSAA-UHFFFAOYSA-N 269.206 3.707 0 40 CHAB CCCc1cc2c(cc1NC(=O)Cc1ccccc1)OCO2 1670453 LPYPOMAFGWBAJL-UHFFFAOYSA-N 297.354 3.549 0 40 CHAB CCc1nn2c(C)c(-c3ccc(C)cc3)nc2s1 40963544 FXZUUEREFUNEJY-UHFFFAOYSA-N 257.362 3.637 0 40 CHAB Cc1ccc(CSCC(=O)NCc2cccs2)cc1 2954354 VQYVGVGRQPQUFB-UHFFFAOYSA-N 291.441 3.606 0 40 CHAB CC(C)NC(=O)c1cc2sccc2n1Cc1ccccc1 4971016 MKRDDSHLPWNTQQ-UHFFFAOYSA-N 298.411 3.889 0 40 CHAB C[C@H](c1ccccc1)c1ccccc1OCCN(C)C 6494459 PATHRCHITDYBRX-OAHLLOKOSA-N 269.388 3.779 0 40 CHAB CCc1ccccc1NC(=O)CCc1ccccc1F 8011262 LLWZCBIDRFDUFR-UHFFFAOYSA-N 271.335 3.959 0 40 CHAB c1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)nc1 529784 VWJBHAJZRMZXAZ-UHFFFAOYSA-N 290.370 3.682 0 40 CHAB OC1(C(O)(c2ccccc2)c2ccccc2)CCCCC1 34172993 DGEHFVOPIXIUDK-UHFFFAOYSA-N 282.383 3.618 0 40 CHAB c1coc(CNCCOc2cccc3ccccc23)c1 2266588 VOVTUAKMXQWTRM-UHFFFAOYSA-N 267.328 3.601 0 40 CHAB CCCCN1Cc2ccccc2C[C@@H]1c1nnc(CC)o1 58433521 UBLLTNPPVOOXDH-OAHLLOKOSA-N 285.391 3.532 0 40 CHAB Cc1nn(CN(C)C2CCCCCC2)c(=S)n1C1CC1 12983572 FTHWIBHDFBCRAR-UHFFFAOYSA-N 294.468 3.670 0 40 CHAB C[C@@H]1CCC[C@@H](N2CNc3nc4ccccc4n3C2)[C@@H]1C 4149133 KHXBHMXDHPEFQC-UMVBOHGHSA-N 284.407 3.504 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2ccc(C)cc2O)c1 14020154 OGJCHJDBCDFHSP-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB Cc1ccc(NC(C)(C)C)c(C)c1N1CCCC1=O 4561704 DTTDBEWIQCYEOX-UHFFFAOYSA-N 260.381 3.641 0 40 CHAB O=C(CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 5557303 QDEQULPHSODLKC-UHFFFAOYSA-N 283.415 3.704 0 40 CHAB O=C(c1cccs1)N1CCC(c2ccccc2)CC1 5682234 AEEBLZHYEPQMDV-UHFFFAOYSA-N 271.385 3.768 0 40 CHAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)C1 20722134 WLBRIBVFQUWGBV-MRVPVSSYSA-N 282.130 3.840 0 40 CHAB CCCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 7052924 ODFMHYBURPUSJL-UHFFFAOYSA-N 289.400 3.748 0 40 CHAB CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2)cc1 7240340 KWDAJROGCHRSRG-CYBMUJFWSA-N 268.360 3.688 0 40 CHAB S=C(Nc1ccccc1)Nc1ccc2snnc2c1 408992557 SKKJNMOCQLLXPX-UHFFFAOYSA-N 286.385 3.500 0 40 CHAB C[C@@H](Sc1nncn1C)c1ccc(C(F)(F)F)cc1 69530158 DSNOKGAAODPCCM-MRVPVSSYSA-N 287.310 3.687 0 40 CHAB CC(C)(C)SCCNC(=O)c1cccc(Cl)c1 84240976 MFTOKUJNICGFNS-UHFFFAOYSA-N 271.813 3.602 0 40 CHAB O=C(NCc1cc(F)cc(F)c1)c1cc(F)ccc1Cl 72331786 YQUFZJNWMYBGMK-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB O=C(Nc1cc(-c2ccccc2)ns1)C1CCC1 78792172 IQSQDPIWMLMHIC-UHFFFAOYSA-N 258.346 3.549 0 40 CHAB Cc1ccc(NC(=O)c2ccc3ncccc3c2)c(C)c1O 95972492 YMDBXNGXVFGIDM-UHFFFAOYSA-N 292.338 3.810 0 40 CHAB CCN1CCCC[C@@H]1c1cnc(N2CCCC2)cc1C 72218876 YZSNRHOBRDSALU-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB C[C@@H]1Cc2cc(CNc3ccc(F)cc3)ccc2O1 10299602 FNTZRSDCYHYGCY-LLVKDONJSA-N 257.308 3.761 0 40 CHAB CN1CCC[C@@H](Nc2cccc(Oc3ccccc3)c2)C1=O 537605181 PBCFMVXVTACBPO-QGZVFWFLSA-N 296.370 3.512 0 40 CHAB CN1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216656 JSZKNZWRGNWSBD-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB Cc1cc(Nc2ccccc2)ncc1Br 42783983 PVVULYIUQLVRCA-UHFFFAOYSA-N 263.138 3.896 0 40 CHAB CN1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 72212125 HHESBKMRILLWOC-HNNXBMFYSA-N 254.333 3.641 0 40 CHAB Cc1cccc(NC(=O)c2cc3cccc(C)c3oc2=O)c1 226034385 YFIDBAGJVZAUAK-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB COc1cccc(CC(=O)c2c[nH]c3ccc(OC)cc23)c1 199734684 IXHQFZIQXPEGFF-UHFFFAOYSA-N 295.338 3.611 0 40 CHAB Cc1ccc2ccccc2c1[C@@H](O)c1cccc(N)c1 226294450 RPNNTCYMXQSQDR-SFHVURJKSA-N 263.340 3.812 0 40 CHAB CC(C)c1ccc(OC[C@H]2CCNC2)c(Br)c1 42770516 VYIAAOFQHSLVGP-NSHDSACASA-N 298.224 3.561 0 40 CHAB O=C(O)[C@H](Cc1ccccc1F)Oc1ccccc1Cl 225050619 RBHDXHJUGAFPNC-AWEZNQCLSA-N 294.709 3.554 0 40 CHAB O=C(O)[C@@H](Cc1ccccc1Cl)OCc1ccccc1 225057819 YXNSATSPJWUQRT-OAHLLOKOSA-N 290.746 3.553 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)NCC1=CCCCC1 223385539 ISJLFPTWSRXVBP-DHZHZOJOSA-N 275.779 3.970 0 40 CHAB O=C(c1cc(F)cc(Cl)c1)C(F)(F)C(F)(F)F 95916244 NJWFRBDLZLFVIM-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB CCc1nc(-c2ccccc2OC(C)C)ccc1C(=O)O 585265981 WVNYFIQQRBKXIM-UHFFFAOYSA-N 285.343 3.796 0 40 CHAB COc1ccccc1CN(C)C(=S)Nc1ccccc1 16313921 FXXUPGPYYQMLQI-UHFFFAOYSA-N 286.400 3.524 0 40 CHAB CC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 69879256 PLEXJXKOGOIFCS-QMMMGPOBSA-N 294.807 3.969 0 40 CHAB CCC(CC)c1nnc(NC(=O)c2ccccc2F)s1 804640 IPOGQOLMJIAXFO-UHFFFAOYSA-N 293.367 3.833 0 40 CHAB CC[C@H]1CCCCN1CC(=O)c1c[nH]c2ccccc12 5163598 RBQNQFMKPXTQKL-ZDUSSCGKSA-N 270.376 3.615 0 40 CHAB CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1CCO 5285166 WIMJDYXXOHMMBC-UHFFFAOYSA-N 284.423 3.880 0 40 CHAB CCCOC(=O)Nc1nc2ccc(C)cc2s1 5708056 GVPZGKIPUMHWDC-UHFFFAOYSA-N 250.323 3.563 0 40 CHAB COc1ccccc1NC(=O)Nc1cc(C)cc(C)c1 18172539 CUAGZVDGTVYQDD-UHFFFAOYSA-N 270.332 3.956 0 40 CHAB CC(C)(C)c1csc(=NCC2CC2)n1C(C)(C)C 575628253 OPAXOSCTKXZKHE-UHFFFAOYSA-N 266.454 3.913 0 40 CHAB CC[C@@H](C)NC(=S)Nc1cccc(Br)c1 8103988 TUUBJLRLHZBHCD-MRVPVSSYSA-N 287.226 3.534 0 40 CHAB Cc1cc(NC(=O)c2cc3ccccc3o2)n(C(C)C)n1 11695202 NUKKEZBSAOKPJQ-UHFFFAOYSA-N 283.331 3.771 0 40 CHAB O=C(c1cccc(OCc2cccc(F)c2)c1)C1CC1 575357351 HUTVGIXQXCVLNC-UHFFFAOYSA-N 270.303 3.997 0 40 CHAB O=C(CCc1ccccc1)NCc1ccc(-c2ccco2)o1 575609529 XAARZXRXAGBLRA-UHFFFAOYSA-N 295.338 3.789 0 40 CHAB O=C(Nc1cccc2cccnc12)Oc1ccccc1 2566709 KARNVYCWFHHIFO-UHFFFAOYSA-N 264.284 3.846 0 40 CHAB CO[C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 20149801 KEEBMZSFKIZDEV-IFXJQAMLSA-N 295.382 3.809 0 40 CHAB COCc1ccccc1NC(=O)N[C@H](C)c1ccccc1 40527955 AKFXGYFXOKCOMD-CYBMUJFWSA-N 284.359 3.716 0 40 CHAB c1ccc(-c2csc3ncnc(NC4CC4)c23)cc1 66500 QLGYWBBRNBOGJV-UHFFFAOYSA-N 267.357 3.933 0 40 CHAB COc1cccc(CN(C)c2nc3ccccc3nc2C)c1 29402253 GAHYVKADBLZYTJ-UHFFFAOYSA-N 293.370 3.583 0 40 CHAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1 217271 YDWXOUSZTLISCA-WBMJQRKESA-N 282.387 3.852 0 40 CHAB C1=CO[C@@]2(N3CCN(c4ccccc4)CC3)CCCC[C@H]2C1 1706583 CYUSZIDJYHFRGG-HKUYNNGSSA-N 298.430 3.629 0 40 CHAB O=C(O)c1ccccc1C(=O)O[C@H]1CCCc2ccccc21 2046070 FZBWIPGCMHFRTD-INIZCTEOSA-N 296.322 3.619 0 40 CHAB COc1cc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1O 4027083 SOHWVJPJRLXISV-AYJJNYRMSA-N 288.387 3.937 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@]2(C)O 4655129 JXQJDYXWHSVOEF-HVMFNXBNSA-N 286.415 3.999 0 40 CHAB CCCOc1ccc(C(=O)n2cnc3ccccc32)cc1 7649247 CPIKXPZBQDIEFI-UHFFFAOYSA-N 280.327 3.514 0 40 CHAB CCc1ccc(CC(=O)Nc2ccc(F)cc2F)cc1 10701382 CUMPEIBOARRBTN-UHFFFAOYSA-N 275.298 3.708 0 40 CHAB c1ccc(CCNc2ncnc3c2[nH]c2ccccc23)cc1 543242 PJUAYVULLDZNPC-UHFFFAOYSA-N 288.354 3.766 0 40 CHAB Nc1ccccc1Oc1ncc(Cl)cc1Cl 22142640 CFYOGGBCGWDCSU-UHFFFAOYSA-N 255.104 3.763 0 40 CHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCCc2ccccc21 22956023 WDSSWTBNASPKSC-GFCCVEGCSA-N 285.391 3.881 0 40 CHAB CN(C)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1 1001224 DJWXHCVCAHPPID-UHFFFAOYSA-N 297.383 3.615 0 40 CHAB O=C(CCc1cccc(F)c1)Nc1cnc2ccccc2c1 25157385 RSWNPEVWJZCVGH-UHFFFAOYSA-N 294.329 3.945 0 40 CHAB O=C(Nc1ccc(Cl)cc1)OCc1cncs1 1403737 DEQFNEZUYTWTQI-UHFFFAOYSA-N 268.725 3.545 0 40 CHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(F)c1 3333155 GJVLNYPWTQUVTP-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1 2329722 MRPWMJUQIHSLRT-GXTWGEPZSA-N 277.364 3.542 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)no2)cc1 6276047 JEDJJXJFUQPFJJ-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB Cc1nc2ccccc2n1CC(=O)Nc1ccccc1Cl 5238397 BOZYCTBISMORQS-UHFFFAOYSA-N 299.761 3.637 0 40 CHAB O=C(Nc1nc2c(s1)CCC2)c1ccccc1Cl 6527379 VURCVMYWKUKQTF-UHFFFAOYSA-N 278.764 3.538 0 40 CHAB COc1ccc([C@H](N[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 9047381 LLBTWBHSCBMVQB-NVXWUHKLSA-N 291.435 3.940 0 40 CHAB c1ccc2sc(CSc3nnc(C4CC4)o3)nc2c1 7288657 MPWONVNTRUXCLB-UHFFFAOYSA-N 289.385 3.849 0 40 CHAB O=C(Nc1ccc(F)cc1)c1c(F)cccc1Cl 7639036 KYWILUYHMXKPHC-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCCCCC1 7781793 XNCYUWBPMNLQLB-CQSZACIVSA-N 284.403 3.924 0 40 CHAB CC(C)CN[C@@H](C)c1ccccc1Br 19883074 DFMFZIVIWUYHPF-JTQLQIEISA-N 256.187 3.756 0 40 CHAB O=C(c1ccncc1)N(CC(F)F)c1cccc(Cl)c1 84367826 OFJVJIHHRUVOPE-UHFFFAOYSA-N 296.704 3.647 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 20460743 AUGOFRBQKFFNDS-HOTGVXAUSA-N 297.398 3.948 0 40 CHAB CCCSc1nnc(C)n1-c1ccc(C)c(C)c1 409105327 MUFJWWVFNRXBNM-UHFFFAOYSA-N 261.394 3.695 0 40 CHAB CCCCN1CCCC[C@@H]1c1ccc(NC2CC2)nc1 72213802 OFMBPYTWFHKRAU-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB CCc1nnc(Nc2ccc(F)c(Cl)c2)s1 32610974 PLSDHBHIPVHPTK-UHFFFAOYSA-N 257.721 3.637 0 40 CHAB Cc1n[nH]c(SCc2ccc3ccccc3c2)n1 71259210 QOFSOIZDCVIIGW-UHFFFAOYSA-N 255.346 3.559 0 40 CHAB Cc1ccc([C@H]2CCCN2C(=O)C2CCCC2)cc1 32754091 PBRWDUHNJVCAMJ-MRXNPFEDSA-N 257.377 3.849 0 40 CHAB Cc1csc(CN[C@H](C)c2ccccc2Cl)n1 38090743 XFJDXCAHPUSFJP-SNVBAGLBSA-N 266.797 3.956 0 40 CHAB CC(C)c1ccc(C(=O)c2ccc3c(c2)OCO3)cc1 36819387 GLSKNJBRDJVSCK-UHFFFAOYSA-N 268.312 3.770 0 40 CHAB Cc1cc([C@@H](C)N)cnc1SCc1ccccc1 72222415 RFJVAEALJPNKOO-GFCCVEGCSA-N 258.390 3.702 0 40 CHAB CCC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 224120797 ASLMSFIWOIWRTH-CQSZACIVSA-N 273.376 3.739 0 40 CHAB O=C(CCc1ccc(Cl)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 225302809 JAHQWKVZZZYOAN-NFAWXSAZSA-N 277.795 3.577 0 40 CHAB CC[C@H](C)n1c([C@@H](C)O)nc2cc(Cl)ccc21 40407645 HIZJUPGOIPVYGI-DTWKUNHWSA-N 252.745 3.714 0 40 CHAB Cc1ccc2nc(-c3ccc(N)cc3O)sc2c1 45923392 GHHICEUEKOKQOF-UHFFFAOYSA-N 256.330 3.560 0 40 CHAB C(=C/c1ccc2ccccc2n1)\c1ccc(-n2ccnc2)nc1 84502720 HUBXTWWLWAGLLG-VMPITWQZSA-N 298.349 3.986 0 40 CHAB Cc1cc(C)c(C(=O)NCCCc2ccccc2)cc1C 225644859 QUKPGYXOXSFVMR-UHFFFAOYSA-N 281.399 3.974 0 40 CHAB CC(C)(C)c1ccc(N2CCN[C@@H]3CCCC[C@@H]32)cc1 225714411 FAEJKDIDUFPESY-SJORKVTESA-N 272.436 3.705 0 40 CHAB Cc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)c(Cl)c1 226274298 QXNSQNGYNOUEDI-NSHDSACASA-N 289.762 3.954 0 40 CHAB CN(Cc1cccc(-c2cccnc2)c1)Cc1nccs1 93582358 AKKDPMANOCAUAV-UHFFFAOYSA-N 295.411 3.837 0 40 CHAB COc1ccc(CC(=O)c2cc(F)cc(Cl)c2)cc1 95916239 FSIKFIIAUGVUND-UHFFFAOYSA-N 278.710 3.913 0 40 CHAB CO[C@@H](CNC(=O)Nc1ccccc1C)c1ccccc1C 96105177 GNVSVOVJIGRACJ-KRWDZBQOSA-N 298.386 3.813 0 40 CHAB COC(=O)CCCCC(=O)c1cccc(Cl)c1C 575357986 WJXWZYZEVJTNLZ-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB CN(Cc1nc2ccccc2n1C)CC1CCCCC1 6677905 HZCHJZIOHZOQNK-UHFFFAOYSA-N 271.408 3.585 0 40 CHAB CCOc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 12822034 HWMDKQDOOYIBOA-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB O=C(Nc1cccc(F)c1)Nc1ccc(F)cc1F 18176873 TYSIIUCSGSNCLB-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB Cc1cc(C)c(C(=O)COc2ccccc2)c(C)c1 35183885 DJLVNWVPOXKURC-UHFFFAOYSA-N 254.329 3.874 0 40 CHAB O=C(Cc1ccccc1)c1cc(F)c(F)c(F)c1 43391826 UYBFYHOAQQOHJZ-UHFFFAOYSA-N 250.219 3.529 0 40 CHAB CCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 40156500 IZQOCONKQCGTSX-UHFFFAOYSA-N 289.206 3.933 0 40 CHAB CCc1nc2ccccc2n1Cc1ccc(OC)c(OC)c1 794531 ZRLMPDSWZNVYRE-UHFFFAOYSA-N 296.370 3.664 0 40 CHAB COc1cc2c(cc1O)[C@H](C)[C@@H](c1ccccc1)O2 1560391 FRERFZXINXYHDY-QFYYESIMSA-N 256.301 3.638 0 40 CHAB biogenic,in-vitro CNC[C@H]1c2ccccc2CSc2c(OC)cccc21 2021862 QUMQGGVPNQOFAT-HNNXBMFYSA-N 285.412 3.652 0 40 CHAB CCOP(=O)(Cc1cc(C(=O)CC)c(C)o1)OCC 2294433 BDHAQAPRBNYTGI-UHFFFAOYSA-N 288.280 3.947 0 40 CHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=O 3201371 DNXHEGUUPJUMQT-CUSZFKRNSA-N 270.372 3.817 0 40 CHAB O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2ccccc12 40940958 NIKGJQQXRGTSIM-UHFFFAOYSA-N 291.137 3.897 0 40 CHAB in-vitro CCOc1ccccc1C(=O)Oc1cc(C)ccc1C 363141 NKFUVLFGZBBDKA-UHFFFAOYSA-N 270.328 3.921 0 40 CHAB Cc1cc(C)cc(-c2nnc3sc(C(C)C)nn23)c1 385136 CXCFAXQENJJHEC-UHFFFAOYSA-N 272.377 3.593 0 40 CHAB Cc1cc2nc(NC(=O)c3ccco3)sc2cc1C 363094 AGWXJMATMIBDPG-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB CCCSc1nc(-c2ccc(Br)cc2)n[nH]1 6481893 COUUZKIRFCFZMN-UHFFFAOYSA-N 298.209 3.736 0 40 CHAB COc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 7644672 PWNLEQNCJTXFCH-NSHDSACASA-N 289.762 3.840 0 40 CHAB O=C(Cc1ccccc1F)NCC1(c2ccccc2)CCC1 32865907 NINKPVXHGYGPQR-UHFFFAOYSA-N 297.373 3.606 0 40 CHAB CCc1ccc(CCC(=O)N(C)Cc2ccccc2)cc1 10333361 DYDINLPEBXBEON-UHFFFAOYSA-N 281.399 3.840 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 103107008 UYRIPAJMUINYJF-YXMPFFBPSA-N 276.355 3.772 0 40 CHAB CCOc1cccc(/C=C/C(=O)NC2CCCCC2)c1 59843374 XELPUYVWOXSLOW-VAWYXSNFSA-N 273.376 3.547 0 40 CHAB CCCc1cc(Br)ccc1O[C@@H]1CCCNC1 42774464 XLEGUFJKQJPKBL-CYBMUJFWSA-N 298.224 3.532 0 40 CHAB O[C@H](Cc1nc2ccccc2s1)c1ccccc1 24013629 OGBGGQCTNRJNCT-CYBMUJFWSA-N 255.342 3.572 0 40 CHAB Nc1cc(C(F)(F)F)ccc1SCC(F)F 37756086 KPWYYXFLXMOIQM-UHFFFAOYSA-N 257.227 3.645 0 40 CHAB in-vitro C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(F)cc1 3206313 YFPKHIBGCPRLBH-JTQLQIEISA-N 278.352 3.640 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2ccnc(-c3ccccc3)n2)C1 58307497 KUPKGYGNEDCHNL-ZIAGYGMSSA-N 267.376 3.626 0 40 CHAB CCc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 3563955 ALTNLVGNLRLIFW-UHFFFAOYSA-N 273.763 3.832 0 40 CHAB Cc1cc([C@H]2CCCN2c2nc3ccccc3s2)no1 13004133 BICDNKXJDYCFIJ-CYBMUJFWSA-N 285.372 3.934 0 40 CHAB Cc1cc(C(C)(C)C)cc(C)c1C[n+]1cccc(O)c1 6541236 TTXXLFDOQAPEMQ-UHFFFAOYSA-O 270.396 3.642 0 40 CHAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccco1 4616696 FFLSURREMQMWPN-VIZOYTHASA-N 297.354 3.792 0 40 CHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC(C)C 22527250 YKLRBGRESVWYEJ-HNNXBMFYSA-N 271.360 3.522 0 40 CHAB Cc1c(N)cccc1NC(=O)COc1ccccc1C(C)C 19736247 ITNMDBCEYGRPPR-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB CCCOc1cccc(C(=O)Nc2cc(N)ccc2C)c1 19736131 UTWYBLNEHGPOQH-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Cc1ccc(N(C)C(=O)c2ccc3cnncc3c2)cc1C 408979733 RXANXLGHNOPWRZ-UHFFFAOYSA-N 291.354 3.523 0 40 CHAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2O 118935554 MGZZPWXYQSLHGQ-LOOUSXENSA-N 292.463 3.751 0 40 CHAB CC(C)C[C@H](C)NCc1ccnc(N2CCCCCC2)c1 95967815 MUSZUQKNINJFBV-INIZCTEOSA-N 289.467 3.986 0 40 CHAB CC[C@@H](N[C@@H](C)c1nnc(C)o1)c1ccc(Cl)cc1 95984391 WJZNOUVNHVWRKE-TVQRCGJNSA-N 279.771 3.833 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1 74364015 GGZHODQDLMUDFT-GJZGRUSLSA-N 283.371 3.640 0 40 CHAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CC1 32788022 OWPQECPBACGOJZ-UHFFFAOYSA-N 285.318 3.753 0 40 CHAB CN1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214392 GICYPCORBSSIND-ZDUSSCGKSA-N 291.395 3.585 0 40 CHAB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1Cl 43879470 ZEOGBHNFARNCLO-WDEREUQCSA-N 280.751 3.804 0 40 CHAB Cc1ccc(Cc2ccc(C(=O)O)n2CC(C)C)cc1 226029425 DPKYGUPZBZRKGG-UHFFFAOYSA-N 271.360 3.742 0 40 CHAB Fc1ccc(Br)cc1OC(F)(F)Cl 95215758 YESVTHFFHKHMBL-UHFFFAOYSA-N 275.451 3.756 0 40 CHAB O[C@@H](c1ccc(Br)c(Cl)c1)C(F)(F)F 236546856 GRRMRHIHIKXJGB-ZETCQYMHSA-N 289.478 3.698 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1 20452847 NTRLWRJFRQCEAQ-UHFFFAOYSA-N 259.736 3.612 0 40 CHAB CC(=O)c1ccccc1NC(=O)Nc1ccccc1F 6022747 QILLGEWRQWPBPG-UHFFFAOYSA-N 272.279 3.672 0 40 CHAB O=C1CCCCCCCCCCC[C@H](O)CCO1 5375073 NDMILKAXSZWKQE-AWEZNQCLSA-N 256.386 3.585 0 40 CHAB Cc1ccc(CCCNC(=O)c2ccccc2C)cc1 13648625 PPRRVCTVUALKHZ-UHFFFAOYSA-N 267.372 3.666 0 40 CHAB CCSc1ccc(C(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 15441526 XFKVGMXHEPOATF-UONOGXRCSA-N 292.400 3.872 0 40 CHAB COc1ccc(/C=C\c2ccc3ccccc3[n+]2[O-])cc1 16215934 PRYRPXHPCFQOIU-POHAHGRESA-N 277.323 3.652 0 40 CHAB Cc1cccc(CNC(=O)CCC2CCCCC2)c1 16349179 OZXOWPXXQQPMQI-UHFFFAOYSA-N 259.393 3.972 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1-c1ccccc1O 357216 XUMKJXMWSPNMSW-UHFFFAOYSA-N 264.328 3.862 0 40 CHAB O=C(NCc1cccs1)c1ccc(Cl)cc1Cl 139411 VTRZUSSECLYAEW-UHFFFAOYSA-N 286.183 3.985 0 40 CHAB O=C1CCCN1c1nc(-c2ccccc2Cl)cs1 8150755 QFPAITCNXJOFBX-UHFFFAOYSA-N 278.764 3.590 0 40 CHAB CC(C)(C)c1cc(OC(=O)C2CCCC2)ccc1O 363893 PQQFGPKGUVZXLN-UHFFFAOYSA-N 262.349 3.785 0 40 CHAB O=C(c1ccccc1)c1ccc(Br)cc1F 32625195 NEQRGFYWKQXNBT-UHFFFAOYSA-N 279.108 3.819 0 40 CHAB CCC[C@H]1[C@@H](CC)C[C@H](CC)[C@H](O)[C@@]1(CC)CO 4578836 IYPYZCBRSAZZKB-QXKUPLGCSA-N 256.430 3.608 0 40 CHAB O=NN(c1ccc(Br)cc1)c1ccccn1 4774510 XXPXGKGTBHDZCN-UHFFFAOYSA-N 278.109 3.664 0 40 CHAB C=C1c2ccc(OC)cc2NC(=O)N1c1ccccc1 477482 IWJAZTXZWOLFNR-UHFFFAOYSA-N 266.300 3.718 0 40 CHAB CC(C)CN(c1ncnc2sc3c(c12)CCC3)C1CC1 32926960 SQFDWMQIDQGMSD-UHFFFAOYSA-N 287.432 3.805 0 40 CHAB O=C(c1ccc(F)cc1)N1CCc2[nH]c3ccccc3c2C1 526271 HNXHNCXRJJZJDA-UHFFFAOYSA-N 294.329 3.506 0 40 CHAB biogenic O=C(O)Cc1nc(-c2cccc3ccccc23)cs1 20432898 AVNHUGJNGGIJIL-UHFFFAOYSA-N 269.325 3.590 0 40 CHAB C[C@@H]1CCc2onc(-c3nnc(-c4ccccc4)o3)c2C1 2803649 JCVJBNHCIDXFTQ-SNVBAGLBSA-N 281.315 3.516 0 40 CHAB COC(=O)/C(=C\c1cccs1)CC(=O)c1ccccc1 12338459 CLEOGCLKXZWVRN-RAXLEYEMSA-N 286.352 3.578 0 40 CHAB Fc1ccc(-c2noc([C@@H]3Cc4ccccc4N3)n2)cc1 35660381 KXVAWXNAPOLWGT-AWEZNQCLSA-N 281.290 3.585 0 40 CHAB in-vitro O=C(/C=C/c1cccs1)N1CCC[C@@H]1c1ccncc1 27269602 VDWSJLARFNLDCF-LLYBFZRZSA-N 284.384 3.520 0 40 CHAB CC(=O)c1ccc(NC(=O)C2[C@H]3CCC=CCC[C@@H]23)cc1 17720262 JXZJEKZWRPLWPV-SJPCQFCGSA-N 283.371 3.820 0 40 CHAB Cc1[nH]c2ccccc2c1CCNCc1cccs1 23650140 WOXRCIZWECJOQA-UHFFFAOYSA-N 270.401 3.870 0 40 CHAB Cc1cc(NC(=O)CC(C2CC2)C2CC2)nc(C(C)C)n1 60302469 JASQOQRQEBAARB-UHFFFAOYSA-N 287.407 3.673 0 40 CHAB CN(C(=O)CSCc1ccc(F)cc1)c1ccccc1 20454841 LRGUQHQAWOWGRI-UHFFFAOYSA-N 289.375 3.722 0 40 CHAB CC(=O)c1cccc(NC(=O)/C=C/c2ccccc2F)c1 3561752 VPVBEHCWIIQFPB-MDZDMXLPSA-N 283.302 3.680 0 40 CHAB O=Cc1nc2ccccc2n1CCC1CCCCC1 8436667 BXSIYHBFPLTNQU-UHFFFAOYSA-N 256.349 3.819 0 40 CHAB Cc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)cc1 20632971 DUIPBDLLXZGPJR-UHFFFAOYSA-N 268.360 3.644 0 40 CHAB c1ccc(OCCSc2nnc(-c3ccco3)o2)cc1 4050134 DQASWVNDBKBYQK-UHFFFAOYSA-N 288.328 3.501 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccccc1F 5467800 IRLQASDTWHMTCO-LBPRGKRZSA-N 251.345 3.772 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)CSc1ccccn1 4835287 XORHSDFKBNYKBV-UHFFFAOYSA-N 292.791 3.774 0 40 CHAB Cc1c(C(=O)CN2CCCC[C@H]2C)c2ccccc2n1C 4806889 HLLZBTVILLVLKH-CYBMUJFWSA-N 284.403 3.544 0 40 CHAB Cc1ccc(-c2nonc2NC(=O)c2cccs2)cc1C 15670741 JDRFKVNEKKAWLQ-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CCCc1cc(C(=O)Nc2nnc(CC)s2)sc1C 7347559 NDWRSJCQFKZYJD-UHFFFAOYSA-N 295.433 3.675 0 40 CHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCCCCC1 7339507 OLYBVEMMSRDXDJ-CYBMUJFWSA-N 270.376 3.615 0 40 CHAB COc1ccc2nc(NC(=O)c3ccccc3)sc2c1 8997579 ADVAKZKECLPQAL-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB C[C@@H]1CCN(C(=O)NCc2ccco2)[C@@H](c2ccco2)C1 76082534 PNERRZFEBSPRMS-TZMCWYRMSA-N 288.347 3.555 0 40 CHAB CN(C(=O)CCc1cccc(Cl)c1Cl)C1CCC1 72296993 UBTKRFDMRKTTGE-UHFFFAOYSA-N 286.202 3.937 0 40 CHAB COc1ccc(CN[C@@H](C)c2ccc(C)s2)s1 95418513 GIKXYOPWYYGJGP-JTQLQIEISA-N 267.419 3.977 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccccc3cc2O)nc1 23054814 ZCIRCFUJVQPTMW-UHFFFAOYSA-N 278.311 3.501 0 40 CHAB CCC(=O)c1ccc(OCc2noc(-c3ccco3)n2)cc1 31681109 OYVIBTCYAXYKRY-UHFFFAOYSA-N 298.298 3.501 0 40 CHAB Cc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72211265 KBXXIIGYXQIAIE-CQSZACIVSA-N 276.380 3.852 0 40 CHAB CCN1CCC[C@H]1c1ccc(SC(C)C)nc1 72217473 XRFJEEBWVLLLOV-ZDUSSCGKSA-N 250.411 3.739 0 40 CHAB CC(C)n1c(CCCCCN)nc2cc(Cl)ccc21 37440621 YZGREYTYOOWWHD-UHFFFAOYSA-N 279.815 3.942 0 40 CHAB Fc1ccc(COc2ccc3c(c2)OCO3)c(Cl)c1 72100035 IOCZDCSEJVOTLL-UHFFFAOYSA-N 280.682 3.787 0 40 CHAB COc1ccc(CCC(=O)Nc2ccccc2C)cc1C 223255486 JBNKDWSSPSMCNW-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1Cl 225687172 LHNXWHUNNWALPN-HNNXBMFYSA-N 299.798 3.882 0 40 CHAB CC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 88226832 PMELHOPKXDYEOE-KRWDZBQOSA-N 285.774 3.986 0 40 CHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(C)(C)F 195579197 OVIAQOAXFAIIGW-JTQLQIEISA-N 286.416 3.842 0 40 CHAB COC(=O)c1ccc(CCc2ccccc2)n1CC(C)C 226028411 BTSLPTNVMLZMMQ-UHFFFAOYSA-N 285.387 3.716 0 40 CHAB Nc1c(Cl)cc(Cc2ccncc2)cc1Cl 45920183 SBLUMGNTGSEAIY-UHFFFAOYSA-N 253.132 3.561 0 40 CHAB CCc1ccc(CC(=O)N[C@@H](C)c2ccccc2OC)cc1 224232043 LZNOUKSGYCPLDP-AWEZNQCLSA-N 297.398 3.678 0 40 CHAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O 93487871 VTCNKQPZPFNZDJ-ZIAGYGMSSA-N 295.423 3.925 0 40 CHAB CC(C)NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 141029419 GVNJDEUADCHOLP-UHFFFAOYSA-N 293.750 3.650 0 40 CHAB CCCOc1cnc2ccc(Br)cc2c1 548478372 CPQCMOMNMMVJAO-UHFFFAOYSA-N 266.138 3.786 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc(Cl)c(F)c1C(=O)O 95917799 WBFBXHLREWMWNK-UHFFFAOYSA-N 289.690 3.524 0 40 CHAB in-vitro CCC1=C(C)CCN(C)[C@@H]1Cc1ccc(OC)cc1 5553077 AHSPWXSKMOGFRH-QGZVFWFLSA-N 259.393 3.668 0 40 CHAB O=C1CN2CC[C@@H]1C/C2=C\c1ccnc2c(Cl)cccc12 13146944 HREIQFLOPSXSOD-FMNNIJNLSA-N 298.773 3.524 0 40 CHAB Cc1cccc(NC(=S)Nc2ccc(Cl)cc2)n1 13223187 KZGNLJVFKSDIRM-UHFFFAOYSA-N 277.780 3.852 0 40 CHAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 14397646 WMOKKVYWTGYLJL-CQSZACIVSA-N 299.370 3.800 0 40 CHAB CC(C)c1ccc(NC(=O)c2cccc(N)c2)cc1 19407084 CDTVQBJYRNDEEK-UHFFFAOYSA-N 254.333 3.645 0 40 CHAB F[C@H]1[C@](F)(Cl)[C@](F)(Cl)[C@](F)(Cl)[C@]1(F)Cl 253475998 FQFOJXUQZIYKKN-CTPMEXECSA-N 297.865 3.957 0 40 CHAB CC1(C)C[C@H]([C@H]2NCCc3c2[nH]c2ccccc32)CCO1 518096 TYMZPQWLYHQVOT-MLGOLLRUSA-N 284.403 3.560 0 40 CHAB biogenic C[C@@H]1C[C@@H]1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 14199303 ZOVVTZGROAUXGD-PXAZEXFGSA-N 299.345 3.890 0 40 CHAB Cc1cc(NC(=O)N[C@H](C)c2ccc(Cl)s2)no1 27350141 MBLNENRSFCXTPD-SSDOTTSWSA-N 285.756 3.581 0 40 CHAB CCOc1ccc([C@@H](C)NC(=O)c2cccs2)cc1 13329300 GRUZSQGZTRTCEQ-LLVKDONJSA-N 275.373 3.638 0 40 CHAB Cc1ccc(NC(=O)C(C)C)c(C(=O)c2ccccc2)c1 381367 ANPAXJSLGFYUGC-UHFFFAOYSA-N 281.355 3.821 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2N 4451754 SXFQJBRXNODJBV-LOVVWNRFSA-N 289.463 3.637 0 40 CHAB biogenic O=C(Nc1ccc2scnc2c1)c1cccs1 10217417 MQPVBHZQSZFSOT-UHFFFAOYSA-N 260.343 3.610 0 40 CHAB O=C(NCCC1CCCCCC1)c1ccc(F)cc1 10542446 CVXZCKJDPIOVSM-UHFFFAOYSA-N 263.356 3.916 0 40 CHAB CC(=O)[C@H](C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 100118246 DWKQHHQWLLPUBI-KIPDHUPVSA-N 288.309 3.539 0 40 CHAB CC(C)=C1OC(=O)C(C)(C)[C@@H]2Sc3ccccc3N12 38337695 UDPYDOHQUCQYDC-ZDUSSCGKSA-N 275.373 3.759 0 40 CHAB C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(Cl)s1 40074601 GFHZMNAHFBXZJL-UWVGGRQHSA-N 287.812 3.538 0 40 CHAB CC(=O)NC1CCN([C@H](C)c2cccc3ccccc23)CC1 50989645 FDRRCBNDSBSBRB-CQSZACIVSA-N 296.414 3.501 0 40 CHAB CCOC(=O)c1cc(-c2cccc(N)c2)nc2ccccc12 215209 VUUQPADSXFKUCS-UHFFFAOYSA-N 292.338 3.661 0 40 CHAB O=C(CCC1OCCCO1)c1cc(Cl)cc(Cl)c1 2581267 NXHKAFZXTZJIKG-UHFFFAOYSA-N 289.158 3.719 0 40 CHAB O[C@](C[C@@H]1CCCCN1)(c1ccccc1)C1CCCCC1 1843168 QUAWNUHPVGFJPP-RBUKOAKNSA-N 287.447 3.987 0 40 CHAB COc1cccc(OC)c1C(=O)c1ccc(Cl)s1 36943147 HBONLXJPGIRCJT-UHFFFAOYSA-N 282.748 3.650 0 40 CHAB CC/C=C(\C)C(=O)N(C)Cc1ccc(OC(F)F)cc1 46042725 VRTTUKXNGXMCNO-VZUCSPMQSA-N 283.318 3.603 0 40 CHAB CCCCCCNC(=O)Nc1ccccc1COC 46033252 FEQAEFOJVCYDBT-UHFFFAOYSA-N 264.369 3.535 0 40 CHAB Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2)c1 6402029 ZUJPJPHFASITKI-UHFFFAOYSA-N 295.382 3.583 0 40 CHAB CCN(C(=O)OC)[C@H](c1ccccc1)[C@@H]1CCCCC1=O 478182 BVPOVRXTVIIQRZ-GDBMZVCRSA-N 289.375 3.575 0 40 CHAB CCN(CC)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101107485 KHAVOAZXCFZPQI-LZWOXQAQSA-N 253.430 3.560 0 40 CHAB CN(Cc1ccccc1F)C(=O)c1cccc2cccnc12 23484251 AIQLYSTYJLEETG-UHFFFAOYSA-N 294.329 3.646 0 40 CHAB CCn1cc(Br)nc1-c1ccccc1C 22126078 ZXTYKYQQLKNUIW-UHFFFAOYSA-N 265.154 3.641 0 40 CHAB CCCc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 43209870 GOAUSGFBSHCSPD-UHFFFAOYSA-N 282.339 3.795 0 40 CHAB C=C1c2ccccc2NC(=O)N1Cc1ccccc1F 24974881 XIEQRYZKITZBFN-UHFFFAOYSA-N 268.291 3.844 0 40 CHAB COc1cccc2cc([C@@H](C)NC(=O)C[C@@H]3C=CCC3)oc12 25190468 VYMOUJPIFNOMRL-CHWSQXEVSA-N 299.370 3.975 0 40 CHAB CC1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 25707216 XNQXSMSPOSEOAL-UHFFFAOYSA-N 277.364 3.913 0 40 CHAB O=C(Nc1nccs1)c1cc(F)c(Cl)cc1Cl 12598893 XFMJWTZTSUTUAO-UHFFFAOYSA-N 291.134 3.841 0 40 CHAB O=C(NCCC1=CCCCC1)c1cccc2ncccc12 12546053 OHERGNHFOOWOBP-UHFFFAOYSA-N 280.371 3.855 0 40 CHAB Cc1csc(N(C(=O)CC2CCCC2)C2CC2)n1 78869280 XWRVHUCTFJQMAG-UHFFFAOYSA-N 264.394 3.527 0 40 CHAB O=C(CCCc1ccccc1)N1CC[C@@H]1c1ccccc1 58004782 JRYCMHKWJREIDC-GOSISDBHSA-N 279.383 3.983 0 40 CHAB CC(=O)c1cccc(NC(=O)CCc2ccsc2)c1 8344587 LHVNQMNBVWGDJO-UHFFFAOYSA-N 273.357 3.522 0 40 CHAB O=C(c1ccccc1Cl)C(F)(F)Br 307326823 ICOHHTKUJAFGJP-UHFFFAOYSA-N 269.472 3.510 0 40 CHAB Cc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cn1 12971589 PLNWXIJAIVSYAD-ZDUSSCGKSA-N 294.354 3.969 0 40 CHAB CSc1ccc(CNCc2ccc(F)cc2)cc1 8496868 BURUYGRWDWMVGZ-UHFFFAOYSA-N 261.365 3.837 0 40 CHAB COc1ccc([C@H](C)N2CCC(OC)CC2)cc1Cl 69845072 ABZUYSODWWTMRB-NSHDSACASA-N 283.799 3.520 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)c(C)c1 14076852 DIMIEPYZHURSKU-UHFFFAOYSA-N 279.261 3.973 0 40 CHAB Cc1ccccc1OCc1nnc(-c2ccccc2)o1 4539492 WAHBAMDEJRCYBD-UHFFFAOYSA-N 266.300 3.624 0 40 CHAB c1ccc2c(OCC[C@@H]3CCCCN3)cccc2c1 14632341 GBJFYVRQODIXHX-HNNXBMFYSA-N 255.361 3.751 0 40 CHAB Cc1ccc2onc(CC(=O)N[C@@H](C)c3ccccc3)c2c1 6839477 QRLBXZNUHMBIOF-ZDUSSCGKSA-N 294.354 3.556 0 40 CHAB CCC(CC)C(=O)Nc1nonc1-c1ccc(C)c(C)c1 15670758 VSYJWNDGTRUPOE-UHFFFAOYSA-N 287.363 3.728 0 40 CHAB C1=C(c2ccccc2)CCN(c2ncnc3sccc23)C1 7983410 PHXDPSNCQKYADK-UHFFFAOYSA-N 293.395 3.985 0 40 CHAB CCCSc1nnc(-c2ccccc2OCC)o1 8231657 DHNZJXVGLGQZEB-UHFFFAOYSA-N 264.350 3.637 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 8237564 JUDSJTINCBZVEA-LBPRGKRZSA-N 295.338 3.932 0 40 CHAB C[C@@H](Nc1ncnc2c1oc1ccccc12)c1ccccn1 9743905 HISBDVMUSPUWSM-LLVKDONJSA-N 290.326 3.944 0 40 CHAB COC[C@@H](Nc1cccc(-c2nc(C)c(C)o2)c1)C1CC1 97038187 DWTZXQZRMHBXNV-MRXNPFEDSA-N 286.375 3.795 0 40 CHAB CC(C)N(C(=O)COC1CCCCC1)c1ccccc1 79836634 FTZIYNUASDBYAM-UHFFFAOYSA-N 275.392 3.777 0 40 CHAB CCCOCc1c(Br)cnn1C1CCCC1 408717326 YLLYFYQGONGRJR-UHFFFAOYSA-N 287.201 3.687 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)C[C@H]1C=CCC1 32781357 CTKQAIMKTOPZCP-JSGCOSHPSA-N 275.417 3.940 0 40 CHAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](C(C)C)S1 71288450 HDTFBJOHCJVFAY-JTQLQIEISA-N 253.371 3.663 0 40 CHAB Cc1cc([C@@H]2CCCN2CC(C)C)cnc1N1CCCC1 72218803 UQXLOXOAIHYHLY-KRWDZBQOSA-N 287.451 3.783 0 40 CHAB N[C@H](c1ccc(Br)c(Cl)c1)C(F)(F)F 72195871 CHIMNVFWGSKQBL-SSDOTTSWSA-N 288.494 3.665 0 40 CHAB NC(=O)CCc1ccc(-c2cc(Cl)ccc2Cl)o1 216924594 FPUXZBAXGBWJTQ-UHFFFAOYSA-N 284.142 3.671 0 40 CHAB Cc1ccc(-c2c(C)nn3c(Cl)cc(C)nc23)cc1 49453129 VOEFMOIZKRBVGF-UHFFFAOYSA-N 271.751 3.975 0 40 CHAB COC(=O)[C@H](C)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223193743 FKQNIGZYANUMSA-STQMWFEESA-N 275.392 3.649 0 40 CHAB Cn1c([C@H]2CCN(Cc3ccccc3)C2)nc2ccccc21 49171149 CRTIKDCLFIPRSY-INIZCTEOSA-N 291.398 3.563 0 40 CHAB biogenic,in-vitro Cc1c(CNC(C)C)c2cc(OC(C)C)ccc2n1C 223769582 NXUSPMPVFYJDFM-UHFFFAOYSA-N 274.408 3.772 0 40 CHAB CC1(c2ccc(C(=O)C3CCCCC3)cc2)OCCO1 85652024 IZISRTUDCZRGKU-UHFFFAOYSA-N 274.360 3.669 0 40 CHAB CC(C)CO[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225087245 YPJWCRNYFIAGJB-GFCCVEGCSA-N 291.174 3.662 0 40 CHAB Cc1ccnc(C(=O)c2ccccc2C(F)(F)F)c1 45028594 AOFQDCCEBTVAMO-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB COc1ccccc1CCCNC(=O)c1ccc(C)cc1C 225117000 UUICWXXVDJBRMZ-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB Cc1noc(C)c1NC(=O)c1ccccc1C(F)(F)F 84025576 YGHGAUXANMZVRQ-UHFFFAOYSA-N 284.237 3.563 0 40 CHAB Cc1cc2c(cc1O)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2 87492973 ULORBDMEFAYHRJ-JFIYKMOQSA-N 274.404 3.702 0 40 CHAB biogenic Fc1cccc(OC(F)(F)Cl)c1Br 95215502 UONULYLAYVGFJE-UHFFFAOYSA-N 275.451 3.756 0 40 CHAB CCSc1ccccc1OC(=O)c1csc(C)n1 96407388 QJQWXXXOMJFUCR-UHFFFAOYSA-N 279.386 3.783 0 40 CHAB COC(=O)/C(=C/c1c[nH]c2ccccc12)c1ccccc1 96341560 SEDLIZZTFZHBNH-LFIBNONCSA-N 277.323 3.882 0 40 CHAB Sc1nc2cc(Cl)cc(Cl)c2nc1S 147461577 ZFRQMGHNIGZXDC-UHFFFAOYSA-N 263.174 3.514 0 40 CHAB O=C(c1ccc(Cl)c(Cl)c1)c1nccs1 95728251 ZDVZLSCQWKTALM-UHFFFAOYSA-N 258.129 3.681 0 40 CHAB COc1c(C(=O)NC2CCCCC2)oc2ccccc12 252479992 BRIMBIKWWOUIPQ-UHFFFAOYSA-N 273.332 3.504 0 40 CHAB COc1ccc(C(=O)c2ccc(F)cc2C)cc1F 89064287 RBWFYIYHOAWTIJ-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB O=C(c1ccc(OC(F)(F)F)cc1)C1CCCC1 164039416 LGGIIMLEKQVFJG-UHFFFAOYSA-N 258.239 3.958 0 40 CHAB Clc1cc2c(cc1CSc1ccccn1)OCO2 5674109 LIBWLYMRRCBPDE-UHFFFAOYSA-N 279.748 3.756 0 40 CHAB Cc1ccc(CCCNC(=O)c2cccc(C)c2)cc1 13673462 LHFALVDRWMKSAN-UHFFFAOYSA-N 267.372 3.666 0 40 CHAB Cc1ccc(SCCNC(=O)c2cccc(F)c2)cc1 17341124 OIESIJMGNCOUCA-UHFFFAOYSA-N 289.375 3.656 0 40 CHAB COc1cc(N)c(Cl)cc1C(=O)OCC1CCCCC1 22067054 XXSNYVFPLNRNLW-UHFFFAOYSA-N 297.782 3.668 0 40 CHAB COc1ccccc1[C@H]1Nc2ccccc2-c2cc(C)nn21 817657 KUCSTLVXRPAHNG-SFHVURJKSA-N 291.354 3.840 0 40 CHAB CCSc1nnc(-c2c[nH]c3ccccc23)n1CC 4138491 KBHDQFCTYLYBDF-UHFFFAOYSA-N 272.377 3.558 0 40 CHAB C[C@@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1 40098206 VUTICSITXNSDEX-CYBMUJFWSA-N 272.392 3.829 0 40 CHAB COc1ccc(OCC(=O)c2ccc(Cl)cc2)cc1 20095274 COELUAJXEMZWBS-UHFFFAOYSA-N 276.719 3.610 0 40 CHAB O=C(Cn1ccc2c(Cl)cccc21)Nc1ccccc1 32094882 DXGXKBQVCVOHPF-UHFFFAOYSA-N 284.746 3.933 0 40 CHAB CN1CC[C@H](C(c2ccccc2)c2ccccc2)C1 1569005 RAMVHYAPKXXGBL-KRWDZBQOSA-N 251.373 3.770 0 40 CHAB COc1ccc2nc([C@@H]3CCCC[C@H]3C(=O)O)cc(C)c2c1 1595924 KIIOLKMSTZNPFU-ZIAGYGMSSA-N 299.370 3.910 0 40 CHAB O=C(CSc1ccccc1F)Nc1ccccc1F 3473761 MIRDGYQVBUTGGB-UHFFFAOYSA-N 279.311 3.696 0 40 CHAB Cc1cc(NC(=O)CC(C)C)ccc1Br 383682 IBOREYJORCVMIC-UHFFFAOYSA-N 270.170 3.742 0 40 CHAB CCc1ccc(NC(=S)NCc2ccccc2F)cc1 6941337 AKSNSGDAACWREI-UHFFFAOYSA-N 288.391 3.875 0 40 CHAB CCc1nnsc1C(=O)Nc1cccc2ccccc12 32740551 IHTUDWVOAVMEIU-UHFFFAOYSA-N 283.356 3.506 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8040972 FYAUAHPOFXJZSQ-RISCZKNCSA-N 283.799 3.802 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100329259 CKSFZMXQPUJPIO-XZDPQHSOSA-N 289.444 3.613 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1 975634 SGORFVPRVJPOLV-CYBMUJFWSA-N 251.757 3.745 0 40 CHAB C[C@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCC2 53388203 XMWWBSGLBWMATH-LBPRGKRZSA-N 285.412 3.657 0 40 CHAB Clc1ccc2sc(Sc3cnccn3)nc2c1 25047464 FIBDHTRRXRNKBW-UHFFFAOYSA-N 279.777 3.891 0 40 CHAB COc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1 1512480 PUNVZHNDXGTLNY-UHFFFAOYSA-N 262.312 3.587 0 40 CHAB Cc1ccc([C@H](C)NCc2ccc(-n3cccn3)cc2)o1 35018974 JKZZIOOSGVUOSO-AWEZNQCLSA-N 281.359 3.625 0 40 CHAB CC1=CC2=N[C@](c3ccccc3)(C(C)(C)C)NC(=O)N2C=C1 28294332 XCDOQDSBYZIZCQ-SFHVURJKSA-N 295.386 3.783 0 40 CHAB Cc1cccc(Nc2nc(Cl)ncc2F)c1C 2028713 PRGHGGAVSANLLK-UHFFFAOYSA-N 251.692 3.630 0 40 CHAB O=C(CCCc1ccccc1)N1CC[C@H]1c1ccccc1 58004785 JRYCMHKWJREIDC-SFHVURJKSA-N 279.383 3.983 0 40 CHAB Cc1ccccc1CS(=O)Cc1ccccc1C 58168089 CRGBXJWNXOMRSB-UHFFFAOYSA-N 258.386 3.752 0 40 CHAB C[C@H]1CCCN(C(=O)Nc2ccccc2OC(F)F)C1 58217901 OUYLVBQPRHCANX-JTQLQIEISA-N 284.306 3.552 0 40 CHAB CCCCC[C@@H]1C[C@H](COc2ccccc2)OC1=O 2116245 HPDUUKCYHLISGS-UKRRQHHQSA-N 262.349 3.577 0 40 CHAB biogenic ClC(Cl)(Cl)[C@H]1NCCc2c1[nH]c1ccccc21 23583907 DPPAKKMPHBZNQA-NSHDSACASA-N 289.593 3.725 0 40 CHAB in-vitro O=C(/C=C/c1ccccc1)NCc1ccccc1Cl 3562301 HWGBHHWVTSILOS-ZHACJKMWSA-N 271.747 3.670 0 40 CHAB CN(Cc1ccsc1)C(=O)Nc1ccc(F)cc1 12943518 BGCHHJFRGRAZRA-UHFFFAOYSA-N 264.325 3.551 0 40 CHAB CCOc1ccc2ccccc2c1C(=O)Nc1nccs1 8382768 SSINRAJXRVTZIN-UHFFFAOYSA-N 298.367 3.947 0 40 CHAB CCCc1cc(=O)[nH]c(Nc2ccc(C(C)C)cc2)n1 5012125 XGCDNPTXIRLPJI-UHFFFAOYSA-N 271.364 3.589 0 40 CHAB CCC[C@H](C)NC(=O)COc1cccc2ccccc12 4666495 DSHNCMPKJSYQON-ZDUSSCGKSA-N 271.360 3.523 0 40 CHAB O=C(Nc1cccc2cccnc12)c1cc(F)cc(F)c1 14516722 RHSHQDYDQIZLTA-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB Cc1ccc2c(c1)c(/C=C/c1cc[n+](C)cc1)c(C)n2C 6719222 CPUFILKHDXQMHG-UHFFFAOYSA-N 277.391 3.790 0 40 CHAB CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 4842372 QRXLTSBBBBLZAZ-UHFFFAOYSA-N 256.132 3.973 0 40 CHAB CCc1ccc2occ(CC(=O)Nc3ccc(C)cn3)c2c1 27587558 AISJGTSGYWFKKA-UHFFFAOYSA-N 294.354 3.880 0 40 CHAB C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccncc2)C1 75503165 XWSJZDZOLQIGBW-LRDDRELGSA-N 299.349 3.836 0 40 CHAB c1ccc2c(c1)OCC[C@@H]2Nc1ncnc2sccc12 9313532 QRVGFDIXNGROAB-LBPRGKRZSA-N 283.356 3.627 0 40 CHAB C[C@@H]1CCc2c(c(-c3ccccc3)[nH]c(=S)c2C(N)=O)C1 170622684 OQLLBWVWKSATPO-SNVBAGLBSA-N 298.411 3.635 0 40 CHAB COc1ccc(OC)c([C@@H](C)Nc2ccc3c(c2)COC3)c1 97038479 JVSNIXUNCICGBG-GFCCVEGCSA-N 299.370 3.907 0 40 CHAB CCCSc1nnc(Cc2ccccc2)n1CCC 409102440 SWFLIEVSRLDCHZ-UHFFFAOYSA-N 275.421 3.781 0 40 CHAB CC(C)CSCCNc1ccn(-c2ccccc2)n1 95454344 OFAQAIPIMLCNHX-UHFFFAOYSA-N 275.421 3.673 0 40 CHAB CC(C)[C@H](N[C@H](C)CC1CCC1)C(=O)OC(C)(C)C 95991640 NUYVESPXCFBHPI-OCCSQVGLSA-N 269.429 3.521 0 40 CHAB N[C@@H](c1ccccc1)c1ccc(OCc2ccccc2)nc1 72225398 CUDSFAFYIALOFR-IBGZPJMESA-N 290.366 3.709 0 40 CHAB COc1ccc(CN(C)C(=O)Cc2cc(C)ccc2C)cc1 30870952 AGDFNVDULQAUNE-UHFFFAOYSA-N 297.398 3.513 0 40 CHAB C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccccc1F 78556018 GREDOJNTQLJTQA-WYRIXSBYSA-N 280.339 3.975 0 40 CHAB Clc1ccc(-c2nc3nccc(-c4ccco4)n3n2)cc1 72451480 LLEDHNARMYLVNB-UHFFFAOYSA-N 296.717 3.705 0 40 CHAB Cc1ccnc([C@H]2CCCN2Cc2ccccc2)c1 72211176 SUJYLZIDRCMMTN-QGZVFWFLSA-N 252.361 3.727 0 40 CHAB CC[C@H](C)N[C@@H](C)c1ccc(Br)s1 38001600 YSUVURQIWGMWJH-YUMQZZPRSA-N 262.216 3.960 0 40 CHAB COc1cccc(-c2nc3c(C)cc(C)cc3[nH]2)c1 70462780 SPQTUIZZPLBIPO-UHFFFAOYSA-N 252.317 3.855 0 40 CHAB Cc1ccc2nc(C)c(C(=O)Nc3c(C)cccc3C)n2c1 71459216 RECOKLSXXDRJGH-UHFFFAOYSA-N 293.370 3.820 0 40 CHAB CCc1ccc(CNC(=O)Nc2cccc(C)c2)s1 45949562 XKYVCHKLKZYPTA-UHFFFAOYSA-N 274.389 3.941 0 40 CHAB Cc1cc(SCc2ccccc2Cl)ncn1 49026048 ZQKZVRPRAMLGST-UHFFFAOYSA-N 250.754 3.731 0 40 CHAB Cc1cccc(CC(=O)N(CCc2cccs2)C2CC2)c1 75154784 SANCBLOKZSXLNX-UHFFFAOYSA-N 299.439 3.833 0 40 CHAB Cc1cc(C)c(C(=O)NCCc2ccccc2)cc1C 96726564 BRJZBTPDELSRGM-UHFFFAOYSA-N 267.372 3.584 0 40 CHAB Cc1cc(C)c(C(=O)C(F)(F)Br)c(C)c1 382724951 PPHQYWIGKJIQBR-UHFFFAOYSA-N 277.108 3.782 0 40 CHAB C[C@H](Nc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C 57634870 KOJSKRHKUZSVNW-OLZOCXBDSA-N 298.361 3.604 0 40 CHAB O=C(O)c1cccc(OC(=O)c2cccc3ccccc23)c1 5777498 IUQRTODCASWFPA-UHFFFAOYSA-N 292.290 3.757 0 40 CHAB CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2)c(C)c1 13672791 FSURCRPBSVYVPM-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 381798 AQZSJJAVFVNFAH-CYBMUJFWSA-N 276.339 3.726 0 40 CHAB COc1cccc(CNCc2c(C)cc(C)cc2C)c1 37486647 QGVYHWNUJFAXGQ-UHFFFAOYSA-N 269.388 3.910 0 40 CHAB O=C(NCc1ccco1)c1ccc(Cl)c(Cl)c1 183672 LJQHFPZMQPQTEZ-UHFFFAOYSA-N 270.115 3.516 0 40 CHAB Cc1cc(C)c2cc(C(=O)NOCc3ccccc3)[nH]c2c1 31616294 PYIYTQSTGCESRJ-UHFFFAOYSA-N 294.354 3.646 0 40 CHAB CCN[C@@H](C)CCCCOc1cccc2c1OC(C)(C)C2 45615070 NAVIFKDSHOZYDV-AWEZNQCLSA-N 291.435 3.947 0 40 CHAB in-vitro CC(C)CC(=O)Nc1cccc(-c2cn3ccccc3n2)c1 377185 CCMKHJVJZUNKRF-UHFFFAOYSA-N 293.370 3.986 0 40 CHAB Cc1ccc(/C=C/C(=O)N2CCCc3ccccc32)cc1 504549 ATRLMYWGIWMGTA-OUKQBFOZSA-N 277.367 3.988 0 40 CHAB Cc1noc([C@H](C)Nc2ccc(C)c(OCC(F)F)c2)n1 69374509 XWYYRBMLLUHYOB-VIFPVBQESA-N 297.305 3.503 0 40 CHAB O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCCCC1 1665779 ZGYPFPPCAPRYKE-MOPGFXCFSA-N 281.399 3.947 0 40 CHAB CCc1nc(NC(C)(C)C)c2cnn(-c3ccccc3)c2n1 1718482 SQVRTCIIPOPEAG-UHFFFAOYSA-N 295.390 3.588 0 40 CHAB Cc1ccc(NC(=O)COc2c(C)cccc2C)cc1C 344665 YWFSLMKMIBCXOZ-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB Cc1noc(C)c1NC(=O)N(C)[C@H](C)c1ccccc1 60382073 ZJFDZDDESAUPRA-LLVKDONJSA-N 273.336 3.516 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1F 60353488 HNRBCCRHYPDBJD-UHFFFAOYSA-N 295.716 3.857 0 40 CHAB C[C@H]1CCCCN1C(=S)Nc1ccc(Cl)cc1 6416593 ZAHJSAQGAWPOMW-JTQLQIEISA-N 268.813 3.911 0 40 CHAB COC(=O)c1ccc(Cn2c(C)cc3ccccc32)cc1 6626835 LCPKZHVMKPVIGK-UHFFFAOYSA-N 279.339 3.785 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2O)C1(C)C 32895963 SZLXBXCNHZAWNQ-SMDDNHRTSA-N 259.349 3.569 0 40 CHAB CC(C)N1CCC(O)(c2ccc(C(C)(C)C)cc2)CC1 53330529 JYCZVDTYHYDKKN-UHFFFAOYSA-N 275.436 3.676 0 40 CHAB CCc1ccc(-c2nc3ccc(CC)cc3c(=O)[nH]2)cc1 60797584 SCQLZFMMYORAKR-UHFFFAOYSA-N 278.355 3.715 0 40 CHAB COc1ccccc1-c1noc([C@@H]2C[C@H]2c2ccco2)n1 83982734 DKDOCGMDSKVVOE-VXGBXAGGSA-N 282.299 3.609 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@@H](C)COc2ccccc2)c1 55731189 JLYPLQTVXGEYFR-HNNXBMFYSA-N 283.371 3.501 0 40 CHAB O=C(Nc1cccc2ncccc12)[C@@H]1C[C@@H]1c1ccccc1 27926206 JSGNNWOACJXTDF-HZPDHXFCSA-N 288.350 3.977 0 40 CHAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)s1 104810831 RELNPVHRGMKICG-PYJNHQTQSA-N 277.433 3.919 0 40 CHAB Cc1ccc(C(C)C)c(OCC[C@H]2CCCNC2)c1 42772865 UETPBILWMDKGBS-OAHLLOKOSA-N 261.409 3.887 0 40 CHAB CCCc1ccc(OCC[C@@H]2CCCCN2)c(OC)c1 42773765 PUIGAPSCHUEHLX-HNNXBMFYSA-N 277.408 3.559 0 40 CHAB COc1cccc(C(=O)Oc2cc(-c3ccccc3)no2)c1 1386462 JHMUUQPIQINFEL-UHFFFAOYSA-N 295.294 3.569 0 40 CHAB Fc1ccccc1NC(=S)NC[C@@H]1C[C@@H]2CC[C@@H]1C2 100991255 HOYMWKCTNPPLKR-UTUOFQBUSA-N 278.396 3.548 0 40 CHAB O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CCCCC1 12527828 NQLQBCDOSXCIAZ-SFHVURJKSA-N 294.398 3.868 0 40 CHAB Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)nc1 12511937 CMYGGMOQKXSWSH-UHFFFAOYSA-N 296.248 3.541 0 40 CHAB O=C(Nc1cccc(F)c1)Nc1cc(-c2ccccc2)n[nH]1 28304973 SKPQRMWUFZJZCM-UHFFFAOYSA-N 296.305 3.860 0 40 CHAB Cc1ccccc1C(=O)NCC1(c2cccs2)CC1 22679903 SIBRIVNARLWNKQ-UHFFFAOYSA-N 271.385 3.518 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1sccc1C 58161100 DFQJEWBMSDYGBL-ZDUSSCGKSA-N 290.413 3.816 0 40 CHAB Cc1nn(C)c(Cl)c1CNc1cccc(Cl)c1 58208833 XOUQMVLATGVWHG-UHFFFAOYSA-N 270.163 3.647 0 40 CHAB CSCc1nnc(SCc2cccc(Cl)c2)o1 48396400 AKTRDZCLQMNVDW-UHFFFAOYSA-N 286.809 3.878 0 40 CHAB O=C(Cc1cccs1)N[C@H]1CCSc2ccccc21 12877551 AQTKRIAVWITKGI-ZDUSSCGKSA-N 289.425 3.644 0 40 CHAB C[C@H](Oc1cccc(C(F)(F)F)c1)c1ccn[nH]1 4024864 MRUBNWVKDLEZHK-QMMMGPOBSA-N 256.227 3.569 0 40 CHAB Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(Cl)cc1 64347774 NGMAXEMTWYTYEV-UHFFFAOYSA-N 275.739 3.501 0 40 CHAB Cc1ccc(C)n1NC(=O)Cc1cccc2ccccc12 9226096 RHPZBUKYQGPPJD-UHFFFAOYSA-N 278.355 3.571 0 40 CHAB Cc1ccc2c(-c3ccc(CN(C)C)cn3)cccc2n1 65409670 LEHJWNHZVUJGBJ-UHFFFAOYSA-N 277.371 3.667 0 40 CHAB Cc1ccc(CN(Cc2ccco2)C(=O)C2CCC2)s1 66029271 DUHGVMKANJETPW-UHFFFAOYSA-N 289.400 3.978 0 40 CHAB c1cn(-c2ccc(Oc3ncnc4sccc34)cc2)cn1 6909170 BDIQHQUMMLBIKY-UHFFFAOYSA-N 294.339 3.669 0 40 CHAB O=C(Nc1nonc1-c1ccccc1)c1ccc(Cl)cc1 8868613 BZQIPZNOXYGTSZ-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1F 7242337 UGCJNRJQTZIRAD-GFCCVEGCSA-N 298.361 3.754 0 40 CHAB NC(=O)c1ccc(CSCc2ccc(Cl)cc2)cc1 9254606 XDTWZMLSSYJFMY-UHFFFAOYSA-N 291.803 3.872 0 40 CHAB C[C@@H](NCc1ccc(Oc2ccccc2)o1)c1cnn(C)c1 96002097 DEVFLHUDEQNHQP-CYBMUJFWSA-N 297.358 3.656 0 40 CHAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccc(C)cc32)cc1 19702291 VFUYROFTDOIHPO-SFHVURJKSA-N 292.382 3.720 0 40 CHAB biogenic C[C@@H](c1cccc(Cl)c1)[S@@](=O)CC1CCOCC1 95439195 DLZSBZWJRXQXOD-BBATYDOGSA-N 286.824 3.576 0 40 CHAB CCCCOc1ccccc1C(=O)Nc1cccc(O)c1 408586683 OUOZRZFEBKVMHM-UHFFFAOYSA-N 285.343 3.823 0 40 CHAB Fc1cccc([C@H]2NCc3ccccc3-n3cccc32)c1F 55211079 XEZKNBOSTNZURO-GOSISDBHSA-N 296.320 3.948 0 40 CHAB Cc1cc([C@H]2CCCCN2C)cnc1N1CCCCC1 72219175 NCUPKNJPVVDCFO-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB CCOC(=O)CCOc1ccc(C(F)(F)F)cc1Cl 75914351 OEGVPGPCKZEQCE-UHFFFAOYSA-N 296.672 3.691 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](CC)Oc1cccc2ccccc12 216247083 BOJXHHIQIVQAGZ-CZUORRHYSA-N 285.387 3.912 0 40 CHAB COCc1cccc(NC(=O)Nc2ccccc2N(C)C)c1 79101338 ZHPYEBNRQAFTFF-UHFFFAOYSA-N 299.374 3.543 0 40 CHAB CCNc1ccc(N2CCCCC2)c(Br)c1 226285065 HSTFDJQZVRKAAN-UHFFFAOYSA-N 283.213 3.871 0 40 CHAB CCCNCc1cc(Cl)ccc1Br 83457554 HISNWZZIRAOBEB-UHFFFAOYSA-N 262.578 3.602 0 40 CHAB O=C(c1cccc(F)c1)c1cncc2ccccc12 45028879 IWTVRXUGAYJMMX-UHFFFAOYSA-N 251.260 3.605 0 40 CHAB Cc1ccc(C(=O)NCCSC2CCCC2)cc1C 46450383 ZCUYDXPASFKCDR-UHFFFAOYSA-N 277.433 3.709 0 40 CHAB O=C(Cc1ccccc1)NCc1cccc2ccccc12 193041153 XEJCFPRSQXMAQI-UHFFFAOYSA-N 275.351 3.699 0 40 CHAB COC(=O)c1ccc(NCc2cnc(C)s2)cc1Cl 96427551 QTLFFTXDYXEMQF-UHFFFAOYSA-N 296.779 3.504 0 40 CHAB CC(C)n1cc([C@@H](C)NC[C@H](C)c2cccs2)cn1 95422762 VHAKQNZQLUUHTP-QWHCGFSZSA-N 277.437 3.980 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccccc3nc2N)cc1C 252500154 SNYJNRBQSWKKTP-UHFFFAOYSA-N 291.354 3.686 0 40 CHAB O=C(CCc1ccccc1C(F)(F)F)C(F)(F)F 95634664 GSQXGMWBPMHGMT-UHFFFAOYSA-N 270.172 3.769 0 40 CHAB Cc1ccoc1C(=O)N1CCC[C@@H]1c1ccccc1 42010527 RIWFYSABBRQJEH-CQSZACIVSA-N 255.317 3.565 0 40 CHAB O=C(Nc1cccc(OCc2cccnc2)c1)C1CCCC1 46536738 GQJRCNXZZCUIIC-UHFFFAOYSA-N 296.370 3.789 0 40 CHAB Cc1ccc(C(=O)NCc2ccccc2OC(F)F)s1 12825689 JMHJWLRYMRWMGQ-UHFFFAOYSA-N 297.326 3.588 0 40 CHAB Cc1ccnc(NC(=S)NCc2ccc(Cl)cc2)c1 13837469 ORFUCGJQYQBGAO-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1 15472101 QATRYSVTCYBWCB-RDRICISKSA-N 295.382 3.894 0 40 CHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 16301207 LUUCDKMESKJKPR-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB O=C(c1cccc(C(F)(F)F)c1)N1[C@H]2C=CC[C@H]1CC2 208015936 JZAXYXLJFNIRAT-STQMWFEESA-N 281.277 3.639 0 40 CHAB Cc1c[nH]nc1[C@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 607854172 SGDONXRNJCMLQB-INIZCTEOSA-N 294.402 3.579 0 40 CHAB COC(=O)c1ccc(CSc2ccc(F)cc2)cc1 20297235 WGTVZJRXXZBWFZ-UHFFFAOYSA-N 276.332 3.905 0 40 CHAB C[C@@H](NC(=O)NC1CCCC1)c1cccc(Cl)c1 26518897 OQQCNLSQCWGGHF-SNVBAGLBSA-N 266.772 3.643 0 40 CHAB CCC(CC)C(=O)c1ccc(OCCN2CCCC2)cc1 575359218 VLVOFSJEMQICQG-UHFFFAOYSA-N 289.419 3.780 0 40 CHAB N#C[C@H]1c2ccccc2C=CN1C(=O)C1=CCCCC1 85498 TWPVSKQOCKYSJE-INIZCTEOSA-N 264.328 3.565 0 40 CHAB Cc1oc(-c2ccc(Cl)cc2Cl)nc1C(=O)O 51075508 CJLLGUGBZRMWIT-UHFFFAOYSA-N 272.087 3.655 0 40 CHAB in-vitro C[C@H](NC(=O)COc1ccccc1Cl)c1ccccc1 94343 UHRNADMUYWBIMP-LBPRGKRZSA-N 289.762 3.596 0 40 CHAB Cc1ccc(NC(=O)Cn2ccc3ccccc32)cc1C 581679 SOQUBOGSZDDMBI-UHFFFAOYSA-N 278.355 3.897 0 40 CHAB CC(C)Oc1ccc(OCCn2cnc3ccccc32)cc1 250133 UOCQSICZBYPFEX-UHFFFAOYSA-N 296.370 3.903 0 40 CHAB O=C(Nc1ccccc1Br)C1CCCCC1 3533835 KWCUPXIXYGSDOO-UHFFFAOYSA-N 282.181 3.968 0 40 CHAB CCOC(=O)C=C1c2ccccc2-c2ccccc21 344458 SCHVJDVNASXDFU-UHFFFAOYSA-N 250.297 3.662 0 40 CHAB Cc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 323440 OAGCKQNFRATZJJ-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB Cc1cc(NC2CCCCC2)n2c(n1)nc1ccccc12 4898207 LLVIDYFOIYACAK-UHFFFAOYSA-N 280.375 3.936 0 40 CHAB Cc1ccc(CCC(=O)N2c3ccccc3C[C@H]2C)cc1 10449917 JWLDVHPPTQTCLH-OAHLLOKOSA-N 279.383 3.905 0 40 CHAB Cc1ccccc1NC(=O)CCC(=O)c1ccc(F)cc1 8207320 PVFHWQKWHYIBSI-UHFFFAOYSA-N 285.318 3.736 0 40 CHAB O=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCCC1 21693617 NAWLEWJKMINPDU-UHFFFAOYSA-N 289.394 3.944 0 40 CHAB CSc1ccc(C)c(C(=O)NC2CCCCC2)c1 32906293 PEGMUDVQJTYABO-UHFFFAOYSA-N 263.406 3.779 0 40 CHAB C[C@H]1CCCCN1c1ccc(NC(=O)C(F)(F)F)cc1 57316817 FJXSLKYWALMWDD-JTQLQIEISA-N 286.297 3.566 0 40 CHAB Cc1ccccc1CSc1nnc(-c2cccnc2)o1 9565057 SILQIROICWKLKV-UHFFFAOYSA-N 283.356 3.732 0 40 CHAB COc1ccc(-n2nc(Cl)nc2-c2cccc(C)c2)cc1 22125916 HHXDNAWMCXRRKK-UHFFFAOYSA-N 299.761 3.905 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(F)cc2)C1 26898227 YJTKQBHNTVUOFR-CQSZACIVSA-N 294.370 3.637 0 40 CHAB COC(=O)CCSCc1ccc(Cl)cc1Cl 17008043 HGOBIIBCXDXAEJ-UHFFFAOYSA-N 279.188 3.790 0 40 CHAB O=C(O)CCCCC(=O)c1cc(Cl)cc(Cl)c1 2378660 JFHBKVOETFDMJK-UHFFFAOYSA-N 275.131 3.821 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2-n2cccn2)C1 48151651 LFXLFKJSADVSEQ-ZIAGYGMSSA-N 298.390 3.573 0 40 CHAB Cc1cc(NC(=O)Nc2ccc3nc(C)sc3c2)no1 48388229 HBJWOTMZVROAQH-UHFFFAOYSA-N 288.332 3.545 0 40 CHAB CCCCC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 48781936 AIMCMDOOPAHGCQ-ZDUSSCGKSA-N 263.381 3.908 0 40 CHAB CC1CCC(NC(=O)CCc2c[nH]c3ccccc23)CC1 13011868 AKBLYJOEMDVNEK-UHFFFAOYSA-N 284.403 3.795 0 40 CHAB C[C@H](OC(=O)c1ccccc1)C(=O)c1ccc2c(c1)CCC2 6065576 HZDYUIHRBFTSJY-ZDUSSCGKSA-N 294.350 3.604 0 40 CHAB O=C(NCc1cccs1)C12CC3CC(CC(C3)C1)C2 4323246 WRKJLJSHAQOMAK-UHFFFAOYSA-N 275.417 3.581 0 40 CHAB O=C(NCc1ccccc1)C12CC3CC(CC(C3)C1)C2 4338216 AEGPPEKTVKFZNH-UHFFFAOYSA-N 269.388 3.519 0 40 CHAB O=C(CCc1ccccc1)N[C@H]1CCSc2ccccc21 5425480 ARAWMORDQXRHCV-INIZCTEOSA-N 297.423 3.973 0 40 CHAB CC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)ccc3o2)c1 4736804 FMBWRLBLHVWOQW-UHFFFAOYSA-N 296.326 3.776 0 40 CHAB Cc1c(N)cccc1-c1nc2cccc(Cl)c2[nH]1 20156641 QZSBKWMYQKVIJU-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB C[C@@H](Oc1ccccc1)c1nnc(S)n1-c1ccccc1 9095757 ISGSNPNONUXIMV-GFCCVEGCSA-N 297.383 3.696 0 40 CHAB Cc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 8025501 WUVVNSLQICVPAO-UHFFFAOYSA-N 280.371 3.848 0 40 CHAB Cc1ccc(C(=O)Oc2ccc3nc(C)c(C)nc3c2)cc1 408973904 CKKVBINXMLTXHX-UHFFFAOYSA-N 292.338 3.774 0 40 CHAB CN(CCc1cccs1)c1ccc(F)c(F)c1 60333632 MMFCOKOBRNIRKB-UHFFFAOYSA-N 253.317 3.705 0 40 CHAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1[nH]nc(C2CC2)c1C 76989878 VGTQUBDMRFALBI-GJZGRUSLSA-N 295.386 3.646 0 40 CHAB CO[C@@H](C)c1cccc(NCc2nc3ccccc3n2C)c1 95428995 AJFZHCAQNTYBLP-ZDUSSCGKSA-N 295.386 3.893 0 40 CHAB CCCC1=C(C(=O)OCC)Nc2ccccc2S1 26468998 KKAPDCSBYVKPFO-UHFFFAOYSA-N 263.362 3.779 0 40 CHAB COc1ccccc1-c1nc2cnccn2c1NC(C)(C)C 72341883 QSDGFXMCNUBTKB-UHFFFAOYSA-N 296.374 3.615 0 40 CHAB CCCCOCN(COCCCC)CC(C)(C)C 31761374 VWIZTFUXUCSNFR-UHFFFAOYSA-N 259.434 3.883 0 40 CHAB Clc1ccc(OCCCn2ccnc2)c(Cl)c1 41392937 JQAHYKOOKJVYMZ-UHFFFAOYSA-N 271.147 3.659 0 40 CHAB COCc1cccc(NC(=O)Nc2cccc(F)c2F)c1 79101529 PVUDMQNCMXTWDB-UHFFFAOYSA-N 292.285 3.755 0 40 CHAB CCOc1ccc(C(=O)c2cnc3ccccc3c2)cc1 45028955 ZNERPIGJSRDCSA-UHFFFAOYSA-N 277.323 3.865 0 40 CHAB Cc1ccc([C@H](O)c2ccc(Br)cc2)cc1F 40243299 PUOBXYCCXDNLLK-CQSZACIVSA-N 295.151 3.978 0 40 CHAB CC(C)(C)c1ccc(COCC[C@H]2CCCNC2)cc1 42772019 QWQPFXJJGFEFKC-OAHLLOKOSA-N 275.436 3.890 0 40 CHAB Cc1ccc(CC(=O)NCC2CCCCC2)c(C)c1 225203799 GBANCGCRODDCMS-UHFFFAOYSA-N 259.393 3.542 0 40 CHAB C[Si](C)(C)NC(=O)N(c1ccccc1)[Si](C)(C)C 195763161 DSSADGQCTDYPMP-UHFFFAOYSA-N 280.520 3.872 0 40 CHAB Cc1ccc(CCC(=O)NCCc2ccccc2)cc1C 96621678 WEIMUXGYGMFITD-UHFFFAOYSA-N 281.399 3.595 0 40 CHAB Cc1ccc(CN2CCCCC2)cc1Br 90413597 LDVUNTIZUGXNSH-UHFFFAOYSA-N 268.198 3.743 0 40 CHAB CC(C)N(C)C(=O)NCc1ccnc(SC(C)(C)C)c1 96499852 YPDKCIWHBREWQR-UHFFFAOYSA-N 295.452 3.522 0 40 CHAB Cc1ccc(C2=NN(C(N)=O)[C@H](c3ccc(C)cc3)C2)cc1 95864378 WDWIWOVWRUYGQH-KRWDZBQOSA-N 293.370 3.533 0 40 CHAB Cc1c(C2CC2)[nH]c2cc(C(F)(F)F)ccc2c1=O 685938813 ZFPLOEOQWVCLIS-UHFFFAOYSA-N 267.250 3.733 0 40 CHAB CC(C)[C@@H]1C[C@H](CN(C)Cc2ccccc2)CCO1 95995473 PNOBLPFZYWHWHJ-SJORKVTESA-N 261.409 3.570 0 40 CHAB COc1ccc(NCc2ccc(OC)c(Cl)c2)cc1 57574574 CAUVJVMPEXBCPF-UHFFFAOYSA-N 277.751 3.969 0 40 CHAB S=C1NC2=C(CCCC2)[C@@H](c2ccccc2Cl)N1 5584227 GRQPHMXMNANXIS-CYBMUJFWSA-N 278.808 3.687 0 40 CHAB COc1ccc(NC(=S)NC2CCCC2)cc1Cl 13935152 PBDPQCSUHRFZIK-UHFFFAOYSA-N 284.812 3.578 0 40 CHAB O[C@H](CCN1CCCCC1)c1ccc2ccccc2c1 6584531 QIYOWKYRYLZLET-GOSISDBHSA-N 269.388 3.749 0 40 CHAB CC[C@@H]1CCC2=Nc3ccccc3[C@H](C(=O)O)[C@H]2C1 245226342 RUOLINNBZYUUEU-GMXABZIVSA-N 257.333 3.767 0 40 CHAB CC(C)c1nc(CC(=O)N(C)Cc2ccsc2)cs1 40093226 RKFUIFKLGPKNQS-UHFFFAOYSA-N 294.445 3.529 0 40 CHAB CC(C)c1ccc(Cn2c(CO)nc3ccccc32)cc1 210209 BPRLAQGNLWTFHG-UHFFFAOYSA-N 280.371 3.700 0 40 CHAB CCN1CCC(c2ccccc2)(c2ccccc2)C1=N 1717945 YGHFNGFMAADBPA-UHFFFAOYSA-N 264.372 3.676 0 40 CHAB C[C@@H]1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1 1734792 SORJRIYVSQTPMJ-XJKSGUPXSA-N 266.340 3.628 0 40 CHAB Oc1c(-c2ccccc2)cnc2c(-c3ccccc3)cnn12 20807652 HURKBRYXIUGMES-UHFFFAOYSA-N 287.322 3.769 0 40 CHAB Cc1cc[n+](CCCCCC[n+]2ccc(C)c(C)c2)cc1C 2165313 KQSYVVDFXJGCRI-UHFFFAOYSA-N 298.474 3.756 0 40 CHAB COc1cccc(Sc2ccc(CN(C)C)cc2)c1 346791 ZQBXXCZHLWQSDA-UHFFFAOYSA-N 273.401 3.908 0 40 CHAB O=C(N1CCOc2ccccc21)C12CC3CC(CC(C3)C1)C2 32624448 VWFDUIKSHVQRMK-UHFFFAOYSA-N 297.398 3.628 0 40 CHAB CC(C)c1cccc(N(C)Cc2nnc(C(C)C)o2)c1 60372823 WAGTWPPFGCZCMH-UHFFFAOYSA-N 273.380 3.953 0 40 CHAB C[C@H](NC(=O)c1ccc(F)cc1F)[C@@H]1C[C@H]2CC[C@H]1C2 102189194 QHQBZSGMQZRVHL-RMIALFOJSA-N 279.330 3.519 0 40 CHAB COc1cc(C)cc2c1O[C@@H](c1ccccc1)CC2=O 4409563 DVKYEWQUGKCKRF-OAHLLOKOSA-N 268.312 3.710 0 40 CHAB Cc1ccc(SCc2nc3ccccc3c(C)[n+]2[O-])cc1 4744237 WIPRPPXYIWITAW-UHFFFAOYSA-N 296.395 3.777 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccco1 32787284 GTDICBZPFTUJKR-JTQLQIEISA-N 263.724 3.766 0 40 CHAB Cc1nn([C@H](C)CC(=O)N[C@@H](C)c2ccccc2)c(C)c1C 4993459 XSFVPXYJGPTCHY-DOMZBBRYSA-N 299.418 3.637 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)C[C@@]43C)[C@H]1CC[C@@H]2O 103172156 ZRIOQYDHRPOBLF-PNOKGRBDSA-N 276.420 3.569 0 40 CHAB CSc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 12039807 IFVCYDBHZVBEGL-ZDUSSCGKSA-N 299.395 3.598 0 40 CHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 579762 MCWLSPBSNBRIJR-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(F)c1 570053 DDAHKBSDPXTOGV-UHFFFAOYSA-N 284.334 3.678 0 40 CHAB aggregator Cc1cc(C)c2c(n1)nn1c(C(F)F)cc(C(F)F)nc21 2786030 YUFCCGBGKGHQLZ-UHFFFAOYSA-N 298.243 3.770 0 40 CHAB O=C(O)c1nc(C(F)(F)F)ccc1-c1cccc(F)c1 47206352 ATMPKSXOIRBAAX-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB COc1ccc(CN[C@@H](C)c2cc(C)sc2C)cc1O 35252890 KQEBAOWATCLIPU-NSHDSACASA-N 291.416 3.930 0 40 CHAB CC[C@@H](C)N[C@@H](C)c1ccc(Br)s1 38001599 YSUVURQIWGMWJH-SFYZADRCSA-N 262.216 3.960 0 40 CHAB Brc1ccc2nc(N3CCCC3)sc2c1 4137878 AYAVCCOKMKNKNY-UHFFFAOYSA-N 283.194 3.659 0 40 CHAB C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccccn1 69509097 RTBNSRDSAICPAF-NSHDSACASA-N 262.303 3.553 0 40 CHAB CCCCNc1ncnc2c1cnn2-c1ccc(C)cc1C 6323216 RJQFOMCVJOLWOV-UHFFFAOYSA-N 295.390 3.644 0 40 CHAB CC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN12 5317850 KHTKXJOBMFMBOM-WMZOPIPTSA-N 278.355 3.966 0 40 CHAB Cc1ccc(/C=C/c2noc(-c3ccccc3O)n2)o1 5419128 CVBGFEVMUIDKKS-CMDGGOBGSA-N 268.272 3.514 0 40 CHAB Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N 19430515 UFOJNUSJWKEEEQ-UHFFFAOYSA-N 294.276 3.848 0 40 CHAB CC1CCN([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 7389260 PGNPCILAJMKQEW-NSHDSACASA-N 298.789 3.538 0 40 CHAB O=C(NCc1ccccc1Cl)c1ccc2c(c1)CCC2 7889087 FAFCTTJJYMAJOJ-UHFFFAOYSA-N 285.774 3.759 0 40 CHAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(F)cn1 96013095 VDUOCQBFNAMAQZ-OAHLLOKOSA-N 299.349 3.898 0 40 CHAB CC(C)c1nnc(-c2cnc3onc(C(C)C)c3c2)o1 71890682 RBUGBHHQIROMNT-UHFFFAOYSA-N 272.308 3.520 0 40 CHAB Cc1nnc([C@H](C)Nc2ccc(OC3CCCC3)cc2)o1 71902430 GLDLWUYCXJMEQM-NSHDSACASA-N 287.363 3.873 0 40 CHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)C1CCCC1 30758159 FPUXRUQGCWECNC-LLVKDONJSA-N 281.783 3.508 0 40 CHAB N[C@@H]1CCCc2c1[nH]c1ccc(C(F)(F)F)cc21 75707194 AQRSYVHLIVGXRZ-SNVBAGLBSA-N 254.255 3.523 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CC(=O)Oc1ccccc1 3845460 HWMGNZIDLAPOLP-QWQRMKEZSA-N 286.371 3.624 0 40 CHAB biogenic FC(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 34056881 JJTQVWHSMBWEJX-UHFFFAOYSA-N 267.037 3.955 0 40 CHAB CC(C)N1CCCC[C@@H]1c1cccnc1N1CCCC1 72216002 RWFJJKPFLDBUNH-MRXNPFEDSA-N 273.424 3.617 0 40 CHAB O=CN1CCCC[C@H]1c1cccnc1Nc1ccccc1 72214170 QXCMJAWRFFMSCZ-INIZCTEOSA-N 281.359 3.509 0 40 CHAB C[C@@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1 32755023 WAGPNQXYTWPOMP-LBPRGKRZSA-N 296.345 3.841 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccoc1 72221625 DAFLONKDRIESFK-LBPRGKRZSA-N 251.326 3.742 0 40 CHAB O=C(NCCc1ccsc1)c1cc2ccccc2s1 225616586 AAGVZVLQXGLQFJ-UHFFFAOYSA-N 287.409 3.935 0 40 CHAB CC[C@@]1(C)Oc2ccc(NCc3c(C)noc3C)cc2O1 191098390 ZASCVDPWSITNOM-INIZCTEOSA-N 288.347 3.801 0 40 CHAB CC(=O)c1ccc(Nc2cnnc3ccccc23)cc1 41122915 GPXJWFCMUMAUTL-UHFFFAOYSA-N 263.300 3.576 0 40 CHAB CN(C(=O)C1(c2ccccc2)CC1)c1ccc(F)cc1 82285361 AVJAZFDGTMVKJX-UHFFFAOYSA-N 269.319 3.520 0 40 CHAB Cc1ccccc1CC(=O)Nc1cncc2ccccc12 89627507 KNVLVTWBEZVOQM-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB COc1ccc(-c2cccc(F)c2)c(C(F)(F)F)n1 47204817 NCTOLICADKUMFX-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)N1CCC[C@H]1c1ccc[nH]1 89767974 YYEZDAUMECNIGC-AWEZNQCLSA-N 291.301 3.662 0 40 CHAB Fc1ccc(Nc2ccc(Br)cn2)cc1 42376643 MDIJJMBTVYKGEZ-UHFFFAOYSA-N 267.101 3.727 0 40 CHAB Clc1ccc(SCCC2CCNCC2)cc1 95908637 PHOIQXJACJABNF-UHFFFAOYSA-N 255.814 3.822 0 40 CHAB COc1ccc(-c2csc(Nc3cc(C)[nH]n3)n2)cc1 255187359 CZHLEPBMHUZOKN-UHFFFAOYSA-N 286.360 3.594 0 40 CHAB CCOc1ccc(CNc2cn(C(C)C)nc2C)cc1 256050089 CPECSRJDBWOAGX-UHFFFAOYSA-N 273.380 3.783 0 40 CHAB Cc1cc(C(=O)COc2ccccc2)ccc1Cl 95916545 XCLSQLCLPWHCMC-UHFFFAOYSA-N 260.720 3.910 0 40 CHAB FC(F)(F)c1cc(N2C[C@H]3CCCC[C@@H]3C2)ccn1 559612272 FDHMFLCKLPMGDT-GHMZBOCLSA-N 270.298 3.727 0 40 CHAB CCCCOc1ccc(C(=O)O)cc1OCCCC 5466353 NKULZYZHHWIWCP-UHFFFAOYSA-N 266.337 3.743 0 40 CHAB Cc1ccccc1COc1cccc(/C=C/C(=O)O)c1 11825765 YHNRSWFSRHIELO-MDZDMXLPSA-N 268.312 3.672 0 40 CHAB CS(=O)(=O)c1ccc(/C=C2/C=Cc3ccccc32)cc1 17004828 XICAFMGQCYYCRA-QINSGFPZSA-N 282.364 3.658 0 40 CHAB COc1ccccc1NC(=O)N(C)[C@@H](C)c1ccccc1 18180967 RWKSJRJVCWAYBT-ZDUSSCGKSA-N 284.359 3.920 0 40 CHAB O=C(CCc1cccc(Cl)c1)N1[C@H]2C=CC[C@H]1CC2 208019015 GHKCBMJLVONWSY-GJZGRUSLSA-N 275.779 3.592 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)c1cc(C2CC2)[nH]n1 6942362 VJQUFGPCUQMYES-UHFFFAOYSA-N 275.739 3.501 0 40 CHAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccco1 9912202 JWCZDFXGSRNPQG-GFCCVEGCSA-N 282.343 3.571 0 40 CHAB Cc1ccsc1C(=O)NC1CCC(C(F)(F)F)CC1 22992296 XTRHEAYHHQHJJK-UHFFFAOYSA-N 291.338 3.907 0 40 CHAB Clc1ccc(CN2CCCc3ccccc32)cn1 19803107 HSSIQSFBGJTCDP-UHFFFAOYSA-N 258.752 3.688 0 40 CHAB Cc1cccc(NC(=O)[C@H](C)SCc2cc(C)on2)c1 27191214 GMRZGLXQYMBTLE-LBPRGKRZSA-N 290.388 3.552 0 40 CHAB CC[C@H](NC(=O)c1cccs1)c1ccc(OC)cc1 20042415 QBSUWNFTBJKWHL-ZDUSSCGKSA-N 275.373 3.638 0 40 CHAB Cc1ccc(NC(=O)NCc2cncc(C3CC3)c2)cc1C 575620956 SAECGCQIRSQGHE-UHFFFAOYSA-N 295.386 3.898 0 40 CHAB Cc1cc(C)nc(NC(=O)Nc2ccc3c(c2)CCC3)c1 20353162 FQWHLPXXDSHJMY-UHFFFAOYSA-N 281.359 3.831 0 40 CHAB C[C@@H](CC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 50822260 ZBQVMTKUFJJTKG-HNNXBMFYSA-N 294.398 3.766 0 40 CHAB O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc2c(c1)CCC2 20457531 FSZLKKSIVKTXRY-UHFFFAOYSA-N 296.326 3.518 0 40 CHAB Cc1nc(NC(=O)C2CCC2)sc1-c1ccccc1 31968371 PBKLENRCRRWSNB-UHFFFAOYSA-N 272.373 3.857 0 40 CHAB O=C(CCc1ccccc1)NCCc1ccc(Cl)cc1 36012 UTRGUWYGEYJAEA-UHFFFAOYSA-N 287.790 3.632 0 40 CHAB CN(C)Cc1cc(-c2c(Cl)cccc2Cl)no1 1611289 LWHQQJVNDLSESF-UHFFFAOYSA-N 271.147 3.710 0 40 CHAB C[C@@H](CCc1ccco1)NC(=O)N(C)Cc1ccsc1 32795202 WBDWLPCZTQYYDQ-LBPRGKRZSA-N 292.404 3.504 0 40 CHAB O=c1[nH]c2ccccc2c(O)c1SCc1ccccc1 6666572 SCHABODZAWAYNV-UHFFFAOYSA-N 283.352 3.526 0 40 CHAB Cc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886048 IYMBKVGWXSMXSX-KRWDZBQOSA-N 278.355 3.724 0 40 CHAB O=C(COC(=O)c1cccs1)c1ccc2ccccc2c1 482371 PNWPVJRAOUNGON-UHFFFAOYSA-N 296.347 3.941 0 40 CHAB Cc1nc(Cc2ccc(F)cc2Cl)sc1C(=O)O 37408019 FRSGJOXREOPAOM-UHFFFAOYSA-N 285.727 3.533 0 40 CHAB CCOC(=O)NC(=C(Cl)Cl)c1ccc(C)c(F)c1 3190364 AHLYHHFYXJOCKE-UHFFFAOYSA-N 292.137 3.984 0 40 CHAB CCc1ccccc1NC(=O)NCc1ccc(F)cc1 17007077 LEUMYNVMCHSJGM-UHFFFAOYSA-N 272.323 3.710 0 40 CHAB Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)nc1 57994765 RWLRTAYFLPVPLU-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB c1ccc(-c2cc(-c3cn4ccccc4n3)on2)cc1 1382753 SDQMQHANYZXDJD-UHFFFAOYSA-N 261.284 3.656 0 40 CHAB Cc1ccc(NC(=O)CC(C)C)c(OC[C@H]2CCCO2)c1 55652801 JHPKRRWTPSTGMJ-CQSZACIVSA-N 291.391 3.537 0 40 CHAB OC1=Nc2n[nH]cc2[C@H](c2ccc(F)cc2Cl)SC1 20744942 WCKXRDOOTFJIQB-NSHDSACASA-N 297.742 3.626 0 40 CHAB CC(C)(CO)[C@H]1O[C@H]2CCCC[C@@H]2[C@H]2C=CCC[C@H]12 102805116 UUJKDBXPGVPHKQ-OWYFMNJBSA-N 264.409 3.545 0 40 CHAB COc1cccc(Nc2nnc(SC(C)C)s2)c1 10267636 INJBDWVIUNVWLI-UHFFFAOYSA-N 281.406 3.791 0 40 CHAB CCCCC[C@@H]1C[C@@H](COc2ccccc2)OC1=O 2116243 HPDUUKCYHLISGS-HIFRSBDPSA-N 262.349 3.577 0 40 CHAB biogenic Cc1cc(C)c(S(=O)(=O)NC2CCCCCC2)c(C)c1 3349441 ARNMPSRYBDZPRN-UHFFFAOYSA-N 295.448 3.613 0 40 CHAB CN(C(=O)C1CCCCC1)c1nc2ccccc2s1 12814470 APGABNBECMMDNZ-UHFFFAOYSA-N 274.389 3.839 0 40 CHAB O=C(CCCc1c[nH]c2ccccc12)NCc1cccs1 3406550 YGDIBUJFPFPDFC-UHFFFAOYSA-N 298.411 3.869 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC=CCC1 13017111 UXZWTJBVZSWCSY-LLVKDONJSA-N 279.767 3.952 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 13005236 NWIPCHUZRIEJAC-CQSZACIVSA-N 295.382 3.890 0 40 CHAB O=C(Cc1ccsc1)NCC12CC3CC(CC(C3)C1)C2 8521120 BFIKPISDZLHDNA-UHFFFAOYSA-N 289.444 3.623 0 40 CHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C=O)c(C)c1 3887942 YSWSYBAHGDBUAW-UHFFFAOYSA-N 276.339 3.969 0 40 CHAB Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)O)c2c1 4137066 ZZFYUPAEXUXJNY-UHFFFAOYSA-N 294.354 3.946 0 40 CHAB CSc1nc(C)nc2sc3c(c12)CCCC3 6113749 LJTLMMFEQYJNJA-UHFFFAOYSA-N 250.392 3.600 0 40 CHAB CCc1ccc2[nH]c3nc(SCC(C)C)nnc3c2c1 5686797 URCYTKIUZXIOMP-UHFFFAOYSA-N 286.404 3.817 0 40 CHAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1C 7886460 RPEGTKVMJQVNSN-QGZVFWFLSA-N 280.371 3.972 0 40 CHAB CC(C)CNC(=O)c1ccc(C2SCCS2)cc1 9500087 ASUZGPTXGZIPGQ-UHFFFAOYSA-N 281.446 3.551 0 40 CHAB CC[C@H](C)[C@@H]1CCCCN1c1ccc(C(F)(F)F)nn1 95985533 WBBSHRGEYHVTAG-QWRGUYRKSA-N 287.329 3.900 0 40 CHAB C[C@H](Nc1ccc(CN2CCCC2=O)cc1)C1CCCC1 95990704 PAEJFWYREIDHFP-AWEZNQCLSA-N 286.419 3.800 0 40 CHAB O=C(O)c1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 95943461 WABKVKIQVDGCKC-QPJJXVBHSA-N 288.249 3.559 0 40 CHAB CC(C)SCC(=O)c1ccccc1Br 37687618 KAQZYCZXJUOUHM-UHFFFAOYSA-N 273.195 3.773 0 40 CHAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCC1 32103033 BRGKEWVDUKYFNK-UHFFFAOYSA-N 292.338 3.731 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCCCC1 30855439 XOSKMPIQFSFUJD-CYBMUJFWSA-N 281.783 3.510 0 40 CHAB COc1ccc(-c2cccc([C@H]3CCCN(C)C3)n2)cc1 72348559 AWEYGYLEOJNSNG-HNNXBMFYSA-N 282.387 3.566 0 40 CHAB O=C1c2ccccc2-c2c[nH]c3ccc(N4CCCC4)c1c23 66089237 OWPINLCHFUSSDS-UHFFFAOYSA-N 288.350 3.980 0 40 CHAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)c1 30850948 QBWRBLFHLNUFAM-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB Cc1cc(-n2cnnc2)cc2nc(-c3ccccc3F)oc12 73639443 DFYLMJOABUPJKQ-UHFFFAOYSA-N 294.289 3.523 0 40 CHAB CCNCc1cccc(-c2cncc(C(F)F)c2)c1 521398302 AKKZGFOBHUKKDH-UHFFFAOYSA-N 262.303 3.796 0 40 CHAB Cc1cccc(C(=O)NC(C)(C)Cc2ccccc2)c1 40620985 ZQLIEMODICFPEN-UHFFFAOYSA-N 267.372 3.746 0 40 CHAB CC(C)C(NC(=O)Cc1ccccc1Cl)C(C)C 225435270 NNEDNDZZIPYYAE-UHFFFAOYSA-N 267.800 3.679 0 40 CHAB CN(C)C(=S)c1ccc(-c2ccc(Cl)cc2)o1 40538092 UUEGNWBPMLPXMO-UHFFFAOYSA-N 265.765 3.837 0 40 CHAB COc1cc2sc(C(=O)O)c(Cl)c2c(C)c1C 228954565 INTQSHSJZVVYOG-UHFFFAOYSA-N 270.737 3.878 0 40 CHAB Cc1ccc(CNc2ccc(Cl)c(C[S@](C)=O)c2)o1 195559084 VWAXCXZXRYERRB-IBGZPJMESA-N 297.807 3.732 0 40 CHAB CC(C)n1nc(C2CC2)cc1CNc1cc(C2CC2)nn1C 256051863 KUDTWLBSBFHCCD-UHFFFAOYSA-N 299.422 3.564 0 40 CHAB C[C@H](NC(=O)C(C)(C)C)c1cccc(Br)c1 30464659 MODOWYYSDCXCPY-VIFPVBQESA-N 284.197 3.672 0 40 CHAB CC(C)(C)Oc1ccc(C(=O)c2ccccc2C(=O)O)cc1 95633977 WWACAFRXBOLLHS-UHFFFAOYSA-N 298.338 3.793 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCC[C@H]1C1CCC1 102939778 UXXCXTWOLZWWNA-AWEZNQCLSA-N 262.328 3.622 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)NC1CCCCC1 13994798 ZSWNZWDQJIOWJD-OAHLLOKOSA-N 275.392 3.601 0 40 CHAB Cc1ccc(C)c(S[C@@H](C)C(=O)NC2CCCC2)c1 14185350 KLGBHFNCLMXFMT-ZDUSSCGKSA-N 277.433 3.843 0 40 CHAB Cc1nn([C@H](C)c2ccccc2)c2nc3ccccc3nc12 16266436 VLLRLIHVUXCFGH-CYBMUJFWSA-N 288.354 3.897 0 40 CHAB Nc1cccc(/C=C(/C(=O)O)c2ccc(Cl)cc2)c1 1569680 QIACOQUFCZWFHW-NTEUORMPSA-N 273.719 3.547 0 40 CHAB COc1ccc(CNCc2ccccc2Cl)c(OC)c1 8473102 KTQUOEDSRZRDKF-UHFFFAOYSA-N 291.778 3.647 0 40 CHAB COc1cccc([C@H](C)NCCc2ccccc2)c1 19919876 ISQOEQSIAKIDNY-AWEZNQCLSA-N 255.361 3.589 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 9997169 ZWQGFTLKHGUTAB-VXGBXAGGSA-N 294.826 3.565 0 40 CHAB CC(C)COc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 20092442 HZESBAYBKQOVNF-PBHICJAKSA-N 277.408 3.551 0 40 CHAB Cc1cc(Cl)nc(Oc2ccc(Cl)cc2)c1C(N)=O 54344 FKGSQKHOISCTNR-UHFFFAOYSA-N 297.141 3.588 0 40 CHAB CCC1=C(C)CCN(C)[C@H]1Cc1ccc(OC)cc1 5964890 AHSPWXSKMOGFRH-KRWDZBQOSA-N 259.393 3.668 0 40 CHAB CC(C)Cc1noc(CN2CCC[C@@H]2c2cccs2)n1 40050398 WHZLCDNWAMSLLG-GFCCVEGCSA-N 291.420 3.667 0 40 CHAB CCOc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1 60359 JLECVQFDYUGISI-GOSISDBHSA-N 292.382 3.802 0 40 CHAB biogenic,in-vitro O=C(c1ccccc1)c1cc(F)c(F)cc1Cl 89421 QRXJUNFEAMJIBJ-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB Cc1c(Cl)cccc1-c1[nH]c(C=O)nc1Br 1857794757 JNSNBQLAZFSWIM-UHFFFAOYSA-N 299.555 3.614 0 40 CHAB COc1ccccc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 201768 UTRVMFKOYIQRGJ-UGSOOPFHSA-N 287.403 3.736 0 40 CHAB C[C@H](NC(=O)NCc1ccccc1)c1ccc(F)c(F)c1 7779421 RDSDMZZEXBHXAL-NSHDSACASA-N 290.313 3.525 0 40 CHAB CC(C)OC(=O)N(C(=O)OC(C)C)c1ccccc1 1732311 FEOIRMZJKZPXAE-UHFFFAOYSA-N 265.309 3.583 0 40 CHAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccoc1 29674618 GVCYIWIMQGJXPD-UHFFFAOYSA-N 285.274 3.609 0 40 CHAB CCOC(=O)Cc1csc(Nc2cc(C)cc(C)c2)n1 6026542 DQERIHOTGDWEGL-UHFFFAOYSA-N 290.388 3.609 0 40 CHAB Cc1cccc(NC(=S)N2CCn3cccc3[C@H]2C)c1 7581997 NCGMHKIXSWTVQO-CYBMUJFWSA-N 285.416 3.570 0 40 CHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cccs1 32817550 VCDFWGQYXUBYES-UHFFFAOYSA-N 297.339 3.583 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1 32904268 BLGUGNISUUWZDP-INIZCTEOSA-N 284.334 3.506 0 40 CHAB C[n+]1ccc(/C=C/c2c[nH]c3ccc(Cl)cc23)cc1 9135236 LMYZTPWMARBTEM-UHFFFAOYSA-O 269.755 3.816 0 40 CHAB COc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1 7829352 XQPBPVSVNRTXDX-LLVKDONJSA-N 287.384 3.516 0 40 CHAB Cc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1 539170 NWWFIIITDUUKLS-UHFFFAOYSA-N 254.260 3.908 0 40 CHAB biogenic C[C@]12C[C@@H]3C[C@@](CO)(C1)C[C@@](c1ccccc1)(C3)C2 100318095 VXVYHNLYSSEXRR-BZZMCLGOSA-N 256.389 3.907 0 40 CHAB CCCCO[C@H]1C[C@@H]2c3ccccc3[C@@H]1c1cccc[n+]12 104106115 VCJVDCDMNOMMRL-CEXWTWQISA-N 280.391 3.598 0 40 CHAB Cc1[nH]n(C(C)(C)C)c(=O)c1-c1ccc(Cl)cc1 1400722 SIAPKVFRTVCDLF-UHFFFAOYSA-N 264.756 3.560 0 40 CHAB Cc1cccc(C)c1NC1=NN=C(c2ccco2)CS1 12543797 UGOPBDUWYGAHLZ-UHFFFAOYSA-N 285.372 3.815 0 40 CHAB COc1ccccc1-c1cc(O)n(-c2ccc(C)cc2)n1 10157356 BNRWRBCDXZHCNI-UHFFFAOYSA-N 280.327 3.562 0 40 CHAB N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 12505305 JZJJTQVNFGDENN-AWEZNQCLSA-N 299.761 3.633 0 40 CHAB Fc1ccccc1NCc1nc(-c2ccsc2)no1 44875158 NPRVEJRUFIIGSS-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB O=C(Nc1ccccc1O)c1ccc(OC(F)(F)F)cc1 16483027 MUJMRAHJYHWMQF-UHFFFAOYSA-N 297.232 3.543 0 40 CHAB CC(C)c1ccc(NC(=O)c2ccccc2CC(=O)O)cc1 2381045 HWVXCWBFAPHZOQ-UHFFFAOYSA-N 297.354 3.689 0 40 CHAB COc1cc(C(=O)Nc2ccc(SC)cc2)ccc1C 8049554 LCEUBNMOCIEZKZ-UHFFFAOYSA-N 287.384 3.978 0 40 CHAB Cc1ccc2nc(NC(=O)c3cccs3)sc2c1 3325568 WWHQWVQIQOJOSU-UHFFFAOYSA-N 274.370 3.919 0 40 CHAB CCCN1C(=O)c2ccccc2N[C@H]1/C=C/c1ccco1 48354576 RKMNNQYQORMOGY-ZNFPLGDCSA-N 282.343 3.597 0 40 CHAB Nc1ncc(Cc2c(Cl)cccc2Cl)s1 3491491 YTRQCFMFZRRPEL-UHFFFAOYSA-N 259.161 3.623 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cs2)cc1 3413663 MWNVPSFWRDTFSO-LLVKDONJSA-N 292.429 3.879 0 40 CHAB O=C(Nc1cccc(F)c1)c1ccccc1OC(F)F 12975673 UFSCZHCLHCCMQT-UHFFFAOYSA-N 281.233 3.679 0 40 CHAB C[C@H](Sc1nc2ncccn2n1)c1cccc(Cl)c1 48834350 BPXSZYKXAMRTQT-VIFPVBQESA-N 290.779 3.631 0 40 CHAB Cc1[nH]ccc(=O)c1OCc1c(Cl)cccc1Cl 8670300 MKAXBQOCMBGUII-UHFFFAOYSA-N 284.142 3.569 0 40 CHAB CSc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 13737198 QFVNBSDTVMZLJM-VXGBXAGGSA-N 278.421 3.918 0 40 CHAB O=c1cc(Sc2nc3ccccc3[nH]2)c2ccccc2o1 8716912 RQJLJXBZQCZFGJ-UHFFFAOYSA-N 294.335 3.821 0 40 CHAB Cc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)o1 5421275 CAAPKUGDNNVPJI-UHFFFAOYSA-N 296.370 3.661 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 4666369 PPXIKLMMTTXNLM-KBPBESRZSA-N 261.409 3.903 0 40 CHAB Cc1ccc(NC(=O)CCN2C[C@@H](C)C[C@H](C)C2)cc1C 4744722 PZFJVVRWNVRPQM-KBPBESRZSA-N 288.435 3.610 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)C1CCCCC1 8987508 VFSJKWJLCLSXPG-CQSZACIVSA-N 275.417 3.920 0 40 CHAB Cc1cn2c(n1)[C@H](CN[C@H](C)CCc1ccccc1)CCC2 95402206 VOGUPXQIKUDKHM-QAPCUYQASA-N 297.446 3.680 0 40 CHAB CNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 20158551 DMMFHPJPBXAZPV-UHFFFAOYSA-N 256.132 3.973 0 40 CHAB CC[C@H](c1ccccc1)c1nc(-c2cccc(O)c2)no1 20432825 RWLYPDKMCMRBLZ-OAHLLOKOSA-N 280.327 3.984 0 40 CHAB CCCCOCc1c(Br)cnn1CCCC 408716516 NVMMHPSVLMUABO-UHFFFAOYSA-N 289.217 3.762 0 40 CHAB CC[C@H](C)n1cc(Br)c(COC(C)C)n1 408715972 HIRTZSURIAXWQS-VIFPVBQESA-N 275.190 3.542 0 40 CHAB O=C(O)c1cnc(-c2c(Cl)cccc2Cl)s1 36930141 CYAQBLXUIKZTRB-UHFFFAOYSA-N 274.128 3.815 0 40 CHAB C[C@@H]1CS[C@H](C=Cc2ccccc2[N+](=O)[O-])S1 3845016 FSFJFWRVPPIIFR-SKDRFNHKSA-N 267.375 3.803 0 40 CHAB biogenic CCCN1CCCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 72218818 ZFXBBNMIPMTLQX-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB CCC1(CC)C[C@@H](NC(=O)C(C)C)c2ccccc2O1 225148146 FNIUDLRINQCHMO-CQSZACIVSA-N 275.392 3.841 0 40 CHAB COc1ccc(CNC(=O)c2cc3cccc(C)c3o2)cc1 41306849 PEFLGMWTTMPTDF-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB CC(C)c1ccc(C(=O)Nc2ccc(N(C)C)c(N)c2)cc1 226265551 RFGOKHVCFZKLCX-UHFFFAOYSA-N 297.402 3.711 0 40 CHAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(C)cc2)c1 44845731 MMQKHYUUKZBUEW-CYBMUJFWSA-N 299.370 3.503 0 40 CHAB CC1=C(c2ccco2)CN(C(=O)c2occc2C)CC1 225762962 BTKYYBOHVBPOQR-UHFFFAOYSA-N 271.316 3.501 0 40 CHAB O=C(O)CCc1cc(C(F)(F)F)cc(Cl)c1F 228960190 VTXSFIMHZSIJRU-UHFFFAOYSA-N 270.609 3.515 0 40 CHAB Cc1cc(C(=O)Nc2cncc3ccccc23)c(C)o1 89626288 UCFABRSKUNQVGI-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CCC(CC)NC(=S)Nc1ccc(OC)c(Cl)c1 225800827 GWVDDPOQOAZPDX-UHFFFAOYSA-N 286.828 3.824 0 40 CHAB C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 226893493 RAEVZJVIAYFCKP-XIEFCJDVSA-N 283.415 3.731 0 40 CHAB CC[C@@H](C(=O)O)N(CC)c1cc(Cl)cc(Cl)c1 224995754 BFJZTYAEJDZYBS-NSHDSACASA-N 276.163 3.683 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1C 40493886 HCQYPYYIWVHAFS-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB Cc1ccc(C(=O)c2cccc(C3OCCO3)c2)c(C)c1 43212550 UGXTXQYYLWQYJC-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB CCc1ccc(NC(=O)[C@H](C)c2ccccc2)cc1 85423475 BEWRKDYEYYOAOY-CYBMUJFWSA-N 253.345 3.991 0 40 CHAB CCCCCNC(=S)Nc1cccc(OC(C)C)c1 225378904 NKDYVTVVYUQWLN-UHFFFAOYSA-N 280.437 3.950 0 40 CHAB Cc1cc(C)cc(C[C@@H](OCc2ccccc2)C(=O)O)c1 225039064 NQRDACWLJCGSND-QGZVFWFLSA-N 284.355 3.516 0 40 CHAB O=C(NCCSCc1ccc(Cl)cc1)C1CCCC1 98079470 UYNVFLKSQCJCOG-UHFFFAOYSA-N 297.851 3.880 0 40 CHAB CCc1cc(CN[C@H](CC)c2ccc(F)cc2F)on1 95423059 FAPGTYGALURDMX-OAHLLOKOSA-N 280.318 3.756 0 40 CHAB Oc1ccc(NCCCC(F)(F)C(F)(F)F)cc1 98211046 FZSWMVBKTWLFCA-UHFFFAOYSA-N 269.213 3.782 0 40 CHAB O=C(CC(F)(F)F)Nc1ccccc1OC1CCCC1 46665513 CSEMNESPABNGCM-UHFFFAOYSA-N 287.281 3.899 0 40 CHAB C(=C/c1nc2ccccc2[nH]1)\c1nc2ccccc2[nH]1 4149577 OLUOIVJKRJJSKM-MDZDMXLPSA-N 260.300 3.610 0 40 CHAB CCC(=O)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 12233026 NIPTWSMDUFPCSY-UHFFFAOYSA-N 299.355 3.814 0 40 CHAB Cc1ccccc1CNC(=O)CCSCc1ccccc1 13687953 NQHRPAXRPZJYBN-UHFFFAOYSA-N 299.439 3.935 0 40 CHAB Fc1cccc(NC(=S)NC2CCCCCC2)c1 13818400 BNCROBJOPVPWDV-UHFFFAOYSA-N 266.385 3.835 0 40 CHAB CCCCCNC(=S)Nc1ccc(CC)cc1 13818884 LOTJEDRNKIUAKT-UHFFFAOYSA-N 250.411 3.726 0 40 CHAB c1ccc2c(CCNCc3cccc4[nH]ccc34)c[nH]c2c1 15423517 JAIAWAOWCKYYLF-UHFFFAOYSA-N 289.382 3.982 0 40 CHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cc1 15539367 YIVAKVALBDJQEK-KRWDZBQOSA-N 281.355 3.673 0 40 CHAB Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 35333052 UGLMJPBIBIZJJZ-UHFFFAOYSA-N 254.264 3.748 0 40 CHAB in-vitro COc1cc2c(cc1OC)C(C)=NC1(CCCCC1)C2 53003 FIRMLYMKEUTOGJ-UHFFFAOYSA-N 273.376 3.772 0 40 CHAB Cc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)no1 4538729 LMZSVEYBHQZEGI-UHFFFAOYSA-N 286.262 3.634 0 40 CHAB C[C@H]1C[C@H](C)CN(CCCCOc2ccc(C=O)cc2)C1 217794188 HAEDRGRMWFMHCG-HOTGVXAUSA-N 289.419 3.636 0 40 CHAB Cc1cc(C)cc(C(=O)c2cccc(CN3CCC3)c2)c1 2515126 QXJZPYATHKLQCV-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB COc1cccc([C@H](C)NC(=O)c2ccc(Cl)cc2)c1 17022303 GYMGAEDQELJQCI-NSHDSACASA-N 289.762 3.840 0 40 CHAB COc1ccc(C(=O)c2ccccc2C(F)(F)F)cc1 36942011 OQRQONQZOIINRX-UHFFFAOYSA-N 280.245 3.945 0 40 CHAB CCO[C@@]1(c2ccccc2)Oc2ccccc2C=C1OC 4726193 VJOWBNCLHOOQKK-SFHVURJKSA-N 282.339 3.956 0 40 CHAB c1cnc2c(OC[C@H]3CCCN4CCCC[C@H]34)cccc2c1 4731343 YTPGZPIZLZHNLJ-IAGOWNOFSA-N 296.414 3.878 0 40 CHAB biogenic,in-vitro CCN(C(=O)OC)[C@@H](c1ccccc1)[C@H]1CCCCC1=O 478179 BVPOVRXTVIIQRZ-HOCLYGCPSA-N 289.375 3.575 0 40 CHAB CC(C)COC(=O)Nc1cc2ccccc2cc1C(=O)O 21786779 TZBARYVWRIWADE-UHFFFAOYSA-N 287.315 3.743 0 40 CHAB Clc1ncccc1CSc1nc2ccccc2[nH]1 52727653 ZJKGGWUJHDJCKI-UHFFFAOYSA-N 275.764 3.904 0 40 CHAB O=C(O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 37374933 CGUGZTHXTKFWPR-CYBMUJFWSA-N 280.682 3.684 0 40 CHAB in-vitro O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCCC1 9466060 JXRUOQZMKZIMBX-UHFFFAOYSA-N 287.359 3.857 0 40 CHAB CCOc1ccc(OC(=O)c2cccc3cccnc23)cc1 47742980 OYXROMBJBBMYTO-UHFFFAOYSA-N 293.322 3.853 0 40 CHAB O=C(Nc1nc2ccccc2s1)Oc1ccccc1 12505266 JRLUQGSODQQBFK-UHFFFAOYSA-N 270.313 3.907 0 40 CHAB Cc1cccc(C(=O)N2CCSc3ccccc32)c1 58007563 VMPNRQAXCXSEDV-UHFFFAOYSA-N 269.369 3.748 0 40 CHAB C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccco1 12534128 WEPBYCVQPOFBEK-CYBMUJFWSA-N 280.327 3.561 0 40 CHAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)O 22143117 ZWWUYGVPPJUZQO-UHFFFAOYSA-N 295.747 3.660 0 40 CHAB C[C@H](c1cccs1)N(C)C(=O)Cc1c[nH]c2ccccc12 24538408 GFVGZVMIUVAJCA-GFCCVEGCSA-N 298.411 3.992 0 40 CHAB O=C1OC(c2ccccc2)=N/C1=C\C=C\c1ccccc1 12655204 AYHSMADDXZUZBX-SBFJKYRKSA-N 275.307 3.587 0 40 CHAB biogenic Cc1ccc(N2C(=O)S[C@@H](Cc3ccccc3)C2=O)cc1 1453065 FREQJMOEDUGQIE-HNNXBMFYSA-N 297.379 3.806 0 40 CHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3)c12 12781219 WEVXBOZXMJVXLI-UHFFFAOYSA-N 293.326 3.661 0 40 CHAB Cc1cc(N2CCCCC2)ccc1Br 114612456 TZKJROSPLLAUDP-UHFFFAOYSA-N 254.171 3.748 0 40 CHAB FC(F)(F)c1cccc(-c2nc(-c3cccnc3)no2)c1 12855767 STVWNXNEBUAGLY-UHFFFAOYSA-N 291.232 3.817 0 40 CHAB CCOC(=O)/C=C(\C)Nc1cc2c(C)c(C)[nH]c2cc1C 3622950 ZQCNNTAQMDJIFR-DHZHZOJOSA-N 286.375 3.972 0 40 CHAB CCO[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1 5247595 GOKVIMNWZMCYMH-SJORKVTESA-N 269.344 3.932 0 40 CHAB Cc1ccc(F)cc1NC(=O)N(Cc1ccncc1)C1CC1 65496168 XFCZMRVCVWPGAV-UHFFFAOYSA-N 299.349 3.726 0 40 CHAB Cc1cc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)no1 6787609 KBFKQRIAPFTOCM-LBPRGKRZSA-N 296.326 3.542 0 40 CHAB O=C(Nc1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1 28090586 NCDNMGMSQSJRCE-LSDHHAIUSA-N 255.292 3.568 0 40 CHAB Cc1nccc(NC(=O)c2cccc(F)c2F)c1Cl 97080066 USZWSPXZBLOMGU-UHFFFAOYSA-N 282.677 3.574 0 40 CHAB COc1ccc2c(Cc3ccccc3)cncc2c1O 5640375 TWLWTVSLAMLHIP-UHFFFAOYSA-N 265.312 3.540 0 40 CHAB biogenic CCN(C(=O)CSc1ccccc1)c1ccccc1 31850696 HTXZJAOVTJVRBV-UHFFFAOYSA-N 271.385 3.832 0 40 CHAB c1cnc2c(SCCOC[C@H]3CCCO3)cccc2c1 78954885 KSRALRWDAWBPDR-CQSZACIVSA-N 289.400 3.523 0 40 CHAB CC[C@H](Nc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C 72207612 ZMQWDSNVWJAVAT-OCCSQVGLSA-N 278.396 3.790 0 40 CHAB O=C(O)[C@H](Cc1ccccc1F)Oc1ccc(Cl)cc1 73312836 HVZUYEQXUQHOKT-AWEZNQCLSA-N 294.709 3.554 0 40 CHAB CC(C)c1cc(-c2ccc(Br)cc2)[nH]n1 72220393 VLVSKRNYKADZMG-UHFFFAOYSA-N 265.154 3.963 0 40 CHAB Cc1ncccc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 329527687 UJCAXCFSWPBWHG-MRXNPFEDSA-N 296.370 3.536 0 40 CHAB CCCCOc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 225167350 UGDAUCKIQJGURM-YOEHRIQHSA-N 277.408 3.695 0 40 CHAB c1ccc2c(N3CCCCCC3)nc(N3CCCC3)nc2c1 41149298 MQUBYENGCSSXMW-UHFFFAOYSA-N 296.418 3.610 0 40 CHAB COc1ccc(NC(=O)C2(C)CC2)c2ccccc12 225930754 KTKDOADDBKNPOZ-UHFFFAOYSA-N 255.317 3.587 0 40 CHAB Cc1cc(Br)cnc1Nc1ccccc1 42783985 ALWRPFMIVJFNGD-UHFFFAOYSA-N 263.138 3.896 0 40 CHAB Cc1ccc(CCC(=O)NC[C@H](C)c2ccccc2)cc1 224038444 GHFQTQCQFFVYSO-INIZCTEOSA-N 281.399 3.848 0 40 CHAB CC(C)C(NC(=S)Nc1cccc(F)c1)C(C)C 225326929 UYQODQNEQHYVSE-UHFFFAOYSA-N 268.401 3.793 0 40 CHAB O=C(O)C1(c2cccc(Cl)c2Cl)CCCC1 390047117 CTXBJKGVPYIQTR-UHFFFAOYSA-N 259.132 3.890 0 40 CHAB Brc1ccc2c(Br)nccc2c1 85650624 UZACKZSZCGYJJJ-UHFFFAOYSA-N 286.954 3.760 0 40 CHAB C[C@H](NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 15626119 TXPYTVDKXFWOGH-VIFPVBQESA-N 295.169 3.879 0 40 CHAB Cc1nc(NC(=O)c2nc3ccccc3s2)sc1C 8737667 GGFADHPSWAMGNQ-UHFFFAOYSA-N 289.385 3.622 0 40 CHAB OC1=NC(=S)S/C1=C/c1ccccc1OC(F)F 12719669 JGZBNVQIQJRQHN-VMPITWQZSA-N 287.312 3.617 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)n[nH]2)s1 32032300 WJNIXWXXEJECKT-UHFFFAOYSA-N 283.356 3.699 0 40 CHAB Cc1ccc(OCCC(=O)NC[C@@H](C)c2ccccc2)cc1 40160131 QUJCNLHHNXQZHP-MRXNPFEDSA-N 297.398 3.684 0 40 CHAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\O)c2c1 151703 LJEMUBNWZXQYPF-KNTRCKAVSA-N 295.338 3.961 0 40 CHAB CCc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 11750059 FAZGIIVOSMXVRC-UHFFFAOYSA-N 279.383 3.711 0 40 CHAB CC(C)OC(=O)c1ccc(-c2ccc(N)cc2)cc1 2528983 OUJPIINBRGJOGR-UHFFFAOYSA-N 255.317 3.501 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1ccc(F)cc1 3103894 WHQPNDYHAKGGDL-GFCCVEGCSA-N 251.345 3.772 0 40 CHAB O=C(NCc1cccs1)c1ccc(Cl)c(Cl)c1 3557890 UVAGBKQIGXCQEE-UHFFFAOYSA-N 286.183 3.985 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2N 4073562 WDTAJXMIXADUTH-IWYSFSABSA-N 291.479 3.717 0 40 CHAB biogenic CN1c2ccccc2C=C[C@H]1C(Cl)(Cl)Cl 4457478 SMDHWZUYYVGBDL-JTQLQIEISA-N 262.567 3.888 0 40 CHAB CC1(C)CCC[C@]2(C)[C@@H]3CC(=O)O[C@]3(C)CC[C@H]12 354045 IMKJGXCIJJXALX-GUYJKWIASA-N 250.382 3.935 0 40 CHAB CCOc1cccc(NC(=O)Nc2ccccc2OC)c1 55338177 TVLUJDJCXWFFJV-UHFFFAOYSA-N 286.331 3.738 0 40 CHAB Cc1ccc2c(c1)C=C(C(=O)NC1CCCCC1)C=CO2 33321267 JUQGGUVPZSHCMI-UHFFFAOYSA-N 283.371 3.733 0 40 CHAB COc1ccc(Sc2cnc3ccccc3n2)cc1 3015998 HCPUDQINSCLOJH-UHFFFAOYSA-N 268.341 3.790 0 40 CHAB Cc1nc2ccccc2c(C)c1C(=O)NC1CCCCC1 7918556 AOJVCJXBKBOBJT-UHFFFAOYSA-N 282.387 3.914 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102235935 IBWPVCBFEGOSML-SVGFKBNWSA-N 271.404 3.560 0 40 CHAB O=C(/C=C/c1ccco1)N[C@H]1CCCC[C@@H]1C(F)(F)F 25048409 ZFVLTBWHFLFXPZ-BRQSLIGTSA-N 287.281 3.530 0 40 CHAB Cc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1C 12545294 OKTWZAVGBHCBMC-UHFFFAOYSA-N 268.360 3.622 0 40 CHAB O=C(Oc1ccc(F)cc1)c1c(F)cccc1Cl 3221113 VLWVRVYMMGANRA-UHFFFAOYSA-N 268.646 3.837 0 40 CHAB Cc1cc(C)cc(N[C@@H](C)C(=O)N(C(C)C)C(C)C)c1 57634906 KMBKUHKSFLTBDB-HNNXBMFYSA-N 276.424 3.749 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1cncc2ccccc12 45028914 SVJIFJWBPYYESG-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB c1nc2n(n1)C1=C(CCCCC1)C1(CCCCCC1)N2 3348766 LIPAMZOQMBHYNY-UHFFFAOYSA-N 272.396 3.972 0 40 CHAB COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCCCCC2 28875643 OKWRDLQBKAOJNC-LBPRGKRZSA-N 292.375 3.843 0 40 CHAB biogenic,in-vitro CN(CC(=O)Nc1ccc2ccccc2c1)c1ccccc1 3417857 YKEZQKIYNXCEPP-UHFFFAOYSA-N 290.366 3.915 0 40 CHAB COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1Cl 3472261 JSUWHVPAHLPZOD-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccco1 12980262 UJUSCEAHIYPDOF-LLVKDONJSA-N 293.775 3.900 0 40 CHAB Cc1c(C2CC2)n[nH]c1NC(=O)[C@@H]1CCCc2ccccc21 69844929 HQTVAXLMGUITLW-OAHLLOKOSA-N 295.386 3.654 0 40 CHAB CCCN(CCC)[C@H]1CCc2c(cccc2OC)C1 13759796 HQGWTXXZVBZBPH-HNNXBMFYSA-N 261.409 3.675 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 6218573 LFCSVHYLPJGUCA-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB COc1cccc(CNC(=O)c2oc3ccccc3c2C)c1 6236573 PAISQACAFMPUBC-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 6250768 JTMVKNGQPFBSBJ-DAZFMJRUSA-N 275.436 3.707 0 40 CHAB COC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 5245688 OSHFQLSUZICPRA-UHFFFAOYSA-N 294.306 3.555 0 40 CHAB CCn1nc(NC(=O)CC(C)C)c2cc3ccccc3nc21 18167090 HJKSPCBPIZLYIY-UHFFFAOYSA-N 296.374 3.589 0 40 CHAB CCNCc1cccc(OC)c1OCc1ccc(F)cc1 6326213 FSZQAJRUAFRNHN-UHFFFAOYSA-N 289.350 3.523 0 40 CHAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cccc(C)c2)c1 14085689 WCGOKXAIRSVTGU-AWEZNQCLSA-N 297.354 3.604 0 40 CHAB C[C@H](NCC1(O)CCCCC1)c1cccc(Cl)c1 14113705 WJSWATFZAFNABR-LBPRGKRZSA-N 267.800 3.686 0 40 CHAB CCc1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 22528892 NMPOCBMZOZEOLZ-CYBMUJFWSA-N 299.370 3.664 0 40 CHAB COc1ccccc1OCC(=O)Nc1ccc(C(C)C)cc1 4699021 YUTAMRVAEUVLBO-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB Cc1cccc([C@@H](CN)c2c[nH]c3ccccc23)c1 20268106 MQKQRVXWZXKZBR-OAHLLOKOSA-N 250.345 3.567 0 40 CHAB COc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 6789017 MVIYLXSRBLJVFA-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB Cc1cccc(NC(=S)N(C)CCc2ccccn2)c1C 7528799 AJYQKVZGNHHEAB-UHFFFAOYSA-N 299.443 3.570 0 40 CHAB C[C@@H](c1cccs1)N(C)Cc1cccc2c1NCC2 97020272 YJUUBJXGIXOEJG-LBPRGKRZSA-N 272.417 3.909 0 40 CHAB Cc1noc(C)c1C[C@@H](C)N[C@@H](C)CSC(C)(C)C 95968227 PVRGDFXUYUSKPU-MNOVXSKESA-N 284.469 3.732 0 40 CHAB C[C@@H](NC(=O)CCC1CCCC1)c1ccc2c(c1)OCO2 32609797 YERIILRJSYSOIE-GFCCVEGCSA-N 289.375 3.563 0 40 CHAB Cc1ccc(F)cc1NC(=O)Cc1csc(C(C)C)n1 31674858 WALITLSXMVAUKX-UHFFFAOYSA-N 292.379 3.895 0 40 CHAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCN1C(C)C 72213393 KLGIBIMDMHAGNL-UKRRQHHQSA-N 261.413 3.837 0 40 CHAB O=C(O)c1cc(Cl)c2[nH]c(-c3ccccc3F)nc2c1 216921655 OTQOGAQDBLDBSD-UHFFFAOYSA-N 290.681 3.721 0 40 CHAB CNc1cc(C)c([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72219038 ZMQJGEHXEZQRGT-CYBMUJFWSA-N 291.395 3.504 0 40 CHAB CCOC(=O)/C=C/c1cccc(OC(C)C)c1Cl 72209086 ASUFJTJGIYMDOL-CMDGGOBGSA-N 268.740 3.704 0 40 CHAB CC(=O)Oc1cccc(C(=O)c2ccc(C(C)C)cc2)c1 43209866 CPHFJSJLSWYKEM-UHFFFAOYSA-N 282.339 3.966 0 40 CHAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(C)c1C 41091166 WGWYWLIHGQBJIZ-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Cc1ccc2cnn(CCC(=O)Nc3cccc(F)c3)c2c1 40758930 XLPCMZPRCYXOML-UHFFFAOYSA-N 297.333 3.513 0 40 CHAB CCCCCCn1c(SC)nc2ccccc2c1=O 40158912 HTWPRGWPLGITGR-UHFFFAOYSA-N 276.405 3.699 0 40 CHAB Cc1ccc(NCc2n[nH]c(-c3ccc(C)cc3)n2)cc1 40174487 BCQLSNHUFSDXIF-UHFFFAOYSA-N 278.359 3.701 0 40 CHAB O=C(c1cc(F)cc(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O 95634027 ICEBSQUWNPBYCO-NWDGAFQWSA-N 284.714 3.553 0 40 CHAB Fc1cc(Br)cc(OC(F)(F)Cl)c1 95215448 VKQWSIQYWUSOFY-UHFFFAOYSA-N 275.451 3.756 0 40 CHAB CC[C@@H](C)n1ccc(NCc2ccnn2[C@H](C)CC)n1 256053562 RYWQDMBBVZQAOP-CHWSQXEVSA-N 275.400 3.634 0 40 CHAB c1ccc([C@@H]2Cn3ccnc3CN2Cc2cccs2)cc1 257209580 BQYSERLCBBSRFZ-INIZCTEOSA-N 295.411 3.702 0 40 CHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1(c2ccccc2)CCCC1 260747074 ZVBDCHABXKVITK-ZOBUZTSGSA-N 283.415 3.803 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(C(C)C)cc1 575358670 YFRWPLHEOVHPTQ-UHFFFAOYSA-N 262.349 3.726 0 40 CHAB CCN[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 36819983 XCLOFVSSVHNWOB-KRWDZBQOSA-N 254.377 3.904 0 40 CHAB in-vitro c1ccc([C@H]2COC(c3nccc4ccccc34)=N2)cc1 1857791496 LKMVAWVJSQQHRM-MRXNPFEDSA-N 274.323 3.753 0 40 CHAB CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 486839 FQESQHFSYQBYRR-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB O[C@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1 4242391 FLUYWFRZYKPTTH-CYBMUJFWSA-N 254.663 3.700 0 40 CHAB CC(C)CNC(=O)COc1ccc(-c2ccccc2)cc1 5442610 UHKWGKINVRVZPF-UHFFFAOYSA-N 283.371 3.505 0 40 CHAB Cc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1C 11757380 RKUHUEDEADSXNZ-UHFFFAOYSA-N 286.356 3.686 0 40 CHAB C[C@]1(O)c2ccccc2[C@](C)(O)c2c1ccc1ccccc21 1676939 GJODVXBHWDFIDL-PMACEKPBSA-N 290.362 3.665 0 40 CHAB O=C(O)c1cc(C2CC2)nc2c(C(F)(F)F)cccc12 3756557 CWXIBRHSBWZCEL-UHFFFAOYSA-N 281.233 3.829 0 40 CHAB O=C(c1ccoc1)N1CCCC[C@H](c2ccc(F)cc2)C1 208001905 NMKNEZPGWRFCBM-AWEZNQCLSA-N 287.334 3.829 0 40 CHAB O=C(/C=C/c1ccc(Cl)s1)NOCc1ccccc1 31616016 UACZBFGWLKNMPZ-VQHVLOKHSA-N 293.775 3.663 0 40 CHAB Fc1ccc(C2=C[C@H](c3cccs3)n3ncnc3N2)cc1 100892707 KPFWPBKMFBLXBB-CYBMUJFWSA-N 298.346 3.535 0 40 CHAB CCCCN(C)C(=O)c1cc2c(C)cc(C)c(C)c2[nH]1 28993026 UYWPBLQQUNFRLP-UHFFFAOYSA-N 272.392 3.965 0 40 CHAB CC1(C)COC(CCCC(=O)c2ccc(F)c(F)c2)OC1 2518085 NFILZTPTSCTDQF-UHFFFAOYSA-N 298.329 3.717 0 40 CHAB Cc1cc(C)cc(C(=O)c2ccc(CN3CCC3)cc2)c1 2514625 IMTMUPDRCRWKHS-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB O=C(CC1CCCCC1)Nc1ccc(Cl)cn1 780040 JGKUMYSMRUBTNU-UHFFFAOYSA-N 252.745 3.644 0 40 CHAB CN(CC1CCCCC1)C(=O)c1cc2ccsc2[nH]1 29291733 NAMAYZPUORUBJH-UHFFFAOYSA-N 276.405 3.882 0 40 CHAB O[C@@H](c1ccccc1)[C@@H](CN1CCCCC1)c1ccccc1 1668861 ZJQDTSJAQWHKJT-PMACEKPBSA-N 295.426 3.990 0 40 CHAB Cc1ccc(C)c(Sc2ccc(Cl)nn2)c1 37022327 CICPZRMSJYGRGU-UHFFFAOYSA-N 250.754 3.898 0 40 CHAB CCOc1ccc(Nc2nc3ccccc3n2C)cc1 352075 IQRCQWAVMMRIDB-UHFFFAOYSA-N 267.332 3.716 0 40 CHAB COc1ccccc1CNc1ncnc2ccc(C)cc12 32540841 RODXLUKFJYGUPM-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4655064 BTTWKVFKBPAFDK-KYQPOWKGSA-N 290.447 3.671 0 40 CHAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1OC 6359367 CGNPATBKFNKFTD-UHFFFAOYSA-N 299.370 3.909 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Cl)[C@@H]1C 6523012 TZOGOBWTTOQLHL-JTNHKYCSSA-N 265.784 3.895 0 40 CHAB COc1ccc(Cl)cc1NC(=O)Cc1cccc(F)c1 2652740 UKBCWXIMFRIHIP-UHFFFAOYSA-N 293.725 3.669 0 40 CHAB Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 7468092 VIDYXGSEFGOTSO-UHFFFAOYSA-N 280.249 3.540 0 40 CHAB CCc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1 7785337 RYDXYADXWULFAN-UHFFFAOYSA-N 296.414 3.628 0 40 CHAB O=C([C@@H]1CC=CCC1)n1cccc/c1=N\C1CCCCC1 104943057 QIEOTBWCFJKKJA-QFPXGYFVSA-N 284.403 3.718 0 40 CHAB Fc1ccc(NC(=S)NC2CCCC2)cc1Cl 2642883 RDHGWOJXEBKKJI-UHFFFAOYSA-N 272.776 3.708 0 40 CHAB O=C(Nc1ccccn1)c1cc(-c2ccc(Cl)cc2)on1 11915702 KKHZDGRTVKXSLI-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CCN(CCC(=O)Nc1ccc(C)cc1)Cc1ccccc1 2784490 ZWWFSLRPBIEFMF-UHFFFAOYSA-N 296.414 3.846 0 40 CHAB FC(F)(F)c1cccc([C@H]2CNC3(CCCC3)CO2)c1 53068180 CKFGMBPAJAMQJI-CYBMUJFWSA-N 285.309 3.679 0 40 CHAB CC[C@H](NC1CC1)c1ccc(Br)cc1 22176983 BXXKISRNSWZPIZ-LBPRGKRZSA-N 254.171 3.652 0 40 CHAB Cc1ccc(CN(C)CC(=O)Nc2cc(C)ccc2C)cc1 9515748 GEBJJPAIIXXZHF-UHFFFAOYSA-N 296.414 3.682 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1cccnc1Cl 2763980 DODPJFJLRYYOPX-LLVKDONJSA-N 268.788 3.681 0 40 CHAB COc1ccc(Cl)cc1C(=O)N(C)c1ccc(F)cc1 55745064 KPZHUMWQILUINK-UHFFFAOYSA-N 293.725 3.764 0 40 CHAB C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccs1 8183667 RZNIUJUUYFZCHZ-QMMMGPOBSA-N 281.764 3.598 0 40 CHAB Cc1cc(C(C)(C)C)ccc1OCC1CCNCC1 42774935 VHPYICPHMWYUFU-UHFFFAOYSA-N 261.409 3.671 0 40 CHAB Cc1ccnc(NC(=O)c2nc(-c3ccccc3)oc2C)c1 24014253 BOCHMXAPXVQQLU-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB NC1CCC(Sc2ccc(Br)cc2)CC1 55143782 SOUCDDGAQUQPDJ-UHFFFAOYSA-N 286.238 3.811 0 40 CHAB CC1=CC(C)(C)Nc2c(C(=O)N3CCCCC3)cccc21 20800287 HMKXMJGRRPQWQD-UHFFFAOYSA-N 284.403 3.920 0 40 CHAB CCCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3234767 CPXTXFGDVGPSMJ-GOSISDBHSA-N 282.339 3.954 0 40 CHAB O=C(OCc1nc2ccccc2s1)c1ccccc1F 3276429 IHWNRIZSFOANAI-UHFFFAOYSA-N 287.315 3.792 0 40 CHAB Cc1ccnc(SCc2nc3ccccc3s2)n1 3263113 AQVMLMULKKDILB-UHFFFAOYSA-N 273.386 3.687 0 40 CHAB O=C(O)c1ccc(Oc2cccc(Br)c2)cc1 20080756 KYUINITWNQUXBN-UHFFFAOYSA-N 293.116 3.940 0 40 CHAB CCCNC(=S)N1CC=C(c2c[nH]c3ccccc23)CC1 11084765 XUEASYUZMVFBGN-UHFFFAOYSA-N 299.443 3.542 0 40 CHAB CC(C)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 12993248 HKYBCGNOGQAMQZ-MRXNPFEDSA-N 295.382 4.000 0 40 CHAB CCc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1 12945156 AMIWEODTAUQXJK-UHFFFAOYSA-N 291.354 3.687 0 40 CHAB CC(C)c1cc(NC(=O)c2cnc(C(C)(C)C)s2)[nH]n1 49044690 CXORRRATVZTEKP-UHFFFAOYSA-N 292.408 3.539 0 40 CHAB CC[C@H](NC(=O)c1cc(C)no1)c1ccc(Cl)cc1 21557662 ZDQDJKCXUKIVDK-LBPRGKRZSA-N 278.739 3.518 0 40 CHAB CC(C)(C)C1=N/C(=C/c2ccc(OC(F)F)cc2)C(=O)O1 82063126 VRHIZYGHCAYJQE-DHZHZOJOSA-N 295.285 3.630 0 40 CHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 20460776 PBTIAWOMIZWJCC-NRUITVPNSA-N 295.382 3.894 0 40 CHAB CN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F 14016828 UIVHGHDWMGNDDZ-UHFFFAOYSA-N 276.286 3.629 0 40 CHAB CCN(CCC(F)(F)F)C(=O)c1cc2ccccc2[nH]1 65522823 VKVSANQSERFAKU-UHFFFAOYSA-N 284.281 3.582 0 40 CHAB CCCCCCc1nnc(NC(=O)c2cccs2)s1 4700670 WGGGNFUNGMUQSG-UHFFFAOYSA-N 295.433 3.975 0 40 CHAB Fc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 4830024 TUADYQQAYKNZKQ-UHFFFAOYSA-N 288.347 3.873 0 40 CHAB C[C@H](Oc1ccccc1)c1nnc(S)n1-c1ccccc1 9095756 ISGSNPNONUXIMV-LBPRGKRZSA-N 297.383 3.696 0 40 CHAB CCCN(CCC)C(=O)c1c(C)nn(C(C)(C)C)c1C 71186388 NWISEZLCYBVWHF-UHFFFAOYSA-N 279.428 3.517 0 40 CHAB c1ccc2c3c([nH]c2c1)[C@@H](C1CCCCC1)NCC3 19688799 OUXYMBSSCUANTF-MRXNPFEDSA-N 254.377 3.935 0 40 CHAB Cc1cc(NCc2cccc(C(F)(F)F)c2)no1 83413813 KBVWNDYTSKGBDJ-UHFFFAOYSA-N 256.227 3.614 0 40 CHAB CCOC(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 19928496 QCUOJQGCBZVOAP-UHFFFAOYSA-N 255.273 3.605 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCCC[C@H]1c1nccs1 72272075 PTGUTCQEAUJJFZ-STQMWFEESA-N 276.405 3.553 0 40 CHAB CC[C@](C)(NCc1ccc(COC)o1)c1ccccc1 89942114 FFACNFSECRTZDK-KRWDZBQOSA-N 273.376 3.841 0 40 CHAB O=C(O)/C=C/c1ccc(Oc2ccc(Cl)cc2)o1 72228416 PBABTSQBFDAVGQ-FNORWQNLSA-N 264.664 3.823 0 40 CHAB CCc1ccsc1C(=O)Nc1nnc(C(C)(C)C)s1 48942207 ZDTSHQPRMCJGDW-UHFFFAOYSA-N 295.433 3.712 0 40 CHAB COC(C)(C)c1noc([C@@H]2C[C@@H]2c2ccccc2C)n1 85237855 VHYUZQQJXWAQAN-CHWSQXEVSA-N 272.348 3.531 0 40 CHAB O=Cc1c(Cl)nc2ccccc2c1N1CCCCC1 223177982 VMKZVLRUZHOLSE-UHFFFAOYSA-N 274.751 3.691 0 40 CHAB CCc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1 199425286 JDJRCYJUXDFWCM-UHFFFAOYSA-N 296.458 3.813 0 40 CHAB CCCCn1c2nc(S)nnc2c2cccc(CC)c21 96319333 YSHHGDKNAOTMNY-UHFFFAOYSA-N 286.404 3.631 0 40 CHAB CCN(CC)c1nc(-c2ccc(C)c(N)c2)cs1 95097229 RXGZODCPBHKSNU-UHFFFAOYSA-N 261.394 3.547 0 40 CHAB Cc1ccc(-c2nc(-c3c(C)noc3C)no2)c2c1CCC2 333039909 AFOOKUJQBYGYBY-UHFFFAOYSA-N 295.342 3.806 0 40 CHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N2CCCCC2)cc1 250251521 NXDATLGEJONUCM-ZVZYQTTQSA-N 298.430 3.595 0 40 CHAB Cc1cc(NCc2cc(F)ccc2F)nn1CC(C)C 256050202 DDJFTKSHPVIGDG-UHFFFAOYSA-N 279.334 3.738 0 40 CHAB CCOc1cc(C(F)F)cc(Br)c1OC 685936104 FIPIDEHQOVQVQK-UHFFFAOYSA-N 281.096 3.794 0 40 CHAB CC(C)(C)OC(=O)N1CCCC2(CCCCNC2)CCC1 91303198 VMTBDFCOONFJBI-UHFFFAOYSA-N 296.455 3.557 0 40 CHAB Cc1ccc(CNCCCSC(F)(F)F)cc1 95918344 VBFSCEMIMFAWOG-UHFFFAOYSA-N 263.328 3.728 0 40 CHAB O=C(Nc1ccc(SC(F)F)cc1)c1cccnc1 1517765 CVGBERCTUQEDBX-UHFFFAOYSA-N 280.299 3.649 0 40 CHAB Cc1cccnc1NC(=O)C[C@@H](C)c1ccccc1 12536705 FORHPKCUNJEKKV-CYBMUJFWSA-N 254.333 3.522 0 40 CHAB O=C(c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 13731513 QQJOPKBZXNOJRJ-UHFFFAOYSA-N 297.373 3.921 0 40 CHAB COc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1 216628420 PWQPNXYIJCAUCL-UHFFFAOYSA-N 256.330 3.814 0 40 CHAB CCCC[C@@H](CC)C(=O)c1ccccc1C(=O)OC 575362545 XDOCZBCIWFBNIC-GFCCVEGCSA-N 262.349 3.872 0 40 CHAB C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)O 2020263 BSFAVVHPEZCASB-SNVBAGLBSA-N 292.718 3.984 0 40 CHAB C[C@@H](O)c1nc2ccccc2n1[C@H](C)c1ccccc1 99421 KXJMPGXUOJCYDN-CHWSQXEVSA-N 266.344 3.699 0 40 CHAB COc1ccccc1NCC(=O)c1ccc(C)c(C)c1 191457 UDKPYDJRHUBNCH-UHFFFAOYSA-N 269.344 3.607 0 40 CHAB Cc1ccc(-c2noc(CNc3cccc(C)c3)n2)cc1 203384 WTZVDNYRTSONLI-UHFFFAOYSA-N 279.343 3.966 0 40 CHAB O=C(CCc1cccc(F)c1)c1ccc(F)cc1F 2517359 BQTPRXYXSYDSSN-UHFFFAOYSA-N 264.246 3.919 0 40 CHAB Cc1ccc(SCc2ccc(C(=O)O)cc2)cc1 581578 RNXLFHYARAUOQF-UHFFFAOYSA-N 258.342 3.986 0 40 CHAB O=C(O)c1ccc(OCCSc2ccccc2)cc1 11861415 TVGPIFMJUMDRQP-UHFFFAOYSA-N 274.341 3.556 0 40 CHAB CCCCN(CCCC)[C@@H]1CCC[C@@H](OC(=O)NC)C1 1714562 NTJFHLLKGBXEJW-HUUCEWRRSA-N 284.444 3.556 0 40 CHAB CCCC[C@H](CC)C(=O)Oc1ccccc1OC 2065817 JXFHZQSEECYEOP-LBPRGKRZSA-N 250.338 3.817 0 40 CHAB CCOC(=O)c1ccc(Cl)c(NC(=O)C(CC)CC)c1 365477 MXVQEQHZBXDFQL-UHFFFAOYSA-N 297.782 3.891 0 40 CHAB CN(C)CCC(=O)[C@H](Cc1ccccc1)c1ccccc1 346304 CKBPBVOQBKBRML-GOSISDBHSA-N 281.399 3.534 0 40 CHAB O=C1O[C@H](c2ccc(F)cc2)Sc2ccccc21 480497 TVFJQVVHUNHGJS-AWEZNQCLSA-N 260.289 3.787 0 40 CHAB CCC[C@H](C)C(=O)Nc1ccccc1S[C@H](C)C(=O)O 8732901 ARWICHUXJIMQGT-WDEREUQCSA-N 295.404 3.627 0 40 CHAB FC(F)(F)[C@@H](CN1CCCCC1)OC1CCCCC1 1392942 FSHIPIWVYHEIGI-CYBMUJFWSA-N 279.346 3.753 0 40 CHAB Cc1c(Cl)cccc1NC(=O)COc1ccc(F)cc1 1450858 RSESIMHZXFZZMR-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB Brc1ccc(SC[C@@H]2CCCCN2)cc1 26291409 BHNBREVDQYPEDB-NSHDSACASA-N 286.238 3.683 0 40 CHAB Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 20343438 MIEAJDKYIXEYFB-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 36416374 CNHIKPNLBUBMQU-GIPNMCIBSA-N 251.757 3.515 0 40 CHAB CSc1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1 48325836 IUEXZODXSSRJSI-UHFFFAOYSA-N 299.317 3.637 0 40 CHAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 8346042 VRDYNWFHCANMEP-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB Cc1cc(C)cc(NC(=S)Nc2ccc3cn[nH]c3c2)c1 8686173 DNCVBYPYNLUDBK-UHFFFAOYSA-N 296.399 3.989 0 40 CHAB Cc1cnc(C(=O)Oc2ccc(-c3ccccc3)cc2)cn1 6271947 KQRRTTBBKVEEJT-UHFFFAOYSA-N 290.322 3.671 0 40 CHAB Cc1ccc(-c2cc(NC(=O)/C=C/c3ccco3)on2)cc1 5485698 RAWHXKWPEHFJRQ-CMDGGOBGSA-N 294.310 3.895 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c1 5558607 WYCSFPBETDWQSD-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB Cc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1 6812655 DAKNLYLTGOGIAY-UHFFFAOYSA-N 271.345 3.557 0 40 CHAB Cc1cnc(NC(=O)c2ccccc2C(F)(F)F)s1 7006970 LABIZARWGFOOKF-UHFFFAOYSA-N 286.278 3.723 0 40 CHAB CSc1ccc([C@@H](C)N[C@H](C)c2cnn(C)c2)cc1F 97017103 LKPGHFLGVDDJQP-GHMZBOCLSA-N 293.411 3.693 0 40 CHAB CC(C)CN(CC(C)C)C(=O)NCCc1cccs1 84511045 STEARSGUHIRWCN-UHFFFAOYSA-N 282.453 3.614 0 40 CHAB COc1ccc(CCCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 75284433 IXYZJCUDPAWHPW-YOEHRIQHSA-N 289.419 3.713 0 40 CHAB CC(C)c1ccccc1C(=O)c1ccccc1C(=O)O 34441855 KWZZYUSMYABTIB-UHFFFAOYSA-N 268.312 3.739 0 40 CHAB CCCN1CCC[C@@H]1c1cnc(N2CCCCC2)cc1C 72219221 GEUJUBKFIPNFNI-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB CC(C)c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1 40288394 NJFHVXMZQOXFAH-UHFFFAOYSA-N 279.343 3.939 0 40 CHAB C[C@H](SC[C@H](O)C(F)(F)F)c1nc2ccccc2o1 191154433 XPAVJPONPDMEMV-XVKPBYJWSA-N 291.294 3.545 0 40 CHAB Fc1cc(OCC(F)(F)F)ccc1Br 83576946 QGHIFKJADBMTDZ-UHFFFAOYSA-N 273.023 3.529 0 40 CHAB CCOc1ccc(C(=O)N(C)c2ccccc2)cc1C 224568820 JAMYSUZTLOAGEK-UHFFFAOYSA-N 269.344 3.670 0 40 CHAB Fc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1 90411496 RGNUXDBSZREMQC-UHFFFAOYSA-N 257.186 3.786 0 40 CHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 251982925 GIXJWQWFZRJSRT-LZFXSBDOSA-N 281.446 3.625 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)NCc2ccc(Cl)s2)o1 48062416 KQYRUMCQPTVIHH-SECBINFHSA-N 298.795 3.863 0 40 CHAB Cc1ccccc1NCc1nc(-c2cccs2)no1 48340135 GYEHJRCONWGLDL-UHFFFAOYSA-N 271.345 3.719 0 40 CHAB CCCN(C)C(=O)Nc1ccc(C)cc1Br 58414206 VMUUWYMXILSALW-UHFFFAOYSA-N 285.185 3.631 0 40 CHAB O=C(Nc1ccc(Br)cc1)NC1CCCCC1 396597 ZHTGCMQYLMXTID-UHFFFAOYSA-N 297.196 3.903 0 40 CHAB CC(C)C[C@@H](N)C1(c2ccc(F)c(F)c2)CCC1 1772714936 HHGLPBYHLDSGPW-CQSZACIVSA-N 253.336 3.760 0 40 CHAB CC(=O)c1nc2ccccc2n1[C@@H](C)C(=O)c1ccccc1 5503399 OTGBIUVFSAERSI-LBPRGKRZSA-N 292.338 3.683 0 40 CHAB O=C(Nc1ccc2c(c1)CCO2)c1cccc(Cl)c1 12986098 SKRZPOFECXFWML-UHFFFAOYSA-N 273.719 3.527 0 40 CHAB CCC(C)(C)NCc1ccccc1Br 19880326 REPNKQPNEGDVII-UHFFFAOYSA-N 256.187 3.727 0 40 CHAB CCC(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 8736290 QBZSVCQNZKVENI-UHFFFAOYSA-N 296.326 3.702 0 40 CHAB Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3 34896680 QQDXGEMPVMCBOD-UHFFFAOYSA-N 280.346 3.865 0 40 CHAB CCOC(=O)c1ccc(-c2ccc(Br)cc2)o1 501565 PRFXBTFBBAZVRC-UHFFFAOYSA-N 295.132 3.886 0 40 CHAB Cc1ccc(-c2csc(NC(=O)C(C)C)n2)cc1 142478 BORMPNIUBZMNSA-UHFFFAOYSA-N 260.362 3.713 0 40 CHAB COc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 171472 CJFZUYNQOIUFLL-UHFFFAOYSA-N 290.750 3.670 0 40 CHAB COc1ccc(-c2cc(C(F)F)c3cnn(C)c3n2)cc1 20603026 CVIGAISQKFJKGM-UHFFFAOYSA-N 289.285 3.582 0 40 CHAB C[C@@H](c1ccccc1)c1ccccc1OCCN(C)C 1586332 PATHRCHITDYBRX-HNNXBMFYSA-N 269.388 3.779 0 40 CHAB CCC1(CC)COC(c2ccc(OC)cc2)OC1 1652127 LMYDJJSTRHCFQY-UHFFFAOYSA-N 250.338 3.547 0 40 CHAB COc1ccc2c3c(ccc2c1)[C@@H]1CC(=O)C[C@@H]1CC3 1701624 HBBSTQBIUPTJSZ-BBATYDOGSA-N 266.340 3.857 0 40 CHAB CSc1ncc(-c2nc3cc(Cl)ccc3o2)cn1 3045341 HOWYIAYKMLXXKV-UHFFFAOYSA-N 277.736 3.660 0 40 CHAB CCN(CC)CCC[C@@H](C)N1C[C@H]2CCCC[C@@H]2C1 4802677 BYMCWUJUHHZIBS-BRWVUGGUSA-N 266.473 3.619 0 40 CHAB CCOc1cc(C(=O)Nc2cccc(C)c2)ccc1OC 6155476 PASAELUCNIDQQF-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB CCC[C@@H](C)NC(=O)c1ccccc1SCC 6779192 DENQMFHUTFLDFG-LLVKDONJSA-N 251.395 3.717 0 40 CHAB Cc1nc2cc(NC(=O)[C@@H](C)Oc3ccccc3)ccc2o1 21704348 WDUFMVHCLHPFFX-LLVKDONJSA-N 296.326 3.542 0 40 CHAB Cc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)no1 22256789 OGULYUKSQRBKNV-NSHDSACASA-N 288.372 3.514 0 40 CHAB Cc1cc(OCC[C@H]2CCCNC2)ccc1Br 42770605 XDOCNISWKMYWKZ-GFCCVEGCSA-N 298.224 3.526 0 40 CHAB CC/C=C(\C)C(=O)Nc1cccc(NC(=O)CC)c1C 47667611 GWCYEQVGXWDRGL-DHZHZOJOSA-N 274.364 3.638 0 40 CHAB O=c1scc(-c2ccc(C(F)(F)F)cc2)s1 1743799 WUXDPZAJFKQZBO-UHFFFAOYSA-N 262.277 3.856 0 40 CHAB Cc1cc2nc(NC3CCCC3)c3ccccc3n2n1 7777088 OVRJGOTVNWREBU-UHFFFAOYSA-N 266.348 3.545 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=S)NC1CCCCC1 3254886 JHQGHWCYOZXJOD-LBPRGKRZSA-N 274.433 3.645 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc2ccccc12 3386290 JNLQFKLCNNXMJB-PBHICJAKSA-N 297.398 3.914 0 40 CHAB Cc1cc(C)c(NC(=O)Cc2ccccc2F)c(C)c1 3547899 JTSIXODJPHKEIR-UHFFFAOYSA-N 271.335 3.932 0 40 CHAB Cc1cccc(Cl)c1OCCCc1c(C)n[nH]c1C 3667868 JGSOAUWIOXTGHY-UHFFFAOYSA-N 278.783 4.000 0 40 CHAB CC1(C)CC[C@H](NC(=O)c2ccoc2)c2ccccc21 49519215 CCOLODUOSYWWFZ-HNNXBMFYSA-N 269.344 3.822 0 40 CHAB CCN(Cc1ccoc1)C(=O)N[C@H](C)c1ccc(F)cc1 65535835 CTOLOJBULSITAA-GFCCVEGCSA-N 290.338 3.711 0 40 CHAB Cc1ccc(CC(=O)Nc2cc(F)ccc2F)cc1C 5676770 SUNCENQNCRQYCN-UHFFFAOYSA-N 275.298 3.763 0 40 CHAB O=C1C[C@@H](c2ccccc2)Cc2[nH]c(-c3ccccc3)nc21 20674260 YSRDWXJJLXBGRB-HNNXBMFYSA-N 288.350 3.989 0 40 CHAB Clc1ccc2c(Sc3ncccn3)ccnc2c1 5800810 SVBKXXXQBOGHMZ-UHFFFAOYSA-N 273.748 3.829 0 40 CHAB CCCn1c(CN2CCCCCC2)nc2ccccc21 4911000 BFGZFJZVJCLTBH-UHFFFAOYSA-N 271.408 3.822 0 40 CHAB Cc1cc(=S)c2cc(Br)ccc2[nH]1 19701982 DYQVZEHXIGKYHT-UHFFFAOYSA-N 254.152 3.968 0 40 CHAB CC(C)C(=O)Nc1ccc(OC(=O)C(C)C)c2ccccc12 98179751 DRRZVYQAUIFWOU-UHFFFAOYSA-N 299.370 3.996 0 40 CHAB C[C@H](NC(=O)c1ccc[nH]c1=S)c1ccc(Cl)cc1 9995959 RKTNDGUNVZWDGZ-VIFPVBQESA-N 292.791 3.889 0 40 CHAB O=C(c1nc2ccccc2[nH]1)[C@H]1C[C@@H]1c1ccc(F)cc1 9913630 XLMQVSNYCUHXNE-OLZOCXBDSA-N 280.302 3.688 0 40 CHAB CCCCN1CCC[C@H]1CCCNCc1ccccc1 218329930 YUMBEQTZFVWICQ-GOSISDBHSA-N 274.452 3.821 0 40 CHAB Cc1nc(Sc2ncnc3c(C)csc23)oc1C 530421798 SBPHCYJEYUNCRI-UHFFFAOYSA-N 277.374 3.756 0 40 CHAB COc1c(Cl)cc(C(C)C)cc1C(=O)N1CCCC1 72206544 FGDMJWHCDXPGFZ-UHFFFAOYSA-N 281.783 3.708 0 40 CHAB O=C1C[C@H](C(=O)Nc2ccccc2Cl)c2ccccc21 38671285 SUEAAYJXUVSFGU-LBPRGKRZSA-N 285.730 3.649 0 40 CHAB COc1ccc2c(C(=O)O)cccc2c1C(F)(F)F 39424894 AEBBCDMWPOXGSG-UHFFFAOYSA-N 270.206 3.565 0 40 CHAB Fc1ccc2oc([C@H]3CCN(Cc4ccccc4)C3)nc2c1 35446896 FZZQCFMWHACITQ-AWEZNQCLSA-N 296.345 3.956 0 40 CHAB biogenic,in-vitro CCCCc1nn(-c2cccc(F)c2)c(Cl)c1C=O 71976528 MSYPENJNZIGQJI-UHFFFAOYSA-N 280.730 3.820 0 40 CHAB Cc1ccc(NC(=O)CCC(F)(F)F)c(Cl)c1 173032973 KLWCGWCECJDIMH-UHFFFAOYSA-N 265.662 3.929 0 40 CHAB COc1ccc(CC(=O)NC2CCCCCCC2)cc1C 223372180 GFEGMNLHDWUZTH-UHFFFAOYSA-N 289.419 3.775 0 40 CHAB Cc1cc(C)c(C(=O)Nc2ccc3c(c2)OCO3)cc1C 225640767 RQTQKOWAAAWCCO-UHFFFAOYSA-N 283.327 3.593 0 40 CHAB Cc1ccccc1C(=O)NCc1ccc(-c2ccco2)nc1 225750794 RNEULVGRBJPVQJ-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB CCOC(=O)c1cc(C)c(OCC(C)C)c(C)c1 95095326 NDFHXRCPSKJSEH-UHFFFAOYSA-N 250.338 3.515 0 40 CHAB Cc1nn(CC(C)C)cc1NCc1ccc(F)s1 256051373 IXABCICXYKDRQA-UHFFFAOYSA-N 267.373 3.660 0 40 CHAB CC(C)(C)NC(=O)NCc1ccc(Cl)c(Cl)c1 1739059 GFOLWMLSJRDYSX-UHFFFAOYSA-N 275.179 3.591 0 40 CHAB CCC[C@H](C)NC(=O)COc1ccccc1C(C)(C)C 8041562 YFCJDMQDBRQJFA-ZDUSSCGKSA-N 277.408 3.668 0 40 CHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccccc1 8320469 YTCSQXIPAGPEMR-CQSZACIVSA-N 286.400 3.524 0 40 CHAB O=C(O)c1ccc(-c2nc3ccccc3s2)cc1 618989 PZLVNQBPCDMJFR-UHFFFAOYSA-N 255.298 3.662 0 40 CHAB O=C1O[C@H](Nc2ccc(Cl)cc2)c2ccccc21 91675 CAGRFJFQLHWMKL-ZDUSSCGKSA-N 259.692 3.621 0 40 CHAB O=C1CCCN1c1ccccc1NCc1ccccc1F 20147444 JURZIHDDOKIHMC-UHFFFAOYSA-N 284.334 3.565 0 40 CHAB Fc1ccc(CNC(=S)Nc2ccc(F)cc2F)cc1 69390 JHFOBTYDNBHSMO-UHFFFAOYSA-N 296.317 3.591 0 40 CHAB CC(=O)Nc1ccc2c(c1)Cc1c(F)c(F)c(F)c(F)c1-2 1609843 OLCDYKLNQQDYCB-UHFFFAOYSA-N 295.235 3.773 0 40 CHAB Cc1ccc(N(C)C(=O)c2ccc(Cl)nc2Cl)cc1 60352111 PPZRHVLVWSGEKD-UHFFFAOYSA-N 295.169 3.973 0 40 CHAB CCOc1ccccc1NC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 4307284 AIWJTJUBCUJDJF-SCRDCRAPSA-N 290.432 3.560 0 40 CHAB C[C@]12CC[C@H]3c4ccc(O)cc4C=C[C@@H]3[C@@H]1CCC2=O 4370101 WTRRIQCGCGCMQA-OVWQWFNUSA-N 268.356 3.898 0 40 CHAB Cc1ccc(NC(=O)CCn2ccc3ccccc32)c(O)c1 8139769 NYFGFVFMPKQOBI-UHFFFAOYSA-N 294.354 3.684 0 40 CHAB O[C@@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 4934843 KHKONORVTCGPCB-ZQIUZPCESA-N 293.838 3.886 0 40 CHAB COc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1 7383000 VLSICRAJAGTCAY-UHFFFAOYSA-N 296.370 3.548 0 40 CHAB COc1ccc(C(C)=O)cc1CN1c2ccccc2C[C@H]1C 8119042 AGASBICVYNMDDF-CYBMUJFWSA-N 295.382 3.849 0 40 CHAB Clc1ccc(Nc2nnc(-c3ccccc3)[nH]2)cc1 8903506 YZTRMRFFMRIARV-UHFFFAOYSA-N 270.723 3.869 0 40 CHAB Fc1ccc(-c2noc(-c3ccnc(Cl)c3)n2)cc1 22120494 QVELEAOPNGYSLN-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB Cc1occc1C(=O)N1CCC[C@H]1c1ccccc1 42010483 XGHZZLZABLDHKN-HNNXBMFYSA-N 255.317 3.565 0 40 CHAB CCCCCCNC(=O)NCCc1c[nH]c2ccccc12 22879445 KMNBYBCHMLIBSE-UHFFFAOYSA-N 287.407 3.590 0 40 CHAB O=C1c2ccccc2[C@@]2(Br)[C@@H]3CC[C@H](C3)[C@H]12 101038043 DTGPQHLJVNVICK-MGGABWITSA-N 277.161 3.519 0 40 CHAB Cc1cccc2c1Oc1nc3ccccc3nc1O2 984200 LJTXYPKCBJQSHY-UHFFFAOYSA-N 250.257 3.836 0 40 CHAB COc1ccc(-c2cc(Cl)nc(C(C)C)n2)cc1 58043953 ZWKCVTZTDIZOTI-UHFFFAOYSA-N 262.740 3.929 0 40 CHAB Cc1[nH]c2ccc(C(=O)N[C@H](C)c3ccccn3)cc2c1C 12527904 DJDNHNPJRJRFNC-CYBMUJFWSA-N 293.370 3.671 0 40 CHAB CC(=O)c1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106540315 QYANVCXWSKGWEC-IHRRRGAJSA-N 271.360 3.654 0 40 CHAB Cc1cc(C)c2oc(-c3ccccc3C(=O)O)cc(=O)c2c1 1788341 VHPPWHOLBHVFAP-UHFFFAOYSA-N 294.306 3.775 0 40 CHAB biogenic,in-vitro CC[C@H](Oc1ccccc1C)C(=O)NC1CCCCCC1 20037201 GNSIQBWLZCXNOM-INIZCTEOSA-N 289.419 3.991 0 40 CHAB O=C(c1ccc(Cl)cc1)c1cc(F)cc(F)c1 2378494 WNZQWKGLJKSJDI-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CCCc1ccc(NC(=O)c2ccc[nH]c2=S)cc1 12756058 GPXJMFOIUSLOEX-UHFFFAOYSA-N 272.373 3.949 0 40 CHAB Nc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 4025542 RZLBDSZGWZXMIB-UHFFFAOYSA-N 269.373 3.524 0 40 CHAB O=C(COc1ccccc1-c1ccccc1)NC1CCCC1 6128636 OJUFZZKQYLNQEE-UHFFFAOYSA-N 295.382 3.791 0 40 CHAB COc1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1 5267282 RBMMMJXKMBWIQS-UHFFFAOYSA-N 284.290 3.568 0 40 CHAB CN(C(=O)c1cc2cc(F)ccc2[nH]1)C1CCCCC1 5389241 IDZMAFIQEZMISI-UHFFFAOYSA-N 274.339 3.712 0 40 CHAB Cc1ccc(C2=NCC(=O)Nc3c2oc2ccccc32)cc1 4602498 HMQTWYQCWIUALH-UHFFFAOYSA-N 290.322 3.531 0 40 CHAB Cc1ccc2nc(C)c(CN3CCC[C@H](C)C3)c(O)c2c1 8700916 ZPVMQCJVXWHUDI-ZDUSSCGKSA-N 284.403 3.789 0 40 CHAB CC(=O)c1ccc(OC(=O)Cc2ccc3c(c2)CCC3)cc1 7401324 VONUKVROWZWAPJ-UHFFFAOYSA-N 294.350 3.526 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3ccoc3)cc2)cs1 16236873 OEBOTPXFPHRSLE-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB CCOc1ccc(C(=O)c2ccnc3ccccc23)cc1 83299435 OVGYBQWHGHLSBI-UHFFFAOYSA-N 277.323 3.865 0 40 CHAB CCCCC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12 9361248 NFCOKBAQVDTCGN-UHFFFAOYSA-N 296.374 3.559 0 40 CHAB Cc1ccc(NCC2(C)CCCCCC2)cc1C(N)=O 97054847 QKLMMQKQHVPQJF-UHFFFAOYSA-N 274.408 3.866 0 40 CHAB COc1cc(F)ccc1NC(=O)c1cccc(Cl)c1 25309676 SAVCUDQHWBYGDN-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB Fc1ccc(Cl)cc1-c1nn2c(C3CC3)nnc2s1 32094280 ONBOBCUINOWGIZ-UHFFFAOYSA-N 294.742 3.523 0 40 CHAB Cc1cc2c(cc1Br)C(C)(C)CCN2 38954911 PITLFZDGVQKFGH-UHFFFAOYSA-N 254.171 3.851 0 40 CHAB O=C(CCc1ccsc1)Nc1ccnn1C1CCCC1 39975968 XTBSELOZPUMNBF-UHFFFAOYSA-N 289.404 3.631 0 40 CHAB O=C(c1ccc(Br)cc1)c1cc(F)ccc1F 34976483 PZRGFXVQGYSHBH-UHFFFAOYSA-N 297.098 3.958 0 40 CHAB CCN(CC)C(=O)NC(=S)c1cccc2ccccc12 408730753 HPDYUXKHMPGEBJ-UHFFFAOYSA-N 286.400 3.567 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCCCCC1 44843463 XNNOUSPTPKGSHE-MRXNPFEDSA-N 293.382 3.822 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2cc(C)c(C)cc2C)c1 225648078 SYEQSBAQKHRBND-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB NCCCNc1ccnc2ccc(Oc3ccccc3)cc12 222681827 WPLUKJNGDDLBDC-UHFFFAOYSA-N 293.370 3.788 0 40 CHAB CCO[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111024 ZRYAGZLOOADYCH-INIZCTEOSA-N 286.327 3.511 0 40 CHAB COc1ccc(NC(=S)NC2(C(C)C)CCCC2)cc1 225847396 OYPKDVMKTZBXIX-UHFFFAOYSA-N 292.448 3.950 0 40 CHAB Cc1cccnc1NC(=S)N[C@H]1CCCc2ccccc21 225462564 ZFPLEFCBWYDBOE-HNNXBMFYSA-N 297.427 3.754 0 40 CHAB CS[C@@H](C)c1nc(-c2ccc(Br)o2)no1 98016369 LPMAVJQJZKGPMV-YFKPBYRVSA-N 289.154 3.516 0 40 CHAB Cc1nc(CNCc2cccc3ccccc23)oc1C 52061552 ACUOTGYLDZHXFS-UHFFFAOYSA-N 266.344 3.734 0 40 CHAB c1cnc2ccc(CN3CCCC[C@H]3c3ccn[nH]3)cc2c1 257262185 LKLVBKOEFXKMHG-SFHVURJKSA-N 292.386 3.685 0 40 CHAB COc1cc(C)c(C(=O)C(Cl)(Cl)Cl)cc1C 382676348 SUVODMONOSYDKM-UHFFFAOYSA-N 281.566 3.865 0 40 CHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)[C@@H]1CC=CCC1 575415593 FDJYYFCEVYDJSV-UONOGXRCSA-N 283.371 3.836 0 40 CHAB FC(F)(F)c1cnc(C2(C(F)(F)F)N=N2)c(Cl)c1 1504245164 WDAPYATZYLMWRS-UHFFFAOYSA-N 289.566 3.935 0 40 CHAB O=c1oc(-c2cccs2)nc2cccc(Cl)c12 167198 ZVGYETWUUSAAKV-UHFFFAOYSA-N 263.705 3.570 0 40 CHAB Cc1cc(=O)c2c3c(ccc2[nH]1)Oc1ccccc1O3 5503879 QSTDEPCUTCXUSJ-UHFFFAOYSA-N 265.268 3.735 0 40 CHAB CC(=O)O[C@@H]1C[C@@]2(C)CC[C@@H](C(C)C)[C@]23CC[C@@]1(C)O3 5731862 CPOIBZCPCUMJTQ-MZBWOGCUSA-N 280.408 3.702 0 40 CHAB COc1ccc(-c2cc([C@H]3CCCCCN3)on2)cc1 12133670 ISCDBWHLZWAWPF-CQSZACIVSA-N 272.348 3.555 0 40 CHAB CCOc1ccccc1CCCNC(=O)c1ccc(C)cc1 13674814 CSFWEDSLBKBNKR-UHFFFAOYSA-N 297.398 3.756 0 40 CHAB COc1cccc(-n2c(S)nnc2-c2ccc(C)cc2)c1 13992556 PMGBTLKZKDGODT-UHFFFAOYSA-N 297.383 3.540 0 40 CHAB C[C@H](CC(=O)O)CC(=O)c1cc(Cl)cc(Cl)c1 15441746 FZLJPGFAMGSLCW-ZETCQYMHSA-N 275.131 3.677 0 40 CHAB CC[C@H](C)Cn1c(CN2CCCC2)nc2ccccc21 15922133 WAGHTVDCPIAPRI-AWEZNQCLSA-N 271.408 3.678 0 40 CHAB Cc1cc([C@H]2CCCCCN2Cc2cccc(C)n2)on1 19236253 VVLSVDXCHOUFTC-MRXNPFEDSA-N 285.391 3.804 0 40 CHAB Cn1cc([C@H]2CCCCCN2Cc2ccc(F)cc2)cn1 19290611 BGTJHTQBINLWMA-QGZVFWFLSA-N 287.382 3.677 0 40 CHAB C[C@H](Cc1ccccc1)NC/C=C\c1ccccc1 207682776 NMMSKGCUFGCREC-LPDYGMJQSA-N 251.373 3.921 0 40 CHAB O=C(/N=c1\oc(-c2ccccc2)cs1)c1ccc(F)cc1 5604577 FSEKKEGMTNDKDK-FBMGVBCBSA-N 299.326 3.888 0 40 CHAB O=C1c2ccccc2C[C@@]12O[C@@H]2c1ccc(Cl)cc1 163796 UKNPEXALSJHZHE-HZPDHXFCSA-N 270.715 3.589 0 40 CHAB O=C1C[C@H](c2ccc(F)cc2F)c2sccc2N1 12428522 VBNMRLWUWZAZBO-SECBINFHSA-N 265.284 3.500 0 40 CHAB CCc1ncnc(N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c1F 1775976784 PWVHVUQWXLJLOJ-KBPBESRZSA-N 287.382 3.646 0 40 CHAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1ccncc1 20018043 PHBLAQQQHFNEKX-INIZCTEOSA-N 294.379 3.663 0 40 CHAB CCOc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1 60358 JLECVQFDYUGISI-SFHVURJKSA-N 292.382 3.802 0 40 CHAB biogenic,in-vitro Cc1ccc(NC(=O)c2ccc(CSC(F)F)o2)nc1 30556774 XCNPSNFKTBBKJB-UHFFFAOYSA-N 298.314 3.691 0 40 CHAB CC(C)NCc1cc(-c2cccc(C(F)(F)F)c2)n[nH]1 50479188 ZOHVMVSTZTUVJT-UHFFFAOYSA-N 283.297 3.594 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100631100 HLLMKAGHNZRMKS-IXYNUQLISA-N 289.444 3.780 0 40 CHAB O[C@H](CN1CC=C(c2ccccc2)CC1)c1cccc(F)c1 51112461 LIBWANYWGXZZGO-LJQANCHMSA-N 297.373 3.648 0 40 CHAB c1ccc2sc(COCc3cn4ccccc4n3)nc2c1 564587 OCAAFQXOIYINTO-UHFFFAOYSA-N 295.367 3.661 0 40 CHAB O=C(O)COc1c(Cl)cc(Cl)c2ccccc12 1628213 CVODGKYLCCQHCT-UHFFFAOYSA-N 271.099 3.610 0 40 CHAB COC(=O)c1ccc(C)cc1-c1cc(C)ccc1C(=O)OC 1689993 ONQHNQODNMCQQI-UHFFFAOYSA-N 298.338 3.544 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1ccccc1Br 304629 GHICBJOTUGCOGP-LLVKDONJSA-N 296.208 3.854 0 40 CHAB Cc1ccccc1S(=O)(=O)Nc1ccc2ccccc2c1 363554 JAHLYNVHEIMBNF-UHFFFAOYSA-N 297.379 3.949 0 40 CHAB CCc1ccccc1NC(=O)c1cc(OC)ccc1OC 7472445 LVRPZQSUXMPMTQ-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB O=C(NCC1CC1)N[C@@H](c1ccccc1)c1cccs1 32909478 BVMMUQRACAZSHD-HNNXBMFYSA-N 286.400 3.547 0 40 CHAB COc1ccc(CCCC(=O)c2ccc(OC)cc2)cc1 33605968 HCSVINSPTVVFOA-UHFFFAOYSA-N 284.355 3.909 0 40 CHAB c1ccc(-c2onc3ccc(C4OCCO4)cc23)cc1 3012430 FJLFPNLOFYIETF-UHFFFAOYSA-N 267.284 3.540 0 40 CHAB CC1(C)O[C@@H](c2ccccc2)[C@@H]2C[C@@H]1CC[C@]2(C)O 101554147 LEVCRGWPKKRIOU-JKQORVJESA-N 260.377 3.704 0 40 CHAB Cc1ccc(NC(=O)c2cc3c(Cl)cccc3[nH]2)nc1 24929494 FLRPPXDSSXBIFA-UHFFFAOYSA-N 285.734 3.777 0 40 CHAB O=C1OC(c2cccs2)=N/C1=C/c1ccc(Cl)cc1 3248308 AJJWFWPJTBEWIG-DHZHZOJOSA-N 289.743 3.746 0 40 CHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CC1 12625240 WMTBKSWOIKISNG-UHFFFAOYSA-N 285.318 3.644 0 40 CHAB CCN(CC)C(=O)C[C@H](C(C)C)[C@H]1CCOC(C)(C)C1 2149932 HEUJCGMLLZGMIQ-LSDHHAIUSA-N 283.456 3.722 0 40 CHAB biogenic CCn1c(C)c(C)c2cc(C(=O)Nc3cc(C)on3)ccc21 27981888 LKULDKKKKHGSMM-UHFFFAOYSA-N 297.358 3.827 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 3607872 WXKSNXKBRGGTDC-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB Cc1nc(SCCC(=O)Nc2ccc(F)cc2)oc1C 49493418 QVWBJAAUNGGHPV-UHFFFAOYSA-N 294.351 3.551 0 40 CHAB O=c1oc(/C=C/c2ccco2)nc2ccc(Cl)cc12 4118180 KGCSQQNABBKITH-GQCTYLIASA-N 273.675 3.605 0 40 CHAB O=C(NCCC1=CCCCC1)c1cccc2cc[nH]c12 5348419 SGXCGYIUDVGTNQ-UHFFFAOYSA-N 268.360 3.788 0 40 CHAB CC(C)(C)c1cc2c(=O)[nH]c([C@H]3CCCS3)nc2s1 98019090 ZYELGQCRUDOJPF-SECBINFHSA-N 294.445 3.850 0 40 CHAB CC(C)=CCC[C@H](C)NC[C@H]1CC(=O)Nc2ccccc21 95968956 NYDHJPKWLPNRSI-LSDHHAIUSA-N 286.419 3.837 0 40 CHAB Cc1cc(C(=O)Nc2cn[nH]c2)c(C)n1C1CCCCC1 79714326 FAXAUDPDWNITTQ-UHFFFAOYSA-N 286.379 3.586 0 40 CHAB Cc1nc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)cs1 9959209 CCSWMVAXTQFVTO-SCOAYWHSSA-N 298.411 3.828 0 40 CHAB CC(=O)OC1=C[C@@H](c2ccccc2)c2ccccc21 3848226 DIKACYWYLKODCW-INIZCTEOSA-N 250.297 3.736 0 40 CHAB biogenic CCCN(CCC)Cc1cc(=O)oc2cc3c(cc12)CCC3 5189546 LDGKVBGZRQRJBK-UHFFFAOYSA-N 299.414 3.904 0 40 CHAB biogenic CN1CCC(C)(C)c2cc(Br)ccc21 34398322 BOOIABRLBHYNSK-UHFFFAOYSA-N 254.171 3.567 0 40 CHAB CCCNc1ncccc1[C@@H]1CCCN1CC(C)C 72213137 DLTCATKIGLNMNP-HNNXBMFYSA-N 261.413 3.696 0 40 CHAB O=C(c1cccc(Cl)c1)c1ccc(F)cc1F 36940685 KHYYHYMHMRSWEW-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CCCCC(=O)Nc1cc(C)c(O)c(Br)c1 216738882 APHRKYZPXAZICL-UHFFFAOYSA-N 286.169 3.592 0 40 CHAB Cc1nc(S)ccc1[C@@H]1CCCCN1C(C)C 72218400 IVKXZLREVGYWDR-ZDUSSCGKSA-N 250.411 3.614 0 40 CHAB Nc1c(-c2ccc3ccccc3c2)nc2ccccn12 61965995 MFIIHWZLCUFDBM-UHFFFAOYSA-N 259.312 3.737 0 40 CHAB CC(C)N1CCC[C@H]1c1cccc(NCc2ccncc2)n1 72364981 VYIFJYDUAXLIML-KRWDZBQOSA-N 296.418 3.634 0 40 CHAB Cc1ccc(S[C@@H](Cc2ccccc2F)C(=O)O)cc1 225052652 LDUSJBYZBBYKSE-HNNXBMFYSA-N 290.359 3.922 0 40 CHAB COc1ccccc1[C@@H](O)c1ccccc1Br 43560665 VLZIIBHWZTVSLH-AWEZNQCLSA-N 293.160 3.539 0 40 CHAB CCCC[C@H](NNc1nc(C)cc(C)n1)c1ccccc1 98086607 APDRGNBQUNWWDB-INIZCTEOSA-N 284.407 3.941 0 40 CHAB CC(C)(C(=O)Nc1ccc(O)cc1F)c1ccccc1F 96004243 LOUFSHPHGSKECX-UHFFFAOYSA-N 291.297 3.587 0 40 CHAB CCOc1cc(CNC[C@H]2CCCO2)cc2ccccc12 96527850 VHWOKDMIJJWSFO-MRXNPFEDSA-N 285.387 3.507 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc3ccccc3nc2N)c1 252509793 YVWGASWZQHGQHQ-UHFFFAOYSA-N 291.354 3.686 0 40 CHAB Cn1c(=O)c(/C=C\c2cccc(Cl)c2)nc2ccccc21 96096349 OXTSQXAUEBYDDN-KTKRTIGZSA-N 296.757 3.757 0 40 CHAB CCOC(=O)c1[nH]c2ccc(CC)cc2c1C(F)F 575629253 NKIVVKZIFGHWOJ-UHFFFAOYSA-N 267.275 3.845 0 40 CHAB Cc1ccc2nc(-c3cccs3)cc(CO)c2c1 685937445 PVKQHYSPHXEVFE-UHFFFAOYSA-N 255.342 3.764 0 40 CHAB C[C@@H](OC(=O)c1ccn[nH]1)c1ccc(C(C)(C)C)cc1 49020428 JZFKPFNJTUYSBF-LLVKDONJSA-N 272.348 3.625 0 40 CHAB FC(F)(F)c1ccc(C(F)(F)F)c(CNC2CC2)c1 91252188 HKYORPIUYJTOFG-UHFFFAOYSA-N 283.215 3.976 0 40 CHAB O[C@H](c1cc(F)cc(F)c1)c1cccc(Cl)c1 4242374 QMYZVECPIZFBQW-ZDUSSCGKSA-N 254.663 3.700 0 40 CHAB CC[C@@H](C)NCc1cc(Cl)cc(Cl)c1OC 5907270 WITQPGCGTLZPGK-MRVPVSSYSA-N 262.180 3.890 0 40 CHAB Oc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1 5770128 YYUUZKUUGKNKBJ-UHFFFAOYSA-N 285.324 3.594 0 40 CHAB C[C@@H](NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C)c1ccccc1 5881316 YRRGAAPZEMLIFP-ZNOIYHFQSA-N 299.414 3.649 0 40 CHAB C[C@H]1C[C@H]1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 12973097 IIQQETLIAJWBIO-SWLSCSKDSA-N 282.387 3.530 0 40 CHAB Cc1cc([C@@H]2CCCCCN2Cc2ccc(O)cc2)no1 19119405 RQTNOPBEQCVRJP-KRWDZBQOSA-N 286.375 3.806 0 40 CHAB Cc1ccc2cc3c(nc2c1)OC(=O)N(C1CCCC1)C3 19234302 RNEDUSLDJKAHOG-UHFFFAOYSA-N 282.343 3.800 0 40 CHAB O=C(O)CCCc1ccc2c(c1)Cc1ccccc1-2 1758636 NRBCTGWIKVVZMS-UHFFFAOYSA-N 252.313 3.665 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1cnc2ccccc2n1 1775996059 SOTJSNBGBFSNOV-OKILXGFUSA-N 265.360 3.707 0 40 CHAB CC(C)C[C@@H](C)c1cc(N)nc2nc3ccccc3n12 134776 HIRJGPZTWUBXDB-LLVKDONJSA-N 268.364 3.614 0 40 CHAB C[C@@]12CCC3=C(CCc4cc(O)ccc43)[C@H]1CCC2=O 1258 OUGSRCWSHMWPQE-SJLPKXTDSA-N 268.356 3.871 0 40 CHAB O=c1cc(-c2cccnc2)oc2ccc(Cl)cc12 1513934 VRVLDMZMQZYPDM-UHFFFAOYSA-N 257.676 3.508 0 40 CHAB O=C(CN1CCCc2ccccc21)c1ccc(Cl)cc1 1595191 NJKMKSJWEQLMGQ-UHFFFAOYSA-N 285.774 3.976 0 40 CHAB C[C@H]1CC(C)(C)O[C@H](c2cc3c(cc2Cl)OCO3)O1 1670487 NZVOPUJOXFVYIA-ISVAXAHUSA-N 284.739 3.671 0 40 CHAB Cc1ccc2ccccc2c1NC(=O)CN1CCC[C@@H](C)C1 4903223 OPROEDYFLGAFMN-CQSZACIVSA-N 296.414 3.819 0 40 CHAB Cc1nc(N2CCCCCC2)c2c3c(sc2n1)CCC3 2680208 NTGMBYFTFBJPKX-UHFFFAOYSA-N 287.432 3.869 0 40 CHAB O=C(CSCc1ccccc1)N1CCc2ccccc2C1 10608389 FGIAIRIEMKLEON-UHFFFAOYSA-N 297.423 3.505 0 40 CHAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OC)cc12 543841 QMXOZJLPVKCCCU-UHFFFAOYSA-N 276.332 3.916 0 40 CHAB biogenic CC1(C)COC(CC(=O)c2ccc(Cl)cc2Cl)=N1 101134561 SZEPGZWVGZACQX-UHFFFAOYSA-N 286.158 3.774 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC1CCCC1 20454991 OTHNJZKACPCFEN-INIZCTEOSA-N 275.392 3.520 0 40 CHAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1 1508317 RJHGZNAEYSSXFP-UHFFFAOYSA-N 292.382 3.807 0 40 CHAB CCc1ccc(-c2nc(C(=O)NCC3CC3)cs2)cc1 25574456 RGAJQMKMCJWCGY-UHFFFAOYSA-N 286.400 3.512 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccc(-n3cccn3)cc2)c1 21796316 HZRBPBRQZZUFAD-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB C/C=C/C=C/C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 27839753 KUPHFAADJFURTJ-BSWSSELBSA-N 286.375 3.742 0 40 CHAB O=C(CCc1ccc(F)cc1)NC1CCCCCCC1 60878918 NPQUETOSMPGQNS-UHFFFAOYSA-N 277.383 3.987 0 40 CHAB CCN(C(=O)Nc1ccc(Cl)nc1)[C@@H](C)C(C)C 49395622 JJDMKNHRLFPUDI-JTQLQIEISA-N 269.776 3.633 0 40 CHAB CN1/C(=C\C(=O)NC2CCCCC2)C(C)(C)c2ccccc21 18119682 QEBUWCDDZZSVLF-LGMDPLHJSA-N 298.430 3.747 0 40 CHAB O=Cc1ccc(-c2ccccc2Br)s1 4312927 IQUYPNNYNSJOEJ-UHFFFAOYSA-N 267.147 3.990 0 40 CHAB COc1ccc2ccccc2c1CNCCCOC(C)C 4695063 CQLPVGFZNCMEIZ-UHFFFAOYSA-N 287.403 3.753 0 40 CHAB Cc1cccc(C)c1NC(=S)N1C[C@@H](C)C[C@H](C)C1 5656781 DSNIDPHHWIMMTM-RYUDHWBXSA-N 276.449 3.978 0 40 CHAB Cc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 6811199 JMCHVAQPKGZWRB-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB Cc1csc(NC(=O)[C@H](C)Nc2cccc(C)c2C)n1 7467681 ANNRUWPANSVHLW-LBPRGKRZSA-N 289.404 3.507 0 40 CHAB C[C@H]1CN(Cc2nccn2CC(F)(F)F)c2ccccc21 71797101 KOQTWHVCKOZTLL-NSHDSACASA-N 295.308 3.569 0 40 CHAB CC(C)N1CCN(C2CCC(c3ccccc3)CC2)CC1 19900126 LFWRZYKKSZTERA-UHFFFAOYSA-N 286.463 3.739 0 40 CHAB COc1ccc(CNCc2ccco2)c(C(F)(F)F)c1 71924582 BQGDPRSVSSKCNZ-UHFFFAOYSA-N 285.265 3.597 0 40 CHAB OC1=N[C@@H](c2nc(-c3ccccc3)cs2)N2CCCC[C@H]12 78758989 YCOVPTWWRJLCTA-ZIAGYGMSSA-N 299.399 3.633 0 40 CHAB C/C=C/C=C/C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 89597896 JAJBHYLVVFKDCP-KVOZUEDISA-N 299.399 3.515 0 40 CHAB CCC[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1 408706392 LBLFZPAQPAUIQR-GFCCVEGCSA-N 283.799 3.804 0 40 CHAB CC(=O)Nc1ccccc1SCc1ccccc1 409177194 DDIPKPUMVUFASN-UHFFFAOYSA-N 257.358 3.937 0 40 CHAB Cc1sc(C)c(CNCC(C)C)c1CNCC(C)C 35327462 GVCDUZLWFJUFPN-UHFFFAOYSA-N 282.497 3.856 0 40 CHAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2)cc1 219485732 FBJPASYLTWVDDR-INIZCTEOSA-N 297.398 3.511 0 40 CHAB CC(C)Oc1cc2oc(C(=O)O)cc2cc1Cl 72219750 KFEBYTJIIKEOEO-UHFFFAOYSA-N 254.669 3.572 0 40 CHAB Cc1cc([C@@H]2CCCN2Cc2ccccc2)cnc1N(C)C 72218609 PNMZGNULPKHLST-SFHVURJKSA-N 295.430 3.793 0 40 CHAB CCCCN1CCCC[C@H]1c1cccnc1N(C)CC 72212801 HBOBUTOYRPXWQG-INIZCTEOSA-N 275.440 3.865 0 40 CHAB Cc1ccncc1NC(=O)c1cccc(C(F)(F)F)c1 334960902 CHSUQZFPWCGXGL-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB CC[C@@H](CNC(=S)Nc1cccnc1)Cc1ccccc1 225633988 ZXNHAVXZBOTMBJ-CQSZACIVSA-N 299.443 3.637 0 40 CHAB Cc1ccccc1[C@H](NC(=O)C1CC1)c1ccccc1 225383499 ZTLJGHIDRFPHSK-QGZVFWFLSA-N 265.356 3.611 0 40 CHAB Cc1ccc(C)c(OCCNC(=O)/C=C/c2ccccc2)c1 223976532 LFEHYYRGRSECTR-ZHACJKMWSA-N 295.382 3.512 0 40 CHAB Clc1cc(Cl)cc(OCCC2OCCCO2)c1 89064050 INSWRTGOWXKSRG-UHFFFAOYSA-N 277.147 3.525 0 40 CHAB CCOC(=O)CCC(=O)c1ccc(SC)cc1Cl 43214384 QQINEMKKDYRFHQ-UHFFFAOYSA-N 286.780 3.588 0 40 CHAB CC(C)Oc1cccc(NC(=O)Cc2ccc(F)cc2)c1 225658981 NVVBWEKTXGBATE-UHFFFAOYSA-N 287.334 3.794 0 40 CHAB Cc1cccc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c1 225060670 AQNVHKVMDYXFSF-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB CC(C)CNCc1ccn([C@@H](C)c2ccccc2)c1 223694809 QEEPJCZOPWDEMT-HNNXBMFYSA-N 256.393 3.843 0 40 CHAB CCCOCc1cc(C(=O)Nc2ccccc2)ccc1OC 224411578 RZRKZMAFNVTZPE-UHFFFAOYSA-N 299.370 3.874 0 40 CHAB CC[C@H](NC(=O)c1cccnc1)c1ccc(C)cc1C 225432014 IVKMQNJZPLXLQK-INIZCTEOSA-N 268.360 3.580 0 40 CHAB COc1ccc(C(=O)O)cc1CSc1ccc(C)cc1 131938658 CCRKFNUKWVQQJG-UHFFFAOYSA-N 288.368 3.994 0 40 CHAB CCCCC[C@H](C)NC(=O)[C@@]1(C)CC1(Cl)Cl 55544630 KNPHRJNMNATWDE-GXSJLCMTSA-N 266.212 3.655 0 40 CHAB Cc1ccc(OCc2cccc(C(=O)O)c2)cc1C 8729641 MUBZOXCESDZSJG-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB C[C@@H](CCCCCCCCCCCOCCO)C(=O)O 5354206 MQJFRZBWXYSIRZ-HNNXBMFYSA-N 288.428 3.617 0 40 CHAB COc1ccc(CN2CCCCC[C@H]2c2ccn(C)n2)cc1 12154146 YPBUIPGXXNOZAN-SFHVURJKSA-N 299.418 3.546 0 40 CHAB FC(F)(F)c1ccc(NCc2cccnc2)cc1 19909805 CYZOWPNJJCSEFV-UHFFFAOYSA-N 252.239 3.713 0 40 CHAB CC(C)c1cccc2sc(N3CCC(CO)CC3)nc12 1889111367 AVXRASOFASMHOA-UHFFFAOYSA-N 290.432 3.628 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)C1CC1 40490147 CXUIDKGSIWGFHP-NSHDSACASA-N 284.359 3.521 0 40 CHAB O=C(Nc1cccnc1)C(c1ccccc1)c1ccccc1 124829 ZLDWLMKZVCUCBB-UHFFFAOYSA-N 288.350 3.852 0 40 CHAB Nc1nnc(SCc2cccc3ccccc23)n1C1CC1 31853651 JVKLUHUNKRMZCV-UHFFFAOYSA-N 296.399 3.641 0 40 CHAB C[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(F)cc1 8285659 LOIOVUAUVRQKJL-ZDUSSCGKSA-N 299.345 3.666 0 40 CHAB CCCNC(C)(C)COC(=O)Nc1ccccc1Cl 1671774 MQITZAOQIYBFET-UHFFFAOYSA-N 284.787 3.667 0 40 CHAB Cc1cc(C)cc(NC(=O)c2ccc(Br)o2)c1 311443 WFKQNIFJYIAIOS-UHFFFAOYSA-N 294.148 3.911 0 40 CHAB Cc1ccccc1CNn1c(-c2ccccc2)n[nH]c1=S 7601539 JDOGOYKZOUEADQ-UHFFFAOYSA-N 296.399 3.660 0 40 CHAB COc1cc(C(=O)Nc2ccccc2)ccc1OC(F)F 2795329 CUIKYZOADWKVHC-UHFFFAOYSA-N 293.269 3.549 0 40 CHAB CC[C@H](C)Nc1ncnc2ccc(Br)cc12 41470827 IMMOEKUORANPHO-QMMMGPOBSA-N 280.169 3.603 0 40 CHAB O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(Cl)c1 100979652 GYHDHQRBABUUEI-UTUOFQBUSA-N 278.783 3.898 0 40 CHAB O=C1CC(Nc2cccc(Cl)c2)=NN1c1ccccc1 3156859 KZILQMFZWRQDPL-UHFFFAOYSA-N 285.734 3.502 0 40 CHAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2)cc1 20104243 UKYAELYMEXXSLG-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB CCOC(=O)CCCCCC(=O)c1cc(F)ccc1F 2243644 LBDYCYRUMOHSHG-UHFFFAOYSA-N 284.302 3.661 0 40 CHAB O=C(CSc1ncnc2ccccc12)c1ccc(F)cc1 3477313 GOPVSDVJAVOBLT-UHFFFAOYSA-N 298.342 3.744 0 40 CHAB Cc1nc2ccccc2nc1SCc1c(C)noc1C 12980569 LJIDGTNKYCMSJP-UHFFFAOYSA-N 285.372 3.835 0 40 CHAB CCCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 13007035 SVUCQRXTJOBOND-UHFFFAOYSA-N 284.403 3.919 0 40 CHAB Cc1nnc([C@@H](C)N(C)CCc2cccc3ccccc23)o1 69530169 YUTWDOUGASXJMD-CYBMUJFWSA-N 295.386 3.767 0 40 CHAB CCCCCCNC(=S)Nc1ccc(OCC)cc1 13819084 UHXJVGTTXLQZQH-UHFFFAOYSA-N 280.437 3.952 0 40 CHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCC(C)C 6270926 VTCCZECGLPKGHK-GFCCVEGCSA-N 283.799 3.578 0 40 CHAB CCCOC[C@@H](O)Cn1c2ccccc2c2ccccc21 4794874 OYCZGFVPMIFHCL-AWEZNQCLSA-N 283.371 3.582 0 40 CHAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C 6790468 WCNBEXAGHDBVEF-SMDDNHRTSA-N 295.810 3.722 0 40 CHAB O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCCC1 15199118 MKNDQMPNXZVZIR-ZDUSSCGKSA-N 279.380 3.669 0 40 CHAB O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CCC2 15934244 PKALTRHMOXCGJP-UHFFFAOYSA-N 270.307 3.958 0 40 CHAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C1CC1 7740676 PTFNCIJVHLEWIX-CQSZACIVSA-N 279.383 3.733 0 40 CHAB O=C1c2ccccc2N[C@@H](c2ccccc2F)N1C1CC1 7886079 YSPUTUYORRGAEI-MRXNPFEDSA-N 282.318 3.555 0 40 CHAB CC[C@H](NC(=O)COc1ccccc1C)c1ccccc1 20460726 NOSIYJZTIGIHSQ-INIZCTEOSA-N 283.371 3.641 0 40 CHAB Cc1ccc(O)c(NC(=O)Cc2ccccc2Cl)c1 8190057 PKGUEAHOKCARRS-UHFFFAOYSA-N 275.735 3.535 0 40 CHAB Fc1ccc(-c2nc(Cl)cc(C(F)(F)F)n2)cc1 96033015 JDNREARUSVFRNO-UHFFFAOYSA-N 276.620 3.955 0 40 CHAB C[C@H]1OCC[C@H]1Nc1ccc(Cl)c(Br)c1 96034112 QVFDBRTYZDSBRA-RDDDGLTNSA-N 290.588 3.692 0 40 CHAB CCOC(=O)c1sc(-c2cc(C)cc(C)c2)cc1N 19797279 ALVNHXSVTSBLJW-UHFFFAOYSA-N 275.373 3.791 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)c(F)c2)c(C)c1 9451259 LCVDUTLHROTHAS-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CCOc1ccc([C@@H](N)c2cccc(Cl)c2)cc1 19967420 JNZWYHLQVPTSOU-OAHLLOKOSA-N 261.752 3.787 0 40 CHAB in-vitro CC(C)Cc1nnc([C@@H](C)SC[C@H]2CCCCO2)o1 95965634 GKSBLJLIFXCJPX-VXGBXAGGSA-N 284.425 3.631 0 40 CHAB CN(C)N(C)CN1c2ccccc2Sc2ccccc21 30836141 FHGXKNQZSWFQOF-UHFFFAOYSA-N 285.416 3.655 0 40 CHAB C[C@]12CCC(=O)C[C@@H]1CCC1=C2CC[C@@H]2C(=O)CC[C@H]12 3843937 ZWHSPFDZONRAGT-NYBLNRJDSA-N 272.388 3.841 0 40 CHAB biogenic C[C@H]1CCCCN1C(=O)c1ccc(-c2ccco2)o1 72243281 UUUXKEVTCCXUCY-NSHDSACASA-N 259.305 3.554 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 39737972 NVKAWKQGWWIWPM-MKKWQDLQSA-N 290.447 3.959 0 40 CHAB COc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72211748 WJCOUZYOAFPKMK-ZDUSSCGKSA-N 292.379 3.552 0 40 CHAB O=C(O)CC1(CC(=O)c2ccc(Cl)cc2)CCCC1 40224354 AXSCXPWQUJCIEX-UHFFFAOYSA-N 280.751 3.948 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCC2=CCCCC2)c1 224293089 PMFVCALHXYMANT-OAHLLOKOSA-N 287.403 3.687 0 40 CHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(Cl)c1 225614287 MBMDRKCJDOTJET-OAHLLOKOSA-N 299.798 3.882 0 40 CHAB Cc1cc(NC2CCCCC2)ncc1Br 42783999 ZUTHEYKVUSYTHV-UHFFFAOYSA-N 269.186 3.897 0 40 CHAB CCn1c(C)c(C(=O)Nc2ccccc2)sc1=S 226759658 BUCCJPKPFKRTJA-UHFFFAOYSA-N 278.402 3.860 0 40 CHAB CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 146843752 QLZONRIRBHGUJG-UHFFFAOYSA-N 296.581 3.784 0 40 CHAB Fc1cc(Br)ccc1-n1ccc2cccnc21 95915741 NWBXSJGDJVKEII-UHFFFAOYSA-N 291.123 3.927 0 40 CHAB CC(C)(C)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 75895488 DWRRYPWSQPBMHK-UHFFFAOYSA-N 269.266 3.844 0 40 CHAB Cc1ccccc1C(=O)NC[C@@H](C)c1ccccc1 15744887 NIGHHBFDEJSIAB-CQSZACIVSA-N 253.345 3.529 0 40 CHAB CC1CCC(NC(=O)c2cc3ccccc3o2)CC1 26534 ASIMMWIIASPCRZ-UHFFFAOYSA-N 257.333 3.741 0 40 CHAB COCCNc1nc(-c2ccc(Cl)cc2)cs1 3350532 VBFULYUEYYWMHO-UHFFFAOYSA-N 268.769 3.522 0 40 CHAB Nc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1 35697087 PSFDUKOPEFIREJ-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB Fc1cccc(F)c1Nc1ccc(Br)cn1 16839882 VGGGCKVJICSZNH-UHFFFAOYSA-N 285.091 3.866 0 40 CHAB CCC(=O)Nc1nc2c(C)ccc(Cl)c2s1 4331246 IZZQKNNSZILJJP-UHFFFAOYSA-N 254.742 3.607 0 40 CHAB C[C@H](c1ccc(F)cc1)N(C)Cc1nnsc1Cl 40013634 HNZYOHFNXPDBOK-MRVPVSSYSA-N 285.775 3.524 0 40 CHAB Cc1cc2cc(NC(=O)[C@]3(C)CC3(Cl)Cl)ccc2[nH]1 40081304 OPNAQCKVONOTJO-ZDUSSCGKSA-N 297.185 3.999 0 40 CHAB C[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 30122 UEFLVNWAPMVZQD-SECBINFHSA-N 272.175 3.866 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc3c(c2)CCC3)C1 20569336 VCQNPHWPNVCGRK-BETUJISGSA-N 272.392 3.685 0 40 CHAB CCN(CC)CCOc1ccccc1Cc1ccccc1 1407 BPXIOWINQPQVOY-UHFFFAOYSA-N 283.415 3.998 0 40 CHAB in-man Cc1cc(C)c(C(=O)Oc2ncnc3ccccc23)c(C)c1 367563 ZPUORLMPZRXAOW-UHFFFAOYSA-N 292.338 3.774 0 40 CHAB Cc1ccc2c(c1)[C@H]([C@H]1Cc3cccc(C)c3C1=O)OC2=O 1646142 OSURRXSQPWVEJI-MAUKXSAKSA-N 292.334 3.570 0 40 CHAB CCCCCCNCC(C)(C)OC(=O)c1ccccc1 1669895 OONQFQGZIBERKH-UHFFFAOYSA-N 277.408 3.792 0 40 CHAB C[P@@](=O)(NC(=O)Nc1ccccc1)Oc1ccccc1 3219168 LGQPPEWZJQBPIH-FQEVSTJZSA-N 290.259 3.710 0 40 CHAB CCCC[C@@H](CC)CNC[C@@H](O)COc1ccc(C)cc1 2647024 KYRXGNDXTRQLMI-IAGOWNOFSA-N 293.451 3.541 0 40 CHAB Cc1cc(C)c(-c2nnc(NC(=O)C(C)C)s2)c(C)c1 4070324 PWKOKZUILJMTJM-UHFFFAOYSA-N 289.404 3.725 0 40 CHAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)O 4849432 UECJOERQWOGRNH-UHFFFAOYSA-N 275.373 3.591 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1cc(C)ccc1C 109768983 RGMWINDZXWVUIN-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB C[C@H](NC(=O)c1occc1-c1ccccc1)c1ccncc1 52606617 SQNJFSMXDSOFTQ-ZDUSSCGKSA-N 292.338 3.833 0 40 CHAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1cccc(Cl)c1 100227591 WSCOFWULFHIQNJ-RHSMWYFYSA-N 299.805 3.700 0 40 CHAB Cc1ccc([C@H](CC(=O)c2ccco2)SCCO)cc1 1896348 PIRIGGVEFQHHDW-INIZCTEOSA-N 290.384 3.628 0 40 CHAB CC(C)c1nsc(N[C@H]2CCOC3(CCCC3)C2)n1 89893724 UUBKJXHZIPHDLM-NSHDSACASA-N 281.425 3.565 0 40 CHAB CC(C)(C)OC(=O)Nc1ccccc1C1CCNCC1 22015230 NUUKIJUPCYBCIZ-UHFFFAOYSA-N 276.380 3.501 0 40 CHAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1nc(-c2ccccc2)c[nH]1 58194265 JRMIMOLWSFNTFH-ZIAGYGMSSA-N 295.386 3.610 0 40 CHAB Fc1cccc(F)c1-c1csc(NC2CC2)n1 12976668 FWMBGMAXSBPOBP-UHFFFAOYSA-N 252.289 3.663 0 40 CHAB Cc1ccc(-c2nc(C(=O)N3CCCC3)cs2)c(C)c1 49492407 XAHKVNNZICRFKN-UHFFFAOYSA-N 286.400 3.663 0 40 CHAB CSc1ccc(CNCCc2ccccc2)cc1 19871925 OCQALEMKXRWSOR-UHFFFAOYSA-N 257.402 3.741 0 40 CHAB COc1cccc(CCCNC(=O)c2ccc(C)cc2C)c1 66436101 APNNTIHLRIDBIC-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB C[C@H](NC(=O)c1ccco1)c1ccc(-n2cccc2)cc1 28221004 MXPQQJFYBGSLPZ-ZDUSSCGKSA-N 280.327 3.561 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cccc3cccnc23)c1 9607524 NTHAWMPDJCJTEM-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB c1ccc(COc2ccc(CNC3CCOCC3)cc2)cc1 77885986 FOPHQICGVVONRH-UHFFFAOYSA-N 297.398 3.534 0 40 CHAB Cc1ccc(SCCC(=O)NCC2(C)CC2)cc1C 72311355 CRNVFCLTJCYEEL-UHFFFAOYSA-N 277.433 3.702 0 40 CHAB C[C@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1ccccc1 79416714 CXEJEOCPRYVFGU-PBHICJAKSA-N 298.386 3.757 0 40 CHAB CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)nc(C)n2C 84735476 ZDPZSLXHDSUFAC-HIFRSBDPSA-N 299.418 3.580 0 40 CHAB CC(C)[C@H](CNC(=O)CCC1CCCC1)c1cccnc1 75107161 ZILLQYLUKIOKTB-KRWDZBQOSA-N 288.435 3.908 0 40 CHAB CCn1c(C)cc(C(=O)N[C@@H](C)CCc2ccccc2)c1C 27064052 HTFCSFTWPBOCJS-AWEZNQCLSA-N 298.430 3.876 0 40 CHAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)ccc2C)cc1 30753859 ZCNHWBOUXAVHQM-INIZCTEOSA-N 297.398 3.868 0 40 CHAB CCOC(=O)c1cccnc1Oc1cccc(Cl)c1 34929197 IYSLGYUBCXQKCI-UHFFFAOYSA-N 277.707 3.704 0 40 CHAB Nc1[nH]nc(C(F)(F)F)c1-c1c(Cl)cccc1Cl 36935211 WZQNVMVGPNOQGI-UHFFFAOYSA-N 296.079 3.985 0 40 CHAB CCCCN[C@@H](C)c1ccn(Cc2ccccc2)c1 78406088 GKSQFTYJTUKIMQ-HNNXBMFYSA-N 256.393 3.987 0 40 CHAB CCN1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214310 JYMVNBAHLKECBD-ZDUSSCGKSA-N 291.395 3.585 0 40 CHAB COc1ccccc1C(=O)c1ccccc1C(F)(F)F 45028457 CFIJAZOGXGZHLR-UHFFFAOYSA-N 280.245 3.945 0 40 CHAB Cc1ccc([C@@H](O)c2ccc(F)c(Cl)c2)s1 84007718 VLOJMBYCNYREQU-LBPRGKRZSA-N 256.729 3.931 0 40 CHAB COC(=O)Nc1cccc(OCc2sc(C)nc2C)c1 81080455 WOFQNDJOVPXWLZ-UHFFFAOYSA-N 292.360 3.517 0 40 CHAB NCc1cnc(-c2ccc(Cl)cc2)cc1C(F)(F)F 89261631 XYRJYQFJZQIRLC-UHFFFAOYSA-N 286.684 3.880 0 40 CHAB O=C(Cc1ccccc1F)NCc1cccc2ccccc12 222898336 VJQFTJSXKGUSHB-UHFFFAOYSA-N 293.341 3.838 0 40 CHAB COc1ccc([C@H]2COc3ccc(Cl)cc3N2)cc1 96531169 OZELXJOMIUMUDG-CQSZACIVSA-N 275.735 3.894 0 40 CHAB Cc1ccccc1COc1c(CO)ccc(C)c1C 95095208 CWSXXKJTIXTALE-UHFFFAOYSA-N 256.345 3.683 0 40 CHAB Cc1cc(C(=O)N(Cc2ccoc2)C2CCCCC2)on1 96423067 LPTVAOWEFIPOHO-UHFFFAOYSA-N 288.347 3.551 0 40 CHAB CSc1ccc(CN(C)Cc2nccn2C(F)F)cc1 298071884 IKDLAMYNJKZDSA-UHFFFAOYSA-N 297.374 3.632 0 40 CHAB C[C@H](c1noc([C@@H]2C[C@@H]2c2ccc(C#N)cc2)n1)C1CC1 390833258 FILJFCNZAOGABY-COLVAYQJSA-N 279.343 3.726 0 40 CHAB CCOc1ccc2[nH]c(C(F)F)c(C(C)C)c(=O)c2c1 685938618 XPOZRQZQNCLLMB-UHFFFAOYSA-N 281.302 3.988 0 40 CHAB FC(F)(F)c1ncc(Br)cc1Cl 95763629 ZPBKBNUETCNZFE-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB Cc1ccc(C)c(/C=C2/N=C(c3cccc(F)c3)OC2=O)c1 445788 QPRPRBASVJQBFV-MHWRWJLKSA-N 295.313 3.787 0 40 CHAB CC1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 12947397 JDDLEQGBFPYNRX-MBHSVXNSSA-N 295.810 3.802 0 40 CHAB Cc1cccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1 16349173 RYLXOXXFJPSNDB-UHFFFAOYSA-N 283.415 3.828 0 40 CHAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1N 19502295 HSZZPHRYCFTZLA-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CCc1ncnc(N2CC3(CC(c4ccccc4)C3)C2)c1F 1889118417 HFIAUEIREPXRCI-UHFFFAOYSA-N 297.377 3.562 0 40 CHAB Clc1cccc(NCc2nc(-c3ccco3)no2)c1 40057017 LTQBZKQAGCMKGL-UHFFFAOYSA-N 275.695 3.595 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)Nc1ccccc1F 40092889 SFOOXTAVQUJMPS-UHFFFAOYSA-N 278.352 3.966 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)CCCc1cccs1 40161049 YOMWNDNDIYKTRJ-OCCSQVGLSA-N 265.422 3.766 0 40 CHAB CC(=O)c1cc(C)ccc1OC(=O)c1cccc(C)c1 148586 MNLPLZYAHMFHQW-UHFFFAOYSA-N 268.312 3.725 0 40 CHAB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccccc1Cl 843017 HPHDKXHUWUKZDT-OAHLLOKOSA-N 286.762 3.561 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 2495477 ITAAODZSCWETAN-IAOVAPTHSA-N 265.356 3.668 0 40 CHAB CCOC(=O)c1ccc2scc(CN(CC)CC)c2c1 339172 JKDFQDKVCOJUSD-UHFFFAOYSA-N 291.416 3.920 0 40 CHAB CCCCCNC(=O)CSCc1ccc(C)cc1 6597187 AQJHZEJTRFIXIB-UHFFFAOYSA-N 265.422 3.535 0 40 CHAB CCCC[C@H](CC)CNC[C@H](O)COc1ccc(C)cc1 2647023 KYRXGNDXTRQLMI-IRXDYDNUSA-N 293.451 3.541 0 40 CHAB O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1CCCO1 8429499 VIAPNBOLUCYDIR-MRXNPFEDSA-N 283.327 3.596 0 40 CHAB COc1ccc2c(=O)cc(-c3ccc(C)cc3)oc2c1 522064 OBNQAKAHHNLJHT-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB biogenic,in-vivo CCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1 22558541 YTHXAQMRZHCLJP-UHFFFAOYSA-N 293.370 3.546 0 40 CHAB O=C(c1c(O)c(Cl)cc(Cl)c1Cl)C1CC1 52068511 LIIJPWCAAVYEED-UHFFFAOYSA-N 265.523 3.945 0 40 CHAB CCONC(=O)c1sc2cccc(C)c2c1Cl 24716172 JUTGOBFHAJMPPD-UHFFFAOYSA-N 269.753 3.544 0 40 CHAB Cc1ccnc(NC(=O)c2csc(-c3ccccc3)n2)c1 12526521 PBDODJYZPDMUSN-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)o1 106676932 LQQKRDBOGCWELK-SNVBAGLBSA-N 292.404 3.833 0 40 CHAB Cc1cc(NCn2c(=S)sc3ccccc32)no1 1463175 YRBOQFVRDQEYFM-UHFFFAOYSA-N 277.374 3.798 0 40 CHAB Cc1ccc(CN(C)C(=O)N[C@H](C)c2ccccn2)c(C)c1 26184724 RUHBCOOJQHXRBD-OAHLLOKOSA-N 297.402 3.601 0 40 CHAB CCCOc1ccc(-c2csc(NC(C)=O)n2)cc1 1903756 FBJSQDKPIKWNPC-UHFFFAOYSA-N 276.361 3.557 0 40 CHAB CCc1nnc(SCc2cccc(Br)c2)o1 20034163 POXGNMWBBAXELN-UHFFFAOYSA-N 299.193 3.687 0 40 CHAB Cc1cc2cc(C(=O)c3ccccc3O)cnc2cc1C 10025122 ALJYOXOCWNCKEW-UHFFFAOYSA-N 277.323 3.788 0 40 CHAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 3381515 DOGIMKFPUPJJDX-QGZVFWFLSA-N 281.355 3.503 0 40 CHAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)C(C)C)c1 48258807 FCLLISQZVMTNLG-GFCCVEGCSA-N 291.395 3.510 0 40 CHAB S=C(NCc1ccccc1Cl)NC1CCCCC1 3958934 FSMLQKSUVUTXMG-UHFFFAOYSA-N 282.840 3.637 0 40 CHAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc(C)cc2)cc1 8392266 MBKAPLBLTQMHGC-CQSZACIVSA-N 282.387 3.997 0 40 CHAB O=C(Nc1nc2c(s1)CCC2)c1cccc(Cl)c1 6526339 DYRZEHYDOIYLIP-UHFFFAOYSA-N 278.764 3.538 0 40 CHAB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1 5638732 GPWSSSLOWPJGAU-LICLKQGHSA-N 288.734 3.874 0 40 CHAB CCOc1ccccc1NC(=O)c1ccc2c(c1)CCC2 8749890 NBYPYQCNCGZTLF-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB Cc1ccccc1N1N[C@@]2(C[C@@H](C)CC(C)(C)C2)NC1=O 15867860 QWVCOKXBURSPEK-YVEFUNNKSA-N 287.407 3.572 0 40 CHAB Cc1oc(-c2ccccc2)nc1CSC[C@@H](C)CO 80615843 RNFJENPAQVZYCN-NSHDSACASA-N 277.389 3.512 0 40 CHAB CC(C)(C)Cc1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890737 YNYAGKOJTQAAOE-UHFFFAOYSA-N 298.346 3.739 0 40 CHAB Cc1ccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)s1 28304980 NYWYOQZNAFVDIN-UHFFFAOYSA-N 283.356 3.699 0 40 CHAB C[C@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccccn1 86339989 RHBMPILTYFOJOF-STQMWFEESA-N 299.374 3.671 0 40 CHAB CC[C@@H](NC(=O)C1CC1)c1ccc2c(c1)CCCC2 170569660 HGJWKTGIKWSKMI-MRXNPFEDSA-N 257.377 3.543 0 40 CHAB COc1ccc2oc(C(=O)NC3CCCCC3)cc2c1 409190282 RKLQXQNGLNVGNX-UHFFFAOYSA-N 273.332 3.504 0 40 CHAB CC[C@@H](C)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 181308335 VTNLXFTVCDXWHM-BDAKNGLRSA-N 277.334 3.511 0 40 CHAB Cc1ccc(-c2nc(S)c3ccccc3n2)cc1 3850870 XGHHAVRTNKUSQA-UHFFFAOYSA-N 252.342 3.894 0 40 CHAB biogenic Cc1ccc(C(=O)Nc2cnc(C)c(Cl)c2C)s1 72265145 RWHKRQHHBOLULV-UHFFFAOYSA-N 280.780 3.974 0 40 CHAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](C(F)(F)F)S1 71285259 KRKVYUVVMDUMPJ-SSDOTTSWSA-N 279.287 3.570 0 40 CHAB CC(C)C[C@@H](NCc1cccc(Cl)c1Cl)C(=O)O 43432659 HLFGTYVWSVKBMB-LLVKDONJSA-N 290.190 3.582 0 40 CHAB Cc1cc(N(C)Cc2ccccc2)ncc1Br 42783504 LRQGVSHJDDGSHZ-UHFFFAOYSA-N 291.192 3.789 0 40 CHAB CCc1ccc(OCCNC(=O)c2ccc(C)cc2C)cc1 225057457 DGPZDJDZTBXOST-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)C(C)C 225218075 CALHOCRMTCTBBT-GJZGRUSLSA-N 277.408 3.622 0 40 CHAB c1csc(COc2ccc(-c3cn[nH]c3)cc2)c1 85390695 IIFDPOVKEYTADO-UHFFFAOYSA-N 256.330 3.717 0 40 CHAB Cc1ccc(SCCNC(=O)[C@@H]2CC=CCC2)cc1C 40160014 UAIAGSAFIBEQSS-OAHLLOKOSA-N 289.444 3.868 0 40 CHAB O=C(O)c1cc2c(Br)cc(F)cc2s1 90557812 PXGFZIQMCBVBMJ-UHFFFAOYSA-N 275.098 3.501 0 40 CHAB Cc1c(Cl)cccc1C(=O)COc1ccccc1 95916384 WZFDAJBLHLJXPN-UHFFFAOYSA-N 260.720 3.910 0 40 CHAB CC(C)CCCNC(=O)[C@@H]1C[C@H](C)Nc2ccccc21 62097854 XHDJVOMQLIUQON-DZGCQCFKSA-N 274.408 3.527 0 40 CHAB O=C(c1cc(OC(F)(F)F)ccc1Cl)C1CC1 575361613 YDVFHMZYLTYJMO-UHFFFAOYSA-N 264.630 3.831 0 40 CHAB CCc1c(C(C)C)[nH]c2c(Br)cccc2c1=O 685938402 QUZCTLHUFGQPRJ-UHFFFAOYSA-N 294.192 3.976 0 40 CHAB N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 55225499 ASYITWYWBCCRPX-MRVPVSSYSA-N 257.177 3.658 0 40 CHAB in-vitro CC(C)(C)c1ncc(C(=O)OCCC(F)(F)F)s1 95955558 KIECZZSJOPWOOV-UHFFFAOYSA-N 281.299 3.550 0 40 CHAB S=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 16212634 ZNJGUXPWGCZBSS-CWSCBRNRSA-N 280.824 3.815 0 40 CHAB C[n+]1c(/C=C\C=C/c2ccccc2)oc2ccccc21 17157661 DRZBHELREJXBBS-ORXDPHSNSA-N 262.332 3.984 0 40 CHAB N[C@H](c1ccccc1)c1cccc(C(F)(F)F)c1 19415299 CWFKHNVINSPTMT-CYBMUJFWSA-N 251.251 3.754 0 40 CHAB CC(C)(O)[C@@]1(C)c2ccccc2CCN1Cc1ccccc1 19848039 UOGRJJMJWDCFCP-HXUWFJFHSA-N 295.426 3.731 0 40 CHAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2 6788958 YKLWQPKYAPWRMK-UHFFFAOYSA-N 269.319 3.957 0 40 CHAB CCOc1c(Cl)cc(CN[C@H](C)CC)cc1OC 8325897 IDUXLJPHAHNYIS-SNVBAGLBSA-N 271.788 3.635 0 40 CHAB O=C(NC1CCCC1)N1CC2(CC(c3ccccc3)C2)C1 1776000673 FDQBLVCAMSNJON-UHFFFAOYSA-N 284.403 3.518 0 40 CHAB CC(C)C[C@H](CNCc1c(F)cccc1Cl)N(C)C 20564732 YDPACEROMKCYDF-GFCCVEGCSA-N 286.822 3.545 0 40 CHAB Cc1ccc(NC(=O)[C@@]23CC[C@H](C2)C(C)(C)C3=O)c(C)c1 100767473 QAAXOJXLDCDAKL-ACJLOTCBSA-N 285.387 3.637 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(F)c(F)cc2Cl)C1 20569350 IMSFIVYEZFDDPY-IUCAKERBSA-N 287.737 3.736 0 40 CHAB CC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 72291 WUFHNLIBJYEIJY-UHFFFAOYSA-N 268.341 3.922 0 40 CHAB Cc1ccsc1C(=O)N1CCCc2ccccc21 355809 RPYRROPICFOKPO-UHFFFAOYSA-N 257.358 3.650 0 40 CHAB CC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1050500 CKHJLSHEMPEUMJ-UHFFFAOYSA-N 294.807 3.982 0 40 CHAB Cc1cccnc1NC(=O)Cc1cccc2ccccc12 341646 QUNKYIIZAFBSRK-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB Cc1nc2ccc(C(=O)NCc3ccccc3)cc2s1 4419047 ZDNFZZJAPWNVLB-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB CCc1ccc([C@@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 4934803 VMSXDIVIIRJUEP-LNLFQRSKSA-N 287.447 3.795 0 40 CHAB Cc1cc(C(F)F)c2c(C)nn(-c3ccccc3)c2n1 2647782 IYRAPXWNWDZPEP-UHFFFAOYSA-N 273.286 3.975 0 40 CHAB CCOc1cc(C(=S)N2CCCCC2)cc(Cl)c1O 6958878 HIJCIEOOULSOQX-UHFFFAOYSA-N 299.823 3.606 0 40 CHAB CCSc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 8480209 KCUBVSXBUKTQJA-SCRDCRAPSA-N 275.417 3.717 0 40 CHAB CCOC(=O)c1[nH]c2c(N)cc(C)cc2c1-c1ccccc1 32918921 LNYZBOVXCHUGDI-UHFFFAOYSA-N 294.354 3.902 0 40 CHAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 508342 OYQIBSICTDXPLI-JTQLQIEISA-N 299.761 3.707 0 40 CHAB O=C(OCc1ccccc1N1CCCCC1)C1CCC1 89814007 DIKRERANLBLROI-UHFFFAOYSA-N 273.376 3.520 0 40 CHAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccccc1Cl 24056449 ZTRXYWDLBBBHKP-SSDOTTSWSA-N 283.162 3.539 0 40 CHAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 21933436 IWHWEJUZSJFRPC-CHWSQXEVSA-N 269.344 3.966 0 40 CHAB Cc1noc(C)c1CN1CCC[C@H]1c1ccc(F)cc1 55506071 SPJCPFUATJOLRA-INIZCTEOSA-N 274.339 3.768 0 40 CHAB CC(C)CN(CC(C)C)C(=O)[C@H]1C[C@@H]1c1ccccc1 1480390 VPCWQGLHGNIBCI-SJORKVTESA-N 273.420 3.931 0 40 CHAB O=C(c1ccc2oc(-c3ccccc3)nc2c1)N1CCCC1 59843190 APFQQMZTDUOINS-UHFFFAOYSA-N 292.338 3.731 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nnc(C(C)C)s2)C1(C)C 26601287 VGSJKDUSHOPWAZ-WDEREUQCSA-N 293.436 3.838 0 40 CHAB O=[S@](Cc1ccccc1)Cc1ccc(Cl)cc1 58131496 JWBPNABELLAWOA-KRWDZBQOSA-N 264.777 3.789 0 40 CHAB CCCCC[C@H]1C[C@H](COc2ccccc2)OC1=O 2116244 HPDUUKCYHLISGS-DZGCQCFKSA-N 262.349 3.577 0 40 CHAB biogenic C[C@@H]1c2cccn2CCN1Cc1ncc(-c2ccccc2)o1 48364097 DDPZSYDKFLRFIM-CQSZACIVSA-N 293.370 3.720 0 40 CHAB CC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 3434415 NEEFQWBRNLLVFH-UHFFFAOYSA-N 290.269 3.811 0 40 CHAB COC(=O)[C@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 4056180 IBUGDMDFMXQWJL-ZDUSSCGKSA-N 270.328 3.602 0 40 CHAB Cc1cccc(OCc2nnc(-c3ccccc3)o2)c1 4539515 YQDGMCYTCLMGQQ-UHFFFAOYSA-N 266.300 3.624 0 40 CHAB Cc1ccc(C)c(OCCC(=O)Nc2ccccc2F)c1 7783641 QZXGXTJBVWAZHI-UHFFFAOYSA-N 287.334 3.850 0 40 CHAB CCC[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1 28210490 NZCQFPDRCPTVNB-SECBINFHSA-N 259.271 3.624 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)c1cc(Cl)c[nH]1 25615325 YTAVSSMBBFJZHY-JTQLQIEISA-N 262.740 3.501 0 40 CHAB Cc1cccc2nc(CN[C@@H](C)c3ccc(F)cc3)cn12 95422248 NKSJJXBPHAEPCF-ZDUSSCGKSA-N 283.350 3.633 0 40 CHAB CCN(CC)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 78605540 XNSUNMKPWZXJNZ-JTQLQIEISA-N 283.441 3.553 0 40 CHAB CCc1cccc(C)c1NCc1cn2c(C)cc(C)nc2n1 75094728 WTEMGJHKVFMDTR-UHFFFAOYSA-N 294.402 3.829 0 40 CHAB Cc1cc(C(=O)n2nc(C(F)(F)F)cc2C2CC2)c(C)o1 27926493 MACOEMSSZIWXDS-UHFFFAOYSA-N 298.264 3.678 0 40 CHAB CC[C@H](C)Nc1ccc([C@H]2CCCCN2CC)cn1 72213536 ZRONWPSXWANAID-DZGCQCFKSA-N 261.413 3.839 0 40 CHAB CCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1 70462037 AWXKZTUERLNWGR-UHFFFAOYSA-N 296.326 3.857 0 40 CHAB C[C@@H](O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 70453329 WHOGNKUXQJMVBC-FSPWUOQZSA-N 268.356 3.750 0 40 CHAB Cc1cc(C)c(NC(=O)NCc2ccoc2)c(C)c1 47688482 YLZMKYDAPQKKBM-UHFFFAOYSA-N 258.321 3.527 0 40 CHAB OCc1ccc(-c2nc3ccc(F)cc3s2)cc1 45923140 YVOCAPUYTRHQFH-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB CCCN1c2ccc(C(=O)O)cc2C(C)=CC1(C)C 223793344 FYYDYSBWKSQUTC-UHFFFAOYSA-N 259.349 3.797 0 40 CHAB O=C(c1cnc2ccccc2c1)c1ccccc1F 45028938 YZNKLTDCCZSMAW-UHFFFAOYSA-N 251.260 3.605 0 40 CHAB CCCn1c(C)c(CN)c2cc(O[C@@H](C)CC)ccc21 223757456 ODPGUZKXRFEEOZ-LBPRGKRZSA-N 274.408 3.996 0 40 CHAB c1ccc2sc(SCC[C@@H]3CCCCN3)nc2c1 43499424 SQDKIJHEMJDHNW-NSHDSACASA-N 278.446 3.921 0 40 CHAB Cc1ccc(CC(=O)N2c3ccccc3C[C@H]2C)c(C)c1 223349149 ANBBGBWHFGAPPB-OAHLLOKOSA-N 279.383 3.824 0 40 CHAB COc1ccc([C@H](CC(C)C)NC(=O)c2cccnc2)cc1 225429451 GGQBRVMOTDUZKQ-KRWDZBQOSA-N 298.386 3.607 0 40 CHAB COc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1C 224728132 WAQLHTFNFBJPTG-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB O=C(O)c1sc(Cl)cc1OCc1ccc(F)cc1 96510918 PCFDPMVLBGBEEC-UHFFFAOYSA-N 286.711 3.818 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)/C=C/c1ccccc1 96761839 ROCXWPRLGXLUIH-BUHFOSPRSA-N 279.383 3.837 0 40 CHAB CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@H]1CCCC1=O 93487876 BSNQLZMGLCTBIL-OLZOCXBDSA-N 281.396 3.535 0 40 CHAB CC(=O)N[C@]1(C)C[C@H](C(C)(C)C)O[C@@H]2C[C@H](C)CC[C@H]21 257204992 AXDQVDWBHSENIL-WDGOXLLCSA-N 281.440 3.521 0 40 CHAB CCCCCCO/C=C1\CCn2c1nc1ccccc1c2=O 256052264 MPWZHKUUJYAVNC-BUHFOSPRSA-N 298.386 3.738 0 40 CHAB Cc1cc(Cl)ccc1C(=O)[C@H]1CCCC[C@@H]1C(=O)O 95634109 UHUFYNOPLBARQB-STQMWFEESA-N 280.751 3.722 0 40 CHAB CC(C)COc1cc(F)c(F)cc1Br 95915379 BSSKMWNANFGFIG-UHFFFAOYSA-N 265.097 3.762 0 40 CHAB N#Cc1cnccc1Oc1ccc2c(c1)CCCC2 399454308 PLVGNFXTWDWCCW-UHFFFAOYSA-N 250.301 3.624 0 40 CHAB C[C@@H](c1ccccc1)N(C)Cc1ccc2c(c1)OCCO2 61782958 QNIGWSFZXXLTQG-AWEZNQCLSA-N 283.371 3.651 0 40 CHAB O=C(NC1CCCCC1)N1CCC[C@@H]2CCCC[C@H]21 16137824 RGFILLUHHRAWHK-DZGCQCFKSA-N 264.413 3.683 0 40 CHAB Cc1cc(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)ccc1F 16738456 AGAHXZNZDCBNEG-ZIAGYGMSSA-N 298.313 3.849 0 40 CHAB Cc1cc2n(n1)[C@@H](c1ccccc1F)Nc1ccccc1-2 817651 FXQKXEZJDZYFTQ-KRWDZBQOSA-N 279.318 3.970 0 40 CHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)NC1CCCC1 31053489 KSAWBLYJLMOTCG-UHFFFAOYSA-N 285.347 3.769 0 40 CHAB O=C(NCCC1=CCCCC1)c1ccc(Cl)cc1 142926 PFEZXYMRBDWBSS-UHFFFAOYSA-N 263.768 3.960 0 40 CHAB Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1C 50822058 HKMAUXZXDLUXDE-UHFFFAOYSA-N 280.371 3.503 0 40 CHAB O=Cc1ccc(OCc2cc(F)cc3cccnc23)cc1 31606589 RKZPOJCFOSTVHT-UHFFFAOYSA-N 281.286 3.765 0 40 CHAB O=C(c1ccc(Br)cc1)c1ccc(O)cc1F 2540032 BNOUBIJDOMWKPY-UHFFFAOYSA-N 295.107 3.525 0 40 CHAB CCc1ccc2nc(NC(=O)C3CCC3)sc2c1 3528673 CIBKWDWTCWNYDX-UHFFFAOYSA-N 260.362 3.597 0 40 CHAB CC[C@@]1(C)C[C@H]([C@@H](CCN)c2ccccc2)CCO1 4027697 XFYDEOVNLBSXAJ-IKGGRYGDSA-N 261.409 3.714 0 40 CHAB CCOc1ccc(-c2cn3nc(C(C)C)sc3n2)cc1 7994984 RARLETWTKRMKIM-UHFFFAOYSA-N 287.388 3.980 0 40 CHAB Cc1ccc(NC(=O)N2CCC[C@H]2c2cccnc2)cc1 32837439 WEEOHVFVIXBYPX-INIZCTEOSA-N 281.359 3.759 0 40 CHAB CCC[C@H](C)NC(=O)CS[C@@H](C)c1ccccc1 33047593 CYKCUWHRZVGRLR-STQMWFEESA-N 265.422 3.786 0 40 CHAB O=C(Nc1ccc(Cl)cc1F)c1cc(C2CC2)on1 23174914 FULNZXVLABGOBK-UHFFFAOYSA-N 280.686 3.597 0 40 CHAB CC[C@@H](C)c1ccc(O[C@H]2CCNC2)c(Br)c1 42774612 RLHMZIYAIYDVCU-PWSUYJOCSA-N 298.224 3.703 0 40 CHAB CCc1ccc(NC(=O)CSc2nc(C)cs2)cc1 3413924 BVVUNVRAIPXIFK-UHFFFAOYSA-N 292.429 3.745 0 40 CHAB CCc1ccccc1NCc1nc(-c2ccco2)no1 62639859 WWPNLYWPMGKIEN-UHFFFAOYSA-N 269.304 3.504 0 40 CHAB CCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 13621571 IMKMWDZIDOKECU-UHFFFAOYSA-N 296.370 3.702 0 40 CHAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2nccs2)cc1 4986513 VAMLGIWUBKVHBK-NSHDSACASA-N 290.388 3.673 0 40 CHAB CC(=O)Nc1ccc(C(=O)COc2cc(C)cc(C)c2)cc1 6935789 GDYOOVHFHGIHQN-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB Cc1ccccc1NC(=O)CCc1ccc2c(c1)CCO2 68741284 HSWOHHRJPBZPEF-UHFFFAOYSA-N 281.355 3.501 0 40 CHAB O=C(/C=C/c1ccco1)NCc1cccc(C(F)(F)F)c1 9114192 JFVWLOBVTMWYTQ-VOTSOKGWSA-N 295.260 3.628 0 40 CHAB c1cc(N[C@H]2CCc3ccccc32)cc(-c2nc[nH]n2)c1 97038198 VTXJRBDBNUKDLF-INIZCTEOSA-N 276.343 3.571 0 40 CHAB Cc1cccc(C)c1NC(=O)c1ccc(F)c(F)c1F 28210575 YZZPXFURCBHFMH-UHFFFAOYSA-N 279.261 3.973 0 40 CHAB Cc1nnc(SCc2csc(-c3ccoc3)n2)s1 78566231 IAYMAWXRTUXMRE-UHFFFAOYSA-N 295.414 3.855 0 40 CHAB Cc1ccc(CN[C@@H](C)c2ccco2)c(N(C)C)c1 95969123 QTJVPUGENJOOOM-ZDUSSCGKSA-N 258.365 3.505 0 40 CHAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20035705 MSCYABMTQBBOHY-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB c1cnc2[nH]c(C3CC3)c(CN3CCCCCC3)c2c1 72393357 XADWGCIWOWRFCA-UHFFFAOYSA-N 269.392 3.816 0 40 CHAB O=C(Nc1nccs1)c1cc(-c2ccco2)cs1 72243249 KQMQOJRJRRVIPQ-UHFFFAOYSA-N 276.342 3.717 0 40 CHAB COc1ccc(CC(=O)NCCC2=CCCCC2)cc1C 74959608 FFDPOLCRRFJCFU-UHFFFAOYSA-N 287.403 3.553 0 40 CHAB CCc1cc(N)cc2nc(Cc3ccccc3)oc12 73642635 PROXWVUQRWUBRY-UHFFFAOYSA-N 252.317 3.563 0 40 CHAB Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1 40431053 BYMDGQZMHMAQIC-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C 225640534 LJTRNDLBJJZLJN-IIAWOOMASA-N 257.377 3.530 0 40 CHAB O=C(CCC(=O)c1cccs1)c1ccc(F)cc1 225663959 WYZUABDVPQDIKJ-UHFFFAOYSA-N 262.305 3.733 0 40 CHAB O=C(c1ccco1)N1CCC[C@H](c2cc(F)ccc2F)C1 190285044 GBKUQWJYVOUOOC-NSHDSACASA-N 291.297 3.578 0 40 CHAB Cc1cc(C(=O)c2cc(F)cc(F)c2)ccc1F 43210197 DHVZWKOYKKGNKV-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB COc1ccc(CCNC(=O)c2cc(C)c(C)cc2C)cc1 225640443 QYIBSDJXXPOTIM-UHFFFAOYSA-N 297.398 3.593 0 40 CHAB CCOC(=O)Cc1cccc(-c2nc3ccccc3o2)c1 41127590 UPIIYSPJYJHGAT-UHFFFAOYSA-N 281.311 3.600 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 227509848 NULHJLDBQDFZDV-IIDMSEBBSA-N 271.404 3.940 0 40 CHAB CC(C)Cn1cc(-c2ccc(N)c3ccccc23)cn1 85390876 XBLSIYRVYBBHNC-UHFFFAOYSA-N 265.360 3.942 0 40 CHAB CCOC(=O)CCCCOc1ccc(Cl)c(F)c1 95734032 SHGXFTCAUXENQD-UHFFFAOYSA-N 274.719 3.591 0 40 CHAB Clc1cccc(C2=NN(c3ccccc3)CC2)c1 255188046 ILGKFKDZUWNZAN-UHFFFAOYSA-N 256.736 3.954 0 40 CHAB Cc1cc(NCc2cccc(F)c2F)nn1CC(C)C 256055030 YVLBEQXCNROJGJ-UHFFFAOYSA-N 279.334 3.738 0 40 CHAB Cc1nn(CC(C)C)cc1NCc1cnn(C(C)C)c1C 256052495 NNIQHIVZARNPEJ-UHFFFAOYSA-N 289.427 3.545 0 40 CHAB COc1ccc2c(Cl)ncc(Br)c2c1 95643060 LJKJHHPPTUPMKA-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB COc1ccc2cc(C(=O)N[C@H](C)c3ccccc3)[nH]c2c1 5321869 QGANYZYLUSLAOL-GFCCVEGCSA-N 294.354 3.668 0 40 CHAB COc1ccccc1OC(=O)Cc1ccc2ccccc2c1 14472329 RBXZMFYUMAWMMB-UHFFFAOYSA-N 292.334 3.997 0 40 CHAB COc1ccc([C@@H](C)NC(=O)c2ccccc2C)cc1F 19312123 PTLOEQUORDIUML-GFCCVEGCSA-N 287.334 3.634 0 40 CHAB Fc1cc(-c2cccc([C@@H]3CCCN3)n2)ccc1Cl 2037873602 ZIYOZWWOZFGXGN-AWEZNQCLSA-N 276.742 3.966 0 40 CHAB Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 1504739 VGUWUYGPWXGGMN-NSHDSACASA-N 286.400 3.829 0 40 CHAB COc1ccc(C(F)(F)F)cc1C(=O)C(C)(C)C 575242807 IRPOWZWJNDMUAV-UHFFFAOYSA-N 260.255 3.943 0 40 CHAB CC1(C)C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 3200253 ZUWUBMKCDVTZBY-UHFFFAOYSA-N 299.757 3.805 0 40 CHAB CC(C)c1noc([C@H](C)Sc2nccn2C2CC2)n1 40059774 ZTZPFZRIUZAWBH-VIFPVBQESA-N 278.381 3.578 0 40 CHAB Cc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1N 20156638 CGHBVJSHYPWURD-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB CCc1nc(Cl)c2c3c(sc2n1)CCCC3 402609 DSIDAKPWUCMMND-UHFFFAOYSA-N 252.770 3.786 0 40 CHAB O=C(CCCCC(=O)Oc1ccccc1)Oc1ccccc1 2572112 BDIFKMOUQSYRRD-UHFFFAOYSA-N 298.338 3.758 0 40 CHAB O=C1CC2(CCCCC2)CC(=O)N1c1cccc(Cl)c1 1718174 VXBIWBNUDXERPX-UHFFFAOYSA-N 291.778 3.944 0 40 CHAB Cc1ccc(COC(=O)Cc2coc3cc(O)ccc23)cc1 4918019 JCKXMLKHYDSSHK-UHFFFAOYSA-N 296.322 3.733 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32818737 JGBAGSHEFSYHMD-KOLCDFICSA-N 272.348 3.720 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c(C)c1 59351596 AGTDDKNOJBFIPJ-HZPDHXFCSA-N 297.398 3.948 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1ccn(-c2ccccc2)n1 33145537 KCRMZPBYIYOQGG-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB COc1ccc(-c2cc(-c3ccc(OC)cc3)[nH]n2)cc1 500720 HRDCRGDKFGHPHP-UHFFFAOYSA-N 280.327 3.761 0 40 CHAB CCn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 520919 WSEIMIJKCZKCLO-UHFFFAOYSA-N 294.398 3.688 0 40 CHAB O=C(NCc1ccccc1)c1c(Cl)cccc1Cl 2747126 JENWZSPUNSRLGA-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB CCC(CC)C(=O)N(C)c1ccc(-c2ccccc2)nn1 89943058 YHHDICIABFZRRG-UHFFFAOYSA-N 283.375 3.543 0 40 CHAB CCCCc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 55049935 WLWWIKGAEARAOQ-UHFFFAOYSA-N 295.429 3.556 0 40 CHAB CCc1ccccc1NC(=O)N[C@H]1CCC[C@H](C)C1 43401655 BVHNCNRYDIZCLM-JSGCOSHPSA-N 260.381 3.949 0 40 CHAB O=C1c2ccsc2SCCN1Cc1cccc(F)c1 1402078 ITFPCNFXUICCDR-UHFFFAOYSA-N 293.388 3.635 0 40 CHAB Cc1ccnc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c1 12533831 MHKLXZYTKVGURG-GXTWGEPZSA-N 284.359 3.678 0 40 CHAB COCCCNC(=O)c1ccccc1Nc1ccc(C)cc1 12522811 UCYJWUKPAUWZRC-UHFFFAOYSA-N 298.386 3.505 0 40 CHAB Cc1ccc([C@@H](C)N(C)Cc2c(C)noc2C)cc1 47960143 YOANJQWWHUWASB-CYBMUJFWSA-N 258.365 3.793 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCC[C@H](C)C1 22519220 IIWYGEHIVMQZDT-BBRMVZONSA-N 289.419 3.719 0 40 CHAB CSCc1c(C(=O)N2CCCC2)oc2ccccc12 58283497 RHPHBFAQDGDQMO-UHFFFAOYSA-N 275.373 3.532 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1C(F)(F)F 12857358 DUFCRFFCIIGWDL-PSASIEDQSA-N 257.255 3.608 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2ccc(C)cc2)c1 3548061 NIHIIEKWTJNELH-DHZHZOJOSA-N 267.328 3.656 0 40 CHAB CCN(CC)C(=O)c1cc2cc(F)ccc2s1 12914178 BNYNQBDQUBKMCP-UHFFFAOYSA-N 251.326 3.522 0 40 CHAB CCC[C@@H](Nc1nnnn1-c1ccccc1)c1ccccc1 8204901 VKJGOALKVDIAOM-MRXNPFEDSA-N 293.374 3.616 0 40 CHAB Cc1occc1C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 16990599 VSTNGXCYHCGKLZ-KBPBESRZSA-N 263.381 3.923 0 40 CHAB COc1ccccc1C[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 65621188 OFULDELIJMZMNC-NVXWUHKLSA-N 299.414 3.585 0 40 CHAB Cc1ccc(C(C)C)cc1OCc1ccc(C(N)=O)cc1 14280754 HDTGHUJFPGLJCG-UHFFFAOYSA-N 283.371 3.796 0 40 CHAB Cc1ccc(OCCC(=O)Nc2ccc3c(c2)CCC3)cc1 6560478 JVLJWZXUGJOENO-UHFFFAOYSA-N 295.382 3.891 0 40 CHAB COCc1ccc(CNc2ncc(C(C)C)s2)o1 97114528 VNIXNNLDOGWDFI-UHFFFAOYSA-N 266.366 3.618 0 40 CHAB CC(C)N(C1CCCC1)S(=O)(=O)/C=C/c1ccccc1 78551625 JTHOSJZUFNKACR-OUKQBFOZSA-N 293.432 3.640 0 40 CHAB C[C@H]1C[C@H](C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)CCC1=O 95461507 RLYIJPZIICZOPK-NEBZKDRISA-N 290.403 3.527 0 40 CHAB CN(Cc1cccs1)C(=O)CSc1ccccc1F 39978331 KRLSJHQAVHGZBF-UHFFFAOYSA-N 295.404 3.638 0 40 CHAB Cc1ccc2[nH]c(C(=O)NCCCc3ccccc3)cc2c1 35558562 PCTGSKPQDXOESS-UHFFFAOYSA-N 292.382 3.839 0 40 CHAB Cc1ccc(/C=C/C(=O)NCCOc2ccccc2C)cc1 71989064 VBYLMOROZIFOIF-VAWYXSNFSA-N 295.382 3.512 0 40 CHAB CN(c1ccccc1)c1ncccc1C1=NCCCC1 72214269 CKTGMTLBCICPJG-UHFFFAOYSA-N 265.360 3.823 0 40 CHAB Clc1ccccc1CN1CCCC[C@@H]1c1ccncn1 72384976 BAKLKTNEDOFFLA-MRXNPFEDSA-N 287.794 3.857 0 40 CHAB O=C(O)[C@H](Cc1ccc(F)cc1)Oc1ccc(Cl)cc1 73311522 SMVSZIQBLBEBJB-AWEZNQCLSA-N 294.709 3.554 0 40 CHAB CCCN1CCCC[C@H]1c1ccc(Br)nc1 72211572 HKGCSDXWVBYDLC-LBPRGKRZSA-N 283.213 3.781 0 40 CHAB CNc1cc(C)c2oc(-c3ccccc3F)nc2c1 226270416 CLAITTHEHGZJPM-UHFFFAOYSA-N 256.280 3.984 0 40 CHAB Cc1ccc(Nc2ccc(Br)cn2)cc1 42249356 ISYHMLSUWVEHTF-UHFFFAOYSA-N 263.138 3.896 0 40 CHAB CC(C)c1ccc(-n2ncc3c2C[C@@H](C)CC3=O)cc1 199733913 KVWOJMJOAYFOSF-GFCCVEGCSA-N 268.360 3.761 0 40 CHAB CSc1cccc(NC(=O)c2cnc(C3CC3)nc2C)c1 222566111 OAGWUHZNRYGFEW-UHFFFAOYSA-N 299.399 3.637 0 40 CHAB CC(C)CNC(=S)Nc1ccc(OC2CCCC2)cc1 225276403 WUGLIOITMZQOBU-UHFFFAOYSA-N 292.448 3.950 0 40 CHAB Cc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1C 43210454 ZAAZPLQLZPHNTA-UHFFFAOYSA-N 288.368 3.641 0 40 CHAB CCCCCNC(=S)Nc1ccc2sncc2c1 225173099 YCVHCOSEZZDZJR-UHFFFAOYSA-N 279.434 3.773 0 40 CHAB CC1(C)OC(C)(C)c2cc(Br)ccc21 96171769 VQKUELSUMPDRQO-UHFFFAOYSA-N 255.155 3.950 0 40 CHAB N[C@@H]1CCCCc2c1[nH]c1ccc(Br)cc21 96978877 UFGUZGRZKTZRAB-LLVKDONJSA-N 279.181 3.657 0 40 CHAB O[C@@H](c1cc(Cl)ccc1Br)C(F)(F)F 85221586 ARBZCUASJIPAGT-ZETCQYMHSA-N 289.478 3.698 0 40 CHAB C1=CN2C[C@@H](c3ccc4ccccc4c3)N=C2S1 117648944 ISLAKABVTJWHLB-AWEZNQCLSA-N 252.342 3.771 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 13613854 WYLNVEYHKHBZEV-GJZGRUSLSA-N 295.382 3.740 0 40 CHAB Cc1cccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)c1 226309367 WUKZMHGSLSEIRS-UHFFFAOYSA-N 297.383 3.748 0 40 CHAB COc1cc(-c2cc(=O)c3cc(C)c(C)cc3o2)ccc1O 20272622 OFMUPBOPFQVESP-UHFFFAOYSA-N 296.322 3.791 0 40 CHAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)C1CCC1 575609333 WATVKMQLJXFEHK-UHFFFAOYSA-N 295.386 3.625 0 40 CHAB CCCn1c(C)cc(-c2csc(NCCOC)n2)c1C 7843509 BJODBRVFOWSZTD-UHFFFAOYSA-N 293.436 3.697 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)c1)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12 100065671 SAILSUJYPAJUGC-NRMKKVEVSA-N 295.304 3.936 0 40 CHAB C[C@H]1Cc2ccccc2[C@@H](CCc2ccccc2)N1 3208766 GWHXMUJKGXTFTL-KBXCAEBGSA-N 251.373 3.895 0 40 CHAB biogenic COc1cccc(NC(=S)NCCC2=CCCCC2)c1 2698116 PJAONFPWTXJRFG-UHFFFAOYSA-N 290.432 3.872 0 40 CHAB O=C(Nc1ccncc1)Nc1ccc(Cl)cc1F 20435917 XFRMGCIJQHEBMV-UHFFFAOYSA-N 265.675 3.518 0 40 CHAB CC(C)(C)c1ccccc1NC(=O)NCc1cccnc1 40526135 YAUXVKFUAXAVHQ-UHFFFAOYSA-N 283.375 3.701 0 40 CHAB COC(=O)[C@H]1C[C@@H]1c1ccc(-c2ccccc2)cc1 1857793759 IMHNLFFAEHEJAQ-CVEARBPZSA-N 252.313 3.630 0 40 CHAB CCOc1nc(C)ccc1-c1noc(-c2ccc(C)cc2)n1 498725 DAVHNMCCIKUDQB-UHFFFAOYSA-N 295.342 3.814 0 40 CHAB Cc1ccc(NC(=O)COc2c(C)cccc2C)c(C)c1 516396 WRZHQGRIDQCVIG-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB COc1cc2c(cc1[C@H](C)c1ccc(C)cc1)OCO2 1584163 FAMMEBNJNOSMLA-GFCCVEGCSA-N 270.328 3.884 0 40 CHAB CCCSc1nn2cc(-c3ccccc3)nc2s1 1791798 CMLVELXRQMSSDD-UHFFFAOYSA-N 275.402 3.960 0 40 CHAB COc1ccc(-c2ccn3c(n2)nc2ccccc23)cc1 20731273 UQCSTYRPHWFVAO-UHFFFAOYSA-N 275.311 3.558 0 40 CHAB O=C(Nc1cccnc1)c1cccc2c3c([nH]c12)CCCC3 32796401 KNOOSJFEBQUIBE-UHFFFAOYSA-N 291.354 3.694 0 40 CHAB CC(C)=CC(=O)Nc1ccc2oc(C3CC3)nc2c1 33213884 OERHPRZTSQRYFP-UHFFFAOYSA-N 256.305 3.610 0 40 CHAB CC(C)c1ccc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc1 9188943 QOFHQLDEVVBGJQ-CHWSQXEVSA-N 277.433 3.595 0 40 CHAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2nnsc2Cl)o1 53426524 SBMVWOYKJXBCSA-WCBMZHEXSA-N 297.811 3.540 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)o1 42009990 OEIOXKCLFOCCRQ-AWEZNQCLSA-N 255.317 3.565 0 40 CHAB O=C(N[C@H](c1ccccc1)c1ccccn1)C1CCCCC1 12527829 NQLQBCDOSXCIAZ-GOSISDBHSA-N 294.398 3.868 0 40 CHAB O=C(CC(=O)C(F)(F)F)c1cc2ccccc2s1 100475014 UGWUCJYFRPNSHU-UHFFFAOYSA-N 272.247 3.606 0 40 CHAB COc1ccc(-c2ccc3c(OC)ccc(OC)c3n2)cc1 1402287 MOCVCMVEJBCIGN-UHFFFAOYSA-N 295.338 3.928 0 40 CHAB CCOc1ncccc1NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 27581246 JKKHVGLXNFSZHZ-OCCSQVGLSA-N 288.391 3.657 0 40 CHAB Cc1ccccc1N1C(=O)c2cc3ccccc3cc2C1=O 408734221 HSTYGNHJGIZHRX-UHFFFAOYSA-N 287.318 3.949 0 40 CHAB CC[C@H](C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 12981404 PNWQTSXWAQTERF-JTQLQIEISA-N 292.379 3.858 0 40 CHAB OCCCC[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@H]21 4027138 SOMZBPWPSAMGPQ-TWMKSMIVSA-N 264.409 3.833 0 40 CHAB biogenic O=C(OCc1ccc(Cl)cc1)c1n[nH]c2ccccc12 6370893 ADMGOZDLTVKYNK-UHFFFAOYSA-N 286.718 3.573 0 40 CHAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)C1CC1 14139539 BBRMBMRGEOIPMV-NSHDSACASA-N 280.371 3.641 0 40 CHAB Cc1cccc(OCCOc2ccc(-c3nnco3)cc2)c1 66059030 WYVNLUBDJQDFKQ-UHFFFAOYSA-N 296.326 3.503 0 40 CHAB COc1ccc(CCC(=O)N2CCCc3ccccc32)cc1 5937056 RAZJCYIGUAIPSC-UHFFFAOYSA-N 295.382 3.607 0 40 CHAB Cc1nc2c(C)cccc2c(O)c1CN1CCC[C@@H](C)C1 8911508 TXRBYAROTFFCQP-GFCCVEGCSA-N 284.403 3.789 0 40 CHAB Cc1nc2c3ccccc3nc(SCCC(C)C)n2n1 9483525 ZIBGPRNYAFCRBP-UHFFFAOYSA-N 286.404 3.724 0 40 CHAB O=C1c2cc3ccccc3nc2CN1c1ccc(F)cc1 96319269 PGFAKVRXONEQCG-UHFFFAOYSA-N 278.286 3.534 0 40 CHAB CCC[C@H](C)C(=O)N(Cc1cccnc1)Cc1ccco1 71835423 LMHWORLCKINOMQ-AWEZNQCLSA-N 286.375 3.640 0 40 CHAB C[C@H](C1CC1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 95348942 YZJNPSNWVIDGJT-GFCCVEGCSA-N 296.414 3.917 0 40 CHAB Cc1ccc(CNCc2ccccn2)c(OC(C)(C)C)c1 84958753 XEMBYTLXGWARQC-UHFFFAOYSA-N 284.403 3.857 0 40 CHAB CC/C=C(\C)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 98055137 QZHKVPBDYZSAJO-RBBXRFMQSA-N 257.377 3.919 0 40 CHAB O=C(NCCc1nc2ccccc2s1)C1CCCCC1 32741152 GRSXZGOKELRVDC-UHFFFAOYSA-N 288.416 3.535 0 40 CHAB Cc1cccc(NC(=O)NCCOc2ccccc2)c1C 35597147 YHLJFOASUMJZPP-UHFFFAOYSA-N 284.359 3.504 0 40 CHAB CCOc1ccc(C(=O)c2cncc3ccccc23)cc1 45028904 XGKNADGEQZXDPJ-UHFFFAOYSA-N 277.323 3.865 0 40 CHAB CC(C)n1c([C@@H](C)O)nc2cc(C(F)(F)F)ccc21 40417298 AXDKZQDFWNXCOG-MRVPVSSYSA-N 272.270 3.689 0 40 CHAB Cc1cc(N)cc(-c2nc3c(C)cccc3s2)c1O 45946643 GZFVYHSRGPFGEG-UHFFFAOYSA-N 270.357 3.868 0 40 CHAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)CC(C)C 224339973 BDNOBMJZYXWONX-UHFFFAOYSA-N 299.374 3.870 0 40 CHAB FC(F)(F)C(F)(F)S/C=C/Br 91252529 TVTFXVNPCYIQIN-OWOJBTEDSA-N 257.021 3.741 0 40 CHAB CC[C@H](C)n1nccc1CNc1cnn(C2CCCC2)c1 256050372 DULXXFDLOKNOCV-ZDUSSCGKSA-N 287.411 3.778 0 40 CHAB COc1c(C(=O)Nc2ccccc2)oc2ccccc12 252482586 DJSRNOHLONAERP-UHFFFAOYSA-N 267.284 3.694 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CC=CCC1 52988378 WMPQSAXTDBEOKI-NWDGAFQWSA-N 261.390 3.550 0 40 CHAB C[C@@]12C[C@H]3C[C@@](C(=O)O)(C1)C[C@@](c1ccccc1)(C3)C2 100099926 LOOOKAIQHTUJFC-BVPBIZIASA-N 270.372 3.999 0 40 CHAB COc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 128534 JRAMFTJOIYKHIM-UHFFFAOYSA-N 296.414 3.772 0 40 CHAB CC1=CCN(c2ccccn2)O[C@@H]1c1ccccc1 13214734 AGQPVKZKNMAYHH-INIZCTEOSA-N 252.317 3.521 0 40 CHAB C[C@H]1C[C@@H](C)Cc2ccc(CO)c(/C=C/C=C/C(=O)O)c21 13372827 XVNDJROXVPBPBY-UADZDCLQSA-N 286.371 3.519 0 40 CHAB NC(=O)[C@H](SCc1ccc(Cl)cc1)c1ccccc1 14079651 BKNOCQRALQSVTE-CQSZACIVSA-N 291.803 3.800 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(F)cc1 15686185 FXTMEFJDEPZLMU-ZDUSSCGKSA-N 271.335 3.554 0 40 CHAB c1sc(C2CC2)nc1CN1CCC(=C2CC2)CC1 575607116 VAKCTACKLVPSKG-UHFFFAOYSA-N 260.406 3.707 0 40 CHAB Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 1504742 VGUWUYGPWXGGMN-LLVKDONJSA-N 286.400 3.829 0 40 CHAB COc1c(F)c(F)c2c(c1F)Oc1ccccc1C=N2 3156849 LQCJLUULLTVJAF-UHFFFAOYSA-N 279.217 3.969 0 40 CHAB C[C@H]1C[C@H](C)CN(c2csc3ccc(F)cc3c2=O)C1 5202675 BZFWPSWCUFPRIP-QWRGUYRKSA-N 291.391 3.883 0 40 CHAB CCCCc1ccc(C(=O)CCCCC(=O)OC)cc1 575357850 WSSZKHFYCZRKCW-UHFFFAOYSA-N 276.376 3.945 0 40 CHAB Nc1ccc(Oc2ccccc2)c(-n2cccc2)c1 8702390 MVYCBLRBRXIESL-UHFFFAOYSA-N 250.301 3.852 0 40 CHAB C[C@H]1CN(c2nc(-c3ccc(F)cc3)cs2)C[C@@H](C)O1 16425207 MUROXLDNBJXKAX-PHIMTYICSA-N 292.379 3.563 0 40 CHAB O=C(Nc1ccc2ccccc2n1)c1ccc(F)c(F)c1 40043321 KMRHYKQQSVOBMV-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB CC1CCC(NC(=O)Nc2cccc(OC(F)F)c2)CC1 40120537 KWNHVGQVTJTSRF-UHFFFAOYSA-N 298.333 3.988 0 40 CHAB COc1ccc(-c2cc3ccccc3nc2N)cc1OC 20388628 UIBMFNCZKLYSBR-UHFFFAOYSA-N 280.327 3.501 0 40 CHAB CC(C)CC(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 32088357 APXKKVSCERLBHF-UHFFFAOYSA-N 270.376 3.705 0 40 CHAB CCCc1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794697 HKFKFDMYXARRBY-UHFFFAOYSA-N 293.164 3.604 0 40 CHAB Cc1ccc(C)c(C(=O)c2cccc(CN3CCC3)c2)c1 2515123 AYAXWFWVXVLOMQ-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB c1ccc(-n2cc(NCc3csc(C4CC4)n3)cn2)cc1 92568478 WKFOLXSOLRBVKD-UHFFFAOYSA-N 296.399 3.818 0 40 CHAB CCCCCNC(=O)Nc1cccc(Cl)c1C 1640305 LPGRSHVTRQASOK-UHFFFAOYSA-N 254.761 3.960 0 40 CHAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1CCCC1 7950809 JLAJPXGMCBRPGN-UHFFFAOYSA-N 297.402 3.891 0 40 CHAB COc1ccc(C2=NO[C@@H](c3ccc(C)cc3)C2)cc1 32934864 ILXYEENTFHYIFP-QGZVFWFLSA-N 267.328 3.869 0 40 CHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(N)cc1 8615000 XUEHUKMVOSJLFC-VBNZEHGJSA-N 275.392 3.886 0 40 CHAB CC(C)Nc1c(F)cc(F)cc1Br 37392738 YFENDDGSLYTEQS-UHFFFAOYSA-N 250.086 3.548 0 40 CHAB CC(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 103447860 DZOKHJLSFKOOIC-GDZNZVCISA-N 274.408 3.559 0 40 CHAB CCOc1ccc(C(=O)N(CC(C)C)CC(C)C)cc1 1469258 QBKKHYNOLQNOQK-UHFFFAOYSA-N 277.408 3.840 0 40 CHAB O=C(NC1CCCCCC1)[C@H]1C[C@H]1c1ccccc1 1480363 LPWHOULVAUYTTM-HOTGVXAUSA-N 257.377 3.629 0 40 CHAB C[C@@H](Cc1cccs1)NC(=O)Nc1ccccc1 3211532 MMOWDBQIGUAYOF-NSHDSACASA-N 260.362 3.501 0 40 CHAB CC[C@@H](C(=O)Nc1cccc(COC)c1)c1ccccc1 25335835 ARALMRLLZVBZQV-QGZVFWFLSA-N 283.371 3.965 0 40 CHAB O=C(O)C1(c2csc(-c3ccccc3)n2)CCCC1 57569393 PSZQGLPSTYMKDJ-UHFFFAOYSA-N 273.357 3.707 0 40 CHAB CCc1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1 1935202 FMCOLDXNKCTCOZ-UHFFFAOYSA-N 288.778 3.953 0 40 CHAB Nc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 20343432 ZITNUDTVCBGFED-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1 48412022 LLCNVCBCEVNRCS-OAHLLOKOSA-N 271.747 3.757 0 40 CHAB COc1ccc2ccccc2c1CNc1cncc(Cl)n1 64905713 HCMYURZMCROGOB-UHFFFAOYSA-N 299.761 3.904 0 40 CHAB CC(C)(C)n1nccc1-c1cc(F)c(F)cc1F 82048739 GHWSJZNDLMYABE-UHFFFAOYSA-N 254.255 3.722 0 40 CHAB Cc1cc(C)cc(CN[C@@H](CN(C)C)c2ccccc2)c1 49900532 CLEJVXUTFXKMCI-IBGZPJMESA-N 282.431 3.696 0 40 CHAB COCCNC(=S)Nc1c(C(C)C)cccc1C(C)C 13841093 JOYMXRRRABOLGV-UHFFFAOYSA-N 294.464 3.866 0 40 CHAB CC(C)(C)C1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 6818731 XSSUGDDEJCYKEF-UHFFFAOYSA-N 284.403 3.538 0 40 CHAB COc1ccc(-c2csc(-c3cccnc3)n2)c(OC)c1 19620739 SVAZUEOXFGVURQ-UHFFFAOYSA-N 298.367 3.889 0 40 CHAB FC(F)(F)c1ccnc(N2CCC[C@H]2c2cccs2)n1 84437163 FNMUQLBESMWBIU-VIFPVBQESA-N 299.321 3.898 0 40 CHAB Cc1ccc(-c2nc(COc3ccc(C)cn3)co2)cc1 77240607 BGFSKUWAISWDAZ-UHFFFAOYSA-N 280.327 3.932 0 40 CHAB CCOCCCC(=O)N1[C@@H](C)CCC[C@H]1c1ccccc1 79059968 YYGNUYPTLQGKDC-RDJZCZTQSA-N 289.419 3.945 0 40 CHAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1ccccc1 79484092 PAMDRISNUQZYKT-UHFFFAOYSA-N 277.327 3.693 0 40 CHAB CC(C)n1cnnc1S[C@@H](C)c1nc2ccccc2o1 95993748 JEZQPTNXBRAAKQ-JTQLQIEISA-N 288.376 3.854 0 40 CHAB Cc1nn(-c2ccccc2)c(N)c1-c1ccc(F)cc1 22126322 CVTGLRPZNVXVCS-UHFFFAOYSA-N 267.307 3.569 0 40 CHAB Cc1ccc(NC(=O)c2noc3c2CCCCC3)cc1F 20395527 AYIUBFOPSATWLZ-UHFFFAOYSA-N 288.322 3.643 0 40 CHAB Cc1ccc(-c2nnc(-c3cnc(C(C)C)nc3C)o2)cc1 216604074 JGNOIQINORWFQO-UHFFFAOYSA-N 294.358 3.934 0 40 CHAB Fc1cc(Br)cc(OCC(F)(F)F)c1F 39325852 MTBBOJFBRGIUHC-UHFFFAOYSA-N 291.013 3.668 0 40 CHAB CC(C)N(c1ncccc1[C@H]1CCCCN1)C(C)C 72213029 WYPPABJRQGMXLY-OAHLLOKOSA-N 261.413 3.519 0 40 CHAB Brc1ccc(Cc2nc3ncccc3o2)cc1 73638999 QYLKMFFJOXLHFA-UHFFFAOYSA-N 289.132 3.576 0 40 CHAB CCCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1Cl 225605046 DZAKHDHKYPEOAU-HNNXBMFYSA-N 299.798 3.882 0 40 CHAB CC[C@H](NC(=S)Nc1cccnc1)c1ccccc1 225482515 TXCVNGOQMCBNAG-AWEZNQCLSA-N 271.389 3.519 0 40 CHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OC(C)C)cc1 225649174 KQXWRKXLMSBEKG-MRXNPFEDSA-N 279.380 3.618 0 40 CHAB CC[C@@H](N)c1cc2ccccc2n1C(=O)OC(C)(C)C 96509790 ASFMTXUFPSDTNE-GFCCVEGCSA-N 274.364 3.834 0 40 CHAB O=C1NC(=S)/C(=C/Nc2ccc3ccccc3c2)S1 618254856 HZBWLOFKIWTJRQ-WQLSENKSSA-N 286.381 3.877 0 40 CHAB Cc1ccc(C)c(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260659321 XJQAVJKSOFJMHN-KCQAQPDRSA-N 274.433 3.778 0 40 CHAB COc1ccc(C(=O)C(Cl)(Cl)Cl)cc1C 382674665 LEOLGUBQNIDWMB-UHFFFAOYSA-N 267.539 3.557 0 40 CHAB O=C(NCCc1ccoc1)C1(c2cccs2)CCCC1 90607400 YCORYPVROKWVLG-UHFFFAOYSA-N 289.400 3.512 0 40 CHAB COc1cc(OC)cc(C(=O)c2cccc(SC)c2)c1 95917207 GCEDBRGNUJYSPZ-UHFFFAOYSA-N 288.368 3.657 0 40 CHAB CSc1ccc(C(=O)c2ccc(N(C)C)cc2)cc1 95916760 JPHPCZCEUKHCGY-UHFFFAOYSA-N 271.385 3.706 0 40 CHAB CCC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 70015558 NJLAFTMPQMGHAX-UHFFFAOYSA-N 296.248 3.880 0 40 CHAB O=C1N=C2C=CC=CN2/C1=C/c1ccc(Cl)cc1Cl 3013256 LKVNOWQPJZQYFA-KPKJPENVSA-N 291.137 3.659 0 40 CHAB CN1C(=O)/C(=C/C2=Cc3ccccc3OC2)c2ccccc21 8091810 TWAQEEJREFKNCS-LFIBNONCSA-N 289.334 3.522 0 40 CHAB COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1CC(C)=C(C)C3 5158863 OYGGFLRVKPKVSI-XUVXKRRUSA-N 297.442 3.940 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1ccccc1F 5467118 IRLQASDTWHMTCO-GFCCVEGCSA-N 251.345 3.772 0 40 CHAB CCCCCNC(=S)Nc1ccc(C)cc1C 13818914 SWDQOBBJJIXHFF-UHFFFAOYSA-N 250.411 3.780 0 40 CHAB Cc1ccc(NCC(=O)Nc2ccccc2Cl)cc1 19773246 LWTUNGKJMKRAEN-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 5577726 WHRBBGCNXIFELL-ZHACJKMWSA-N 294.354 3.605 0 40 CHAB C[C@]1(O)c2ccccc2-c2ccc(Br)cc21 2113474287 DRHZPKMRBSAXAU-AWEZNQCLSA-N 275.145 3.685 0 40 CHAB O[C@@H](CN1CC=C(c2ccccc2)CC1)c1cccc(F)c1 51112458 LIBWANYWGXZZGO-IBGZPJMESA-N 297.373 3.648 0 40 CHAB Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1 36753351 ZAIUMGPYWKFFGO-UHFFFAOYSA-N 269.329 3.580 0 40 CHAB Cc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 29482546 OYEJRESJVGFPIJ-GOSISDBHSA-N 294.398 3.553 0 40 CHAB Cn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1F 819104 WMPAOPFXYJIUKQ-UHFFFAOYSA-N 299.324 3.977 0 40 CHAB CN(C)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 46216409 MLSJMQJKXXOPCX-UHFFFAOYSA-N 298.430 3.908 0 40 CHAB CCN(CC)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 4416394 KHAVOAZXCFZPQI-YCPHGPKFSA-N 253.430 3.560 0 40 CHAB Cc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 2640327 VQCBHSDTMDTNQF-UHFFFAOYSA-N 298.367 3.622 0 40 CHAB C1CCN(C[C@@H]2CO[C@@]3(CC[C@@H]4CCCC[C@@H]4C3)O2)CC1 4713522 XBGMCAWJVPHBRD-MLHJIOFPSA-N 293.451 3.574 0 40 CHAB C[C@@]12CC[C@@H]3c4cc(O)ccc4CC[C@@H]3[C@@H]1CC[C@@H]2O 4769220 YEOSPIFUAAHCPK-YECZKDOJSA-N 272.388 3.609 0 40 CHAB Cc1cc2c(Nc3ccc(N(C)C)cc3)ncnc2s1 4931975 XVPJGSQBBKSNIF-UHFFFAOYSA-N 284.388 3.809 0 40 CHAB Cc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C 7376095 ZQWPHGWYZGLSRU-UHFFFAOYSA-N 297.464 3.797 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102235945 IBWPVCBFEGOSML-MWQQHZPXSA-N 271.404 3.560 0 40 CHAB COc1ccc(OCCCC(=O)N(C)c2ccccc2)cc1 10287314 MHDRORHFHWBEQR-UHFFFAOYSA-N 299.370 3.517 0 40 CHAB COc1cc(OC)c2oc(C(=O)c3ccccc3)c(C)c2c1 2510899 GQKQOQSPMXMFLB-UHFFFAOYSA-N 296.322 3.989 0 40 CHAB O=C(N[C@H](c1ccccc1)c1ccco1)[C@@H]1C[C@H]2C=C[C@H]1C2 104200135 KUNKXRPNZWMCTE-KMANFZQXSA-N 293.366 3.697 0 40 CHAB O=C(Nc1nnc(C2CCCCC2)s1)c1cccs1 1278305 FYOGLJTWSQKRSO-UHFFFAOYSA-N 293.417 3.900 0 40 CHAB CCOCCCNC(=O)c1ccccc1Nc1ccccc1 12523027 QEMGBGYCZYUZQE-UHFFFAOYSA-N 298.386 3.587 0 40 CHAB COc1cccc([C@@H](C)NCc2ccc(C)s2)c1 37771644 WXKPKLAVKSNIAI-GFCCVEGCSA-N 261.390 3.916 0 40 CHAB OCc1cccc(OCc2cccc(Br)c2)c1 20031704 DWUDIRPOFLMJLV-UHFFFAOYSA-N 293.160 3.520 0 40 CHAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(F)c(F)c1 12748246 ZQHAFXGZXDWILL-MRVPVSSYSA-N 297.251 3.734 0 40 CHAB CCC[C@H](C)NC(=O)c1cc2c(C)cc(C)cc2[nH]1 12756436 QXSNNLTVWAJFLQ-LBPRGKRZSA-N 258.365 3.703 0 40 CHAB CC(=O)Nc1ccccc1OCc1nc2ccccc2s1 5111843 CZBHHOBXFCXZQZ-UHFFFAOYSA-N 298.367 3.834 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1F 6260666 HORHVTOYKQCLLA-UHFFFAOYSA-N 296.345 3.556 0 40 CHAB COc1ccc(CCNC(=O)C[C@H](C)c2ccccc2)cc1 6375548 WLSHWPLSDIVOBR-HNNXBMFYSA-N 297.398 3.548 0 40 CHAB Cc1ccc(F)c(NC(=O)c2ccc(F)cc2F)c1 5510089 SBDBKTSLQOSSPS-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 5702025 XYEKPVRUIBZGAH-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB C[C@H](NC(=O)Cc1cccs1)c1cc2ccccc2o1 8237500 MPNNGZCZDQGBHB-NSHDSACASA-N 285.368 3.914 0 40 CHAB Cc1ccc(CN[C@@H]2CCOc3ccccc32)cc1 19962720 BWQIDBABVNNJGX-MRXNPFEDSA-N 253.345 3.608 0 40 CHAB CCC[C@@H]1SCCN1C(=O)/C=C/c1c(F)cccc1F 76017308 PMMPAUCGCVNNPL-KIUWMYQTSA-N 297.370 3.680 0 40 CHAB C[C@H]1CCN(C(=O)NCc2ccco2)[C@@H](c2ccco2)C1 76082538 PNERRZFEBSPRMS-GXTWGEPZSA-N 288.347 3.555 0 40 CHAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)C1CC1 72401101 IQIPDPSGLYOXMI-UHFFFAOYSA-N 293.326 3.704 0 40 CHAB CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)nc(C)n2C 84735478 ZDPZSLXHDSUFAC-UKRRQHHQSA-N 299.418 3.580 0 40 CHAB COc1ccc2nc(S[C@H](C)C(F)(F)F)[nH]c2c1 79098644 MFLZUBKNCGEBCZ-ZCFIWIBFSA-N 276.283 3.614 0 40 CHAB COc1ccc(NC(=O)/C=C/c2cccc(C)c2)c(OC)c1 9954396 NFCDZVMHDNTHGO-JXMROGBWSA-N 297.354 3.664 0 40 CHAB Cc1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)cc1 216950150 MDCDYCLBNNWMGF-UHFFFAOYSA-N 293.322 3.645 0 40 CHAB OCc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 75411416 KCNCAOPYKMXPPZ-UHFFFAOYSA-N 259.692 3.641 0 40 CHAB Cc1cc(-c2nn3c(C(C)C)nnc3s2)sc1C 32070672 PQGFTTQUZFRNGP-UHFFFAOYSA-N 278.406 3.655 0 40 CHAB COC(=O)c1ccc(CC(C)C)n1Cc1ccccc1 226023316 QNKWUEILRQLNGR-UHFFFAOYSA-N 271.360 3.522 0 40 CHAB COC(=O)C[C@H](c1ccccc1)c1cc(C)ccc1OC 40448857 BJQJPTJDNINOMT-OAHLLOKOSA-N 284.355 3.699 0 40 CHAB COc1cccc2c1N(C(C)(C)C(=O)O)C(C)(C)C[C@@H]2C 223205348 NKFZOYWVYDILIL-NSHDSACASA-N 291.391 3.651 0 40 CHAB CC(C)Oc1cccc(NC(=S)NC(C)(C)C)c1 225275154 TVHNBOYAZSIOIC-UHFFFAOYSA-N 266.410 3.559 0 40 CHAB CC[C@@H](NC(=O)c1ccccc1)c1ccc(OC)c(C)c1 224673393 AMTDLRORENYICX-MRXNPFEDSA-N 283.371 3.885 0 40 CHAB CCOc1ccc(-c2cc(-c3cccnc3)[nH]n2)cc1 95094752 CWLVPUUAJBFXOC-UHFFFAOYSA-N 265.316 3.537 0 40 CHAB C/C(=C/c1ccccc1)C(=O)NC1CCC(F)(F)CC1 390831304 RDOFELOZSBDLIE-QXMHVHEDSA-N 279.330 3.784 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1ccc(Cl)c(Cl)c1 575357994 ZIVOWJRNUZKKEB-UHFFFAOYSA-N 275.131 3.518 0 40 CHAB O=c1[nH]c2ccccc2nc1/C=C/c1cccc(Cl)c1 7130353 QMOWONPQQVSJMC-CMDGGOBGSA-N 282.730 3.747 0 40 CHAB Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)on1 12422541 MWYRMLUNNXOPLJ-UHFFFAOYSA-N 271.103 3.542 0 40 CHAB O=C(c1ccc2c(c1)CCCC2)N1CCc2ccccc21 17337343 MXQBJWZHDPMWPJ-UHFFFAOYSA-N 277.367 3.768 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1N 19275678 XAWAMXIWGTZIFW-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Cc1cc2sc(NC(=O)C(F)(F)F)nc2cc1Cl 8053997 OHWZCDHQLCJMPT-UHFFFAOYSA-N 294.685 3.759 0 40 CHAB Cc1ccc(NC(=O)c2cccs2)c(Cl)c1 6852191 VYMMAMLCOOJLIX-UHFFFAOYSA-N 251.738 3.962 0 40 CHAB O[C@@H]1CCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1 37489626 XCIJQGOMBGCEDC-RBUKOAKNSA-N 281.399 3.602 0 40 CHAB Cc1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 8793833 RGNXRBUEFFRECG-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB O=C(Cc1ccccc1)c1cc(F)c(F)cc1F 203998905 TUYHHYCCYSFEFG-UHFFFAOYSA-N 250.219 3.529 0 40 CHAB CCOc1ccccc1C(=O)c1ccc(CC)cc1 37358204 CFSXJRYOOIUTLL-UHFFFAOYSA-N 254.329 3.879 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)o1 40459880 XAGFEZJHWXQFKB-NSHDSACASA-N 261.346 3.627 0 40 CHAB CC(C)[C@H](C)NCc1ccc(Br)cc1 20305321 UCQUNOICIBLDPY-JTQLQIEISA-N 256.187 3.583 0 40 CHAB CCc1ccc(OCC(=O)Nc2ccccc2CC)cc1 513680 JOAWUQCLSZTDNT-UHFFFAOYSA-N 283.371 3.829 0 40 CHAB O=C(c1ccccc1Cl)c1ccccc1CN1CCC1 2515624 FJALEJLHXMUOPP-UHFFFAOYSA-N 285.774 3.777 0 40 CHAB COc1ccc2c(c1)[C@H](CO)c1ccc(Cl)cc1N2 1597008 ZCOZGDIDYGUODA-CYBMUJFWSA-N 275.735 3.530 0 40 CHAB CN(C)CC[C@H](c1ccccc1)c1cc(Cl)ccn1 1598685 DMMWCJKQHYDWJU-OAHLLOKOSA-N 274.795 3.819 0 40 CHAB CC[C@@H](c1ccc(O)cc1)[C@](O)(CC)c1ccc(O)cc1 1600171 MGFPGOSFEBGPKB-ROUUACIJSA-N 286.371 3.889 0 40 CHAB Cc1ccccc1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102324057 SDDHDXWQRZMEKY-RZLSGREXSA-N 257.377 3.550 0 40 CHAB Cc1cc(C)cc(C(=O)NCc2ccccc2Cl)c1 2617075 LAHWIFTTYUDBEV-UHFFFAOYSA-N 273.763 3.887 0 40 CHAB COc1ccccc1NC(=O)c1cc2ccccc2nc1C 2628636 CMSNNWXQRCLLEX-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB O=C(OCc1cccnc1)c1cnc(-c2ccccc2)s1 42199243 XVYWJAOYEMFNBX-UHFFFAOYSA-N 296.351 3.562 0 40 CHAB CSc1ccc(COc2ccc(NC(C)=O)cc2)cc1 25004684 AWVNHAWUVCMPHT-UHFFFAOYSA-N 287.384 3.946 0 40 CHAB COC(=O)c1cc2ccccc2n1Cc1ccc(C)cc1 1402172 OPOKFHFXLUOVNH-UHFFFAOYSA-N 279.339 3.785 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]2CCCC[C@H]21 35165368 HTLHYTGYDQWPRZ-CXAGYDPISA-N 282.387 3.963 0 40 CHAB CCc1cccc2sc(NCc3cccnc3)nc12 26422508 HRLPGMAFQFGGRZ-UHFFFAOYSA-N 269.373 3.866 0 40 CHAB Sc1nnc(-c2sc3ccccc3c2Cl)[nH]1 27061863 IPIIYAASIHPLHK-UHFFFAOYSA-N 267.766 3.629 0 40 CHAB CC(C)C(NC(=O)COc1ccc(Cl)cc1)C(C)C 20239977 KGHBESKCACIZDA-UHFFFAOYSA-N 283.799 3.516 0 40 CHAB Cc1cccc(C(=O)NCCCn2ccc3ccccc32)c1 12608545 INNPXKXTWGJTDW-UHFFFAOYSA-N 292.382 3.770 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2ccnc(-c3ccccc3)n2)C1 58307493 KUPKGYGNEDCHNL-OKILXGFUSA-N 267.376 3.626 0 40 CHAB C(=C/c1ccc2ccccc2n1)\c1cn(-c2ccccc2)nn1 58323024 LVQYNIYKJOVQCF-OUKQBFOZSA-N 298.349 3.986 0 40 CHAB O=C(/C=C/c1cccc(F)c1)Nc1ccc2c(c1)CCC2 3556216 HONFJABEIVXZLM-JXMROGBWSA-N 281.330 3.966 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2ccc(C)s2)c1C 12952369 SVEPMAWGAGHNJE-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB CCCCNC(=O)N[C@@H](C)c1ccc(Cl)s1 13744928 LYSXHSZFQHTPKB-QMMMGPOBSA-N 260.790 3.562 0 40 CHAB CC(C)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 8739874 HVVDBJZWGRGPEU-UHFFFAOYSA-N 296.783 3.959 0 40 CHAB CON(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12 14169495 GJBRBFOAJXGMMF-UHFFFAOYSA-N 292.338 3.535 0 40 CHAB C=Cc1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1 6767418 XLZXIIAOYZDBFY-UHFFFAOYSA-N 288.350 3.602 0 40 CHAB O=C(NCCc1cccc(F)c1)c1cc2ccccc2o1 7123658 FNKJUSPQRPTVHU-UHFFFAOYSA-N 283.302 3.544 0 40 CHAB Cc1ccc(-c2nc3c(C)cccn3c2CC(=O)O)cc1C 19623995 ZFSNTFPQIWKXLO-UHFFFAOYSA-N 294.354 3.554 0 40 CHAB Clc1cccc(-c2csc(Nc3ncccn3)n2)c1 67321905 RPBIPBNWPLBFAY-UHFFFAOYSA-N 288.763 3.997 0 40 CHAB CC[C@H](C)n1cc(Br)c(COCC(C)C)n1 408716613 OWIIKFXBPWGULQ-JTQLQIEISA-N 289.217 3.789 0 40 CHAB CCOc1ccccc1C(=O)c1cc(F)c(F)c(F)c1 55240136 FMOPTGMDALCXGU-UHFFFAOYSA-N 280.245 3.734 0 40 CHAB Cc1cc(F)ccc1NS(=O)(=O)/C=C/c1ccccc1 7381949 MVIAJCPJSAECRR-MDZDMXLPSA-N 291.347 3.547 0 40 CHAB CNc1ncc([C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C 72218977 YNRKOYJQASBEOD-ZDUSSCGKSA-N 291.395 3.504 0 40 CHAB CCc1noc(-c2ccccc2NC(=O)C2CCCCC2)n1 33012695 XVCYNHPNTOMWLU-UHFFFAOYSA-N 299.374 3.818 0 40 CHAB CC(C)N(C(=O)c1c[nH]c2ccc(F)cc12)C(C)C 228928235 YYWKFWIHNRBSGK-UHFFFAOYSA-N 262.328 3.566 0 40 CHAB C[C@@H]1CC(C)(C)N(CC(=O)O)c2cc(Cl)ccc21 223828017 QBSOMGBCDHMMAU-SECBINFHSA-N 267.756 3.517 0 40 CHAB CCCCOc1ccc(NC(=O)C(F)(F)F)cc1C 225587643 OPIKHJJTXVIWFU-UHFFFAOYSA-N 275.270 3.675 0 40 CHAB Cc1cc(C)c(C)c(C(=O)C[C@@H](C)CC(=O)O)c1C 43214267 AFWWWMYRYICETD-SECBINFHSA-N 262.349 3.604 0 40 CHAB Cc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)nc1 45028553 SFYSGNNUXSHXRL-UHFFFAOYSA-N 253.345 3.919 0 40 CHAB CC1(C)COc2ccc([C@@H](O)c3cccs3)cc2OC1 225357272 IDZDQCSLNYJZBF-OAHLLOKOSA-N 290.384 3.627 0 40 CHAB c1ccc([C@H]2Cn3ccnc3CN2Cc2cccs2)cc1 257209581 BQYSERLCBBSRFZ-MRXNPFEDSA-N 295.411 3.702 0 40 CHAB C[C@H]1CN(C)C[C@@H](C)[C@]1(O)CCc1ccc2ccccc2c1 253603424 KMNOSAADKQHMHJ-CWPLJXCYSA-N 297.442 3.721 0 40 CHAB CC[C@H](C)Oc1ccc(OC)cc1Br 95915438 ROZXIYVAMNTRLK-QMMMGPOBSA-N 259.143 3.635 0 40 CHAB CCOc1ccc2nc(SCc3cc(C)on3)[nH]c2c1 5270202 QIYWMOBSFIYMPZ-UHFFFAOYSA-N 289.360 3.550 0 40 CHAB COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 12806118 UAECSRVSQLDHEK-OAHLLOKOSA-N 299.395 3.662 0 40 CHAB CC1(C)N=C(c2ccccc2)[C@H]2[C@H](c3ccccc3)N21 13139738 SMTPRAOVWHJEDI-NBJLRHFZSA-N 262.356 3.651 0 40 CHAB O=C(NCc1ccc(F)cc1)c1ccc(Cl)cc1F 15426053 ANTCKIYXJPEAFH-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc(C)cc1 15472103 QATRYSVTCYBWCB-LHNRBYRGSA-N 295.382 3.894 0 40 CHAB CCOc1ccc(NC(=O)CCc2ccc(F)cc2)cc1 18114175 NJFYVLAGSAQUQU-UHFFFAOYSA-N 287.334 3.796 0 40 CHAB OCc1cc2ccc(OCc3ccccc3)cc2o1 201193756 LMOQVYBNUKGQQL-UHFFFAOYSA-N 254.285 3.504 0 40 CHAB CCCCN(C)C(=O)c1cccc2c(C)c(C)[nH]c12 24661518 LJAZNRWHLZEILR-UHFFFAOYSA-N 258.365 3.657 0 40 CHAB CC(=O)c1c(Nc2cc(Cl)ccc2C)oc(C)cc1=O 99953 SCZWPVOBDOLEQR-UHFFFAOYSA-N 291.734 3.856 0 40 CHAB O=C(Nc1ccc2ncsc2c1)c1cccc(F)c1 10217158 QSNGVDVGMXFAEZ-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB Cc1ccc(NC(=O)c2csc(-c3ccc(C)o3)n2)nc1 31215445 IVZMJONGVSLRID-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CC(C)=CCOc1ccc(Br)cc1C=O 20302700 WUTTVPUOEKZQBN-UHFFFAOYSA-N 269.138 3.607 0 40 CHAB Cc1cc(C)cc(C(=O)OCc2nc3ccccc3o2)c1 8323972 QCFDSKUOZVZDNS-UHFFFAOYSA-N 281.311 3.802 0 40 CHAB COCc1ccccc1NC(=O)N[C@H]1CCC[C@@H](C)C1 46031583 NLSWIOXDQCCKOO-OCCSQVGLSA-N 276.380 3.533 0 40 CHAB Cc1ccccc1OCC(=O)Nc1c(C)cccc1C 362466 LQFFVNGMWVVWIL-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB O=C(Cc1ccccc1)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 4945997 XXQJYZFLCGZQNN-NQNKBUKLSA-N 270.372 3.597 0 40 CHAB Cc1ccncc1NC(=O)CC(C)(C)c1ccccc1 104455095 BLCPNJMZJGFGAP-UHFFFAOYSA-N 268.360 3.696 0 40 CHAB Cc1cc(F)ccc1NC(=O)CCn1cnc2ccccc21 12553489 JCYGESOTKMSLMK-UHFFFAOYSA-N 297.333 3.513 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(O)c(C)c2C)cc1 1436945 UOZASDHXQYEQGX-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C=O)c1 12505331 NWOSAVBAMUPHIH-UHFFFAOYSA-N 280.302 3.799 0 40 CHAB CC(C)C(=O)Nc1ccc(SCc2cccnc2)cc1 12597699 VLXMDTFIWPHVGT-UHFFFAOYSA-N 286.400 3.968 0 40 CHAB Cc1cc(NC(=O)[C@@H]2CC=CCC2)n(-c2ccccc2F)n1 57991022 JLIWWCORZGQZHI-CYBMUJFWSA-N 299.349 3.615 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(C(=O)O)cc1 3229382 PUUNUAFTWRKKEA-NTUHNPAUSA-N 299.713 3.531 0 40 CHAB O=C(CC1CCCC1)OCc1nc2ccccc2s1 3289808 FUDLHJGKSAUDEW-UHFFFAOYSA-N 275.373 3.920 0 40 CHAB CCN(CC)CCOC(=O)CCc1cccc2ccccc12 2187370 WSYCNOZBOHYBKN-UHFFFAOYSA-N 299.414 3.657 0 40 CHAB C[C@@H]1CO[C@H](Cn2c3ccccc3c3ccccc32)O1 2315304 AFHSKLXOUIJSRM-PXAZEXFGSA-N 267.328 3.556 0 40 CHAB COc1cccc(COc2cccc3c2CCC[C@@H]3O)c1 12993708 BLJMKQDYDHECCF-KRWDZBQOSA-N 284.355 3.644 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(N)ccc1C 19736096 GEGSFFUESWSSGQ-QGZVFWFLSA-N 298.386 3.682 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(N)ccc1C 19736099 AMERBEJUQPQKQZ-QGZVFWFLSA-N 298.386 3.682 0 40 CHAB Cc1nc2n(Cc3ccc(Cl)cc3)c3ccccc3n2n1 5274674 VQUJQQIIHOCJRI-UHFFFAOYSA-N 296.761 3.694 0 40 CHAB Nc1nc(/C(Cl)=C/c2ccccc2)nc2ccccc12 8780097 YUFQDYKZUQPNSH-RAXLEYEMSA-N 281.746 3.949 0 40 CHAB O=C(CCc1ccc(F)cc1)Nc1cccc2cccnc12 14184601 ZDCWPPZZEVBEOZ-UHFFFAOYSA-N 294.329 3.945 0 40 CHAB CCC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1 4715501 BAIYWLNHQVIBNP-JXMROGBWSA-N 251.757 3.658 0 40 CHAB Cc1cc(Nc2ccc(C(C)(C)C)c(F)c2)n2ncnc2n1 71296017 UJADSHNYKLSXNU-UHFFFAOYSA-N 299.353 3.613 0 40 CHAB CCCc1cc(=O)oc2cc(OCc3cc(C)on3)ccc12 8222108 GVOGPTHVOVDMLE-UHFFFAOYSA-N 299.326 3.621 0 40 CHAB O=c1nc(-c2cccs2)oc2ccc(Cl)cc12 9452174 DWGZRSWSHPIJPT-UHFFFAOYSA-N 263.705 3.570 0 40 CHAB Cc1c(C(=O)N2CC[C@H]2c2ccccc2)cnn1C(C)(C)C 71820894 YNHASOFHKVTHKC-INIZCTEOSA-N 297.402 3.534 0 40 CHAB CCn1ccnc1CNc1cc(C2CCCCCC2)[nH]n1 83843635 AVRRFWYDCDHTJH-UHFFFAOYSA-N 287.411 3.676 0 40 CHAB O=C1OC(c2cccs2)=N/C1=C/c1cc2ccccc2o1 96935630 DHWHQAQZIUFRLZ-FMIVXFBMSA-N 295.319 3.839 0 40 CHAB COc1ccc(NC(=O)[C@@]2(C)CCc3ccccc3C2)cc1 72302630 ULYMYAYTJPZNDJ-IBGZPJMESA-N 295.382 3.829 0 40 CHAB Nc1nc(-c2cccc(F)c2)cc(-c2cccs2)n1 62710343 QBWGUQAHYPYBRN-UHFFFAOYSA-N 271.320 3.593 0 40 CHAB Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1ccccn1 88466106 DXMBFMCDULKHLM-UHFFFAOYSA-N 298.386 3.790 0 40 CHAB CC(C)[C@@H]1C[C@@H](CN(C)Cc2ccccc2)CCO1 95995475 PNOBLPFZYWHWHJ-IRXDYDNUSA-N 261.409 3.570 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN[C@@H](C)CCCO)o1 88762894 NELXIZGKGOGABA-LBPRGKRZSA-N 291.366 3.645 0 40 CHAB CCCN1C(=O)/C(=C\c2ccc(OC)cc2)c2ccccc21 409116930 MNVYHIMBFWRHGS-LGMDPLHJSA-N 293.366 3.992 0 40 CHAB O=C1c2ccsc2CCN1Cc1ccccc1Cl 60068033 KQQBLQBNIVSMLU-UHFFFAOYSA-N 277.776 3.600 0 40 CHAB in-vitro CCCN1[C@H]2CC[C@H]1[C@]1(CCN(CCc3ccccc3)C1)C2 306142020 WNASHYLFUARRIX-SLFFLAALSA-N 298.474 3.568 0 40 CHAB COc1ccc(C(C)(C)C)cc1C(=O)N1CCC(C)CC1 72206456 SRMOUPSAGMWCKH-UHFFFAOYSA-N 289.419 3.865 0 40 CHAB Cc1cc(OCCCCC(=O)O)cc(C(C)C)c1 37421325 ABWOBKVNTPMZTM-UHFFFAOYSA-N 250.338 3.752 0 40 CHAB CCc1ccc(N2N=C(C(=O)O)C[C@@H]2c2ccccc2)cc1 71979166 FIMVHDWHKIBXJT-QGZVFWFLSA-N 294.354 3.641 0 40 CHAB C[C@@H]1CCCN(Cc2ccc(Br)cc2F)C1 42205907 MGOJSPYQZJDYCY-SNVBAGLBSA-N 286.188 3.820 0 40 CHAB Cc1ccccc1O[C@H](Cc1cccc(C)c1C)C(=O)O 225021930 BYCHUOVMBOMMKO-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CCCOc1ccc(NC(=O)C(C)(C)OCC)cc1Cl 225648934 JLJNPVIPHGBHEO-UHFFFAOYSA-N 299.798 3.882 0 40 CHAB CC(C)C(NC(=O)Cc1ccc(Cl)cc1F)C(C)C 225460611 QCFWMIGNCJQOKX-UHFFFAOYSA-N 285.790 3.818 0 40 CHAB O=C(c1cccs1)N(CCc1cccs1)C1CC1 75154780 JSDQRHBIJNPXIE-UHFFFAOYSA-N 277.414 3.657 0 40 CHAB COc1cccc(OCC(=O)Nc2ccccc2C(C)C)c1 40946369 GHXLHTIQTQPDLE-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB CC(=O)c1ccccc1C(=O)N1CC2(CC2)c2ccccc21 81434862 VMHPDELPVWGBFW-UHFFFAOYSA-N 291.350 3.581 0 40 CHAB CC(=O)c1cccc(Nc2cnnc3ccccc23)c1 41122913 PKQXTXXVVPDEKC-UHFFFAOYSA-N 263.300 3.576 0 40 CHAB Cc1ncccc1CNc1ccc(F)cc1OC(F)F 89793557 JEMUOWSLEGJUDU-UHFFFAOYSA-N 282.265 3.743 0 40 CHAB CC(=O)n1c2c(c3cc(Br)ccc31)CCCC2 140953580 NSNUDYQMJBLSQD-UHFFFAOYSA-N 292.176 3.943 0 40 CHAB O=C(c1cccc(F)c1F)c1ccnc2ccccc12 83316541 AUOSJORHOVSIPB-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB O=C1Cc2cc(F)ccc2N1Cc1ccc(Cl)cc1 96026257 HYKPBCCUQAYDFE-UHFFFAOYSA-N 275.710 3.568 0 40 CHAB N#Cc1cnccc1Oc1cccc(Br)c1 399412486 ZXDKDFKYYZRPHN-UHFFFAOYSA-N 275.105 3.508 0 40 CHAB Cc1ccccc1C(=O)Nc1cnc2c(F)cccc2c1 1531787679 UOOOGXGOMDTRPY-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB C[C@@H]1CC(=O)CC[C@@]2(C)[C@@H](OC(C)(C)C)CC[C@H]12 5706439 VONPHBXPKMRMFD-OEYIWLLWSA-N 252.398 3.976 0 40 CHAB CC(C)(C)c1cc(NC(=O)CCCc2ccccc2)no1 13324304 LPOODWGYMZTSFJ-UHFFFAOYSA-N 286.375 3.934 0 40 CHAB COc1ccc(OC)c(NCc2cccc3[nH]ccc23)c1 15423553 BFSBOFWVGXSQSM-UHFFFAOYSA-N 282.343 3.797 0 40 CHAB CCc1cc(N)cc(Br)c1N1CCCC[C@H]1C 226315279 WCTPIGQYRUJZRP-SNVBAGLBSA-N 297.240 3.973 0 40 CHAB Cc1cc(-c2nc(-c3ccccc3Cl)no2)ccc1N 50438523 UPHUZDCDQFHLQH-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB O=C1CC(c2ccc(Cl)cc2)=Nc2ccccc2N1 5811538 PHRODTFGFHUYEY-UHFFFAOYSA-N 270.719 3.803 0 40 CHAB BrC12C[C@@H]3C[C@@H](C1)CC(N1CCCC1)(C3)C2 100151873 CIVARSFDXZMBQT-FEPKRQSRSA-N 284.241 3.569 0 40 CHAB COc1ccccc1NC(=O)Nc1cccc(C(C)=O)c1 1640191 FOQQIKQPWOTNDC-UHFFFAOYSA-N 284.315 3.542 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)C[C@@H]1C=CCC1 32781431 KYBDNXDWLBMJJA-VXGBXAGGSA-N 261.390 3.550 0 40 CHAB Cc1cccc(NC(=O)CCOc2ccccc2)c1C 2652536 GGODLRTUMXSNHU-UHFFFAOYSA-N 269.344 3.711 0 40 CHAB COc1ccc2c(c1)c(C(=O)O)c(C)n2C1CCCC1 33419850 DOKUYAQEKIMDNC-UHFFFAOYSA-N 273.332 3.772 0 40 CHAB in-vitro O=C(Nc1nc(=S)ss1)c1cccc(Cl)c1 3104324 GPCDBXMOZRMFAP-UHFFFAOYSA-N 288.806 3.840 0 40 CHAB Fc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 12530371 WXXSDBOTYNWIFT-UHFFFAOYSA-N 287.363 3.567 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]2CCCC[C@@H]21 35165364 HTLHYTGYDQWPRZ-DYVFJYSZSA-N 282.387 3.963 0 40 CHAB CC(C)N(Cc1ccccc1)Cc1nnsc1Cl 35165106 BFGMOLQORGKJEP-UHFFFAOYSA-N 281.812 3.602 0 40 CHAB O=C(CCCSc1ccccc1)Nc1nccs1 10217834 MNQASFNMFUOHMW-UHFFFAOYSA-N 278.402 3.654 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3ncc(C)s3)on2)cc1 36391394 UXGHHSFSNWXZFO-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB O=C(c1ccoc1)N1CC=C(c2c[nH]c3ccccc23)CC1 11075827 DLONCUIUHPYWGR-UHFFFAOYSA-N 292.338 3.690 0 40 CHAB Cc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1 8686171 QQLNYPYBEOSBSO-UHFFFAOYSA-N 282.372 3.680 0 40 CHAB CCc1cccc(NC(=O)c2sc(C)nc2C)c1 8404154 IVKGSGAFIOTWHP-UHFFFAOYSA-N 260.362 3.575 0 40 CHAB CC[C@@H]1CCCCN1C(=O)Cc1c(F)cccc1Cl 13326501 BXBJGRAWBIXTNI-LLVKDONJSA-N 283.774 3.813 0 40 CHAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1ccccc1F 8553294 RVQIYLDWJBKUAL-MJBXVCDLSA-N 293.382 3.634 0 40 CHAB Fc1cccc(Cl)c1CSC1=NCCS1 6079032 FGKVMIITUJGSQI-UHFFFAOYSA-N 261.774 3.815 0 40 CHAB O=c1ccc(-c2ccccc2)nn1Cc1cccc(Cl)c1 5388303 VVRSTIKEEDQDIQ-UHFFFAOYSA-N 296.757 3.612 0 40 CHAB CSCc1cc(N2CCCC2)nc(-c2ccccc2)n1 5362173 RIQNFTFJNVYJQD-UHFFFAOYSA-N 285.416 3.607 0 40 CHAB Cc1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)no1 6638596 VDGUXKGQNXMQSW-UHFFFAOYSA-N 290.322 3.807 0 40 CHAB Clc1ccc2c(NCc3cccnc3)ccnc2c1 6787392 HTKYTTOHZZKYFJ-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB Cc1ccsc1[C@H](C)NCc1ccc([S@@](C)=O)cc1 90221402 CADFGZXNISJCCV-BUXKBTBVSA-N 293.457 3.645 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=S)Nc1cccc(F)c1 7558645 KYVXLZGKGLCEAG-GXFFZTMASA-N 266.385 3.691 0 40 CHAB COc1ccccc1NC(=O)c1cc(-c2ccccc2)on1 9745198 GSTIPRHVHSIDEH-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB COCCCCC(=O)Nc1ccccc1SC(C)C 84622367 OPHBVHKRKPEPCW-UHFFFAOYSA-N 281.421 3.942 0 40 CHAB CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 1659 YLCXGBZIZBEVPZ-UHFFFAOYSA-N 270.763 3.627 0 40 CHAB biogenic,in-man CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 409010365 DNXTYJGVAJCYPG-YXYQAXARSA-N 279.336 3.661 0 40 CHAB O=C(O)CC1(CC(=O)c2ccc(F)cc2)CCCCC1 37364706 LXXRZXIJQWOUME-UHFFFAOYSA-N 278.323 3.824 0 40 CHAB CC(=O)N1CCC[C@H](Cc2cncc(-c3ccccc3)c2)C1 72365090 DXYWXSVGJQWDTR-MRXNPFEDSA-N 294.398 3.550 0 40 CHAB COC(=O)[C@H](C)N1c2c(C)cccc2C(C)=CC1(C)C 223192511 LQSJRURLQCGDBR-ZDUSSCGKSA-N 273.376 3.558 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1C 225757681 DJCQIRSOSZZNSB-CQSZACIVSA-N 274.408 3.996 0 40 CHAB COC(=O)CCCC(=O)c1ccc(-c2ccccc2)cc1 74417069 NCFVJALVVFDDEO-UHFFFAOYSA-N 282.339 3.880 0 40 CHAB Cc1ccnc(C(=O)c2cc(Cl)ccc2Cl)c1 45028635 IIKHHHUHJACOLM-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CC(C)CNC(=O)CCc1ccc(Cl)c(Cl)c1 225320402 XKDLLMYWSZGZGL-UHFFFAOYSA-N 274.191 3.698 0 40 CHAB Cc1cc(C)cc(O[C@@H](Cc2cc(C)ccc2C)C(=O)O)c1 225028363 DTIGRDKZVMGHIE-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CC(C)c1ccc(OCC(=O)NCC2CCCCC2)cc1 224266226 METZSBDFYJIBJB-UHFFFAOYSA-N 289.419 3.885 0 40 CHAB O=Cc1cn(-c2ccccc2)nc1Sc1ccccc1 81217784 HFNMNOVECBRVDA-UHFFFAOYSA-N 280.352 3.836 0 40 CHAB CC(C)(C)OC(=O)N1CCC(c2cccc(C=O)c2)CC1 95932958 QQYNNFALXKPDOU-UHFFFAOYSA-N 289.375 3.614 0 40 CHAB COc1cccc(F)c1C(=O)c1cc(F)ccc1C 89064304 NAIUQKGBDUNMCT-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB COc1cccc2c(CCN(C(C)C)C(C)C)c[nH]c12 299817109 CYDOUMFFIKOFBJ-UHFFFAOYSA-N 274.408 3.838 0 40 CHAB in-vitro CCc1c(-c2ccccc2)[nH]c2c(F)cccc2c1=O 685938770 XFGHEMACEFJCQZ-UHFFFAOYSA-N 267.303 3.897 0 40 CHAB O=Cc1sc2ccccc2c1OC(=O)c1ccccc1 332686 KQPPTPMRIYAXSJ-UHFFFAOYSA-N 282.320 3.933 0 40 CHAB Cn1cc(N[C@@H](c2cccs2)C2CCCC2)cn1 37260133 RNEDMLUZMXPQKP-CQSZACIVSA-N 261.394 3.825 0 40 CHAB Cc1ccc2sc(N3CC[C@H](CF)C3)nc2c1C 1163996277 IWNNJPGNENVLML-LLVKDONJSA-N 264.369 3.709 0 40 CHAB COCc1cccc(C(=O)Nc2ccc(C)cc2C)c1 5278130 FRVVTIGETOURCK-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB CC(C)(O)c1ccccc1[S@](=O)c1ccc(Cl)cc1 5715207 BTTJFKLMNCPEEW-IBGZPJMESA-N 294.803 3.734 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N)cc1C 19736377 FQMIDIXJFFUBCH-MRXNPFEDSA-N 298.386 3.682 0 40 CHAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 19770077 CYMXVHLHGVEYTJ-UHFFFAOYSA-N 258.104 3.651 0 40 CHAB Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1C 13169734 CKOMNPVJSJISRC-UHFFFAOYSA-N 283.327 3.562 0 40 CHAB C(CCCN1CCCCC1)CCN1CCCCC1 2191349 MMFWDQPRIWJGAM-UHFFFAOYSA-N 252.446 3.519 0 40 CHAB Cc1cc2cc(NC(=O)[C@@]3(C)CC3(Cl)Cl)ccc2[nH]1 40081306 OPNAQCKVONOTJO-CYBMUJFWSA-N 297.185 3.999 0 40 CHAB O=C(Nc1nc(-c2ccco2)cs1)c1ccc(F)cc1 40111365 QJCJVLHIWJIHFM-UHFFFAOYSA-N 288.303 3.795 0 40 CHAB Cc1ccc(CN[C@@H](c2ccccc2)c2nccn2C)s1 30643621 YMVIFNRMTMTBAS-INIZCTEOSA-N 297.427 3.669 0 40 CHAB Cc1ccc(SCC(=O)N2CCc3ccccc32)cc1 171496 HNQAMJPNGVKODD-UHFFFAOYSA-N 283.396 3.676 0 40 CHAB O=C(Nc1cccc(F)c1)c1ccc2ncsc2c1 105415 CJCANTYTSYHSEF-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB Nc1cc2c(cc1Cl)-c1ccc(Cl)cc1[C@H]2O 1569590 NFHDBFRHGMAWGQ-CYBMUJFWSA-N 266.127 3.638 0 40 CHAB COC(=O)[C@H](C/C=C(/C)c1ccc(Cl)cc1)C(C)=O 1616076 VAKUUPTXOJWYOT-PXTDYPQFSA-N 280.751 3.512 0 40 CHAB CCc1ccc2oc(C(=O)Nc3cccnc3)c(C)c2c1 387724 JGPHWXZUAYGZGH-UHFFFAOYSA-N 280.327 3.951 0 40 CHAB O=C(Nc1ccccc1Br)c1cccc(F)c1 362101 MPVXFEFTDLGFFS-UHFFFAOYSA-N 294.123 3.841 0 40 CHAB Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1F 375206 JCDYOHHPBBCHGQ-UHFFFAOYSA-N 295.260 3.988 0 40 CHAB Cc1cc(C=O)c(C)n1CCc1ccc(Cl)cc1 3379313 AIRGVANBEYLTTR-UHFFFAOYSA-N 261.752 3.814 0 40 CHAB O=C(c1ccncc1)N1CCC[C@H]1c1ccc(Cl)cc1 32796204 GMCIEXVEFIFQBZ-HNNXBMFYSA-N 286.762 3.712 0 40 CHAB Nc1ncc(-c2cc3cc(Cl)ccc3o2)s1 6269335 YFHUBRQYNHPXDS-UHFFFAOYSA-N 250.710 3.792 0 40 CHAB COc1ccc([C@@H]2CC(c3ccccc3)=NC(=S)N2)cc1 411658 OJBATUCWOKDWSY-INIZCTEOSA-N 296.395 3.504 0 40 CHAB Cc1nc(NCC(=O)c2c[nH]c3ccccc23)sc1C 484966 VKOOOJZJFMKPAU-UHFFFAOYSA-N 285.372 3.536 0 40 CHAB Cc1nc(-c2ccccc2O)[nH]c1-c1ccccc1 55125903 TUYKJHKQSXRJAY-UHFFFAOYSA-N 250.301 3.758 0 40 CHAB Cc1cc(C)cc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 7970161 DCBRUUDUAYUDAU-YIONKMFJSA-N 285.387 3.637 0 40 CHAB Cc1ccc(C[S@](=O)Cc2cccc(C)c2)cc1 58292286 SAISKXBDTRDYNT-GOSISDBHSA-N 258.386 3.752 0 40 CHAB CCc1cccc(CC)c1Nc1nc(CC(=O)O)cs1 8024854 IBIUMGADJAXNGY-UHFFFAOYSA-N 290.388 3.639 0 40 CHAB CN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102270061 NWPHDVUDDVHSLZ-SGMGOOAPSA-N 275.779 3.511 0 40 CHAB Cc1cc(Oc2ncnc3c2cnn3C)cc(C(C)C)c1 12485114 RJVNZRWCMDNXII-UHFFFAOYSA-N 282.347 3.587 0 40 CHAB CC(C)[C@@H](NC(=O)c1ccnc(Cl)c1)c1cccs1 25386649 YNBJKHWVNOKHPV-CYBMUJFWSA-N 294.807 3.924 0 40 CHAB CCCCC1CCC(C(=O)NCc2ccncc2)CC1 27749603 OBWUBRGNCNRXNS-UHFFFAOYSA-N 274.408 3.694 0 40 CHAB Fc1cccc([C@@H]2CCCN2CCc2ccncc2)c1 48248662 OOHIQGYXYNRHBJ-KRWDZBQOSA-N 270.351 3.600 0 40 CHAB CCc1cccc(C)c1NC(=O)Cc1cccc(OC)c1 3548685 OMRFOAUSHBLZNJ-UHFFFAOYSA-N 283.371 3.747 0 40 CHAB NC[C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12 6645704 VCXAETGEVHDYMF-AWEZNQCLSA-N 270.763 3.912 0 40 CHAB Cc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 14903662 UJNRKHUKTVKGKL-UHFFFAOYSA-N 269.222 3.859 0 40 CHAB CC(=O)Nc1ccccc1OC/C=C/c1ccccc1 8537733 OYTBZEUAXQWCOE-JXMROGBWSA-N 267.328 3.737 0 40 CHAB O=c1cc(-c2ccccc2Cl)nc(Nc2ccccc2)[nH]1 9264695 KCXVJSVTBDVWAW-UHFFFAOYSA-N 297.745 3.834 0 40 CHAB O=C(NCCCc1ccccc1)c1ccc2ncsc2c1 9516260 QVGZDVHYGDTAPD-UHFFFAOYSA-N 296.395 3.659 0 40 CHAB Cc1occc1C(=O)Nc1ccc(OC(F)(F)F)cc1 9516112 YYDCWCPJBPZJJT-UHFFFAOYSA-N 285.221 3.739 0 40 CHAB CCc1nnc(CNc2ccc(-c3ccccc3)cc2)o1 71832745 GTTPTDFMUWMASE-UHFFFAOYSA-N 279.343 3.911 0 40 CHAB CSCCCCNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 84705590 DFGAJKPZXJYPPQ-HIFRSBDPSA-N 292.448 3.532 0 40 CHAB CCOc1ccc(Cc2c(Cl)ncnc2Cl)cc1 25493156 CYJHAWFNJABNQG-UHFFFAOYSA-N 283.158 3.773 0 40 CHAB Cc1ccc(OCCCCn2nnc3ccccc32)cc1C 35143508 PMJPQJZNOLXCHD-UHFFFAOYSA-N 295.386 3.907 0 40 CHAB O=C(C(=S)Nc1ccc(Cl)cc1)c1ccccc1 3846923 CKOWZEMRRZJACM-UHFFFAOYSA-N 275.760 3.962 0 40 CHAB biogenic CN1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72348573 JWUFYHSVNWVEOZ-OAHLLOKOSA-N 284.378 3.621 0 40 CHAB CNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c(C)n1 72219098 DUWMUFVIIXPPGU-CYBMUJFWSA-N 291.395 3.504 0 40 CHAB COc1ccc(-c2nc3ccc(N)cc3o2)cc1Cl 70461405 WMMFJUWMHPZALA-UHFFFAOYSA-N 274.707 3.739 0 40 CHAB FC(F)(F)Oc1ccc2[nH]c(C(F)(F)Cl)nc2c1 36533775 SHXHONMRDHHHDV-UHFFFAOYSA-N 286.587 3.750 0 40 CHAB in-vitro Cc1ccccc1-c1nc2cc(-n3cnnc3)cc(C)c2o1 73639388 MNRBGRMTWLDTFH-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB c1ccc([C@@H]2CCC[C@@H]2NCc2nnc(C3CCC3)o2)cc1 133552309 WKFWNBHSASJUJF-HOTGVXAUSA-N 297.402 3.763 0 40 CHAB CCOC(=O)CCCC(=O)c1c(C)c(C)cc(C)c1C 43214443 UCBVYXHZOLLMIW-UHFFFAOYSA-N 276.376 3.836 0 40 CHAB O=C(c1ccsc1)N1CCC[C@@H]1c1ccsc1 44940690 OGNIXVSBPDBQRO-GFCCVEGCSA-N 263.387 3.787 0 40 CHAB COc1ccc([C@@H](CC(C)C)NC(=O)C(C)C)cc1 223096293 TXINYWYJCPQQLV-OAHLLOKOSA-N 263.381 3.555 0 40 CHAB CC(C)Oc1ccc(NC(=S)NCc2ccco2)cc1 44194965 DOYVAJCORHZHQI-UHFFFAOYSA-N 290.388 3.553 0 40 CHAB CCOc1ccccc1CNC(=O)/C=C/c1ccc(C)cc1 44904906 KWIUENYMRFLZNB-OUKQBFOZSA-N 295.382 3.723 0 40 CHAB CCC1(CC)C[C@@H](NC(=O)C2CC2)c2ccccc2O1 225382261 SBRSLHSWZXWAIZ-CQSZACIVSA-N 273.376 3.595 0 40 CHAB Cc1cc(C)c(C(=O)NCc2ccc(F)cc2)cc1C 225646208 XBLDDSJQHUBKNK-UHFFFAOYSA-N 271.335 3.681 0 40 CHAB O=C(Cc1ccccc1)NCc1ccc2ccccc2c1 193067095 JGEXCCSWMDURKJ-UHFFFAOYSA-N 275.351 3.699 0 40 CHAB CN[C@H](C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 94992697 LNOHXBKDCCQNJS-LLVKDONJSA-N 291.435 3.778 0 40 CHAB CC[C@@H](C)NCc1cc(C)c(OC(F)F)c(C)c1 96971320 DPIFYGUQULZYQT-LLVKDONJSA-N 257.324 3.793 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)cc2)c1 42698 MUBOVDKMCHSJSE-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CCn1c(/C=C/c2ccc(C)cc2)nc2ccccc2c1=O 5218907 USZBEQYEONGDKJ-OUKQBFOZSA-N 290.366 3.895 0 40 CHAB O=C(/C=C\c1ccc2ccccc2n1)Nc1ccccc1 17040279 IJJVDSLTFQUTEJ-SEYXRHQNSA-N 274.323 3.887 0 40 CHAB COc1ccccc1/C=C/C(=O)NC[C@@H](C)c1ccccc1 8168563 VVYXPQXQBSXTQD-RDRICISKSA-N 295.382 3.628 0 40 CHAB CN(C)C(=O)c1ccc(NCc2ccc(Cl)cc2)cc1 12539577 NZSSPNPSIRRXGB-UHFFFAOYSA-N 288.778 3.654 0 40 CHAB FC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C1 2087139269 JFFPSSGIKSUJHU-UHFFFAOYSA-N 268.694 3.734 0 40 CHAB C[C@H](C(=O)O)c1cccc2nc(-c3ccccc3)oc12 2001053 NHWQKXLYPPATQO-JTQLQIEISA-N 267.284 3.683 0 40 CHAB O=C(Nc1ccc(C(=O)c2cccs2)cc1)c1ccco1 12374885 PBMXZXDJXFMWCV-UHFFFAOYSA-N 297.335 3.824 0 40 CHAB COc1ccc(Cl)cc1C(=O)Cc1ccccc1 38127026 SHTBPDBZVPREGU-UHFFFAOYSA-N 260.720 3.774 0 40 CHAB Cc1ccc(F)c(NC(=O)N[C@H](C)c2ccc(C)o2)c1 40099199 FJMVPMZTCUCDCJ-LLVKDONJSA-N 276.311 3.918 0 40 CHAB Cc1cc(OC(=O)c2ccco2)cc(C)c1Cl 118078 VYIOLRJWEVDUNL-UHFFFAOYSA-N 250.681 3.769 0 40 CHAB COc1cc(NC(=O)C(C)(C)c2ccccc2)cc(OC)c1 7969847 CTQSWUIVRSMFBX-UHFFFAOYSA-N 299.370 3.620 0 40 CHAB COc1cccc(C(=O)c2ccccc2CN2CCCC2)c1 2515546 YLFWCJLUZIUGDD-UHFFFAOYSA-N 295.382 3.522 0 40 CHAB O[C@@H](c1ccccc1)[C@H](CN1CCCCC1)c1ccccc1 1668860 ZJQDTSJAQWHKJT-UXHICEINSA-N 295.426 3.990 0 40 CHAB C[C@H]1CC(C)(C)O[C@@H](c2cc3c(cc2Cl)OCO3)O1 1670485 NZVOPUJOXFVYIA-SDBXPKJASA-N 284.739 3.671 0 40 CHAB C[C@@H]1CCCCN1CCCSC(=O)c1ccccc1 2042393 WWWKIGOKQIQJRK-CQSZACIVSA-N 277.433 3.825 0 40 CHAB CC(C)CCNC(=O)CCSc1ccc(Cl)cc1 6325624 RCGIMVDDSTWLPZ-UHFFFAOYSA-N 285.840 3.985 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1cc(C)ccc1C 6560238 FFCPAHNUGDJGTF-GFCCVEGCSA-N 250.411 3.778 0 40 CHAB COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 7652319 AYIKFUXBZVNAOU-UHFFFAOYSA-N 269.344 3.612 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1C 2654512 CSLPNWXAJDJPKM-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1C 8085071 BVKVQLFDQDSSEL-UHFFFAOYSA-N 287.790 3.929 0 40 CHAB Cc1nc(CNC(=O)CCCC2CCCCC2)cs1 42118185 XAJYJFSARHFGPC-UHFFFAOYSA-N 280.437 3.818 0 40 CHAB CC(=O)NCc1ccc(-c2csc(-c3ccco3)n2)cc1 25204678 ULGCFGFHWRQKIO-UHFFFAOYSA-N 298.367 3.706 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C 25769312 MAFXNZDMVZTCFP-GWCFXTLKSA-N 290.432 3.809 0 40 CHAB Cc1ccccc1CNC(=O)N[C@H](C)c1cccs1 26244910 DFSPOKXEBMIZQK-GFCCVEGCSA-N 274.389 3.617 0 40 CHAB CCOC(=O)CCCCCCC(=O)C1CCCC1 2379031 RPDSEVOOZBEPIK-UHFFFAOYSA-N 254.370 3.649 0 40 CHAB O=C(O)c1ccccc1SCc1ccccc1F 3346258 PTQQBHWWGZQWAO-UHFFFAOYSA-N 262.305 3.816 0 40 CHAB CCCNc1nc(-c2ccc3c(c2)[C@H](C)C(=O)N3)cs1 8295996 RBDQDCCAXDBKIC-VIFPVBQESA-N 287.388 3.688 0 40 CHAB C[C@@H](NCC[C@@H]1CCCO1)c1ccccc1Cl 38095405 SDMYIDDJBLPLIS-NEPJUHHUSA-N 253.773 3.560 0 40 CHAB CSc1ccc(CN(C)C(=O)c2ccoc2C)cc1 39978493 GSSXBBUTYKGXIB-UHFFFAOYSA-N 275.373 3.582 0 40 CHAB C[C@@H]1Cc2ccccc2N1Cc1nnc(-c2ccccc2)o1 4414416 OSANNWTYLGSARU-CYBMUJFWSA-N 291.354 3.688 0 40 CHAB CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 5698964 GWFPZNWTHIITBJ-DLBZAZTESA-N 299.801 3.868 0 40 CHAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1C 5747520 CHRNFXUNBCWKDC-ZWNOBZJWSA-N 281.783 3.657 0 40 CHAB c1ccc(COc2ccc3[nH]cc(CCN4CC4)c3c2)cc1 7518943 GYYSLTJNZCQASK-UHFFFAOYSA-N 292.382 3.605 0 40 CHAB O=C(Nc1ccccc1F)N[C@@H]1CCc2ccccc21 8941591 GBUKJTMEHWJYCL-CQSZACIVSA-N 270.307 3.635 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N)cc1C 19736390 CIFQRICBMHJENL-QGZVFWFLSA-N 298.386 3.682 0 40 CHAB CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1 72312794 KSXGGUAXENRCPP-RKDXNWHRSA-N 289.853 3.806 0 40 CHAB CC(C)c1ccsc1C(=O)NCCCCCCC(=O)O 95425207 YFHKBDVAJGAYBH-UHFFFAOYSA-N 297.420 3.636 0 40 CHAB CN(C)c1cccc([C@@H]2CCCN2Cc2cscn2)c1 78947631 QLXVWCWRAXSECD-INIZCTEOSA-N 287.432 3.546 0 40 CHAB CCC[C@H](NC(=O)c1c(C)noc1C)c1cccs1 95954862 BDFGZNDWDZTMIY-NSHDSACASA-N 278.377 3.624 0 40 CHAB COc1ccc2[nH]cc(C(=O)c3ccccc3F)c2c1 37364285 NNUUHAZNQVMZTK-UHFFFAOYSA-N 269.275 3.547 0 40 CHAB COc1ccc([C@H](O)c2cccc3ccccc23)cc1 34417915 QFHQSHKATWPEMV-SFHVURJKSA-N 264.324 3.930 0 40 CHAB CCCC[C@@H]1OC[C@@]2(COC(C)=O)[C@H](C)C=C(C)[C@H]1[C@H]2C 504217294 PTOBLQWYQHCBCQ-SSGTUYFUSA-N 294.435 3.973 0 40 CHAB biogenic CC(C)N1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 72215942 YRGUPBPYDVPSEU-MRXNPFEDSA-N 273.424 3.617 0 40 CHAB CC[C@H](Nc1cc(C)nc2ncnn12)c1cc(C)ccc1C 528225338 WUGXCRVUNAZUTI-HNNXBMFYSA-N 295.390 3.613 0 40 CHAB COc1ccccc1NC(=S)Nc1ccc(F)c(C)c1 71760587 LDVQXGFVKICVEL-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB C[C@@H](CN[C@H](C)CCc1ccccc1)C(=O)OC(C)(C)C 47219111 PFAQPKYRXXXRNK-LSDHHAIUSA-N 291.435 3.575 0 40 CHAB CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 85650611 RCZZTUBQVGHILS-KRWDZBQOSA-N 297.398 3.565 0 40 CHAB Nc1nc(-c2ccccc2)nc2oc(-c3ccccc3)nc12 82087259 AGWMBMWQMKDAPL-UHFFFAOYSA-N 288.310 3.534 0 40 CHAB COc1ccc2[nH]c(COc3cc(C)cc(C)c3)nc2c1 41146195 QDZPOSLDTPWWAB-UHFFFAOYSA-N 282.343 3.767 0 40 CHAB CC(=O)c1cc(Cl)c(Cl)cc1OCc1ccon1 193101237 CSMHIUCGNHNUME-UHFFFAOYSA-N 286.114 3.763 0 40 CHAB CCOc1cccc(CNC(=O)Nc2ccc(CC)cc2)c1 44845388 NFRQCNOACPOVKP-UHFFFAOYSA-N 298.386 3.969 0 40 CHAB CCN(c1ccccc1Oc1ccccc1)[C@H](C)C(=O)O 260680939 YQMOCIFUFQDJEL-CYBMUJFWSA-N 285.343 3.778 0 40 CHAB Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCC[C@H]1C(=O)O 95634110 UHUFYNOPLBARQB-CHWSQXEVSA-N 280.751 3.722 0 40 CHAB Cc1cc(C)c(NC(=O)CCC(F)(F)F)c(C)c1 73848802 MNZCDJGTORQPDG-UHFFFAOYSA-N 259.271 3.893 0 40 CHAB CCc1ccc(CC(=O)NC(C(C)C)C(C)C)cc1 223064987 MTYQJWRFWQUAAD-UHFFFAOYSA-N 261.409 3.588 0 40 CHAB Cc1c(Cl)cccc1NC(=S)NCc1ccco1 13658728 SWUHKONRCGAIOS-UHFFFAOYSA-N 280.780 3.728 0 40 CHAB Cc1cc(-c2ccc(C(=O)O)o2)ccc1Br 16282261 GXPHOVLOVQUCAO-UHFFFAOYSA-N 281.105 3.716 0 40 CHAB CC[C@@H](C)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 7307885 HRWTUNRTQTVBKR-CYBMUJFWSA-N 295.448 3.811 0 40 CHAB O=C(OCc1cc(Cl)nc(Cl)c1)c1cccs1 165977 GFKSPTOLUOOWMV-UHFFFAOYSA-N 288.155 3.807 0 40 CHAB CC(=O)OCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 8628629 RWYJEGDSGDASIB-SNVBAGLBSA-N 292.766 3.642 0 40 CHAB COc1ccc(C(=O)c2cc(Cl)ccc2F)cc1F 35423917 KYBKRLGWIYPOSB-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB CCC(=O)Nc1ccc([C@@H](C)NCc2cccs2)cc1 30640849 CPRYWINAEVIQTQ-GFCCVEGCSA-N 288.416 3.947 0 40 CHAB CCc1ccc(C(=O)N(Cc2ccncc2)C2CC2)s1 46043189 SPFUCHUKUSWHBS-UHFFFAOYSA-N 286.400 3.510 0 40 CHAB C[C@H]1CCc2onc(C(=O)Nc3ccc(Cl)cc3)c2C1 7000144 UONPSUNOQHZRAV-VIFPVBQESA-N 290.750 3.705 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccoc1C 21638118 OHPFQRJLKTZQHJ-CYBMUJFWSA-N 275.373 3.799 0 40 CHAB CC(C)(C)c1ccc(-c2nnc(SCCCO)o2)cc1 60731025 LPLURICNHQOJCR-UHFFFAOYSA-N 292.404 3.509 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1OC 8080241 DDMMSUCSDOIRLI-UHFFFAOYSA-N 299.370 3.909 0 40 CHAB CC[C@H](C)C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28221243 SZOJWICQYZRRIJ-UONOGXRCSA-N 270.376 3.701 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 22540199 ABZWGIOFTLNWRG-MRVPVSSYSA-N 297.251 3.734 0 40 CHAB Cc1ccc(NC(=O)C(F)(F)Oc2ccc(F)cc2)cc1 3117013 LAPKYTGFNDGNGR-UHFFFAOYSA-N 295.260 3.744 0 40 CHAB CS[C@H](C)C(=O)N[C@H](c1cccs1)C1CCCC1 42940656 FNRZMELWRPKLNA-MFKMUULPSA-N 283.462 3.847 0 40 CHAB Cc1ccc([C@H](C)N(C)Cc2c(C)noc2C)cc1 47960144 YOANJQWWHUWASB-ZDUSSCGKSA-N 258.365 3.793 0 40 CHAB Ic1ccc2c(c1)[nH]c1ccccc12 2070660 LFAUHNYDVKJOEI-UHFFFAOYSA-N 293.107 3.926 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1sccc1C 58161101 DFQJEWBMSDYGBL-CYBMUJFWSA-N 290.413 3.816 0 40 CHAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccnc2)N3)C1 4125405 JSPZKXLFHZSMIN-LKFCYVNXSA-N 299.399 3.697 0 40 CHAB CCCCOCc1c(Br)cnn1[C@H](C)CC 408716518 NVPZNTBHSLWVSZ-SNVBAGLBSA-N 289.217 3.933 0 40 CHAB Cc1cc(C)cc(NC(=O)N[C@H](C)c2cccnc2)c1 13744301 DROLAQFXJBRBHS-CYBMUJFWSA-N 269.348 3.581 0 40 CHAB CCCOc1ccc(-c2nc3ccccc3c(=O)o2)cc1 4313601 UDAZOUXZOLJYBJ-UHFFFAOYSA-N 281.311 3.644 0 40 CHAB O=C(CCC1CCCC1)N1CCC[C@H](C(F)(F)F)C1 65491101 OJGGBPJQUQIRDK-LBPRGKRZSA-N 277.330 3.758 0 40 CHAB CCCCCC[C@H](C)NC(=O)Cc1ccccc1OC 4599903 LBFHGMDLPMLCBF-AWEZNQCLSA-N 277.408 3.713 0 40 CHAB CN(Cc1ccc(CO)o1)Cc1csc2ccccc12 179989613 XOUOAAOWLGLWPT-UHFFFAOYSA-N 287.384 3.619 0 40 CHAB O=C(c1cccc(Cl)c1)C(Cl)(Cl)Cl 307519262 WDTHZKTXPQGUEP-UHFFFAOYSA-N 257.931 3.893 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CSCCS1 75567868 DUEMRXZUETURKC-ZDUSSCGKSA-N 295.473 3.906 0 40 CHAB Cc1nc(Cl)cc(N[C@H]2C[C@H]2c2cccc(F)c2F)n1 72302137 FEBJQVFOQIYSSB-ONGXEEELSA-N 295.720 3.685 0 40 CHAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(SC(F)F)cc1 95450955 WEYIFIHHUHNDFE-NTZNESFSSA-N 299.386 3.589 0 40 CHAB Cc1cnc([C@H](N[C@H](C)CC2CC2)C2CC2)s1 89702394 ZIJNHJWXOBVNAI-NOZJJQNGSA-N 250.411 3.681 0 40 CHAB Cc1cnc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)s1 27979438 MIKGAHICYZHKJT-UHFFFAOYSA-N 299.399 3.812 0 40 CHAB O=C(Nc1cccc(F)c1)C1(c2ccccc2)CCOCC1 32644396 BVFPAAUNXARULB-UHFFFAOYSA-N 299.345 3.513 0 40 CHAB CCOc1ccc2c(c1)c(CNC)c(C)n2C(C)C 223759000 LEXNBZHHLFZQKV-UHFFFAOYSA-N 260.381 3.649 0 40 CHAB Nc1c2c(nc3oc(-c4ccccc4)cc13)CCCC2 73196459 KEPWYKBQWJYLMT-UHFFFAOYSA-N 264.328 3.956 0 40 CHAB CCCCc1ccc2nc(C)cc(NCCCN)c2c1 222692166 BVKXPSUFQDBSOH-UHFFFAOYSA-N 271.408 3.647 0 40 CHAB CC(C)Oc1c(Br)cc(Cl)cc1C=O 199769410 GROJTSHMLGUUIT-UHFFFAOYSA-N 277.545 3.702 0 40 CHAB Cc1cccc(C[C@@H](Sc2ccccc2)C(=O)O)c1 225018839 YDBYLHWRFRVBIN-OAHLLOKOSA-N 272.369 3.783 0 40 CHAB CCSc1ccccc1C(=O)N[C@H](C)Cc1ccco1 42381843 PLLZBZBRCOPOAT-GFCCVEGCSA-N 289.400 3.753 0 40 CHAB Cc1cccc(-c2n[nH]c(-c3cccc(F)c3)n2)c1 40164165 UKTMGVZTJVWVNY-UHFFFAOYSA-N 253.280 3.586 0 40 CHAB CCN1c2cc(C)c(C(=O)O)cc2C(C)=CC1(C)C 223793605 AHAYSSFRVUJOLK-UHFFFAOYSA-N 259.349 3.715 0 40 CHAB Cc1csc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)c1 618256994 OGACDSKMJCDJCE-KBPBESRZSA-N 273.401 3.914 0 40 CHAB CCOC(=O)Cc1csc2ccc(Br)cc12 91693040 OJCNNIJKZVAOAS-UHFFFAOYSA-N 299.189 3.769 0 40 CHAB FC(F)(F)[C@@H]1CCC[C@H](N[C@H]2CCO[C@H](C3CC3)C2)C1 249084048 BAVMIBQEBOCUHJ-RFGFWPKPSA-N 291.357 3.655 0 40 CHAB O=C(NCCc1ccoc1)c1ccccc1SC(F)F 96120575 DFKGADWCGZNYNF-UHFFFAOYSA-N 297.326 3.567 0 40 CHAB CCCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1640223 WACUQJUUASVFAF-UHFFFAOYSA-N 280.677 3.890 0 40 CHAB O=C(Nc1ccc(S)cc1)Nc1ccccc1F 16450385 UEGBUDQTJOJQBP-UHFFFAOYSA-N 262.309 3.758 0 40 CHAB CC(C)(C)n1nc2c(c1NC(=O)C1CCCC1)CSC2 425756 XOHJGLRXSWDUKB-UHFFFAOYSA-N 293.436 3.514 0 40 CHAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccccc1F 6920170 MJJQLAFZIWGHBD-UHFFFAOYSA-N 294.329 3.798 0 40 CHAB Clc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1 1888909701 LWVGIKHJBPTVKX-UHFFFAOYSA-N 285.738 3.558 0 40 CHAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@@]12O 2049238336 HSOALUOHWZYSOE-DTXAGUPXSA-N 290.447 3.815 0 40 CHAB Fc1ccc(-c2nnc3ccc4ccccc4n23)cc1 78388 YKHRYQSJQRCYTH-UHFFFAOYSA-N 263.275 3.689 0 40 CHAB Cc1ccc(C(=O)c2cccc(CN3CC=CC3)c2)cc1C 2515401 BNQZNEOLBQJIMS-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB O=C1CN2CC[C@@H]1C/C2=C/c1ccnc2c(Cl)cccc12 4963779 HREIQFLOPSXSOD-YFBAIUBQSA-N 298.773 3.524 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1F 7122980 RRQGNLYPOIQVSV-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB Cc1cc(C)cc(O[C@H](C)C(=O)NC2CCCCCC2)c1 8497323 JFQHSAMSBYZIOY-OAHLLOKOSA-N 289.419 3.910 0 40 CHAB CC[C@@H](C)n1c(C(C)=O)nc2ccc(Cl)cc21 53944129 WGECSTAEUBDZGY-MRVPVSSYSA-N 250.729 3.863 0 40 CHAB CCn1c(CNC(=O)CCC2CCCC2)nc2ccccc21 9337988 HJDMHTWVEKREHV-UHFFFAOYSA-N 299.418 3.643 0 40 CHAB COc1ccc(NC(=O)c2ccccc2)cc1OC(F)F 22753608 QIYDBQUNGSQEEA-UHFFFAOYSA-N 293.269 3.549 0 40 CHAB O=C(Nc1cccnc1)c1cc(-c2ccccc2Cl)on1 815158 LBGMMGIAZOLJTF-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB Cc1cccnc1NC(=O)c1cc2c(s1)CCCCC2 12553840 LJPLJUBFMCWTQC-UHFFFAOYSA-N 286.400 3.973 0 40 CHAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3ncccc3C)c2c1 24567725 YVDURPZCOHICBN-UHFFFAOYSA-N 293.370 3.669 0 40 CHAB Cc1ccccc1CN1CCSc2sccc2C1=O 1403647 RGVLMVWXXSUQOV-UHFFFAOYSA-N 289.425 3.805 0 40 CHAB CCOc1ccc2nc(NCc3cccnc3)sc2c1 26422521 QFBIDTSJFVTNDL-UHFFFAOYSA-N 285.372 3.702 0 40 CHAB Cc1cccc(CNC(=O)CCc2ccccc2Cl)c1 26023495 TUYUZONAQDATKF-UHFFFAOYSA-N 287.790 3.897 0 40 CHAB O=C(CCc1ccccc1Cl)N1CCc2ccccc21 10457693 PRETYQCFPQQZKH-UHFFFAOYSA-N 285.774 3.862 0 40 CHAB CN(C)c1cccc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 11203998 LBFAMDQIBCJZMM-SFHVURJKSA-N 294.398 3.634 0 40 CHAB CCCCNC(=O)CSC1=Nc2ccccc2CS1 12860240 QOJXOFFDTFKMCA-UHFFFAOYSA-N 294.445 3.570 0 40 CHAB Cc1ccc2c(CN3CCC[C@H](C)C3)cc(=O)oc2c1C 3564931 KITAMWKRJMWJMU-LBPRGKRZSA-N 285.387 3.642 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1Cl 3537192 RZZAVWUTJVERIC-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB COc1cccc(-c2nc3ccccc3s2)c1O 13126105 CKFLKUKQCSXXBI-UHFFFAOYSA-N 257.314 3.678 0 40 CHAB CO[C@@H](C)c1cccc(NC(=O)[C@H](OC)c2ccccc2)c1 69811742 XMBYTGXQPMQETR-SUMWQHHRSA-N 299.370 3.720 0 40 CHAB CN(Cc1ccc(F)cc1F)C(=O)CCc1cccs1 65522939 ALXRFXBNSOOHFS-UHFFFAOYSA-N 295.354 3.618 0 40 CHAB CCCC[C@H](CC)CNC(=O)Cn1ccc2ccccc21 4676640 AKTBXENPVBPQRJ-HNNXBMFYSA-N 286.419 3.974 0 40 CHAB CC[C@H]1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 4713579 QSQVXLCLZLCBMQ-KUNBBXKYSA-N 275.436 3.994 0 40 CHAB O=C(Nc1nc2c(F)cc(F)cc2s1)[C@H]1CC=CCC1 9865528 SKVMMJRULXVKSJ-QMMMGPOBSA-N 294.326 3.869 0 40 CHAB C=CN1CCC(Cc2ccccc2)(Cc2ccccc2)C1=O 72233636 AXTFAINMURDKET-UHFFFAOYSA-N 291.394 3.834 0 40 CHAB CC[C@@H]1CC[C@H](C)N1C(=O)CSc1ccccc1 95458849 PAVMLDKTNJEGCU-QWHCGFSZSA-N 263.406 3.568 0 40 CHAB Cc1nnc(N2CCCC[C@@H]2CCc2ccccc2)s1 89736467 BEMJVYMAVVNKOK-OAHLLOKOSA-N 287.432 3.838 0 40 CHAB CCOC(=O)c1ccc(C(C)C)c(Br)c1 39952470 AHJYTNMACIFOHE-UHFFFAOYSA-N 271.154 3.749 0 40 CHAB Cc1ccc(CN(C)C(=O)CCCOc2ccccc2)cc1 30858019 MKMACRRSFOKPPZ-UHFFFAOYSA-N 297.398 3.813 0 40 CHAB C(=C/[C@H]1OC[C@H](c2ccccc2)O1)\c1ccccc1 38306734 WSGOUZOHBWMGBM-SFDDJJRUSA-N 252.313 3.814 0 40 CHAB Cc1cc(-c2cccc(C)c2C)nc(C2CCNCC2)n1 72365356 SGXPJIOHWWKEGQ-UHFFFAOYSA-N 281.403 3.536 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1 44945905 VRTMXABLRGHRMU-HNNXBMFYSA-N 273.307 3.622 0 40 CHAB CCCc1c(SC(=O)C(C)C)ccc(C(C)=O)c1O 40448141 AECYROPNVBMIQB-UHFFFAOYSA-N 280.389 3.822 0 40 CHAB CCCCOc1ccc(NC(=O)C(C)(C)OC)cc1C 225599948 LNKMAZCYBNCCEE-UHFFFAOYSA-N 279.380 3.537 0 40 CHAB Nc1ccc(OCc2cccc(F)c2)c(Br)c1 95921822 VAGAYIBZRSYBQI-UHFFFAOYSA-N 296.139 3.749 0 40 CHAB CCOc1ccccc1CSCc1nnc(C2CC2)o1 96433400 TWQXQCFLLMFUJF-UHFFFAOYSA-N 290.388 3.779 0 40 CHAB C[C@@H](Oc1cccc2ccccc12)C(=O)OC(C)(C)C 90813706 JVDGEMCYQRHPDP-GFCCVEGCSA-N 272.344 3.949 0 40 CHAB O=C(COc1ccccc1)c1ccc(F)c(Cl)c1 95916186 NMKMMRYDVMJLMC-UHFFFAOYSA-N 264.683 3.741 0 40 CHAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(Cl)c1 585319820 VDIAKNUECGWDOG-PBWFPOADSA-N 294.782 3.514 0 40 CHAB CC(C)c1ccccc1OCC(=O)NC1CCCCC1 133438 JOZXQQJYZKYDLD-UHFFFAOYSA-N 275.392 3.638 0 40 CHAB CNCc1cc(Cl)ccc1OCc1ccccc1 5910016 QPGHZAPZIXMIKZ-UHFFFAOYSA-N 261.752 3.638 0 40 CHAB COc1ccc(/C=C/Cc2cc3c(cc2OC)OCO3)cc1 1611514 INUYZGCKMARQIZ-ONEGZZNKSA-N 298.338 3.688 0 40 CHAB O=C(/C=C/c1ccco1)N[C@H]1CCSc2ccccc21 5425436 SMVKJYURBBFKIE-NPQIQWPPSA-N 285.368 3.646 0 40 CHAB COc1ccc(Cl)cc1CNc1cccc(C(=O)O)c1 37977930 UVCIZQANBSDRKN-UHFFFAOYSA-N 291.734 3.659 0 40 CHAB Cc1cc(Br)c2ccc(F)c(F)c2n1 36075630 NLJOYMXNGYMCPD-UHFFFAOYSA-N 258.065 3.584 0 40 CHAB CCN(CC)c1ccc(C(=O)C(F)(F)C(F)(F)F)cc1 575242673 FEYHKDOOQHMZIL-UHFFFAOYSA-N 295.251 3.913 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)N[C@H](C)Cc1ccco1 40094060 DDGHUNDYEOQKFB-SNVBAGLBSA-N 292.404 3.529 0 40 CHAB Cc1ccc(NC(=O)[C@]23CC[C@@H](C2)C(C)(C)C3=O)c(C)c1 100767468 QAAXOJXLDCDAKL-SCLBCKFNSA-N 285.387 3.637 0 40 CHAB CCn1c(C)cc(C(=O)c2sc3ncccc3c2N)c1C 20416327 LTJIFIMVJYBWGF-UHFFFAOYSA-N 299.399 3.548 0 40 CHAB O=C(Oc1cccc(Cl)c1)C1SCSCS1 115054 ORSOGRNTZISYQP-UHFFFAOYSA-N 292.834 3.700 0 40 CHAB Cc1cccc(C)c1C(=O)c1ccccc1CN1CC=CC1 2515895 YNXDJFDYRJOSIQ-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB O=C(N1CCCCC1)C1(c2ccccc2)CCCC1 270890 HQFHUOULUZHWII-UHFFFAOYSA-N 257.377 3.511 0 40 CHAB O=C(Nc1ccccc1)c1ccc(N2CCCC2)cc1 7382706 LESKSVLFVUKWKS-UHFFFAOYSA-N 266.344 3.539 0 40 CHAB Clc1ccc(C2OCC3(CO2)C[C@H]2C=C[C@H]3C2)cc1 100350552 DBIXZVCGKNOYQF-OXELBQPXSA-N 276.763 3.968 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)NC(C(C)C)C(C)C 8478245 CDZKCWKKNWFPRL-HNNXBMFYSA-N 277.408 3.641 0 40 CHAB CSc1ccc([C@H](C)Nc2cc(Cl)nc(N)n2)cc1 42102815 FZYXGUAYTATDMC-QMMMGPOBSA-N 294.811 3.607 0 40 CHAB CCc1nc2ccccc2n1Cc1ccc(F)cc1 802581 JFBOKBUCCKJFKH-UHFFFAOYSA-N 254.308 3.786 0 40 CHAB Cc1cc(F)ccc1[C@H](O)c1cccc(Br)c1 55201582 NRJLVYKCCHZOCV-CQSZACIVSA-N 295.151 3.978 0 40 CHAB CC(C)CN(CC(C)C)C(=O)[C@H]1C[C@H]1c1ccccc1 1480388 VPCWQGLHGNIBCI-IRXDYDNUSA-N 273.420 3.931 0 40 CHAB CCN(c1ccc(NC(=O)Nc2ccncc2)cc1)C(C)C 56498807 UMPRKULEKODCAG-UHFFFAOYSA-N 298.390 3.960 0 40 CHAB CCCCN(C)c1ncnc2sc3c(c12)CCCC3 1900221 DPXSQEKBRRDSCK-UHFFFAOYSA-N 275.421 3.806 0 40 CHAB O=C(Oc1cccc(Br)c1)C1CCCCC1 3310940 OLSPHRWPDPBHDK-UHFFFAOYSA-N 283.165 3.935 0 40 CHAB Cc1ccc(CNc2cnc3ccccc3n2)s1 48337249 GFTCQIPRQFMYDZ-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB CCC(CC)NC(=O)c1oc2ccc(OC)cc2c1C 3528509 LQKZZNQTKOEUMA-UHFFFAOYSA-N 275.348 3.668 0 40 CHAB CC[C@@H](C)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 6086188 LAOPKIBFBFCZPG-SNVBAGLBSA-N 289.404 3.979 0 40 CHAB CC1CCN(C(=O)c2cccc3ccccc23)CC1 5427594 MPZLTIXCYFXWCM-UHFFFAOYSA-N 253.345 3.712 0 40 CHAB Cc1csc(NC(=O)CCCc2c[nH]c3ccccc23)n1 6847697 IDFYLXCLTHWUIU-UHFFFAOYSA-N 299.399 3.894 0 40 CHAB C[C@H](NC(=O)Cc1cccc(F)c1)c1cccc(Cl)c1 16017923 DIQGMAYUGDFPAB-NSHDSACASA-N 291.753 3.899 0 40 CHAB CSc1ncc(C(=O)Nc2ccc3ccccc3c2)cn1 408535079 XSJMXCXUKJCMIY-UHFFFAOYSA-N 295.367 3.604 0 40 CHAB CN(CC(=O)Nc1ccccc1)[C@@H]1CCCc2ccccc21 8126538 GKVXONUENRJLRG-GOSISDBHSA-N 294.398 3.635 0 40 CHAB C[C@@H](O)c1ccccc1NC(=O)c1nccc2ccccc12 95955485 BVOIEAAKGMGMCN-GFCCVEGCSA-N 292.338 3.540 0 40 CHAB Brc1ccc([C@H]2C[C@H]2CN2CCCC2)cc1 217809453 XRBKNTXOIJFLEF-GXTWGEPZSA-N 280.209 3.648 0 40 CHAB Cc1ccc2c(c1)C=C(C(=O)NCc1ccccc1)C=CO2 33321271 SYSARVQDQMYSPQ-UHFFFAOYSA-N 291.350 3.601 0 40 CHAB CCc1sc(=N)n(CC)c1-c1ccc(C)c(C)c1 408575254 IDTLPNYUAYEYKI-UHFFFAOYSA-N 260.406 3.895 0 40 CHAB O=C(O)c1cc2cc3cc(Cl)ccc3nc2s1 34776321 ZLPDQGQBPZHMOE-UHFFFAOYSA-N 263.705 3.801 0 40 CHAB CCOc1ccc(NC(=O)c2ccc3oc(C)nc3c2)cc1 49677141 ZEHGKGPZDSDUKU-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB Cc1cccc([C@H](O)c2ccccc2Br)c1 43560658 IJTNZYNYUPQFBO-AWEZNQCLSA-N 277.161 3.839 0 40 CHAB O=C([C@@H]1CCCC12CC2)N1CC[C@H](c2cccc(F)c2)C1 528430524 CYFHYZTUTVIYMU-HOCLYGCPSA-N 287.378 3.722 0 40 CHAB O=C(COc1cccc2c1CCCC2)NCC1=CCCCC1 225098342 VQUXOLNODJADAN-UHFFFAOYSA-N 299.414 3.561 0 40 CHAB O=C(c1ccccc1Cl)N1CCC[C@H]1c1ccc[nH]1 48687243 DEEDDHNGHGKHLO-AWEZNQCLSA-N 274.751 3.645 0 40 CHAB Cc1ccc([C@H](O)c2ccc3c4c(cccc24)CC3)cc1N 226295806 CCLTYOBUWFIYRI-FQEVSTJZSA-N 289.378 3.911 0 40 CHAB Brc1cccc2cnn(Cc3ccccc3)c12 90413625 BDJAMAXDMNFQJV-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB COCCCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 96431620 LRKJCCNAJJTJMA-CJNGLKHVSA-N 293.382 3.552 0 40 CHAB CC(C)Oc1cccc(C(=O)C(F)(F)Br)c1 382676645 UPCMHXCESOGJRW-UHFFFAOYSA-N 293.107 3.644 0 40 CHAB CSc1cccc(C(=O)COCc2ccccc2)c1 382676742 UVRAOYYBUYXSKC-UHFFFAOYSA-N 272.369 3.808 0 40 CHAB CC(C)(C)c1cc(CO)c2c(Br)cccc2n1 685937023 HGYJCMYUVLUVEA-UHFFFAOYSA-N 294.192 3.787 0 40 CHAB Cc1csc(C(C)(C)NC(=O)c2cc(F)ccc2C)n1 72286481 VOUOMWDTANNHCP-UHFFFAOYSA-N 292.379 3.564 0 40 CHAB O=C(NC1CCCCCC1)N[C@@H](c1nccs1)C1CC1 73434140 GOYJWMJGAAEINP-CYBMUJFWSA-N 293.436 3.616 0 40 CHAB CCCCc1nc(CSc2nnc(C)s2)cs1 75475511 WBVLQSSFNSAWBS-UHFFFAOYSA-N 285.463 3.938 0 40 CHAB CC(C)[C@@H](C)NC(=O)Nc1ccccc1C(F)(F)F 40096018 CXCBQAWLCGGTBS-SECBINFHSA-N 274.286 3.871 0 40 CHAB O=C1c2ccccc2N[C@@H]2C(=C3CCCC3)CC[C@H]12 5338553 DSBMMZMTLMBWEM-GOEBONIOSA-N 253.345 3.944 0 40 CHAB COc1cccc(NC(=S)Nc2ccc(C)cc2F)c1 16181631 SFQYODHXPDLIIT-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB COc1cc(CNC2CC2)ccc1OCc1ccccc1C 16362745 QWLZYLUPZAWJPB-UHFFFAOYSA-N 297.398 3.835 0 40 CHAB C[C@@H](Cc1cccs1)C(=O)N[C@H](C)Cc1cccs1 19457187 GIJPQIYAWLFOTE-NWDGAFQWSA-N 293.457 3.736 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)c1cccs1 19931598 UPPZCZQTRGCNNW-UHFFFAOYSA-N 265.765 3.674 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)NC2CCC(C)CC2)n1 23958128 KMQBMGAEYSLVEX-ZYXZCXLHSA-N 298.477 3.627 0 40 CHAB Oc1ccnc2c(C(F)(F)F)cc(Br)cc12 102686453 VBTDWDZNCPGVMX-UHFFFAOYSA-N 292.054 3.722 0 40 CHAB CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 40091945 MYUUCOGFAKWXGX-STQMWFEESA-N 289.375 3.671 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2cccc(OC(F)F)c2)C1 40120528 AWRAHLRVFSNNCZ-PHIMTYICSA-N 298.333 3.798 0 40 CHAB CN(C(=O)c1cccc2cccnc12)C1CCCCC1 40462542 OHERRJQIRHOMOS-UHFFFAOYSA-N 268.360 3.640 0 40 CHAB O=C1c2ccccc2C(=O)N1c1cc(Cl)cc(Cl)c1 116506 GKINDOWYHSQEOB-UHFFFAOYSA-N 292.121 3.794 0 40 CHAB Fc1cccc(F)c1-n1c(=S)[nH]c2ccccc21 20586001 PTCXJJDRMMHZMK-UHFFFAOYSA-N 262.284 3.966 0 40 CHAB in-vitro c1nc(Oc2ccc(-c3nnco3)cc2)c2ccsc2n1 7984086 LZOSLZTZZUHIBO-UHFFFAOYSA-N 296.311 3.534 0 40 CHAB COc1cccc(CCC(=O)c2ccc(F)cc2F)c1 2516534 YHCFCXDKQOEDBB-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB CC(C)OC(=O)Oc1ccccc1OC(=O)OC(C)C 1600159 QARTZJVYMUHCGF-UHFFFAOYSA-N 282.292 3.534 0 40 CHAB CC(=O)N(Cc1ccco1)C[C@@H]1[C@@H](C)CC(C)=C[C@H]1C 2928583 UYZWGOWZOGYDPO-KEYYUXOJSA-N 275.392 3.867 0 40 CHAB CCCCc1ccc(Nc2ncccc2C(=O)O)cc1 4215142 ADIBYIWFBDMKNY-UHFFFAOYSA-N 270.332 3.866 0 40 CHAB in-man Cc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2C)cc1 7902709 OLICZDCLTOHRFO-UHFFFAOYSA-N 296.414 3.682 0 40 CHAB COC(=O)c1cc2sc(Nc3ccccc3)nc2s1 10712110 VKISHBVHAHNCKR-UHFFFAOYSA-N 290.369 3.888 0 40 CHAB COc1ccc(N(Cc2cccs2)C(=O)C2CC2)cc1 60449482 ZZALYDULOPPPLU-UHFFFAOYSA-N 287.384 3.700 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc(COc2ccc(F)cc2)o1 28576835 YIIPKRBITCXIAF-LLVKDONJSA-N 291.322 3.526 0 40 CHAB C[C@H](NC(=O)c1cc(F)cc(F)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999315 GSCPOBFEYKDEKQ-SQYUCLKFSA-N 279.330 3.519 0 40 CHAB O=C(NCC1(c2ccccc2)CC1)c1ccc2c(c1)CCC2 21524360 FUFFEZRSXABBNM-UHFFFAOYSA-N 291.394 3.637 0 40 CHAB Cc1noc(C)c1CSc1ccc(N)cc1Cl 37205000 GFBMXJHIKMONJX-UHFFFAOYSA-N 268.769 3.819 0 40 CHAB C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 104868523 BTJAMNAHNRTYMZ-WDEREUQCSA-N 298.789 3.538 0 40 CHAB CC(=O)c1cccc(NC(=O)Nc2cccc(F)c2C)c1 43322941 NQNYBEAXQIFWLI-UHFFFAOYSA-N 286.306 3.981 0 40 CHAB CCCCC[C@@H](C)NCc1cc(OC)ccc1OC 35133998 YUALOCQDNCKIFV-CYBMUJFWSA-N 265.397 3.762 0 40 CHAB Cc1nc(CSc2nc3ccccc3o2)cs1 3194645 RKMNIFYHPQJRBP-UHFFFAOYSA-N 262.359 3.885 0 40 CHAB Fc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1 2051053 KCWWBOLNCWEQPW-UHFFFAOYSA-N 296.330 3.659 0 40 CHAB C/C=C(/CN/C(=C\[N+](=O)[O-])c1ccccc1)c1ccccc1 104237361 YXIBWPUZIBVQEV-GRLPNLMISA-N 294.354 3.955 0 40 CHAB Cc1ccc(N2C(=O)OC[C@@H]2c2ccccc2)cc1 21996753 QENWQHDTOBJPJL-OAHLLOKOSA-N 253.301 3.693 0 40 CHAB O=C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CC1 37977445 PQQQAFXXWQDDSB-UHFFFAOYSA-N 287.309 3.770 0 40 CHAB O=C(NC1CCCCCCC1)c1ccc(O)c(Cl)c1 12926994 BHLHBVJOSIGCBT-UHFFFAOYSA-N 281.783 3.888 0 40 CHAB Cc1ccc(-n2c(S)nnc2-c2csc(C)c2)cc1 17022015 WXQHVHOGDLVBLD-UHFFFAOYSA-N 287.413 3.901 0 40 CHAB O=C(CCn1ccc2ccc(F)cc21)Nc1cccc(O)c1 13692246 QTRIIPPFOPVWOA-UHFFFAOYSA-N 298.317 3.515 0 40 CHAB Cc1cc(C)cc(NC(=O)CCc2ccc(C)o2)c1 5001295 WYIMMAALTFIADT-UHFFFAOYSA-N 257.333 3.776 0 40 CHAB CC(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 13955134 SYZBUKDNSKMWAI-UHFFFAOYSA-N 293.326 3.670 0 40 CHAB CCc1cccc2c(-c3csc(NC)n3)c[nH]c12 6671407 PVLVSUUIUDGVKE-UHFFFAOYSA-N 257.362 3.896 0 40 CHAB Cc1ccc(CC(=O)N[C@@H](C)CCCC(C)C)cc1 4704379 KLSLIIHPIHEMFX-HNNXBMFYSA-N 261.409 3.869 0 40 CHAB CC(C)n1c(CN2CCCCCC2)nc2ccccc21 4910976 YGGJSYJJIKVMCK-UHFFFAOYSA-N 271.408 3.993 0 40 CHAB O=C(O)CCCC(=O)N(c1ccccc1)c1ccccc1 9849486 VNJMFJOZOGJHNM-UHFFFAOYSA-N 283.327 3.606 0 40 CHAB O=C(CCc1cccs1)N[C@@H]1CCCc2ccccc21 9585597 ZKOYIDGGSAKCES-MRXNPFEDSA-N 285.412 3.875 0 40 CHAB Cc1ccncc1NC(=O)c1ccc(Cl)cc1Cl 71847593 NVWWPBMOEAZKJE-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB CN1C(=O)/C(=C/c2cc3ccccc3o2)c2ccccc21 96931599 RKBFLCWJPKWPLZ-RVDMUPIBSA-N 275.307 3.950 0 40 CHAB Cc1ncc(CNC(=O)Nc2ccc(F)c(Cl)c2)s1 32611481 VKFDERUOLWHQIU-UHFFFAOYSA-N 299.758 3.566 0 40 CHAB CCCCCCn1c(CN(C)C(C)=O)nc2ccccc21 33316563 QJMBISRTXGUPAO-UHFFFAOYSA-N 287.407 3.595 0 40 CHAB COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@]2(C)C(=O)CC=C12 32099740 DBDQZTGTJUICAZ-WYRIXSBYSA-N 296.366 3.929 0 40 CHAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C)cn2)cc1 225470789 HVQHOFBBEPUITR-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB C[C@@H](CNC(=O)CSc1ccccc1)c1ccccc1 49535685 RNQGNWGMXYUARV-AWEZNQCLSA-N 285.412 3.699 0 40 CHAB O=C(Nc1ccn2nccc2c1)c1cc2ccccc2s1 225595663 BFXXERVUOUVQBI-UHFFFAOYSA-N 293.351 3.801 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1C 223152661 LVQOBKOATKGUGY-CQSZACIVSA-N 283.371 3.803 0 40 CHAB CCCN[C@H](CC)c1ccc(OCC)c(OC)c1 222638379 SHQFMMSUWPYTDN-CYBMUJFWSA-N 251.370 3.545 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3cccc(N)c3)o2)C1 226301062 HVLFFPDGHCAEGM-CHWSQXEVSA-N 298.386 3.647 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)c1oc(C)nc1C 89949350 IBFOXYFGINNYQX-LBPRGKRZSA-N 290.388 3.503 0 40 CHAB Nc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[nH]1 228975915 WLSFJXSEGLJWJN-UHFFFAOYSA-N 295.186 3.697 0 40 CHAB Fc1ccc(Br)c(OC(F)(F)Cl)c1 95215652 DASYCXIGQIDXJY-UHFFFAOYSA-N 275.451 3.756 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CC[C@H](O)C(C)(C)C 242687701 UQWKTINIAKDQEY-OLZOCXBDSA-N 285.428 3.573 0 40 CHAB COC(=O)CN1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260621807 PDFWHWYTPFGDMR-SNVBAGLBSA-N 281.783 3.605 0 40 CHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@H]2C(=O)CCC[C@H]12 5103722 LLKGFONIEWUPGG-XENJLOSESA-N 290.447 3.959 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1cccnc1Cl 5527242 TWFZYYCXIPWSLJ-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB Oc1cccc([C@@]23CCCC[C@@H]2CN(CC2CC2)CC3)c1 11678382 KFIQKMINEHFZSM-MJGOQNOKSA-N 285.431 3.936 0 40 CHAB CC/C=C\C(=O)NC1c2ccccc2Oc2ccccc21 17288300 RLUOWBLOOBHQCD-BASWHVEKSA-N 279.339 3.964 0 40 CHAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(F)cc1 17916002 LYJXZHFKQKEUQC-VIFPVBQESA-N 279.261 3.595 0 40 CHAB CCc1ccccc1NC(=O)/C=C/c1cccc(OC)c1 3557677 AYGARQPFPOCGPN-VAWYXSNFSA-N 281.355 3.910 0 40 CHAB COc1ccc(-c2cc([C@H]3CCCCCN3)no2)cc1 12185175 SNDXHBVPZYXADZ-CQSZACIVSA-N 272.348 3.555 0 40 CHAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2CCCCC2)o1 40012155 KEDCQPLLXNZWJB-SWLSCSKDSA-N 275.392 3.785 0 40 CHAB C[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccccc1F 40024116 QHFJHJTYKVFTNU-CYBMUJFWSA-N 286.350 3.728 0 40 CHAB O=C(c1cccc(Cl)c1)N(Cc1ccncc1)C1CC1 40466425 IDKWZMMSRJWCBL-UHFFFAOYSA-N 286.762 3.540 0 40 CHAB O=C(Oc1ccccc1)c1cc(F)c(Cl)nc1Cl 166937 JLXLKHXCSJIIGF-UHFFFAOYSA-N 286.089 3.747 0 40 CHAB CC(C)c1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794959 ZZKDZBNGRZXXQY-UHFFFAOYSA-N 293.164 3.775 0 40 CHAB O=C1c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 251749 TXKWKZXGRPPXJL-UHFFFAOYSA-N 291.228 3.506 0 40 CHAB Cc1ccc(Nc2nc([C@@]3(C)CCC(=O)O3)cs2)cc1 289429 OYGUJBFUZZGDPN-OAHLLOKOSA-N 288.372 3.747 0 40 CHAB Cc1cc(C(=O)O)c(NC(=O)c2ccc(Cl)cc2)s1 498506 YFDOKEVVHSXUTQ-UHFFFAOYSA-N 295.747 3.660 0 40 CHAB COc1cc(F)c([C@H](C)Nc2cccc(CO)c2)c(F)c1 89904495 DIHUUIPJYFJWNS-JTQLQIEISA-N 293.313 3.639 0 40 CHAB Oc1ccc(CC[C@H]2CC[C@H](c3ccc(O)cc3)CO2)cc1 1581512 CZAHCAZTHZRDDI-LPHOPBHVSA-N 298.382 3.993 0 40 CHAB O=C(O)c1ccc2ccccc2c1C(=O)c1cccs1 1600024 RNVNKKOIAMFZSL-UHFFFAOYSA-N 282.320 3.831 0 40 CHAB C[C@@H](CCc1ccco1)NC(=O)NCCC1=CCCCC1 32779685 SIDVJIFCAZFXTD-AWEZNQCLSA-N 290.407 3.790 0 40 CHAB O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2CC[C@@H]1C2 4820279 KHWMXALDGHPVGM-CWSCBRNRSA-N 264.756 3.650 0 40 CHAB CCc1ccc(CNC(=O)c2cc(C)sc2C)s1 32930299 YWKURORRHOJVGF-UHFFFAOYSA-N 279.430 3.919 0 40 CHAB Cc1ccc(C(=O)Nc2ccnn2C2CCCCC2)o1 32969250 NFSJOOGIOLSBRJ-UHFFFAOYSA-N 273.336 3.542 0 40 CHAB CCc1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1 57416123 AQXFOFBCEKEDCQ-UHFFFAOYSA-N 278.355 3.660 0 40 CHAB CCc1ccc(CC(=O)Nc2cccc(C)c2)cc1 10701387 XNIDONTXPXLFDL-UHFFFAOYSA-N 253.345 3.739 0 40 CHAB CC[C@H](C)NC(=O)c1ccccc1SC(C)C 8500082 LDFIASCUYOGRET-NSHDSACASA-N 251.395 3.715 0 40 CHAB Cc1ccc([C@@H]2C[C@@H](C(F)F)n3nc(C)cc3N2)cc1 2784739 WDDIQTCHKILZSD-STQMWFEESA-N 277.318 3.863 0 40 CHAB N[C@H](c1cccc(F)c1)c1cccc(Br)c1 37466576 AILANKYWKDHJDG-ZDUSSCGKSA-N 280.140 3.636 0 40 CHAB S=C(NCCCc1ccccc1)Nc1ccccc1 1719459 KSAVTPCYXUELBT-UHFFFAOYSA-N 270.401 3.606 0 40 CHAB c1nc(N2CCCCCC2)c2c3c(sc2n1)CCC3 3069116 JLDSPVFSTBLLOG-UHFFFAOYSA-N 273.405 3.560 0 40 CHAB O=C1CC(=O)CC(c2ccc(-c3ccccc3)cc2)C1 100075252 YAXGCLXUXFATQM-UHFFFAOYSA-N 264.324 3.759 0 40 CHAB O=C(Nc1cc(-c2ccc(F)cc2)no1)c1cccs1 27990622 NCYVNWPALHMIDA-UHFFFAOYSA-N 288.303 3.795 0 40 CHAB CN(C)c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 3325493 AYDWZDJSUNISDD-GOSISDBHSA-N 294.398 3.560 0 40 CHAB FC(F)(F)c1cc(-c2ccccc2)nnc1Cl 12736567 SLQZHZXZZKZBAO-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)Nc2cc(C)on2)c(C)c1 8473534 GEYQDEPNSRVPQB-GFCCVEGCSA-N 290.388 3.719 0 40 CHAB CC(C)n1c(CNC(=O)c2ccccc2)nc2ccccc21 3896607 UHQLKBZXUPPTJO-UHFFFAOYSA-N 293.370 3.547 0 40 CHAB Cc1cccc(-n2c(Cl)nc3ccccc3c2=O)c1C 4218399 WIMPSHGEEXBFPA-UHFFFAOYSA-N 284.746 3.656 0 40 CHAB COC(=O)c1cc(-c2ccc(C)cc2C)nc2onc(C)c12 39978739 KXLYXLFPOPMWDI-UHFFFAOYSA-N 296.326 3.602 0 40 CHAB Cc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1C 13946383 JIKYUAZNATZMHB-UHFFFAOYSA-N 297.464 3.606 0 40 CHAB Cc1noc(C)c1CN[C@H](C)[C@H]1C[C@@H]1c1ccccc1 65479308 QANRNMUWCPZKAL-HFBAOOFYSA-N 270.376 3.573 0 40 CHAB O=C(O)c1cnc(/C=C/c2ccc3ncccc3c2)s1 65552702 LCTRRBUSEFERBM-GQCTYLIASA-N 282.324 3.560 0 40 CHAB CCc1ccc(/C=C/C(=O)NC2CCCCC2)cc1 6789001 SACSUJDMHUGIIW-OUKQBFOZSA-N 257.377 3.711 0 40 CHAB CCCN[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 18937924 WHXHLSDRIXDECB-KRWDZBQOSA-N 282.387 3.674 0 40 CHAB CCCCc1oc2ccccc2c1CN1CC[C@@H](CO)C1 92763364 DXVWECIBUNQLQI-CQSZACIVSA-N 287.403 3.590 0 40 CHAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccncc1 8986770 WPNOFJGAYOIBJW-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB CCOc1ccc(-c2ccc3[nH]cc(CCN)c3c2)cc1 71631134 FQONUXZYRLTYDX-UHFFFAOYSA-N 280.371 3.735 0 40 CHAB C[C@@H](O)c1ccccc1NC(=O)c1cc2cc(F)ccc2o1 97046302 NXTYHVWMQGMHHF-SNVBAGLBSA-N 299.301 3.878 0 40 CHAB C[C@H](Nc1cccc([S@@](C)=O)c1)c1ccccc1F 97045872 IUVBAVQXPLZJHS-WLRWDXFRSA-N 277.364 3.736 0 40 CHAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1occc1C 88464186 PEDWDNISJDNYTQ-UHFFFAOYSA-N 273.332 3.978 0 40 CHAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccccc2C)c1 24036412 WRXNMIMPMOBZJU-UHFFFAOYSA-N 297.398 3.615 0 40 CHAB CC(C)COc1ccc(/C=C/C(=O)O)cc1Br 62703640 WLFPNXUCWBDYFJ-GQCTYLIASA-N 299.164 3.582 0 40 CHAB CSc1ccccc1C(=O)C(F)(F)Br 307469804 UKQRCAZXLJRNOO-UHFFFAOYSA-N 281.121 3.579 0 40 CHAB CSc1ccccc1C(=O)C(Cl)(Cl)Cl 307553608 WABCVJDNZNYINK-UHFFFAOYSA-N 269.580 3.961 0 40 CHAB c1ccc2c(c1)OCC[C@@H]2Nc1ncnc2ccccc12 31949101 MKBGSLASVMAEDS-HNNXBMFYSA-N 277.327 3.566 0 40 CHAB O=C(C1CCCCC1)N1CCC[C@H]1c1cccs1 33028511 OZHHRRFEGDXKQQ-ZDUSSCGKSA-N 263.406 3.992 0 40 CHAB Cc1cc(C)c2nc(C3=CCN(C)CC3)sc2c1 73638453 KLROZOHFJALWMT-UHFFFAOYSA-N 258.390 3.632 0 40 CHAB C[C@H](O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 70453328 WHOGNKUXQJMVBC-MORSLUCNSA-N 268.356 3.750 0 40 CHAB COc1cccc(-c2cnc(-c3ccc(N)cc3)o2)c1 226103122 HVMKFWRODDKLIP-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB CCc1ccc(CC(=O)N(C)Cc2ccc(C)cc2)cc1 222775827 PONOKMZFHFWAFV-UHFFFAOYSA-N 281.399 3.759 0 40 CHAB Cc1cc(C)c2oc(-c3cccc(-n4cnnc4)c3)nc2c1 45920498 MUKDNRDDALKTLW-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB Fc1cc(Br)ccc1CN1CCCCCC1 42205838 KYVLPOCUGCBMFI-UHFFFAOYSA-N 286.188 3.964 0 40 CHAB c1ccc2sc(-c3ccc(Cn4cnnc4)cc3)nc2c1 45920821 UFYQECCRBZCURO-UHFFFAOYSA-N 292.367 3.603 0 40 CHAB CC[C@@H](C)n1c(Cc2ccccc2)ccc1C(=O)OC 226027647 OKJZUBGCTSXGMP-CYBMUJFWSA-N 271.360 3.837 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1cccs1 3272049 XUFZRHVWAFVCDJ-BCPZQOPPSA-N 269.369 3.739 0 40 CHAB CC(=O)Nc1ccc(CN2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1 1775975821 OSOILACLLDFIKG-OALUTQOASA-N 296.414 3.862 0 40 CHAB CCn1nc(C)cc1C(=O)Nc1cccc(Cl)c1Cl 13699979 AFVXQBVFVCXEHM-UHFFFAOYSA-N 298.173 3.771 0 40 CHAB CC(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 14258075 JMEAHPDDTSPRPV-UHFFFAOYSA-N 270.263 3.592 0 40 CHAB Cc1ccccc1NCc1nc2ccccc2nc1C 16362966 VZASLEMLGUNNNI-UHFFFAOYSA-N 263.344 3.859 0 40 CHAB COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 10221299 CGJUFKBYYSNHFX-UHFFFAOYSA-N 295.382 3.547 0 40 CHAB C[C@@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 28494424 BAISNQHUIBHDGU-CYBMUJFWSA-N 270.376 3.502 0 40 CHAB C[C@@]12OC3(CCCCC3)[C@](C)(OC13CCCCC3)O2 100047471 NZCCQNTZOZYXFU-OKILXGFUSA-N 266.381 3.902 0 40 CHAB COc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 60029 MSZPFWFDFWYVOE-UHFFFAOYSA-N 262.692 3.568 0 40 CHAB biogenic CC(C)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 266104 OLGMRMJENRKJRP-UHFFFAOYSA-N 279.343 3.824 0 40 CHAB C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1 21695486 GKIRRBKZTAYKHU-ZDUSSCGKSA-N 283.346 3.735 0 40 CHAB CCCOc1ccc2c(c1)c(C=O)c(C)n2CCC 217770544 CILNJNYLLPQXLB-UHFFFAOYSA-N 259.349 3.961 0 40 CHAB O=C(Nc1cccc2nsnc12)c1ccccc1Cl 104023 NJFSDZQZNCPXLR-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(F)c2)cc1 11565740 AWLDLIQPOGRQQI-LBPRGKRZSA-N 286.302 3.562 0 40 CHAB COc1ccc(CC[C@]2(C)O[C@@H](C)CC(C)(C)O2)cc1 1671346 AGEGKOQENQSFOE-SUMWQHHRSA-N 278.392 3.948 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(C)c(O)c2)cc1C 364337 UCPQVQZUWKMJSX-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB CC(C)N(Cc1nnsc1Cl)c1ccc(F)cc1 60339068 KFTVJCVRHVHHBX-UHFFFAOYSA-N 285.775 3.746 0 40 CHAB CC(C)COC(=O)Nc1nnc(-c2ccccc2F)s1 4694979 UCVDNIIOUUHZQP-UHFFFAOYSA-N 295.339 3.549 0 40 CHAB CNC[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 54588536 ZELGKUMJOLREBI-WMZOPIPTSA-N 267.372 3.589 0 40 CHAB C[C@H](CC(=O)N1CCc2sccc2C1)c1ccccc1 32883729 CTDXOUYPPGECSN-CYBMUJFWSA-N 285.412 3.827 0 40 CHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1)CC2=O 100748716 VINHUFDSNVOWBY-IRXDYDNUSA-N 289.350 3.550 0 40 CHAB CCOC(=O)/C(=C\c1ccccc1)c1nc2ccccc2[nH]1 8642232 QKBUQPKNLKIARZ-OWBHPGMISA-N 292.338 3.667 0 40 CHAB Cc1cccc(NC(=O)Cc2cc(C)ccc2C)c1 10701000 FLEWALLNXUFWJZ-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CSc1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1 56354517 QZYKWPUHUCJVHB-UHFFFAOYSA-N 296.395 3.820 0 40 CHAB C[C@H](Cc1cccs1)NC(=O)Nc1ccccc1 3211534 MMOWDBQIGUAYOF-LLVKDONJSA-N 260.362 3.501 0 40 CHAB CCCCn1c([C@@H](C)N)nc2cc(Cl)ccc21 64874476 IHQLKRTWNIYTSQ-SECBINFHSA-N 251.761 3.510 0 40 CHAB COc1ccc(OC)c(NC(=O)c2cc(C)c(C)s2)c1 12850309 SDPGNWOKXJWSJR-UHFFFAOYSA-N 291.372 3.634 0 40 CHAB CN(Cc1ccccc1)C(=O)c1cccc2cccnc12 12931403 AOMPGEOHJBBRNJ-UHFFFAOYSA-N 276.339 3.507 0 40 CHAB Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)c(C)o1 12936048 XRLOCMUOYDJAPH-INIZCTEOSA-N 269.344 3.778 0 40 CHAB CCSCc1ccc(C(=O)Nc2nccs2)cc1 48629126 LOQLMYDOZZGCDQ-UHFFFAOYSA-N 278.402 3.649 0 40 CHAB FC(F)(F)c1cnc(Cl)nc1NC1CCCC1 114135831 XKQMEFQDPQLJAN-UHFFFAOYSA-N 265.666 3.503 0 40 CHAB Cc1ccsc1C(=O)NC12CC3CC(CC(C3)C1)C2 4018949 GUYFSZCAOLSBKV-UHFFFAOYSA-N 275.417 3.755 0 40 CHAB O=C1c2ccccc2CC[C@]12N=NC[C@H]2c1ccccc1 5053714 BBHOAMKKLRNTFS-FUHWJXTLSA-N 276.339 3.804 0 40 CHAB CCOCCCNC(=O)c1sccc1-c1ccccc1 39976141 ZOBMSCVEAQMXQV-UHFFFAOYSA-N 289.400 3.572 0 40 CHAB Cc1cccc(C(=O)NCc2cccc(Cl)c2)c1 6377566 DHOZLXWFLAKYGJ-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB Cc1nnc(CSc2cc(C)c3ccccc3n2)o1 6647621 OPKNDZRIQIWZCW-UHFFFAOYSA-N 271.345 3.527 0 40 CHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C)ccc2C)c1 7056366 PMFDSNNGWFRLOT-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CC=CCC1 7264625 GMAJODSUDHOLLN-JTQLQIEISA-N 284.186 3.966 0 40 CHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC[C@@H](C)C1 7384145 BTJAMNAHNRTYMZ-MNOVXSKESA-N 298.789 3.538 0 40 CHAB COc1ccccc1NC(=O)N[C@@H]1CCCc2ccccc21 15952136 HDFRNVHMBYRTNJ-OAHLLOKOSA-N 296.370 3.894 0 40 CHAB COc1cc2c(cc1NC(=O)c1ccccc1)CCCC2 408927151 OQALUQXJAOELMI-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB Cc1nccc(NC(=O)C2CCC(F)(F)CC2)c1Cl 97083443 LSHFHKZTOKGZQV-UHFFFAOYSA-N 288.725 3.807 0 40 CHAB Cc1noc(C)c1CN[C@H](C)c1cccc(N2CCCC2)c1 95985999 UDZPXULGUAVLKL-CYBMUJFWSA-N 299.418 3.742 0 40 CHAB Cc1cc(-c2nc3cccc(Cl)c3[nH]2)ccc1N 20156637 DQIASNCASDWUSX-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB Cc1ccccc1CNCCCc1nc2ccccc2[nH]1 62718666 CBMBDIIMWVWYMX-UHFFFAOYSA-N 279.387 3.594 0 40 CHAB c1ccc(CN2CCCC[C@H]2c2ccccn2)cc1 72210993 ZGNGBBMEYSSAIL-KRWDZBQOSA-N 252.361 3.809 0 40 CHAB Cc1cccc(N/C=C2\SC(=O)N(CC(C)C)C2=O)c1 36636221 UKBDMGFLNFTZGM-JYRVWZFOSA-N 290.388 3.600 0 40 CHAB CCc1nn2cc(-c3ccc(C)c(C)c3)nc2s1 7994982 JIKYWMAICKYWHA-UHFFFAOYSA-N 257.362 3.637 0 40 CHAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCN1CC(C)C 72218923 VPIRXTBPXRRIAY-KRWDZBQOSA-N 287.451 3.783 0 40 CHAB COc1ccc([C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 38935559 MLOMQHMQTPLWLR-HNNXBMFYSA-N 296.370 3.717 0 40 CHAB COc1ccc2ccccc2c1[C@H](CN)N1CCC(C)CC1 32073465 RCMQLXXIWTVYLE-KRWDZBQOSA-N 298.430 3.580 0 40 CHAB CC[C@@H](O)c1ccc(N2CCCc3ccccc32)nc1C 72224961 CUOYDQNWAKEGLB-QGZVFWFLSA-N 282.387 3.918 0 40 CHAB CCOc1cccc(CO)c1OCc1cccc(Cl)c1 36672584 SYBFIVUYOWOSCK-UHFFFAOYSA-N 292.762 3.810 0 40 CHAB CCCCn1c(CCC(=O)O)nc2cccc(Cl)c21 225297150 HNQYWRQTVXHFRB-UHFFFAOYSA-N 280.755 3.507 0 40 CHAB CC(C)COc1ccccc1[C@@H](C)NC[C@@H]1CCCO1 225162378 OKLWYSRAVNDOPU-CABCVRRESA-N 277.408 3.551 0 40 CHAB CN(C)C(=O)c1cccc(-c2nc3ccccc3s2)c1 41127514 ASKXYACRNRMDBN-UHFFFAOYSA-N 282.368 3.665 0 40 CHAB O=C(Nc1cccc2ncccc12)c1c[nH]c2ccccc12 44442361 HXYOSOXCCYSCRX-UHFFFAOYSA-N 287.322 3.968 0 40 CHAB CCCCc1ccc(NC(=O)c2ccc(OC)c(N)c2)cc1 226249993 RRESBFQVVRVLOH-UHFFFAOYSA-N 298.386 3.872 0 40 CHAB CCOC(=O)[C@H](CCN(C(C)C)C(C)C)c1ccccc1 80124922 WKVJVVGZQUOUOY-QGZVFWFLSA-N 291.435 3.842 0 40 CHAB CCN1c2c(OC)cc(C=O)cc2[C@@H](C)CC1(C)C 223180596 LIXRCHJNBQCVBA-NSHDSACASA-N 261.365 3.620 0 40 CHAB O=Cc1coc(-c2ccc(OCc3ccccc3)cc2)n1 90669471 PWWPHFYJGMNPEY-UHFFFAOYSA-N 279.295 3.733 0 40 CHAB C[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1N 95097491 BJQNTSVVPCXJNU-CYBMUJFWSA-N 279.387 3.643 0 40 CHAB NC1(c2cccc3cccc(Br)c23)CC1 258670086 VJAUMNLNOTUJMZ-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB CC(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C)[C@H]2C)cc1 14201951 DZOKHJLSFKOOIC-OGHNNQOOSA-N 274.408 3.559 0 40 CHAB Cc1ccccc1-c1cc(C=O)cc2c1OCCCO2 1535184709 WKGSWBLNZAFYIY-UHFFFAOYSA-N 268.312 3.636 0 40 CHAB C[C@H]1CCCCN1C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 105766632 AOVYCUDSBDWJDJ-VNHYZAJKSA-N 275.392 3.737 0 40 CHAB CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2)cc1 5703965 AYAKQWGEBCCOLM-UHFFFAOYSA-N 297.354 3.687 0 40 CHAB c1cnc2[nH]nc(C3CCN(CC4CCCCC4)CC3)c2c1 12186665 CMJIVRRHNDCPNQ-UHFFFAOYSA-N 298.434 3.718 0 40 CHAB Cc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2ncnn21 13131666 POGWTRRCYJWWKQ-SJORKVTESA-N 290.370 3.733 0 40 CHAB aggregator Cc1cc(C)cc(Oc2cncc([C@H]3CCCN3)c2)c1 2037873388 GLPHZVNTSIWENW-QGZVFWFLSA-N 268.360 3.915 0 40 CHAB Cc1ccc(N2C(=O)[C@@H]3CC[C@@](C)(C2=O)C3(C)C)cc1C 100053790 VWYJCKFOLRKAAP-KSSFIOAISA-N 285.387 3.619 0 40 CHAB O=C(NC1CCCC1)c1csc(Nc2ccccc2)n1 23136823 BFUNHNUYVPFGRT-UHFFFAOYSA-N 287.388 3.559 0 40 CHAB Cc1cccc(Cl)c1C(=O)COc1ccccc1 575243053 HVSXDXIRVAZJLH-UHFFFAOYSA-N 260.720 3.910 0 40 CHAB CSc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1 40104225 RONIRFOEOHBDSN-JTQLQIEISA-N 252.383 3.575 0 40 CHAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1NCc1ccccc1 20123870 AZMSSTLCDUXVEG-GOSISDBHSA-N 298.430 3.615 0 40 CHAB Nc1nc(COc2cc(Cl)ccc2Cl)cs1 20393067 LUCKPEUTJOIGFI-UHFFFAOYSA-N 275.160 3.611 0 40 CHAB O[C@@H](CNCc1ccc(Cl)c(Cl)c1)c1ccccc1 20509358 WQSDSDPSYHICRT-HNNXBMFYSA-N 296.197 3.817 0 40 CHAB O=c1oc2ccccc2cc1-c1nc2c(s1)CCCC2 379075 SFJKZOXUHRJAIO-UHFFFAOYSA-N 283.352 3.795 0 40 CHAB Cc1cccc(OCCCn2c(=O)oc3ccc(C)cc32)c1 2668942 PPPCUNSSWONMHM-UHFFFAOYSA-N 297.354 3.680 0 40 CHAB CCCOc1ccc(OCC(=O)c2ccccc2)cc1 1683652 WDGAPNPHHJGVRF-UHFFFAOYSA-N 270.328 3.737 0 40 CHAB COc1ccccc1C(=O)c1ccc(Cl)c(F)c1 2574617 UFYGWHHMAWVATK-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102213140 GIZUHUTZKZGUSF-PLYYQAHHSA-N 297.398 3.571 0 40 CHAB O=C(CCSCc1ccccc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100098920 YNBNIRZUMMKNMA-OAGGEKHMSA-N 289.444 3.615 0 40 CHAB CCC[C@H]1SCCN1C(=O)/C=C/c1c(F)cccc1F 76017305 PMMPAUCGCVNNPL-MVGZEHJDSA-N 297.370 3.680 0 40 CHAB COc1ccc2c(c1)CCCN2C(=O)Cc1ccccc1C 24875792 HPVVOCZNOCEBEC-UHFFFAOYSA-N 295.382 3.526 0 40 CHAB c1ccc(N2C34[C@@H]5CC[C@H](C5)C23[C@@H]2CC[C@@H]4C2)cc1 104292307 QPYBRXVRASWGTM-GTLRFNFJSA-N 251.373 3.844 0 40 CHAB Clc1ccc([C@H]2CCCN2c2ncnc3c2CCC3)cc1 76920850 LLHQNGLJBZQTBE-MRXNPFEDSA-N 299.805 3.960 0 40 CHAB COc1ccc(C(=O)CCc2cccs2)cc1OC 111453678 MVQYTEPUJHYFKX-UHFFFAOYSA-N 276.357 3.581 0 40 CHAB COc1ccccc1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 12618725 ZFWKQXHVVWWVON-INIZCTEOSA-N 299.395 3.659 0 40 CHAB Cc1cccc(NC(=O)NCCc2ccccc2C)c1 12768198 ZQRCUALDYMGRLN-UHFFFAOYSA-N 268.360 3.668 0 40 CHAB CCOc1ccc(NC(=O)N[C@H](C)c2ccccn2)cc1C 64546886 ZWONSGXJACDDFJ-CYBMUJFWSA-N 299.374 3.671 0 40 CHAB N#CCc1c(Cl)cc(OC(F)(F)F)cc1Cl 39712962 CAYWAGKSHGLSJS-UHFFFAOYSA-N 270.037 3.958 0 40 CHAB CCCCc1ccc(NC(=S)N2CCCC2)cc1 13825740 LUDAMWSZJVOJTF-UHFFFAOYSA-N 262.422 3.822 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc1 5611143 RJXSZMYOAINQHP-KPKJPENVSA-N 293.366 3.836 0 40 CHAB Cc1occc1C(=O)Nc1ccc(F)cc1Cl 19679119 CFAGZYLNLXVTOY-UHFFFAOYSA-N 253.660 3.633 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1C 19169257 AREJFFVVICZGQR-UHFFFAOYSA-N 297.354 3.717 0 40 CHAB O=C(/C=C/c1ccco1)Nc1cccc2c1CCCC2 15302696 DRRZNQUCGDZTNU-ZHACJKMWSA-N 267.328 3.810 0 40 CHAB COc1ccc(C)cc1CC(=O)Nc1cc(C)ccc1OC 8075810 JDXZNSQYXOBMQD-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C)c(F)c2)c(F)c1 9315817 RTWOQRFFOPWLPR-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1nc2c(-c3ccccc3)cnn2c(C)c1Cl 9592616 AZSMLYGHEFTLRO-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB NCc1ccc(Oc2ccc(Br)cc2)cc1 20470234 LBVQJDMFVIQBPS-UHFFFAOYSA-N 278.149 3.700 0 40 CHAB O=C(O[C@H](c1ccccc1)c1ccccn1)C1CCC1 73669891 OARBZKKHFOJIEZ-MRXNPFEDSA-N 267.328 3.514 0 40 CHAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 29145348 SABAOKNKMPSNPB-CQSZACIVSA-N 299.370 3.547 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCCCCC1 20104651 YPBPFJAJXUACPB-INIZCTEOSA-N 275.392 3.555 0 40 CHAB N[C@H](c1ccccc1)c1ccc(OCc2ccccc2)nc1 72225397 CUDSFAFYIALOFR-LJQANCHMSA-N 290.366 3.709 0 40 CHAB CCCC[C@@H](OC)c1ccc(SCC(=O)O)cc1 72220270 QTKRNNPVEMHLMP-CYBMUJFWSA-N 268.378 3.741 0 40 CHAB O=C(Nc1cnc2ccccc2c1)Oc1ccccc1 70274950 JQFIWELAGHWNIN-UHFFFAOYSA-N 264.284 3.846 0 40 CHAB C[C@H](c1ccccc1F)[S@](=O)Cc1ccccc1F 78556012 DNIVAAJVHYLDPB-WYRIXSBYSA-N 280.339 3.975 0 40 CHAB CCOC(=O)c1sc(Nc2cccc(F)c2)nc1C 70451596 TUROPDBYWTUUOQ-UHFFFAOYSA-N 280.324 3.511 0 40 CHAB COc1cccc([C@@H](O)c2cccc(Br)c2)c1 37532686 WIGBNHMSXYXOQZ-AWEZNQCLSA-N 293.160 3.539 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1ccc(F)c(F)c1F 61838041 UIZKUDNMKDZRNI-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB Cc1cccc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)c1 48325228 OZLJOVLCSSQZNI-OAHLLOKOSA-N 297.402 3.641 0 40 CHAB CCn1cc(OCc2nc(-c3ccsc3)oc2C)cn1 225710373 OGYMLNJFSHXBDJ-UHFFFAOYSA-N 289.360 3.507 0 40 CHAB Cc1cc(N)cc2nc(/C=C/c3ccccc3)oc12 226249919 WTTKIDQTHIYVJM-BQYQJAHWSA-N 250.301 3.889 0 40 CHAB CC(C)c1ccc(OC2CCNCC2)c(Br)c1 42774709 IFNRFEDHMWVQNW-UHFFFAOYSA-N 298.224 3.703 0 40 CHAB CCCc1nccn1Cc1ncc(-c2cccc(F)c2)o1 95441054 UVPBGQRJKLHNMD-UHFFFAOYSA-N 285.322 3.678 0 40 CHAB Cc1ccc([C@@H](C)NCc2noc(-c3ccsc3)n2)o1 97374018 ZYRBSMCLSMIRFS-SNVBAGLBSA-N 289.360 3.550 0 40 CHAB Clc1cnccc1N1CCC[C@@H](c2nccs2)C1 95994718 XQOZLYZJIQQUIV-SNVBAGLBSA-N 279.796 3.576 0 40 CHAB Cc1cccc(NC2CCN(C(=O)[C@H]3CC=CCC3)CC2)c1 98013103 LELDGGZQJHPZIH-INIZCTEOSA-N 298.430 3.754 0 40 CHAB CCc1ccc(C(=O)c2ccc(F)c(OC)c2)cc1 89064251 VIDZZTJXCDIEPP-UHFFFAOYSA-N 258.292 3.628 0 40 CHAB CCSc1ccccc1NC(=O)NCc1ccncc1 47856133 ZOZCILNAQDTKMS-UHFFFAOYSA-N 287.388 3.515 0 40 CHAB COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C](C2)N(C)CC3 1560410036 SNDDLBMGSVNPOG-MAUKXSAKSA-N 270.396 3.547 0 40 CHAB CC(=O)N(C1=C[C@@H](C)Nc2ccccc21)c1ccccc1 5739122 ALBFGQWZWQCUFQ-CYBMUJFWSA-N 278.355 3.895 0 40 CHAB Cc1cccc(NC(=O)CCc2ccc(Cl)cc2)n1 13283045 VMDUBFKONSGCME-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB Cc1ccccc1OCC(=O)Nc1cccc(OC(C)C)c1 14796288 VFQFHFNRKMLMSY-UHFFFAOYSA-N 299.370 3.800 0 40 CHAB N#[N+]Nc1ccsc1C(=O)Nc1ccc(Cl)cc1 15022760 RIKRLYJIPFYARM-UHFFFAOYSA-O 279.732 3.834 0 40 CHAB O=C(O)/C=C/c1csc(-c2ccc(Cl)cc2)n1 1567275 BICYJZAZESUKND-AATRIKPKSA-N 265.721 3.561 0 40 CHAB CCn1c([C@H](F)C(F)(F)F)[n+](CC)c2ccccc21 1496630 ZQYJRWVKDAIIFW-NSHDSACASA-N 275.269 3.542 0 40 CHAB Cc1csc2nc(-c3ccc(NC(=O)C4CC4)cc3)cn12 5083732 ZEMSHPHBQWBODS-UHFFFAOYSA-N 297.383 3.720 0 40 CHAB COC(=O)CCCC(=O)c1c(C)c(C)c(C)c(C)c1C 575358950 ZGQXBPSQZKOABL-UHFFFAOYSA-N 276.376 3.755 0 40 CHAB CCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 2576403 YMGLMEIZDQKJBW-UHFFFAOYSA-N 282.295 3.564 0 40 CHAB in-vitro Cc1ccccc1-n1nc(C(=O)O)cc1-c1ccccc1 198424 HVMRXJIAQBCGKL-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB C[C@H]1CN(c2nc(-c3ccc(F)cc3)cs2)C[C@H](C)O1 1059873 MUROXLDNBJXKAX-QWRGUYRKSA-N 292.379 3.563 0 40 CHAB Cc1c(-c2nnc(-c3ccccn3)o2)oc2ccccc12 20727806 OCQLXHXXMOBVJR-UHFFFAOYSA-N 277.283 3.853 0 40 CHAB O=C1CC2(CCCC2)C(=O)N1c1cccc2ccccc12 1565514 CNWBCPWKAXIJKF-UHFFFAOYSA-N 279.339 3.664 0 40 CHAB CCCCOC(=O)C[C@H](c1ccccc1)N1CCCCC1 1569382 WQDZHQZKJMNOAY-QGZVFWFLSA-N 289.419 3.947 0 40 CHAB in-man CC(C)O[C@H](c1ccccc1)c1ccccc1C(=O)O 2037082 VMKVYJXTRGQQNP-MRXNPFEDSA-N 270.328 3.899 0 40 CHAB COCc1cccc(C(=O)Nc2cccc3cnccc23)c1 21218383 XEXKLFGPGUFKNR-UHFFFAOYSA-N 292.338 3.634 0 40 CHAB O=C(c1ccc(O)c(Cl)c1)N1CC[C@H]2CCCC[C@@H]2C1 32845336 IOHSTBGPPGIDDJ-DGCLKSJQSA-N 293.794 3.698 0 40 CHAB CSc1nc2c(-c3ccc(C)cc3)csc2c(=O)[nH]1 21658125 FFIZVYQMGWBILJ-UHFFFAOYSA-N 288.397 3.682 0 40 CHAB O=C(O)c1ccc(-c2ccc(/C=C\[N+](=O)[O-])o2)cc1Cl 23411613 NRRRRXCBAVLZAB-WAYWQWQTSA-N 293.662 3.546 0 40 CHAB CN(C)C(=S)Cc1ccc(Oc2ccccc2)cc1 1385230 RNJSVIQOVUIDMK-UHFFFAOYSA-N 271.385 3.910 0 40 CHAB Cc1ccc(Cn2cnc3c(N)c(C)c(C)cc32)cc1 1385938 BTNZQMPXHVBKEC-UHFFFAOYSA-N 265.360 3.592 0 40 CHAB COC(=O)C[C@@]1(C)O[C@H]2CCCC[C@@H]2C2=CCCC[C@H]21 102806705 WNVJVFWHEQPCPV-PNBKFKSVSA-N 278.392 3.624 0 40 CHAB Cc1[nH]c2ccc(C(=O)NCCC(C)C)cc2c1C 12979098 SCBDNOSVTJQMMC-UHFFFAOYSA-N 258.365 3.561 0 40 CHAB Cc1cc(C)cc(NC(=O)c2noc3c2CCCCC3)c1 20345376 BOPGZCCSPDHTRM-UHFFFAOYSA-N 284.359 3.813 0 40 CHAB COc1ccc(NC(=O)CSCc2cccs2)cc1 6145784 HWKWQXCVXLDRTE-UHFFFAOYSA-N 293.413 3.629 0 40 CHAB CN(Cc1ccccc1)Cc1cn[nH]c1-c1ccccc1 4678800 VYMBQQUKOQCQCF-UHFFFAOYSA-N 277.371 3.709 0 40 CHAB Cc1ccccc1C(=O)Nc1nc2c(s1)CCCC2 4679987 ZOJBQVQGMFZDEQ-UHFFFAOYSA-N 272.373 3.583 0 40 CHAB O=C(Nc1ccc(F)cc1Cl)[C@H]1CC=CCC1 15010038 HPPFDSOEJJGADS-VIFPVBQESA-N 253.704 3.774 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1cc(F)cc(F)c1 15975722 MWBWGGWWIQHDNQ-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB O=C1N=C(Nc2cccc(F)c2)/C(=C/c2ccncc2)S1 71283986 PQRCKSPRZYVJPH-JYRVWZFOSA-N 299.330 3.939 0 40 CHAB Cc1cc(C(=O)N2CCCC[C@H]2C)c2ccccc2n1 68970267 DCQFQWDYPQMBDO-CYBMUJFWSA-N 268.360 3.558 0 40 CHAB O=c1oc2cc(O)ccc2c(O)c1-c1ccc(Cl)cc1 9183940 ABZALUTZTAJOSW-UHFFFAOYSA-N 288.686 3.525 0 40 CHAB biogenic CSc1ccc(NC(=O)c2ccnc(F)c2)cc1Cl 72310333 SDCYUROWGBOIFT-UHFFFAOYSA-N 296.754 3.848 0 40 CHAB Cc1c(C(=O)N(C)C2CCC2)oc2c(F)cccc12 75147797 CMNFLNIMDLRWQH-UHFFFAOYSA-N 261.296 3.505 0 40 CHAB CC(C)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1 26439285 CABHESZBHVHQKB-UHFFFAOYSA-N 264.328 3.714 0 40 CHAB Cc1ccc(C(=O)C(Cl)(Cl)Cl)c(F)c1 306678638 ASICRAJITPUGDY-UHFFFAOYSA-N 255.503 3.687 0 40 CHAB O=C(O)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 32918459 PVEKMDBFUUBMQB-UHFFFAOYSA-N 292.294 3.634 0 40 CHAB FC(F)(F)c1cc(C2CC2)nc(NCc2ccccc2)n1 36612849 JZFCSPNZNBQLFT-UHFFFAOYSA-N 293.292 3.985 0 40 CHAB Nc1ccc(OCc2ccc(Cl)c(Cl)c2)c(CO)c1 216853817 BEBPWNMNRRQXGN-UHFFFAOYSA-N 298.169 3.647 0 40 CHAB Cc1ccc(-c2csc(N3CCSCC3)n2)cc1 72052435 ZTLFLSOTKPQPCJ-UHFFFAOYSA-N 276.430 3.672 0 40 CHAB Cc1cc([C@@H]2CCCN2C(C)C)cnc1N1CCCCC1 72219159 CATOTQZNNYHYRF-KRWDZBQOSA-N 287.451 3.926 0 40 CHAB CCCN1CCCC[C@H]1c1cccnc1OC(C)C 72211978 XBPAHAWJYVGVIN-HNNXBMFYSA-N 262.397 3.806 0 40 CHAB Nc1ccc(O)c(-c2nc3c(Cl)cccc3s2)c1 45920791 KZBZXSDXJMFSLK-UHFFFAOYSA-N 276.748 3.905 0 40 CHAB Cc1ccc(O[C@H](Cc2cc(C)cc(C)c2)C(=O)O)cc1 225036177 ZZKHDZROYZRERV-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1 43079193 VGEXAOICVWGPEI-RAXLEYEMSA-N 282.730 3.886 0 40 CHAB CC(=O)Nc1ccc(CNc2ccc3scnc3c2)cc1 192257090 MINJSVBQCWZBTG-UHFFFAOYSA-N 297.383 3.867 0 40 CHAB COC(=O)c1cccc(NC(=O)c2cc(C)c(C)cc2C)c1 225645473 NHLIFQWBWIXUJS-UHFFFAOYSA-N 297.354 3.651 0 40 CHAB Cc1ncc(CN(C)C(=O)CCC2CCCCC2)s1 46772312 WRAGFZXNIBELNU-UHFFFAOYSA-N 280.437 3.770 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccccc2)cc1C 225762723 TYBWBCRTRUMCDK-UHFFFAOYSA-N 253.345 3.875 0 40 CHAB c1ccc(CNCc2csc(C3CCC3)n2)cc1 95093915 YYDXVCKQUMHTKA-UHFFFAOYSA-N 258.390 3.700 0 40 CHAB CO[C@@H](C)c1nc(Cl)cc(-c2cccc(F)c2)n1 96529149 CFXCWOWJFZBMGM-QMMMGPOBSA-N 266.703 3.644 0 40 CHAB CCOC(=O)c1cc(C)c(O[C@H](C)CC)c(C)c1 95095324 HJHKPBGFYBLHAS-GFCCVEGCSA-N 250.338 3.657 0 40 CHAB C[C@@H](C(=O)N[C@@H](C)C(C)(C)C)n1cc(-c2ccccc2)cn1 257173275 IFRMUHOROULFRS-KBPBESRZSA-N 299.418 3.662 0 40 CHAB c1ccc(CN(Cc2cscn2)Cc2ccco2)cc1 58048967 HEVULISSDXEKRZ-UHFFFAOYSA-N 284.384 3.939 0 40 CHAB O=C(Nc1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 16489396 VWBIGBXHXKNARH-ZIAGYGMSSA-N 258.365 3.731 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC)cc1 14022411 OHGDZPVCAPFVDP-KRWDZBQOSA-N 299.370 3.800 0 40 CHAB Cc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1 16644976 XNSHWJDEMATYQR-AWEZNQCLSA-N 285.412 3.792 0 40 CHAB C[C@H]1CCCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C1 19496567 VDPLXOGYOJQZNK-BBRMVZONSA-N 299.418 3.646 0 40 CHAB Cc1cccc(NC(=O)CN(C2CC2)[C@H](C)C2CC2)c1C 31653733 GSDWQSDWQGUNGT-CQSZACIVSA-N 286.419 3.505 0 40 CHAB CCOc1ccc2nc(NC(=O)CC(C)C)sc2c1 363333 FFJSBBKLQYLOSA-UHFFFAOYSA-N 278.377 3.680 0 40 CHAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(Cl)cc1 6883300 FCUJTLQCFAGEOA-TUAOUCFPSA-N 278.783 3.898 0 40 CHAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2)cc1 7294643 NGDJMOQONZVACH-GFCCVEGCSA-N 287.384 3.815 0 40 CHAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc1C 101988530 YLMYQOXLBCWUBR-ASEORRQLSA-N 277.433 3.919 0 40 CHAB Cc1cc2cc(NC(=O)c3n[nH]c4ccccc34)ccc2[nH]1 32828573 MUDFVAWDEODKKM-UHFFFAOYSA-N 290.326 3.605 0 40 CHAB Cc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)n1 11907783 QBWFFHFKTYADJQ-UHFFFAOYSA-N 277.327 3.901 0 40 CHAB CCc1ccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 102589662 WWLPNFYHGAJCAR-OWTLIXCDSA-N 277.433 3.865 0 40 CHAB Cc1cccc(-c2noc(CCc3ccccc3)n2)c1 496826 ZRRGWMZHAFEENQ-UHFFFAOYSA-N 264.328 3.830 0 40 CHAB C[C@@H]1C[C@@H](C(=O)NCC2CCCCC2)c2ccccc2N1 37260068 IBMRHXQNKOLFAK-CZUORRHYSA-N 286.419 3.671 0 40 CHAB Cc1ncsc1C(=O)N[C@H](c1cccs1)C(C)C 46764694 XZDVEPRDXSNYGR-NSHDSACASA-N 280.418 3.640 0 40 CHAB CCOc1ncccc1NC(=O)N(C)C1CCCCCC1 61523063 PWPIWSQJCPTFCS-UHFFFAOYSA-N 291.395 3.667 0 40 CHAB CC(C)c1ccc(NC(=O)[C@H](F)C(F)(F)F)cc1 3183729 PTTWPTPTRGHOSL-JTQLQIEISA-N 263.234 3.649 0 40 CHAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCO1 35208023 PYYQCBBQDMIHRR-GMSGAONNSA-N 294.704 3.733 0 40 CHAB O=C(CCC1CCCCC1)N(Cc1ccncc1)C1CC1 50822100 QFUDCJMOLWGKMJ-UHFFFAOYSA-N 286.419 3.933 0 40 CHAB O=C(O)CCCCCCC(=O)c1ccc(F)cc1F 2243641 XBNOQBIPRMRFKH-UHFFFAOYSA-N 270.275 3.573 0 40 CHAB O=C(CCC1CCCC1)Nc1ccnn1Cc1ccccc1 45289940 QSQSIVCXWOROAA-UHFFFAOYSA-N 297.402 3.840 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)c1n[nH]c(=S)n1C 17007854 XPYAWRIBYVZZLX-GFCCVEGCSA-N 277.393 3.625 0 40 CHAB Cc1cccc(C(=O)NCc2cccc(Cl)c2)c1C 3421152 ITOFURKZSCLCFL-UHFFFAOYSA-N 273.763 3.887 0 40 CHAB CC(=O)c1cccc(NC(=O)/C=C/c2cccc(F)c2)c1 3561828 BNJCIVYZTOIGBN-CMDGGOBGSA-N 283.302 3.680 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 12919594 CXKDGIHQXYZRLQ-YVEFUNNKSA-N 299.345 3.999 0 40 CHAB CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)no1 27925295 IOXHZFBULFRSQS-CHWSQXEVSA-N 284.359 3.714 0 40 CHAB COCCCNC(=O)c1oc2c(ccc3ccccc32)c1C 14197077 FBRWZBFHHKVIPY-UHFFFAOYSA-N 297.354 3.661 0 40 CHAB Cc1cc(C(=O)Nc2c(C)cccc2C)c2c(C)noc2n1 14210784 UZHQYRXAWRZWMJ-UHFFFAOYSA-N 295.342 3.709 0 40 CHAB O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccoc1 15544493 QQRHUFSKPURMNN-UHFFFAOYSA-N 292.290 3.730 0 40 CHAB C[C@H](NC(=O)c1ccccc1Cl)c1ccc(F)cc1 7304165 PSUKUVCQVWQHDO-JTQLQIEISA-N 277.726 3.970 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(F)cc1 7829313 AMMRWEIECNVXOS-JTQLQIEISA-N 275.348 3.647 0 40 CHAB COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccccc1 9454325 ARBMUNCPTMEZTL-CYBMUJFWSA-N 284.359 3.886 0 40 CHAB CCCC(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 20158411 ASYQDPMFTACHCV-UHFFFAOYSA-N 296.326 3.939 0 40 CHAB c1ccc2[nH]c(-c3ccc4nc(C5CC5)[nH]c4c3)nc2c1 68752174 UMVWDHBQGVYGKW-UHFFFAOYSA-N 274.327 3.984 0 40 CHAB CCC1(O)CCC(NC(=O)c2ccc(C(C)C)cc2)CC1 95983579 SGDQBRDVKGQYOI-UHFFFAOYSA-N 289.419 3.624 0 40 CHAB FC(F)(F)CSc1nnc2sc3ccccc3n12 74251053 DUYCJWQOZBRIJW-UHFFFAOYSA-N 289.307 3.598 0 40 CHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1ccc[nH]1 89694868 IKHDGDXBTAVULN-UHFFFAOYSA-N 284.403 3.513 0 40 CHAB O=C1C[C@@H](c2ccccc2Cl)c2ccc(O)cc2N1 66089323 MFVFAMJUAJMUMQ-LBPRGKRZSA-N 273.719 3.520 0 40 CHAB O=C(O)c1ncccc1-c1ccc(Cl)c(Cl)c1 65348610 RDUGFLZVFQWNDI-UHFFFAOYSA-N 268.099 3.754 0 40 CHAB C[Si](C)(C)c1cc(C(=O)O)c(Cl)c(Cl)c1Cl 219790100 RKTGTMNFBKZRLV-UHFFFAOYSA-N 297.641 3.890 0 40 CHAB Cc1ccccc1C(=O)N(C)Cc1ccc(Cl)s1 40162157 MKMCVRRYVHGXRJ-UHFFFAOYSA-N 279.792 3.982 0 40 CHAB COc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CC2)cc1 41510188 NNZKXSWNYCHVJC-AWEZNQCLSA-N 295.382 3.604 0 40 CHAB CCc1nc(NC(=O)c2ccc(F)cc2F)sc1C 40118981 DTHJAFKBFBKYHM-UHFFFAOYSA-N 282.315 3.544 0 40 CHAB CCC(CC)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223994913 FGNDUUIHHSZFAN-CYBMUJFWSA-N 289.419 3.638 0 40 CHAB CC[C@@H](C)NC(=S)Nc1cccc(OC(C)C)c1 225273287 IKCDONQEKOFOQY-LLVKDONJSA-N 266.410 3.559 0 40 CHAB Fc1cc(Br)ccc1N1CCCCC1 89065439 LUAKZPNBAFIKQI-UHFFFAOYSA-N 258.134 3.579 0 40 CHAB CCCNC(=S)Nc1ccc(Oc2ccccc2)nc1 223872359 WONFDXLVWZJLIT-UHFFFAOYSA-N 287.388 3.570 0 40 CHAB O=C(O)C1(c2cc(Br)cc3ccccc23)CC1 575629345 RHPYVEBGVCVBJD-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB CSCCCCNC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 84705595 DFGAJKPZXJYPPQ-UKRRQHHQSA-N 292.448 3.532 0 40 CHAB Cc1cnc(C(=O)Nc2ccc(F)cc2Cl)c(F)c1 1889133992 LNGQDFIQRHRIJL-UHFFFAOYSA-N 282.677 3.574 0 40 CHAB CC[C@@H](C)N1C(=O)S/C(=C\c2cccs2)C1=O 981086 VAVNDNCAKMXOHY-FBHKUJJOSA-N 267.375 3.583 0 40 CHAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1 15315711 SKKOQXKHXQTFFN-GFCCVEGCSA-N 287.384 3.815 0 40 CHAB O=C(O)CS[C@@H](Nc1ccccc1)c1ccccc1 16758424 AXKINVNDJGKGGD-OAHLLOKOSA-N 273.357 3.615 0 40 CHAB CCCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1 206615707 VRSJYFBTHYEVGF-RAXLEYEMSA-N 291.372 3.532 0 40 CHAB Cn1c(N/N=C/C=C/c2ccccc2)nc2ccccc21 7343390 CHBNLUCHRSMTGE-CVUDBVLYSA-N 276.343 3.684 0 40 CHAB CCc1cccc(C)c1NC(=O)Cc1ccccc1F 3548661 QWNVOYZCJQDJGK-UHFFFAOYSA-N 271.335 3.878 0 40 CHAB Cc1ccc2nc(SCC(=O)C(C)(C)C)[nH]c2c1 6017014 KJSJKKFLKMPUGP-UHFFFAOYSA-N 262.378 3.579 0 40 CHAB O=C(NCc1ccccc1)C12CCC3C[C@@H](C[C@@H](C3)C1)C2 12624071 PKOHGORCSUVXPC-RJSVMHHESA-N 283.415 3.909 0 40 CHAB CCCCOc1cccc(CNC(=O)C2CCCC2)c1 40122176 BHDGHCMMXKBDDR-UHFFFAOYSA-N 275.392 3.672 0 40 CHAB CC[C@@H](C)NCc1ccc(OC2CCCC2)c(OC)c1 32123276 SVNDDZSCDFYYMP-CYBMUJFWSA-N 277.408 3.905 0 40 CHAB CCCOc1ccccc1NC(=O)NC1CCCC1 31023652 YYLXFZSYMHJLCA-UHFFFAOYSA-N 262.353 3.540 0 40 CHAB Brc1ccc2[nH]cc(CCN3CCCC3)c2c1 40448511 OTKDIZOYQXFTDK-UHFFFAOYSA-N 293.208 3.569 0 40 CHAB CC(C)[C@H](CCN1CCOCC1)c1ccc(Cl)cc1 20573507 ZPXUGMZHJKKAIN-INIZCTEOSA-N 281.827 3.802 0 40 CHAB Cc1cccc(Oc2ccc(NC(=O)CCC(=O)O)cc2)c1 277198 RUBSSSBMEZHRPQ-UHFFFAOYSA-N 299.326 3.591 0 40 CHAB COc1cccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 8237627 GHDFBAYKGIEKCQ-LBPRGKRZSA-N 295.338 3.932 0 40 CHAB O=C(NCc1ccccc1)C1(c2ccccc2)CCCC1 2573554 VIMOTOGIDRJWIQ-UHFFFAOYSA-N 279.383 3.815 0 40 CHAB O=C(O)C[C@@H](CC(=O)c1ccccc1)c1ccccc1 338870 ZOKVLFUFXBUTKQ-OAHLLOKOSA-N 268.312 3.518 0 40 CHAB COCc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C 46033215 YKSGVQNFCPBWIP-GXTWGEPZSA-N 276.380 3.533 0 40 CHAB CCCCOC(=O)c1ccc(OC(=O)c2ccccc2)cc1 1663846 MGKPNDRPWCSSQO-UHFFFAOYSA-N 298.338 3.863 0 40 CHAB CC(=O)O[C@H](C)COc1ccc(-c2ccccc2)cc1 2046278 HFBHZHOTVJWLNL-CYBMUJFWSA-N 270.328 3.684 0 40 CHAB COc1ccccc1NC(=O)c1cc(C)cc(C)c1 385066 FONWIBSVHHJKMP-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB O=Cc1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 359472 CKNRGWKWGXHAFI-UHFFFAOYSA-N 299.395 3.621 0 40 CHAB Cc1cc(C(=O)N2CCc3ccccc32)c2ccccc2n1 2616436 ZMRASYUSRZLLSF-UHFFFAOYSA-N 288.350 3.746 0 40 CHAB CCN(CC)C(=S)S[C@H](C)n1ccc(C)c1C 6636669 JQSZYABIOJIUOY-GFCCVEGCSA-N 270.467 3.983 0 40 CHAB CC(C)=CC(=O)N[C@@H](C)c1ccc(Br)cc1 22833347 YDQHFOPDMNEMIM-JTQLQIEISA-N 282.181 3.593 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(C)cc1C 22367282 CVXFRCBHWZHKPT-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB O=C(Nc1ccncc1)c1ccc(SC(F)(F)F)cc1 12533262 IZQSVBRCGJVWGT-UHFFFAOYSA-N 298.289 3.946 0 40 CHAB CCS[C@H]1CC[C@H](N(C)Cc2csc(C)n2)C1 78947882 SPHOTXIWNLCTLH-STQMWFEESA-N 270.467 3.558 0 40 CHAB CN(Cc1ccco1)C(=O)c1ccc2ccccc2c1 10030574 CVUOOZVFTJVOHF-UHFFFAOYSA-N 265.312 3.705 0 40 CHAB Fc1ccc(-c2nc(CSc3ccccn3)no2)cc1 36397617 CUOJSQPZNNTGOF-UHFFFAOYSA-N 287.319 3.563 0 40 CHAB O=C(CC1CCCC1)NCc1coc(-c2cccs2)n1 10875404 KQCYHUUSRUIPIE-UHFFFAOYSA-N 290.388 3.600 0 40 CHAB Fc1ccc(-c2csc(NC3CC3)n2)c(F)c1 12753095 KMSYZTDDVDGQCW-UHFFFAOYSA-N 252.289 3.663 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2cccnc2)c(C)c1 13331953 ABGSXQIXTHXDQX-CYBMUJFWSA-N 269.348 3.581 0 40 CHAB CC1CCN(Cc2cc(Br)ccc2F)CC1 65208357 IJHWVUOLVBZFBS-UHFFFAOYSA-N 286.188 3.820 0 40 CHAB N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 8710247 MWNJYDIIEMBKTE-ZDUSSCGKSA-N 291.276 3.630 0 40 CHAB CC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 6376839 DCSFDNFOLKOZGJ-UHFFFAOYSA-N 287.384 3.912 0 40 CHAB O=C1Oc2ccccc2/C1=C\c1ccc(Cl)cc1 14077397 FUSJZGCVHVMNPT-UKTHLTGXSA-N 256.688 3.800 0 40 CHAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 4525547 NXSOHIGGBSRJBY-BONVTDFDSA-N 298.411 3.727 0 40 CHAB Cc1ccc(-c2cnc(NC(=O)c3ccccc3)n2C)cc1 4678389 MOTUAVMJBVAUIA-UHFFFAOYSA-N 291.354 3.648 0 40 CHAB C[C@@H](NC(=O)c1ccco1)c1ccc2c(c1)CCCC2 4656400 ONGCVDMSRPAXDP-GFCCVEGCSA-N 269.344 3.649 0 40 CHAB Fc1ccc(-c2cc(C(F)(F)C(F)F)[nH]n2)cc1 8973571 JZYVLTMFWUXSIH-UHFFFAOYSA-N 262.181 3.573 0 40 CHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 15938324 UCHUGNGIDMNZIY-UWVGGRQHSA-N 298.169 3.673 0 40 CHAB Cc1cc(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)ccc1F 16738458 AGAHXZNZDCBNEG-KGLIPLIRSA-N 298.313 3.849 0 40 CHAB COc1cc(C)ccc1OCc1nnc(-c2ccccc2)o1 9256868 XIGCTVUNJUNTFZ-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB O=C(NCc1ccc(F)cc1Cl)c1cc(F)ccc1F 72331766 ZSOXJTNPMLNXNJ-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB Cc1c(NCc2cscn2)cccc1OC(F)F 95429006 FSOSEYQLNVMUTF-UHFFFAOYSA-N 270.304 3.665 0 40 CHAB CC(=O)c1cccc(NC(=O)c2c(C)oc(C)c2C)c1 9909181 ZJEFCKSINGFWBM-UHFFFAOYSA-N 271.316 3.660 0 40 CHAB CSCC1(CN2CCC[C@@H]2c2ccc[nH]2)CCC1 89493459 WTEUUNIXPKFWPO-CQSZACIVSA-N 264.438 3.685 0 40 CHAB CCc1ccc2occ(CC(=O)Nc3cccc(C)n3)c2c1 27587415 VPGKFFATMMUYEW-UHFFFAOYSA-N 294.354 3.880 0 40 CHAB C1=C(c2ccccc2)CCN(Cc2nc3ccccc3[nH]2)C1 52716466 DZNZGCABZHIRPU-UHFFFAOYSA-N 289.382 3.852 0 40 CHAB Cc1ccc(CNC(=O)c2cc(-c3ccco3)cs2)o1 72259977 DBECHWSGERBPKE-UHFFFAOYSA-N 287.340 3.840 0 40 CHAB COC(=O)c1cc2cc(Cl)cc(Br)c2o1 78582750 HLFJSQWKNDQPLQ-UHFFFAOYSA-N 289.512 3.635 0 40 CHAB COc1ccc2c(C(=O)O)cc(-c3ccccc3)nc2c1 34488497 CVNYMEQAFAUKOK-UHFFFAOYSA-N 279.295 3.609 0 40 CHAB CCN(CC)c1ncccc1[C@H]1CCCN1CC(C)C 72212900 OEWXVBAERRMTRZ-MRXNPFEDSA-N 275.440 3.721 0 40 CHAB CN1CCC[C@H]1c1cccnc1SC(C)(C)C 72217406 FKHNWBAOQJNUMU-LBPRGKRZSA-N 250.411 3.739 0 40 CHAB COC(=O)[C@@H](C)N1c2cc(C)ccc2C(C)=CC1(C)C 223192160 FPFWAUMANLNYKX-CYBMUJFWSA-N 273.376 3.558 0 40 CHAB Cc1ccc(SCC(=O)NCC2=CCCCC2)cc1 223388184 WQUPLLFHKMRUBX-UHFFFAOYSA-N 275.417 3.704 0 40 CHAB COc1ccc(-c2cnc(-c3cccc(N)c3)o2)cc1 226102962 HAGBIOZDDXVLGS-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB CC(C)Oc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1 226274506 VOXRSSKBZWJTON-CYBMUJFWSA-N 299.370 3.779 0 40 CHAB COc1ccc(CC(=O)NC(C)(C)CC(C)(C)C)cc1C 225107121 BLZBOQCYAXHYJU-UHFFFAOYSA-N 291.435 3.877 0 40 CHAB Cc1ccc(NC(=O)N(CC(C)C)C2CC2)cc1F 43280869 XKOAYISURUAERR-UHFFFAOYSA-N 264.344 3.786 0 40 CHAB Cc1cocc1C(=O)N1CCC[C@@H]1c1ccccc1 527759939 CZISKDWQSVTIOO-OAHLLOKOSA-N 255.317 3.565 0 40 CHAB CC[n+]1cccc(-c2nc3ccc(Cl)cc3s2)c1 226776702 LLXCTMVNQWRVPR-UHFFFAOYSA-N 275.784 3.924 0 40 CHAB COc1ccc(CCC(=O)NC2CCCCCC2)cc1C 222713969 WAGNTOIHBCPUSS-UHFFFAOYSA-N 289.419 3.775 0 40 CHAB COc1cccc(-c2ncc(-c3cccc(N)c3)o2)c1 226102898 GKRUBEKOTIRNKH-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB CC(C)CCC(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1 96443826 JKVIWLSWIWBDBS-AWEZNQCLSA-N 297.402 3.757 0 40 CHAB CC(C)Oc1ccc(NCc2cccnc2)c(F)c1 95448771 DVPTVQNDBQIJFI-UHFFFAOYSA-N 260.312 3.620 0 40 CHAB Fc1ccc(CN2CCC[C@H]2c2cnccn2)c(Cl)c1 257225865 FIEVYVIGIOSXSF-HNNXBMFYSA-N 291.757 3.606 0 40 CHAB C[C@H]1CCCN(c2cccc(Br)c2)C1 95915516 XACVYJXATVSXFN-JTQLQIEISA-N 254.171 3.685 0 40 CHAB O=C(O)C1(c2cc(Br)c3ccccc3c2)CC1 575629322 QFBDFOVPQXQWFH-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB CN(C)[C@H](CC1CC1)C1(c2ccc(F)cc2)CCC1 575410807 JQCWBACQDCWDHQ-MRXNPFEDSA-N 261.384 3.978 0 40 CHAB Cc1ccc(C)c(NCc2nc(-c3ccco3)no2)c1 44069506 NGSQJFQUJBZEAU-UHFFFAOYSA-N 269.304 3.559 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC(COc2ccccc2)CC1 55423944 VBAVRKFIIZVNON-QGZVFWFLSA-N 299.414 3.660 0 40 CHAB C[C@H]1CCCCN1Cc1ccc(NC(=O)c2cc[nH]c2)cc1 68283743 SOBKUNYMNGXAQK-AWEZNQCLSA-N 297.402 3.641 0 40 CHAB Cc1ccc(N2CCN(c3ccc(C)cc3)CC2)cc1 49136 STXVIIFFMIFKSD-UHFFFAOYSA-N 266.388 3.630 0 40 CHAB CCc1ccc(OCC(=O)Nc2ccccc2C)cc1 1512890 XZUVYMDIJSZBNV-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1=O 34644576 OOUVAHYYJVOIIB-BBRMVZONSA-N 299.757 3.785 0 40 CHAB in-vitro Cc1cc(NC(=O)Nc2cccc3ccccc23)n[nH]1 6412800 RGCFYSNTXQIOMF-UHFFFAOYSA-N 266.304 3.515 0 40 CHAB C[n+]1ccccc1/C=C/c1cc(Br)cs1 5002312 IFQKTTATGIMGOE-AATRIKPKSA-N 281.198 3.506 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1 5043813 NULHJLDBQDFZDV-RKVPGOIHSA-N 271.404 3.940 0 40 CHAB CCc1cccc(C)c1NC(=O)COc1ccccc1F 5104435 RAXJPQQKOFVMHZ-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB O=C(Nc1cccc(Cl)c1)Nc1ccc2cn[nH]c2c1 5323123 WAOIRZMIXSVLFH-UHFFFAOYSA-N 286.722 3.860 0 40 CHAB O=C(c1cc2ccccc2s1)N1CCOc2ccccc21 12360312 HQKFYSGYHJQEIQ-UHFFFAOYSA-N 295.363 3.941 0 40 CHAB CC(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 12908594 XUTVEQSIWASUGM-KRWDZBQOSA-N 281.355 3.752 0 40 CHAB O=C(/C=C\c1ccccc1)N1CCCc2ccccc21 17376339 SFOVHKYYGVAXCU-SEYXRHQNSA-N 263.340 3.679 0 40 CHAB C[C@H](Cc1ccoc1)NC(=O)C12CC3CC(CC(C3)C1)C2 206662312 FIGMTPWZZUDIRM-XSOSOZTNSA-N 287.403 3.543 0 40 CHAB CCCCC[C@@H](/C=C/C(=O)OCC)O[C@H]1CCCCO1 1857788555 GSEOPYZMKPSQQR-FCBZUWDESA-N 284.396 3.598 0 40 CHAB O=C1C[C@H](c2cccc(F)c2F)c2sccc2N1 12428425 SMSYEHMKADQMOU-MRVPVSSYSA-N 265.284 3.500 0 40 CHAB Cc1ccc([C@@H](NC[C@H]2CCCCO2)C2CC2)cc1 51099996 GBZAHSJSEPBFNM-IAGOWNOFSA-N 259.393 3.605 0 40 CHAB CCc1ccc(C(=O)c2c[nH]c3ccc(C)cc3c2=O)cc1 248781 MCNFBRANSXLTNG-UHFFFAOYSA-N 291.350 3.630 0 40 CHAB COc1ccccc1C(=O)Oc1cc(C)cc(C)c1 129719 MXRXHWVGEIRHMR-UHFFFAOYSA-N 256.301 3.531 0 40 CHAB CC(C)C(=O)n1nc2c(c1C(C)(C)C)C(=O)c1ccccc1-2 2582090 KHLCBWWKSNFZDU-UHFFFAOYSA-N 296.370 3.688 0 40 CHAB Cc1cc(C)c(NC(=O)COc2ccccc2C)c(C)c1 349232 HUHWFAUTSQVOFG-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB O=Cc1cc(Cc2cccc3ccccc23)ccc1O 570144 UDDZEYYFAKJKKF-UHFFFAOYSA-N 262.308 3.949 0 40 CHAB CC(C)NC(=O)c1ccc(CSc2ccccc2)o1 11859871 YJZSDYRBMNBUOE-UHFFFAOYSA-N 275.373 3.710 0 40 CHAB O[C@@H]1c2c(ccc3ccccc23)CC[C@@H]1N1CCCCC1 1569694 BYQHQQHJLPNULE-HKUYNNGSSA-N 281.399 3.674 0 40 CHAB O=C1[C@H](CN2CCCCC2)CCC[C@H]1c1ccccc1 1637850 YZZLWLVHJAYMRB-IRXDYDNUSA-N 271.404 3.625 0 40 CHAB Cc1ccc([C@@H]2CN(C)CC[C@]2(O)c2ccc(C)cc2)cc1 1719766 BVTSSYHMGQTDKX-PMACEKPBSA-N 295.426 3.610 0 40 CHAB Fc1ccc(C2=Nc3ccc(F)cc3C(C3CC3)=NN2)cc1 6251319 BKBURDSSUOEFIQ-UHFFFAOYSA-N 297.308 3.760 0 40 CHAB c1cc(C2CCCCC2)ccc1C1=Nn2cnnc2SC1 6321977 QXNAMCYQMPXDKA-UHFFFAOYSA-N 298.415 3.684 0 40 CHAB Cc1ccc(NC(=O)c2cnn(C(C)(C)C)c2C)cc1F 32932024 ZLSUWUHIVWCCMT-UHFFFAOYSA-N 289.354 3.646 0 40 CHAB COc1ccc(C(=S)NCc2ccccc2Cl)cc1 9188173 VAJSDKBJYUZWMS-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB CN(C)c1ccc(NC(=O)c2cccc3ccccc23)cn1 22418843 PDSZFXNKAADJHE-UHFFFAOYSA-N 291.354 3.553 0 40 CHAB CCN(CC)Cc1ccc(Br)cc1Cl 60876231 USGAUDXKLRQQTO-UHFFFAOYSA-N 276.605 3.944 0 40 CHAB Cc1nn(C)c2nc(C3CC3)c(Cl)c(C(F)F)c12 16992006 XQIYDTJIGWKHOH-UHFFFAOYSA-N 271.698 3.745 0 40 CHAB O=Cc1ccc(-c2cc(C(F)(F)F)ccn2)cc1 12336309 YBLPNDGASPZCGN-UHFFFAOYSA-N 251.207 3.580 0 40 CHAB COc1ccc(C2=CCN(Cc3c(C)noc3C)CC2)cc1 47798302 LVHDDNRFVZWTDL-UHFFFAOYSA-N 298.386 3.589 0 40 CHAB CCN(CC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 12614695 DRWCADWKSOSFEE-UHFFFAOYSA-N 292.379 3.516 0 40 CHAB COc1cccc(CC(=O)N[C@@H](c2ccccc2)C2CC2)c1 11206445 VUWVQUFUBGPHOD-IBGZPJMESA-N 295.382 3.505 0 40 CHAB O=C(NC1CCCCCC1)c1ccc2ccccc2n1 3359068 WGYACMVPZLUZJK-UHFFFAOYSA-N 268.360 3.687 0 40 CHAB Cc1cccc(C(=O)Nc2ccc3oc(C)nc3c2)c1 12935950 IKYSQHCUNFDEFK-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB Cc1ccc(SCCC(=O)NCc2ccco2)cc1C 12973477 JDVAVHCTWFYJHT-UHFFFAOYSA-N 289.400 3.695 0 40 CHAB N#Cc1ccc(-c2nc3ccccn3c2Br)cc1 82183066 SXEYMXXDOUNBSC-UHFFFAOYSA-N 298.143 3.635 0 40 CHAB COc1ccccc1NC(=O)N[C@H](C)c1ccc(F)cc1 18173478 ONQGKVFHTFWXFB-LLVKDONJSA-N 288.322 3.717 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 5893735 VWPJXAIQMNQTRN-ZZXKWVIFSA-N 299.389 3.924 0 40 CHAB CC[C@@H](NCc1cccnc1)c1ccc(OC(F)F)cc1 89947821 LEKLIHAZYSBIDE-OAHLLOKOSA-N 292.329 3.924 0 40 CHAB O=C(Cc1ccsc1)Nc1ccccc1Br 9113171 QTCNIMDTHUKSRW-UHFFFAOYSA-N 296.189 3.692 0 40 CHAB CN(Cc1ccccc1F)C(=O)c1cc2ccccc2[nH]1 8026519 BNYQRMFWCBNPPE-UHFFFAOYSA-N 282.318 3.579 0 40 CHAB CC(C)Oc1ccc(NCc2ccccn2)c(F)c1 95978145 VRBGELFARNTRRH-UHFFFAOYSA-N 260.312 3.620 0 40 CHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2oc(C)nc2C)c1 89616450 OMWZZWKRQHGGAF-MRXNPFEDSA-N 298.386 3.886 0 40 CHAB Fc1ccccc1[C@H]1NN=C(c2ccccc2)S1 409082337 SBLXUUPIGBKMEW-AWEZNQCLSA-N 258.321 3.523 0 40 CHAB Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12 35959198 DJPWYKDDZMPEJF-UHFFFAOYSA-N 277.249 3.602 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)c1c(F)cccc1F 70210352 NXXWVECJCBGNHH-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(CSC)o1 32992743 AWNQXDXSGLSABP-UHFFFAOYSA-N 275.373 3.957 0 40 CHAB COc1ccccc1-c1cc(Cl)nc(SC)n1 78401149 SAAMHUJQRLYMHM-UHFFFAOYSA-N 266.753 3.528 0 40 CHAB O=CN1CCC[C@H]1c1cccnc1SC1CCCCC1 72217288 DDBMZOGRWSKMDP-HNNXBMFYSA-N 290.432 3.800 0 40 CHAB C[C@@H]1CCCN(C(=O)CNc2cccc3ccccc23)C1 78566504 DTNDBZYVTGWEEI-CQSZACIVSA-N 282.387 3.510 0 40 CHAB Cc1nc(NC(=O)c2ccc3c(ccn3C)c2)sc1C 40267691 QUNVAHSMUQXYHA-UHFFFAOYSA-N 285.372 3.504 0 40 CHAB Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 227509856 NULHJLDBQDFZDV-RVKKMQEKSA-N 271.404 3.940 0 40 CHAB COc1ccc(C)cc1NC(=O)NCc1sccc1C 43279265 MLJNKXPZISFVAB-UHFFFAOYSA-N 290.388 3.695 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2C1 143190545 FUSWZQXPUSGYPO-OKILXGFUSA-N 289.762 3.576 0 40 CHAB CCOc1cc(Br)ccc1C(F)(F)F 95347994 AFZSOGLGDIPPHP-UHFFFAOYSA-N 269.060 3.867 0 40 CHAB Cc1c([C@H]2CCCN2Cc2cccc3[nH]ccc23)cnn1C 91967929 HXDOCYKZDUKNCF-GOSISDBHSA-N 294.402 3.547 0 40 CHAB O=c1[nH]c2c(s1)C1(CCCC1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 245228965 KHMQOKBUWRJFJO-UKKRHICBSA-N 293.457 3.769 0 40 CHAB CC[C@H](C)C(=O)c1cc(Br)ccc1F 86733138 MOIDHCXMPPAZST-ZETCQYMHSA-N 259.118 3.817 0 40 CHAB C[C@@H]1c2cccn2CCN1Cc1nc2ccccc2s1 14247569 HTZCYNABSBFKCN-GFCCVEGCSA-N 283.400 3.675 0 40 CHAB CCOc1cccc(Oc2ccc(C(=O)O)cc2)c1 51845849 IKYUBEOMRGCAGB-UHFFFAOYSA-N 258.273 3.576 0 40 CHAB C[C@H](N[C@H]1CCCCc2ccccc21)c1cnn(C)c1 95421533 JCRHAKYNJRCVAR-GUYCJALGSA-N 269.392 3.538 0 40 CHAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2)cc1 439335 YVVXAVCBCZBHFL-CYBMUJFWSA-N 269.344 3.576 0 40 CHAB COC(=O)CCCCCc1ccc(Br)cc1 1776011369 SEOCELCWFYFCIY-UHFFFAOYSA-N 285.181 3.725 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(C)cc2)cc1 14737993 WCSHWAXAZJHCPI-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1 15315713 SKKOQXKHXQTFFN-LBPRGKRZSA-N 287.384 3.815 0 40 CHAB Nc1ccc2oc(-c3c(F)cccc3Cl)nc2c1 19806480 BQTUJDKZGXLCJU-UHFFFAOYSA-N 262.671 3.870 0 40 CHAB C[n+]1c(/C=C/C=C/c2ccccc2)oc2ccccc21 1594988 DRZBHELREJXBBS-XMGZOKRTSA-N 262.332 3.984 0 40 CHAB Cc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(C)[nH]1 573637 ZYNUYKHEVQVMRH-AWNIVKPZSA-N 272.735 3.778 0 40 CHAB Cc1ccc(-c2ccc(C(=O)C(F)(F)F)[nH]2)cc1 2473604 YLTWRPVBIIUZKL-UHFFFAOYSA-N 253.223 3.735 0 40 CHAB CCSc1nnc(NC(=O)Nc2ccc(C)cc2)s1 4851203 PJDZCWICBGFKJE-UHFFFAOYSA-N 294.405 3.603 0 40 CHAB c1cc2c(s1)[C@H]1CCCC[C@@H]1O[C@@]21CN2CCC1CC2 6668059 YOTNJKHOKZAJDD-JLJPHGGASA-N 289.444 3.725 0 40 CHAB C[C@H](Sc1ccccn1)c1nc(C(C)(C)C)no1 40051173 KCYTXLVNAFMSLQ-VIFPVBQESA-N 263.366 3.615 0 40 CHAB CC(C)n1cnnc1S[C@@H](C)c1ccc(F)cc1 40456779 VREYAPJPVDIXOQ-JTQLQIEISA-N 265.357 3.851 0 40 CHAB Cc1ccnc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 265935 MVBSHMREVYXGRH-UHFFFAOYSA-N 268.360 3.940 0 40 CHAB CC(C)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 128463 ZSIAUFPBONJBEU-UHFFFAOYSA-N 287.334 3.967 0 40 CHAB CC(=O)Nc1nc(-c2ccccc2)c(Br)s1 343111 QAXICBRPVQNBSP-UHFFFAOYSA-N 297.177 3.531 0 40 CHAB CC1=CC[C@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3[C@@H]2C1 4026664 WWIMATJEWPNNPT-IIDMSEBBSA-N 292.382 3.580 0 40 CHAB NCCCCc1c(-c2ccncc2)[nH]c2ccccc12 6258086 OXSPAFHPBZTZKD-UHFFFAOYSA-N 265.360 3.511 0 40 CHAB CCOc1ccc(/C=N/c2ccccc2C)cc1C(=O)O 6963943 PETSSRPLBDNDOY-WOJGMQOQSA-N 283.327 3.843 0 40 CHAB Cc1ccc(NC(=S)NCc2ccco2)cc1Cl 7558698 OXVWGHYXMJCCSS-UHFFFAOYSA-N 280.780 3.728 0 40 CHAB COc1ccc(S[C@@H](C)C(=O)NC2CCCCC2)cc1 7790419 IDPHTYDOWXUESB-LBPRGKRZSA-N 293.432 3.625 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1)c1ccc(F)cc1 8285557 AQDOGSYRNLREEX-ZDUSSCGKSA-N 271.335 3.636 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(C)cc1 8497527 YTPYXQBJWBYTKN-SFHVURJKSA-N 297.398 3.777 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccccc1 32915356 HXRFGQFZACCUOW-BMFZPTHFSA-N 259.393 3.877 0 40 CHAB CCc1cnc(CN2CC=C(c3ccccc3)CC2)o1 75622312 QRRYESKJHXOOEN-UHFFFAOYSA-N 268.360 3.526 0 40 CHAB O=C(O)c1ncc(-c2cccc(F)c2)cc1C(F)(F)F 47205276 MCGPNSJXSQSVIK-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB CC(C)c1cc(Br)ccc1O[C@@H]1CCCNC1 42774620 VPJVHCDVELAAPN-GFCCVEGCSA-N 298.224 3.703 0 40 CHAB C[C@@H]1[C@@H](NC(=O)c2c(F)cccc2F)CCC[C@H]1C 103151053 BGNURWWVENGVGO-NRUUGDAUSA-N 267.319 3.519 0 40 CHAB O=c1[nH]c2c(s1)C1(CCCC1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 101262434 KHMQOKBUWRJFJO-CHWFTXMASA-N 293.457 3.769 0 40 CHAB Nc1nc2c([C@@H](O)c3ccccc3)cc(Cl)cc2s1 57327678 ABMQQFQWOWDKEJ-ZDUSSCGKSA-N 290.775 3.614 0 40 CHAB O=C1Nc2ccc(Cl)cc2/C1=C\c1cccs1 3239478 ZYHHCVFJHNWKDY-YRNVUSSQSA-N 261.733 3.894 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)Cc1ccccc1F 21286085 LETHHCQZXLQHIY-CYBMUJFWSA-N 271.335 3.554 0 40 CHAB Cc1ccccc1C(=O)NCc1cccc(COC(C)C)c1 49151180 MDRHQFLGUXLJCP-UHFFFAOYSA-N 297.398 3.850 0 40 CHAB Clc1ccc(OCCCSc2nncs2)cc1 39978575 FDCXYOJXYCXPIJ-UHFFFAOYSA-N 286.809 3.753 0 40 CHAB CC(C)Sc1nc(-c2ccccc2Br)n[nH]1 14141205 OUDOTAJGILAFFQ-UHFFFAOYSA-N 298.209 3.735 0 40 CHAB Cc1ccccc1/C=C/c1nc(SC(C)C)n[nH]1 14114475 AJNBRFMIZOYTPK-CMDGGOBGSA-N 259.378 3.784 0 40 CHAB CC(C)=CC(=O)Nc1ccc2nc(-c3cccnc3)[nH]c2c1 71283837 QPQDALCZIDRTNH-UHFFFAOYSA-N 292.342 3.530 0 40 CHAB CCCNC(=O)/C(=C/c1ccccc1)c1ccccc1 4702907 QZOGZNHYCSAATN-SAPNQHFASA-N 265.356 3.753 0 40 CHAB COc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 15934489 ZILFIDDOGLJYLE-QGZVFWFLSA-N 296.370 3.894 0 40 CHAB COc1ccc(C)cc1[C@@H](C)NC(=O)C1CCCCC1 8128158 PKKZENTWQUFARL-CYBMUJFWSA-N 275.392 3.761 0 40 CHAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1cccs1 79501169 DMJOJLRBUJWFCE-UHFFFAOYSA-N 283.356 3.754 0 40 CHAB Cc1csc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 84268429 ISUDVYVHNKJNGF-LBPRGKRZSA-N 299.399 3.977 0 40 CHAB Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1ccncc1 95430771 PEKCERRVRFIUMT-NSHDSACASA-N 290.363 3.648 0 40 CHAB C[C@H]1CS[C@H](C=Cc2ccccc2[N+](=O)[O-])S1 3845017 FSFJFWRVPPIIFR-CABZTGNLSA-N 267.375 3.803 0 40 CHAB biogenic C[C@H]1CCC[C@H](NC(=S)Nc2ccccc2)[C@@H]1C 4622234 POCWVXYCWXWCGM-SCRDCRAPSA-N 262.422 3.798 0 40 CHAB CSc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72216878 XREODCDWPOGYES-GFCCVEGCSA-N 294.420 3.876 0 40 CHAB CCC(=O)c1cnc(N(C)c2ccccc2)cc1C 72223339 JZULWQOZKGVFAZ-UHFFFAOYSA-N 254.333 3.751 0 40 CHAB Cc1cc([C@H]2CCCCN2C(C)C)cnc1Cl 72217801 WCVGWYCHPQAJLR-CYBMUJFWSA-N 252.789 3.979 0 40 CHAB Cc1cc(C)cc(NC(=S)NCc2cccc(F)c2)c1 46415880 XDABFDYRTPUSQY-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB CCCNC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 49266637 MWGBSHPSYAMXLR-GFCCVEGCSA-N 262.397 3.754 0 40 CHAB O=C(Cc1cccc(Cl)c1)N1CCCc2ccccc21 222570981 HFPZRYPGZOMFKP-UHFFFAOYSA-N 285.774 3.862 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(F)cc2)cc1 45174794 RZYHNRPLVPFJCK-CQSZACIVSA-N 285.362 3.944 0 40 CHAB Cc1ccc(NC2=CC(=O)N(c3ccccc3)C2)c(C)c1 75172745 NUNPTNFFGFRVRN-UHFFFAOYSA-N 278.355 3.646 0 40 CHAB CCCCOCc1cc(C(=O)N[C@H](C)CC)ccc1OC 224433442 WUWGHHZPYMAAIP-CYBMUJFWSA-N 293.407 3.540 0 40 CHAB COc1cc(CO)c(Cl)cc1OCc1cccc(C)c1 95095042 NQZPSDIJNIUOTA-UHFFFAOYSA-N 292.762 3.728 0 40 CHAB CO[C@@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1ccccc1 96061575 FJTLIFLOSNWIBO-RBUKOAKNSA-N 299.389 3.658 0 40 CHAB CCOC(=O)c1ccc(C(=O)C(C)(C)CC)s1 575361664 CXIJSIMNVKXEFT-UHFFFAOYSA-N 254.351 3.544 0 40 CHAB Oc1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1 77607710 ZQFUALXMHJNZEY-UHFFFAOYSA-N 254.207 3.784 0 40 CHAB FC(F)(F)COc1ccccc1OC1CCCC1 95460330 OOXWQRPPTKROAN-UHFFFAOYSA-N 260.255 3.949 0 40 CHAB Cc1c(N)cccc1-c1nc(-c2ccc(Cl)cc2)no1 61857268 NWWRHSJMJHNXLR-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB CC(C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 362616 DHMMTGSEYAATET-UHFFFAOYSA-N 251.329 3.852 0 40 CHAB COC(=O)c1cc(Br)c2ccn(C3CC3)c2c1 328578259 FRZITHSVIJWJMF-UHFFFAOYSA-N 294.148 3.525 0 40 CHAB Cc1ccc(NC(=O)COc2ccccc2F)c(Cl)c1 5637363 DTAYJMQWCPHMSY-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccco2)cc1 14268916 BNXVJTJIKYQWBV-ZDUSSCGKSA-N 284.359 3.911 0 40 CHAB COc1ccc(CSc2ccccc2C(=O)O)cc1 16216830 XNWQNANDQXNBIQ-UHFFFAOYSA-N 274.341 3.686 0 40 CHAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccccc2C)c1 18013890 HBTVLJFFEJORSP-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB CO[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1Cl 121847423 MHPXTXOHBIUXLM-WFASDCNBSA-N 293.794 3.500 0 40 CHAB C/C=C/C=C/C(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 5703081 GXHUAFLVQOJCKR-HILSGWSQSA-N 297.354 3.723 0 40 CHAB Nc1ccnc2cc(C(F)(F)F)cc(C(F)(F)F)c12 36533606 HYBGMYPZHMAZOG-UHFFFAOYSA-N 280.171 3.855 0 40 CHAB O=C(c1cc2ccccc2s1)N1[C@H]2C=CC[C@H]1CC2 206917290 RIIKDEGYBBWEMK-STQMWFEESA-N 269.369 3.834 0 40 CHAB Cc1cc(F)ccc1NC(=O)N(C)C1CCCCC1 40103566 IRVGZIIXLHAYCS-UHFFFAOYSA-N 264.344 3.931 0 40 CHAB CCc1nc2sc(C)c(-c3cccs3)c2c(=O)[nH]1 20346188 ZAIRULTUGSQXBN-UHFFFAOYSA-N 276.386 3.584 0 40 CHAB Cc1nc(-c2nc3ccccc3[nH]2)[nH]c1-c1ccccc1 35329 YSIJGSPVNPGPTG-UHFFFAOYSA-N 274.327 3.928 0 40 CHAB COc1cccc(-c2cc3c(-n4cccc4)ncnc3o2)c1 144040 SVAYTUAYBODSFR-UHFFFAOYSA-N 291.310 3.689 0 40 CHAB Oc1ccccc1-c1nnc(SCc2ccccc2)o1 411886 JPNCMTJIRHKDSV-UHFFFAOYSA-N 284.340 3.735 0 40 CHAB CC[C@H](C)c1ccccc1OC[C@@H](C)OC(C)=O 1583908 SVUKCOVWKNYCEL-NWDGAFQWSA-N 250.338 3.531 0 40 CHAB CCc1ccc(-c2nc3c(cnn3[C@@H](C)C(C)C)[nH]2)nc1 20866735 HGDMGXUNOHUYON-NSHDSACASA-N 283.379 3.601 0 40 CHAB CCCC[C@@H](CC)C(=O)O[C@@H](C)C(=O)Nc1ccccc1 1641155 OWGNFZPHTFMKSU-UONOGXRCSA-N 291.391 3.773 0 40 CHAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CO1 4083620 DNQOQHDYFBYTLC-HMSXXHTOSA-N 286.415 3.897 0 40 CHAB biogenic C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 4343508 FMGSKLZLMKYGDP-HKQXQEGQSA-N 288.431 3.879 0 40 CHAB endogenous,in-man CCCc1cc(C(=O)Nc2cccc(C)n2)sc1C 32721923 DPGSOUXYPBEXTM-UHFFFAOYSA-N 274.389 3.965 0 40 CHAB CC[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(OC)c1 17022927 UQIZEQISYFSYAH-ZDUSSCGKSA-N 292.379 3.500 0 40 CHAB FC(F)(F)c1ccc(CNCc2ccco2)cc1 22143628 KHLYZRHZQLLCMK-UHFFFAOYSA-N 255.239 3.588 0 40 CHAB COc1ccc(Nc2ccc(Br)cn2)cc1 42249361 AHCLHCMULYNNTP-UHFFFAOYSA-N 279.137 3.596 0 40 CHAB CC[C@]1(C)Cc2c(sc3nc(S)[nH]c(=S)c23)CO1 1259283 HNPNHWDLKLBDBW-GFCCVEGCSA-N 298.458 3.884 0 40 CHAB O=C(NCc1ccc(F)cc1)C1(c2ccccc2)CCCC1 1361993 JRNQWNATHCZTMZ-UHFFFAOYSA-N 297.373 3.954 0 40 CHAB CCOc1ccccc1C(=O)Nc1cnc2ccccc2c1 24924757 YDSMUGZUOXBWSX-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB C[C@@]12CC3CC(C(=O)NCc4ccncc4)(C1)C[C@@](C)(C3)C2 100796401 PJNZVEVZNJXUJB-FTJRRQOFSA-N 298.430 3.694 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)Nc2ccccc2C)cc1 3292486 ZGCMTPCPBBPSHJ-AWEZNQCLSA-N 268.360 3.743 0 40 CHAB CCCn1c(NCc2ccc(C)o2)nc2ccccc21 6173068 TUTGPBVYPHTTIX-UHFFFAOYSA-N 269.348 3.960 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C2CC2)cc1 4594737 OWIXXUIBZRHGLI-UHFFFAOYSA-N 287.384 3.673 0 40 CHAB NC(=O)c1ccc(COc2ccc(Cl)c(Cl)c2)cc1 14222600 RCQHAWSHGGJBFY-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB C[C@H]1C[C@@H](NC(=O)[C@]2(C)CC2(Cl)Cl)CC(C)(C)C1 4652635 RJOWTKXJOABMPB-CWSCBRNRSA-N 292.250 3.901 0 40 CHAB c1ccc2cc(OCC[C@H]3CCCCN3)ccc2c1 14632344 SQKQNHUVSJLWMO-MRXNPFEDSA-N 255.361 3.751 0 40 CHAB CCCCC[C@@H](C)NC(=O)NCCCc1ccccc1 71793380 GSXUBFLYVGYFRS-OAHLLOKOSA-N 276.424 3.887 0 40 CHAB C[C@@H](NC(=O)c1ccccc1OC1CCC1)c1cccnc1 96411180 YQXNOFXXWXSZFC-CYBMUJFWSA-N 296.370 3.504 0 40 CHAB CC[C@H](C)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890725 ZCPHDPNCSHHFLX-QMMMGPOBSA-N 284.319 3.664 0 40 CHAB COc1ccccc1C1(CNCc2ccco2)CCCC1 83976262 VROGRPIXVGYCFB-UHFFFAOYSA-N 285.387 3.890 0 40 CHAB CC(C)(C)c1cn2c(n1)[C@H](CNC1CCCC1)CCC2 84284619 OBDVTDDOBQLJTF-ZDUSSCGKSA-N 275.440 3.590 0 40 CHAB Cc1nc(CN[C@H](c2cc(F)ccc2F)C2CC2)oc1C 95987511 WKHBAOTUWOHILU-INIZCTEOSA-N 292.329 3.811 0 40 CHAB Cc1cccc(-c2nc3ccccc3n3c(C)nnc23)c1 75110299 SNFCECBJKPLGOO-UHFFFAOYSA-N 274.327 3.561 0 40 CHAB COc1ccc(OCc2ccccc2Cl)c(C=O)c1 37021999 BZKHOHVZBONZEC-UHFFFAOYSA-N 276.719 3.740 0 40 CHAB COc1ccc(CC(=O)c2ccc(C)c(F)c2)cc1 38126127 XBZIMGRYSPSMCQ-UHFFFAOYSA-N 258.292 3.568 0 40 CHAB COc1cc(C)c([C@@H]2CCCCN2CC(C)C)cn1 72218038 RQRUZLNFZAGSEI-HNNXBMFYSA-N 262.397 3.582 0 40 CHAB Nc1ccccc1-c1nc(-c2cccc(Cl)c2)no1 37330648 URROGKCRUZAESA-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB Cc1ncc(NC(=O)c2ccccc2F)c(C)c1Cl 72264664 VMSTZAZEHYQGSP-UHFFFAOYSA-N 278.714 3.743 0 40 CHAB COc1ccc(OC)c([C@H]2CCCCN2C(C)C)c1 72221885 VNCWQGHNWUQNJB-OAHLLOKOSA-N 263.381 3.639 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(NC2CCC2)nc1 72213843 DVKVXMFBYQGCNK-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB CC(C)c1nccn1Cc1ncc(-c2ccccc2F)o1 182796124 AAKPRXZLOVBDMF-UHFFFAOYSA-N 285.322 3.849 0 40 CHAB Cc1ccccc1NC(=O)COc1cccc2c1CCCC2 225137856 UDKSXKNMHDVKTD-UHFFFAOYSA-N 295.382 3.891 0 40 CHAB CCNc1nc(Nc2ccccc2)nc2ccccc12 41147301 GCGZNNCGFNAHCN-UHFFFAOYSA-N 264.332 3.805 0 40 CHAB CCOc1ccc([C@H](C)NC(=O)C(C)(C)C)cc1OCC 49940256 BHEDKCGZHFDFAG-LBPRGKRZSA-N 293.407 3.707 0 40 CHAB O=C(CCSc1ccccc1)NCC1CCCCC1 223417562 LRJYNMROSATDMA-UHFFFAOYSA-N 277.433 3.865 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)NCC1CCCCC1 223411127 XQBSDDGOXJWEEV-CYBMUJFWSA-N 277.433 3.864 0 40 CHAB CCC(NC(=O)c1ccoc1C1CC1)(C1CC1)C1CC1 529800366 OUTPOBFABROODM-UHFFFAOYSA-N 273.376 3.856 0 40 CHAB Cc1cccc(C(=O)c2ccc(C3OCCO3)s2)c1C 43210450 PQBJGGGESYJIFX-UHFFFAOYSA-N 288.368 3.641 0 40 CHAB COc1cc(OC)cc(C(=O)c2cccc(Cl)c2)c1 43210126 OZUPNXWDIDACIO-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB Fc1cc(Cl)c(OC(F)F)cc1Br 95215562 KMNGIVBODSVBJW-UHFFFAOYSA-N 275.451 3.843 0 40 CHAB CCOC(=O)CCCOc1cc(Cl)cc(Cl)c1 95734162 OSIVZEGTRJDWEZ-UHFFFAOYSA-N 277.147 3.716 0 40 CHAB Fc1ccc([C@H](CC(F)(F)F)NC2CCOCC2)cc1 90969054 VWFBAXGCNDTYQN-ZDUSSCGKSA-N 291.288 3.588 0 40 CHAB Cc1cn(C(C)C)nc1NCc1cc(F)ccc1F 256050654 FZWJLWQBVPJGGC-UHFFFAOYSA-N 265.307 3.663 0 40 CHAB O=C(c1ccc2c(c1)OCO2)c1cccc2ccccc12 95917281 QNRPHXLCEKASTM-UHFFFAOYSA-N 276.291 3.800 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1 5263143 PISVZWWTHRRWFV-NSHDSACASA-N 297.383 3.682 0 40 CHAB Nc1cc(C(F)(F)F)ccc1OCC1CCCC1 14629435 FGDCKQJXUNXUFQ-UHFFFAOYSA-N 259.271 3.857 0 40 CHAB COc1ccc([C@H]2CCCCN(C(=O)CC3CC3)C2)cc1 208004351 CHBQZVVJNBNTHI-INIZCTEOSA-N 287.403 3.591 0 40 CHAB CCOC(=O)c1cc(Cl)ccc1C(F)(F)F 44200484 LNEBLTIEGPLXSB-UHFFFAOYSA-N 252.619 3.536 0 40 CHAB CC[C@@H](C(=O)NCc1ccsc1)c1ccccc1 38586203 LGCWQWKYMUVRNL-CQSZACIVSA-N 259.374 3.558 0 40 CHAB O=C1O[C@@H](Nc2ccc(Cl)cc2)c2ccccc21 91679 CAGRFJFQLHWMKL-CYBMUJFWSA-N 259.692 3.621 0 40 CHAB O=C1CCCC[C@H]1Sc1nc(CCC2CCCC2)n[nH]1 31796961 ORIDALJWWPQSOO-CYBMUJFWSA-N 293.436 3.531 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC2 20569899 HGVJDMPQHDEPHE-MLGOLLRUSA-N 272.392 3.876 0 40 CHAB Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 92278 CZNYJWQJSGRKRA-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CC(=O)Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 133999 IYEXWQZUOIBVKD-UHFFFAOYSA-N 294.306 3.694 0 40 CHAB CC(=O)Nc1nc(CSc2ccc(F)cc2)cs1 36852717 ZJRAIDUBQAOOMU-UHFFFAOYSA-N 282.365 3.533 0 40 CHAB CCN(CC)CCCNc1cccc2ccc(C)nc12 1684904 AXFKTWDGWKIQFA-UHFFFAOYSA-N 271.408 3.687 0 40 CHAB CC(C)c1noc([C@H](C)N(C)CC2CCCCC2)n1 32769961 BETGPFDSCPKITB-LBPRGKRZSA-N 265.401 3.766 0 40 CHAB CCC(CC)NC(=O)c1nc(-c2ccco2)sc1C 32772263 KGGSIAKSTRXDSM-UHFFFAOYSA-N 278.377 3.630 0 40 CHAB CCCCOc1ccc(C(=O)Nc2nc(C)cs2)cc1 2623802 NSHOUNYXQHLKQS-UHFFFAOYSA-N 290.388 3.883 0 40 CHAB Cc1cccc(NC(=O)Nc2ccc3c(c2)OCO3)c1C 32869815 GUZJAQLRNUQUON-UHFFFAOYSA-N 284.315 3.676 0 40 CHAB C[C@H](NC(=O)Cc1cccc2cccnc12)c1ccccc1 32874032 SXTRNNCLCKHUSC-AWEZNQCLSA-N 290.366 3.655 0 40 CHAB CCC[C@H](C)NC(=O)CSCc1ccccc1Cl 6946838 CHTCGXGNJFVRAP-NSHDSACASA-N 285.840 3.878 0 40 CHAB COCc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 7400410 BYKPOJIQMJMJQJ-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB CC(C)c1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1 430256 WSQPSNOZDUCRBG-UVTDQMKNSA-N 281.311 3.748 0 40 CHAB Cc1nc(NC(=O)c2ccc3ncsc3c2)sc1C 8737668 ZCJBIORFZUUZGF-UHFFFAOYSA-N 289.385 3.622 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)cn1 22409885 QEHBIZRSBRQEAW-NSHDSACASA-N 274.751 3.534 0 40 CHAB CCc1ccc(N[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 57570571 HHSLEIRRODAMKA-OAHLLOKOSA-N 296.414 3.708 0 40 CHAB Cc1cs/c(=N/c2ccccc2F)n1Cc1ccccn1 104859167 PPCCFRLMRWCGNS-KNTRCKAVSA-N 299.374 3.673 0 40 CHAB COc1ccc(C(=O)c2ccccc2Cl)c(OC)c1 55232718 GQKWTEFZEUUWCD-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB Cc1cc(-c2noc(-c3ccco3)n2)c2ccccc2n1 1423714 USLRYKGQGFKLQL-UHFFFAOYSA-N 277.283 3.853 0 40 CHAB COc1ccc(-c2nc(N)oc2-c2ccc(OC)cc2)cc1 3280829 UYQBTVPFWBONES-UHFFFAOYSA-N 296.326 3.608 0 40 CHAB COc1ccc([C@@H](CC(=O)O)c2ccccc2)cc1Cl 36177797 ZTHNROQWCPZUIT-ZDUSSCGKSA-N 290.746 3.955 0 40 CHAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)CCC2 12643601 PLKPYICPOFMPES-LBPRGKRZSA-N 298.411 3.690 0 40 CHAB Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)o1 12784802 MHSSRHNKVVIFAL-MNOVXSKESA-N 289.297 3.747 0 40 CHAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)cs1 3533485 GIXBARYHHBHOGU-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB c1ccc(OCCN2CCCC[C@H]2c2cccnc2)cc1 8741158 JZGHBBVINUYCBY-SFHVURJKSA-N 282.387 3.688 0 40 CHAB biogenic O=C(N[C@H]1CCc2ccccc21)c1ccccc1Cl 14903650 MBTSGRRVOPIJLL-HNNXBMFYSA-N 271.747 3.757 0 40 CHAB CCn1c(Nc2cccc(OC)c2)nc2ccccc21 6871257 JRVYCCFHZWEPTD-UHFFFAOYSA-N 267.332 3.808 0 40 CHAB Cc1ccc(NC(=O)N2CCc3ccccc3C2)c(C)c1 15941080 OENUUNDXJJROEF-UHFFFAOYSA-N 280.371 3.894 0 40 CHAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCCCC1 7753527 AWCHDRULMALTFC-UHFFFAOYSA-N 292.429 3.806 0 40 CHAB CCc1ccc(NC(=O)c2oc3ccccc3c2N)cc1 19724403 POIRQSAPWBLDJQ-UHFFFAOYSA-N 280.327 3.830 0 40 CHAB CCn1nc(NC(=O)C(C)C)c2cc3cc(C)ccc3nc21 9318728 HRTZUOUDTHVIDM-UHFFFAOYSA-N 296.374 3.507 0 40 CHAB Cc1noc(C)c1CCN[C@H](CC(C)C)c1ccccn1 95422127 YSEASXYLTLHARB-QGZVFWFLSA-N 287.407 3.606 0 40 CHAB C[C@H](O)C[C@H](CN[C@@H](C)C(C)(C)C)c1ccccc1 95969334 AHRAFDULWVDUBJ-OFQRWUPVSA-N 263.425 3.565 0 40 CHAB O=C([C@H]1C[C@H]1c1ccco1)N1CCC(c2ccccc2)CC1 71835059 WTKJTMTWCBYQCL-SJORKVTESA-N 295.382 3.789 0 40 CHAB C[C@H]1CCC[C@@H](C)N1CCCCOc1ccccc1C=O 217796195 YUHRPNBHESYHBU-IYBDPMFKSA-N 289.419 3.921 0 40 CHAB Cc1nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2n1C 74957464 ONCBGOKTMCESOQ-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB Cc1cc(SCc2ccccc2)ncc1[C@@H](C)N 72223454 OBCKLXYFAORBQI-GFCCVEGCSA-N 258.390 3.702 0 40 CHAB C[C@H](NCc1cc[nH]c1)c1nc(C(C)(C)C)cs1 86253221 MJTDRJXBBJMQJB-JTQLQIEISA-N 263.410 3.620 0 40 CHAB Nc1ccc2c3c(cccc13)C(=O)N2Cc1ccccc1 41124569 WGWXVNOLQATVBO-UHFFFAOYSA-N 274.323 3.582 0 40 CHAB CCCNC(=O)c1ccc(Nc2ccc(C)c(C)c2)c(N)c1 225419200 GMVRHQLURHBAHQ-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB CCOc1ccc(NC(=O)C(F)(F)F)c2ccccc12 225782963 SPVAEHOYZFLFMU-UHFFFAOYSA-N 283.249 3.739 0 40 CHAB Cc1cccnc1NC(=S)N[C@H](C)c1ccc(F)cc1 225474885 CPPBZAJWQRSEKK-LLVKDONJSA-N 289.379 3.577 0 40 CHAB O=C(NCc1csc(C2CCC2)n1)Nc1ccccc1 227154222 DMISDZDDIQCIDA-UHFFFAOYSA-N 287.388 3.732 0 40 CHAB CCCCO[C@@H](C)OCC(F)(F)[C@@H](F)C(F)(F)F 98210584 MHWJJEAAUALWDP-HTQZYQBOSA-N 282.224 3.701 0 40 CHAB COC(=O)/C=C/c1ccc(F)c(Oc2ccccc2)c1 148724725 YMQSVDBVFMGUKF-CSKARUKUSA-N 272.275 3.804 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)s1 390831601 STYLZXKIAWDWME-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB CC[C@@](CNC(=O)c1ccccc1C)(OC)c1ccccc1 96123686 ULNQCFQRLXDWJD-IBGZPJMESA-N 297.398 3.677 0 40 CHAB CC(C)n1ccc(=O)nc1SCc1ccccc1Cl 78528345 FPYJUXSCXSZVRL-UHFFFAOYSA-N 294.807 3.770 0 40 CHAB CCOCCOc1ccc(Cl)cc1Br 194170993 SNMBODMWIOJSTM-UHFFFAOYSA-N 279.561 3.518 0 40 CHAB Clc1ccc2ncnc(NCCc3ccoc3)c2c1 1775972114 BETOQDJAGNJFKF-UHFFFAOYSA-N 273.723 3.531 0 40 CHAB CC(=O)Nc1ccc(C(=O)CSc2ccccc2)cc1 5873108 VKELAZACUBZCQM-UHFFFAOYSA-N 285.368 3.620 0 40 CHAB CCC(CC)NC(=S)Nc1cccc(Cl)c1 13823677 ILFPDEPJZKAWCZ-UHFFFAOYSA-N 256.802 3.815 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)c1cccc(N(C)C)c1 14423396 IBXGQIMMQSYFMC-UHFFFAOYSA-N 294.398 3.654 0 40 CHAB COC(=O)c1cc(N)ccc1NC1CCCCCCC1 41080819 OPVFXVQSEQJSIZ-UHFFFAOYSA-N 276.380 3.580 0 40 CHAB Cc1c(Cl)ccc2sc(NC(=O)C(C)C)nc12 4331252 AWANEHMWZAWLHD-UHFFFAOYSA-N 268.769 3.853 0 40 CHAB Brc1ccc(-c2cc3ccncc3[nH]2)cc1 22004838 FRMPLYCBBPBNNU-UHFFFAOYSA-N 273.133 3.992 0 40 CHAB Cc1ccc(OCCC(=O)NC[C@H](C)c2ccccc2)cc1 40160132 QUJCNLHHNXQZHP-INIZCTEOSA-N 297.398 3.684 0 40 CHAB CSc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 40526836 ADGJOADBBBKDKH-LLVKDONJSA-N 264.394 3.672 0 40 CHAB CCc1ccc(NC(=O)c2cccc(OC)c2OC)cc1 496550 WOYMIPYACFCXKZ-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1ccco1 69374373 XVMFEXBNSVZPTB-UHFFFAOYSA-N 286.306 3.706 0 40 CHAB Clc1nc(Cl)c2ncn(C3CCCCC3)c2n1 60039898 OOFWIULGXNWDQR-UHFFFAOYSA-N 271.151 3.638 0 40 CHAB COc1ccc(-c2nc3ccccn3c2Cl)cc1 831000 HKIYOGUMCXKKRW-UHFFFAOYSA-N 258.708 3.663 0 40 CHAB CC[C@@H](C)OC(=O)C[C@@H](c1ccccc1)N1CCCCC1 1569409 CQLCJFCUAHKNIE-WBVHZDCISA-N 289.419 3.945 0 40 CHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccoc1 32342063 VSYDBBGNBWBFLJ-SNVBAGLBSA-N 286.356 3.723 0 40 CHAB O=C(Nc1cc(=O)c2ccccc2o1)c1ccc(Cl)cc1 2502475 WSHZCYYCCFWHEX-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB O=C1c2ccccc2CN1c1ccc(Br)cc1 364184 RYVFNBCWCZCHSC-UHFFFAOYSA-N 288.144 3.610 0 40 CHAB Cc1csc(NC(=O)c2csc3c2CCCC3)n1 6865296 RXTMQICKJRCWCX-UHFFFAOYSA-N 278.402 3.644 0 40 CHAB COc1ccc(C(=O)COc2cccc3cccnc23)cc1 7067378 UDSDVFQJTSCRNR-UHFFFAOYSA-N 293.322 3.505 0 40 CHAB CCc1cccc2c(C(=O)CN(C)Cc3ccco3)c[nH]c12 21671727 JLVXVRFIMWYNAA-UHFFFAOYSA-N 296.370 3.638 0 40 CHAB O=C(/C=C/c1ccccc1)NCC1(c2ccccc2)CCC1 10221297 NPHFTUVDBSBGGW-OUKQBFOZSA-N 291.394 3.938 0 40 CHAB C[C@@H](Sc1nc(C2CC2)n[nH]1)c1ccc(F)cc1 22613659 ZAIDUJGRYXQJBI-MRVPVSSYSA-N 263.341 3.675 0 40 CHAB CC(C)CNCc1cccn1-c1ccc(Cl)cc1 113704142 AIFAPSZODONQKQ-UHFFFAOYSA-N 262.784 3.876 0 40 CHAB COC(C)(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 170966048 YRELVYPAMUQTAU-UHFFFAOYSA-N 299.370 3.629 0 40 CHAB Cc1nc2ccccc2nc1S[C@H]1CCCCC1=O 28190892 MXWAMHZXKBIHKE-AWEZNQCLSA-N 272.373 3.542 0 40 CHAB CN(C(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 36392559 JGSDGHXRRODIST-UHFFFAOYSA-N 290.366 3.683 0 40 CHAB O=C(CCc1ccccc1)NCCSCc1ccccc1 60906515 YAGCDYMEFUOWEU-UHFFFAOYSA-N 299.439 3.669 0 40 CHAB Cc1cccc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 11205848 BPXRHGCFVFXQKH-KRWDZBQOSA-N 265.356 3.876 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(F)c1 18114340 AJUQXQBSPCARQR-UHFFFAOYSA-N 287.334 3.957 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccc(C2OCCO2)s1 15446241 IYIHKIZLLVKAFX-UHFFFAOYSA-N 294.759 3.678 0 40 CHAB Cc1cc(N)ccc1NC(=O)c1cccc(OC(C)C)c1 19736777 DMUBARUJIOYTQW-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB O=C(Nc1ccc(F)cc1)Nc1ccc(F)c(F)c1 16499948 NETSAMITAYPHJW-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280188 CTWZBYRMLLZJGQ-ZWNOBZJWSA-N 297.383 3.657 0 40 CHAB CC(C)c1ocnc1C(=O)N1c2ccccc2CC[C@@H]1C 71915220 RNXVKCSIJMPQJQ-LBPRGKRZSA-N 284.359 3.780 0 40 CHAB Cc1cc(C)nc(N2CCC[C@H]2/C=C/c2ccccc2)n1 95468385 GXWWWBGSBGPJDV-DVQDXYAYSA-N 279.387 3.776 0 40 CHAB CC(=O)c1c(F)cccc1N[C@H](C)C[C@H](O)c1ccco1 95449457 PRQOVFUTSLGLHB-YGRLFVJLSA-N 291.322 3.545 0 40 CHAB CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 75106600 XCCXKDRCIQRJCB-KGLIPLIRSA-N 299.418 3.794 0 40 CHAB O[C@H](c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 26462327 ZBHZMZKVUTXVCJ-CYBMUJFWSA-N 293.153 3.951 0 40 CHAB O[C@@H](CNCc1ccccc1)c1ccc2ccccc2c1 37873776 CTNYAHYHHWIJAG-IBGZPJMESA-N 277.367 3.663 0 40 CHAB Cc1cccc2c1cc(C(=O)O)n2Cc1ccccc1 71976856 MVOHAAZUUYHLJL-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB CCOc1ncccc1-c1nnc(-c2ccc(C)cc2)o1 216604008 UPHDWVLZXFCJFM-UHFFFAOYSA-N 281.315 3.506 0 40 CHAB CCOc1cc(Cl)c(CNC(C)(C)C)cc1OC 36612613 NGWFSQHOIIZYDB-UHFFFAOYSA-N 271.788 3.635 0 40 CHAB Cc1ccc2nccc(Nc3ccc(C(=O)O)cc3)c2c1 73738626 QKPUILHSYJBBOC-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB Cc1ccnc([C@H]2CCCCN2C(=O)OC(C)(C)C)c1 72211214 CVWXLPAUAYWWOM-CQSZACIVSA-N 276.380 3.852 0 40 CHAB C[C@H](Nc1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C 72207646 HWBKXUHOEGJMFF-DZGCQCFKSA-N 290.407 3.887 0 40 CHAB COc1ccc(C2=CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 40539877 LWVWBJRTUUPYDC-KRWDZBQOSA-N 297.398 3.667 0 40 CHAB CC[C@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1 225761612 TUIZFETXUPTMJH-INIZCTEOSA-N 284.359 3.968 0 40 CHAB Cc1cc(NCc2ccccc2)nc(-c2cccc(N)c2)n1 226103240 BGQMCESMUWPCGZ-UHFFFAOYSA-N 290.370 3.646 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCC1CCCCC1 224450199 ALBKLRSCCLISMJ-MRXNPFEDSA-N 293.382 3.680 0 40 CHAB CC(C)N1c2ccc(C(=O)O)cc2[C@@H](C)CC1(C)C 223777202 XSSYOTDKZLYURG-NSHDSACASA-N 261.365 3.885 0 40 CHAB CC[C@H](COc1ccccn1)NCc1ccc(Cl)cc1 41154162 YVMBBVFQOIUZLI-OAHLLOKOSA-N 290.794 3.682 0 40 CHAB CCOC(=O)c1ccc(-c2cnc3ccccc3c2)o1 45028410 GIEODRCHDMWSBP-UHFFFAOYSA-N 267.284 3.672 0 40 CHAB Cc1ccc(CCCNC(=O)Cc2ccc(C)cc2C)cc1 224437715 CRGALTOAHNVHQI-UHFFFAOYSA-N 295.426 3.903 0 40 CHAB O=C(NCc1ccon1)N(c1ccccc1)c1ccccc1 96501197 VMIGAMARTIRGBK-UHFFFAOYSA-N 293.326 3.723 0 40 CHAB COCCCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 96431619 LRKJCCNAJJTJMA-XJKSGUPXSA-N 293.382 3.552 0 40 CHAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCC(C)C 257173630 SVEOHNYFEAQZEQ-UHFFFAOYSA-N 286.350 3.582 0 40 CHAB Cc1[nH]c2ccc(OCc3ncnn3C(C)(C)C)cc2c1C 282329898 UXTKRXZHGCXMPU-UHFFFAOYSA-N 298.390 3.710 0 40 CHAB COc1cc(C(=O)C2CCC2)c(Cl)cc1Cl 380983465 CUSDDILLMRXBCI-UHFFFAOYSA-N 259.132 3.985 0 40 CHAB Cc1ccc(C(=O)COCc2ccccc2)cc1F 382704182 QYUWFZZXTFSILI-UHFFFAOYSA-N 258.292 3.534 0 40 CHAB CC[C@@H](CSC(F)(F)F)NCc1ccc(F)cc1 95918325 UGFTWDPYVWVCAJ-NSHDSACASA-N 281.318 3.947 0 40 CHAB CC(C)(C)CC(=O)Nc1c(F)cccc1Br 84169610 JFIHXWOLFYMXTA-UHFFFAOYSA-N 288.160 3.963 0 40 CHAB Cc1cc(O[C@H](Cc2ccccc2)C(=O)O)ccc1Cl 225013828 YEGASYAJEIYGHT-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB Fc1ccc(SC(F)F)c(Br)c1 604221839 DARUXOHGUAHVGM-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB CCCCCCNC(=O)CCc1ccc(Cl)cc1 19793959 WQWLAZPAASXNPY-UHFFFAOYSA-N 267.800 3.969 0 40 CHAB Cc1ccc(NC(=O)c2cc(C3CC3)ncn2)c(Cl)c1 1888856868 PPXWQUHUWNYLJZ-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB O=C(Nc1ccc(O)cc1)Nc1cccc(Cl)c1 19015517 QNGKRQCVADETLK-UHFFFAOYSA-N 262.696 3.690 0 40 CHAB Fc1cc(Br)cc(C(F)(F)F)c1F 2560161 YPARTGIVEPLLGK-UHFFFAOYSA-N 260.987 3.746 0 40 CHAB Cc1ccc(C)n1NC(=O)c1ccc2ccccc2c1 59549616 JYTCVFRUSZYFIB-UHFFFAOYSA-N 264.328 3.642 0 40 CHAB CC(C)[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 40097894 UQBFNNBLWDKLHX-VIFPVBQESA-N 274.286 3.871 0 40 CHAB CC1(C)COC(CCCC(=O)c2ccc(F)cc2)OC1 2518055 PGRNPVZWWUSQLA-UHFFFAOYSA-N 280.339 3.578 0 40 CHAB Cc1ccc(NC(=S)N2CCc3ccccc32)cc1 2532766 MLDYMFKZJUAVPK-UHFFFAOYSA-N 268.385 3.755 0 40 CHAB Cc1ccc(-c2nnc(-c3cccc(Cl)c3)o2)o1 412034 BSIHRCCISCKADD-UHFFFAOYSA-N 260.680 3.958 0 40 CHAB FC(F)(F)c1cccc(-c2c[nH]c([C@H]3CCCN3)n2)c1 36874155 CYKVXZCFCZOGTJ-LLVKDONJSA-N 281.281 3.520 0 40 CHAB in-vitro CCCc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1 11869994 OYQMAGPMIUSEBX-UHFFFAOYSA-N 279.343 3.768 0 40 CHAB C[C@H](NC(=O)NC1CCCCCCC1)c1ccccn1 29722796 GQDUTYJGOCLTJJ-ZDUSSCGKSA-N 275.396 3.555 0 40 CHAB CC(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 360373 UZJFWLHQJPHKIO-UHFFFAOYSA-N 261.133 3.562 0 40 CHAB C[C@@H](C1CC1)N(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 32786927 OASIGLGLEJTMPH-VIFPVBQESA-N 276.767 3.692 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8040973 FYAUAHPOFXJZSQ-FZMZJTMJSA-N 283.799 3.802 0 40 CHAB Cc1nc(NC(=O)c2cc(-c3ccccc3)no2)sc1C 32913646 UGCVCABUSXTZPN-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C1 101261772 GIXJWQWFZRJSRT-GOTIFHFNSA-N 281.446 3.625 0 40 CHAB O=C(Nc1ccccn1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100922948 RQAMBFSAWBKMLZ-RBAVJSINSA-N 290.794 3.598 0 40 CHAB CN(Cc1nnc(-c2ccccc2)o1)C1CCCCCC1 53847202 FIKPKVBRKCKWMT-UHFFFAOYSA-N 285.391 3.891 0 40 CHAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 27380895 ILDAVUWUGCDCGW-GFCCVEGCSA-N 286.375 3.580 0 40 CHAB Oc1ccc(-c2nc(-c3ccncc3)cs2)cc1 34956336 LQBRVNWYMHKFCU-UHFFFAOYSA-N 254.314 3.578 0 40 CHAB Cc1nc(C(C)(C)NCc2ncc(C(C)C)o2)sc1C 76091438 QATGNUWKCAAWIV-UHFFFAOYSA-N 293.436 3.896 0 40 CHAB Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 23954676 QYUNENLDVCCVON-NSHDSACASA-N 298.386 3.661 0 40 CHAB COc1cc(C(=O)N2CCSc3ccccc32)ccc1C 58160893 UYIPKPFBJWMTFC-UHFFFAOYSA-N 299.395 3.756 0 40 CHAB CCC[C@H](C)C(=O)Nc1cc(Cl)ccc1OC 2168745 YFWAXWYCHZLBET-VIFPVBQESA-N 255.745 3.723 0 40 CHAB Cc1cc2oc(=O)cc(CN3CCCC[C@H]3C)c2cc1C 2328720 RYRCCGJUKBRKPO-CQSZACIVSA-N 285.387 3.784 0 40 CHAB CC[C@H](C)NC(=O)CSc1ccc2ccccc2c1 3382412 YOPKTMDVAJWFHO-LBPRGKRZSA-N 273.401 3.847 0 40 CHAB Cc1noc(C(C)C)c1C(=O)NCc1ccccc1Cl 12752925 GQTFZWOWCCYJPR-UHFFFAOYSA-N 292.766 3.690 0 40 CHAB Cc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2o1 12983706 GZUXNSQFXXQDLO-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CC1 13320407 LPCFIHMHILBSRX-UHFFFAOYSA-N 278.661 3.643 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCC(C)C 6000747 QVXDXYGZIQEPAO-UHFFFAOYSA-N 287.359 3.638 0 40 CHAB CCCc1noc(CN[C@H](C)c2ccccc2Cl)n1 65575469 ZUVXGAOHGJJZJN-SNVBAGLBSA-N 279.771 3.526 0 40 CHAB Cc1cc(NC(=O)CC(F)(F)F)ccc1Br 19505359 IBKMOUJJKLNGHC-UHFFFAOYSA-N 296.086 3.648 0 40 CHAB C[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 8303891 BVPSHOQAAUTULM-ZDUSSCGKSA-N 278.355 3.701 0 40 CHAB CCC(CC)NCc1ccc(Br)cc1 19883716 GMROMHXDXGBXQR-UHFFFAOYSA-N 256.187 3.727 0 40 CHAB Cc1ccc([C@@H]2CCCN2Cc2nnc(C3CC3)o2)cc1C 71830717 DOEZAUHREBSUDO-INIZCTEOSA-N 297.402 3.901 0 40 CHAB CC[C@H](NC(=O)Cc1ccccc1)c1ccc(C)cc1 20491295 GMPCPBSKRFDHAN-KRWDZBQOSA-N 267.372 3.805 0 40 CHAB CCCOc1ccc2ccccc2c1/C=C\[N+](=O)[O-] 409007917 RTLMPKFOIYCUGG-KTKRTIGZSA-N 257.289 3.876 0 40 CHAB COC(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 20136189 YEXRIFIOQWWWPO-UHFFFAOYSA-N 287.702 3.935 0 40 CHAB O=C(O[C@@H](c1ccccc1)C(F)(F)F)C1CC(F)(F)C1 1525712577 OIKLVDNBMLCAOP-JTQLQIEISA-N 294.219 3.879 0 40 CHAB CN1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214393 GICYPCORBSSIND-CYBMUJFWSA-N 291.395 3.585 0 40 CHAB Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2occc21 36358388 OBIISMVXINILKY-UHFFFAOYSA-N 292.697 3.816 0 40 CHAB CC(C)c1ccc(COCC[C@H]2CCCCN2)cc1 48895429 UZMUTXYHCQXFJU-QGZVFWFLSA-N 261.409 3.859 0 40 CHAB O[C@@H](c1cccc(Br)c1)c1ccc(F)c(F)c1 40254588 VJMFHOOTFJJLIM-ZDUSSCGKSA-N 299.114 3.809 0 40 CHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)cc1 225733169 BOWBLPLOZGMGMR-KRWDZBQOSA-N 293.407 3.865 0 40 CHAB CCc1ccc(NC(=O)Cc2ccc(OC)c(C)c2)cc1 223563569 PXQAMMFUFGOYQM-UHFFFAOYSA-N 283.371 3.747 0 40 CHAB CCCCCN(C(=O)NCc1ccccc1OC)C(C)C 40150047 KKKNVZMRFHSZST-UHFFFAOYSA-N 292.423 3.805 0 40 CHAB CC[C@@H](NC(=O)C1CCCC1)c1ccc(OC)c(C)c1 225403129 YFBYUAMHZQYGNX-OAHLLOKOSA-N 275.392 3.761 0 40 CHAB O=C(Cc1ccc(F)cc1)NCc1ccc2ccccc2c1 45201251 WLAZHMMRNGADGQ-UHFFFAOYSA-N 293.341 3.838 0 40 CHAB CCCCn1c(C=O)ccc1CCc1ccccc1 226028568 YDBHEVIADJHOJI-UHFFFAOYSA-N 255.361 3.886 0 40 CHAB O=C(NC1CCCC1)c1ccc(Oc2nccs2)cc1 77890141 KRMLWIMVQGQEEF-UHFFFAOYSA-N 288.372 3.608 0 40 CHAB CC(C)n1ccc(CN2CCOc3c(Cl)cccc32)n1 531871538 YHRCMMHGSHJSDM-UHFFFAOYSA-N 291.782 3.516 0 40 CHAB Cc1cc(C)c(C(=O)C(F)(F)C(F)(F)F)c(C)c1 95730862 UBVXBJMEZVURAA-UHFFFAOYSA-N 266.209 3.992 0 40 CHAB CCCN1CCC(c2noc3cc(F)ccc23)CC1 95562278 RUIFDUVNEYPMGO-UHFFFAOYSA-N 262.328 3.556 0 40 CHAB CC/C=C(\C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 96406333 VNSKFHNBTNWUQS-CEQQRPIWSA-N 299.823 3.513 0 40 CHAB C1=C(c2nnc(-c3ccccc3)o2)COc2ccccc21 255190318 WKQDMFGIIUZLKW-UHFFFAOYSA-N 276.295 3.670 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3cn[nH]c3c2)cc1 6160871 JQRLAVNQCPXLPS-UHFFFAOYSA-N 266.304 3.515 0 40 CHAB CCc1nn2c(O)c(Cl)c(C)nc2c1-c1cccs1 12115666 YFIXHGSWQISAEJ-UHFFFAOYSA-N 293.779 3.688 0 40 CHAB CCC(CC)NC(=O)N[C@@H](C)c1ccccc1Cl 13010311 BCMPJFXSIQRLPK-JTQLQIEISA-N 268.788 3.889 0 40 CHAB O=C(NCc1ccc(OC(F)F)cc1)Nc1ccccc1 18181100 WHWDVTFYJFXZOB-UHFFFAOYSA-N 292.285 3.610 0 40 CHAB C(=C/c1ccncn1)\c1cccc(/C=C/c2ccncn2)c1 157357375 VNAGXVMFQKGNBN-YDFGWWAZSA-N 286.338 3.607 0 40 CHAB FC(F)(F)c1cccc(-c2cnc([C@H]3CCCN3)cn2)c1 616576705 XNSQWIKWRSQPSO-GFCCVEGCSA-N 293.292 3.587 0 40 CHAB CCc1cc(N)cc(Cl)c1N1CCCC[C@H]1C 226315235 LPVYTPYYGXXVSW-SNVBAGLBSA-N 252.789 3.863 0 40 CHAB O=C(CCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2 6236935 XHDRSMNZKZAJDD-UHFFFAOYSA-N 297.442 3.952 0 40 CHAB C[C@@H]1CCc2sc(C(=O)NC3CCCCC3)cc2C1 28085795 JRZURHWEHUDHMQ-LLVKDONJSA-N 277.433 3.935 0 40 CHAB CC(C)(CNC(=O)Nc1ccccc1)c1ccsc1 1565519597 YBALHPKWKRRAFS-UHFFFAOYSA-N 274.389 3.847 0 40 CHAB c1ccc(C[C@@H]2COC(c3ccc4ccccc4n3)=N2)cc1 35274185 DYPJONUSIRRGAX-MRXNPFEDSA-N 288.350 3.623 0 40 CHAB Cc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)o1 176480 VIBGDOQGWDQJHG-MDWZMJQESA-N 287.702 3.586 0 40 CHAB c1cncc(-c2nnc(-c3csc4c3CCCC4)o2)c1 20731547 GQPHMDVHLHGZND-UHFFFAOYSA-N 283.356 3.739 0 40 CHAB CC(C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 339871 ZITLRQNKMHBWGN-UHFFFAOYSA-N 294.807 3.982 0 40 CHAB Cc1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 363018 PQOGHSYNACTVPW-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CC(=O)C(C(C)=O)[C@H](c1ccccc1)c1ccc(C)cc1 378225 BDMRIQIABQKTQP-LJQANCHMSA-N 280.367 3.921 0 40 CHAB Cc1csc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 2623171 KNSNRYOTQQGTSL-VIFPVBQESA-N 296.779 3.511 0 40 CHAB Cc1cc(CN2CC=C(c3c[nH]c4ccccc34)CC2)no1 32769978 UTZSCHWSIAAYFQ-UHFFFAOYSA-N 293.370 3.754 0 40 CHAB CC(C)OCCCNC(=O)N[C@H](C)c1ccccc1Cl 32795187 QBQSUSPSVJXRPK-GFCCVEGCSA-N 298.814 3.515 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)n1c2nc2ccccc21 100870586 CUQCMKVZKQHUMW-QFYYESIMSA-N 254.333 3.600 0 40 CHAB CC1(C)CO[C@@H](Cn2c3ccccc3c3ccccc32)O1 545929 HJCHTYJANKXXRS-QGZVFWFLSA-N 281.355 3.946 0 40 CHAB O=c1c2ccccc2nc2n1CC/C2=C\C1CCCCC1 517439 JSUXOMFTZPXDRN-WYMLVPIESA-N 280.371 3.764 0 40 CHAB biogenic C[C@@H](CCc1ccccc1)NC(=O)c1ccc(F)c(F)c1 22595058 NTKZUAWGCABXTD-LBPRGKRZSA-N 289.325 3.716 0 40 CHAB O=C(c1ccc(Cl)s1)N1CCc2ccccc2C1 1054597 LGIBIRRZLQXDSY-UHFFFAOYSA-N 277.776 3.600 0 40 CHAB S=C(Nc1cccnc1)Nc1ccccc1Cl 1421017 KLYYVHJBOBBRKH-UHFFFAOYSA-N 263.753 3.544 0 40 CHAB Cc1cccnc1NC(=O)c1csc(-c2ccccc2)n1 12526522 DDULJJNSKXTNJO-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1C[C@H](O)[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1CC2 118931498 CJPFOFKWQJELAW-OQZODWCVSA-N 292.463 3.751 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1ccnc2ccccc12 78435709 GSLNWNMEJWLRJI-ZDUSSCGKSA-N 268.360 3.640 0 40 CHAB CCc1ccc(-c2nn(Cc3ccccc3)cc2C=O)cc1 3330555 RRDFHGPQEZKYNR-UHFFFAOYSA-N 290.366 3.973 0 40 CHAB CC(=O)c1c(C)[nH]c(-c2csc(C3CC3)n2)c1C 28334804 WCDUZIJFMJBKNO-UHFFFAOYSA-N 260.362 3.835 0 40 CHAB Cc1cc(NC(=O)NCC2(c3ccccc3)CCCC2)no1 12996897 JHZBQBKGLJKIQX-UHFFFAOYSA-N 299.374 3.617 0 40 CHAB C[C@@H](N(C)C(=O)CCc1c[nH]c2ccccc12)C(C)(C)C 12945795 DGLPBMXEKJBUOI-CYBMUJFWSA-N 286.419 3.994 0 40 CHAB Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)n1 48782745 UBXVRMNEFHFGIC-WDEREUQCSA-N 286.297 3.697 0 40 CHAB C[C@@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1 13014395 WVIUUVAXAYAEKK-SNVBAGLBSA-N 275.735 3.537 0 40 CHAB O=C(Nc1ccccc1O)c1csc(-c2ccccc2)n1 13005435 CZODAUGHNQEXCX-UHFFFAOYSA-N 296.351 3.768 0 40 CHAB Cc1cccc(C)c1NC(=O)NC[C@@H]1CC=CCC1 49300030 NKOBFAGTSXDAJO-CQSZACIVSA-N 258.365 3.781 0 40 CHAB CCOc1ncccc1C(=O)Nc1ccccc1C(C)C 6375476 USPDELULBKWRAF-UHFFFAOYSA-N 284.359 3.856 0 40 CHAB Cc1[nH]c2ccc(C(=O)N3CCc4ccccc43)cc2c1C 6754878 JPBSGZUBERRVNR-UHFFFAOYSA-N 290.366 3.988 0 40 CHAB Cc1cc(C)c(-c2cnc(-n3cnnc3)c(C)c2)c(C)c1 67540781 UIXJCLRUBMAGGX-UHFFFAOYSA-N 278.359 3.563 0 40 CHAB CSCCCNC(=S)Nc1cccc2c1CCCC2 16238166 WTUMBEPBTJPRKJ-UHFFFAOYSA-N 294.489 3.605 0 40 CHAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cncs1 9454893 DDQWWSKDEYVEMQ-UHFFFAOYSA-N 292.363 3.967 0 40 CHAB C[C@H](CCc1ccco1)NC(=O)Nc1ccc(F)cc1 9390257 LFRFXBBOKHKYSY-LLVKDONJSA-N 276.311 3.562 0 40 CHAB COc1cccc([C@H]2NCC[C@@H]2c2ccccc2)c1 84238174 IJEGNJDSCQSXES-IAGOWNOFSA-N 253.345 3.513 0 40 CHAB in-vitro Cc1ccsc1C(=O)N1CCC[C@H](c2nccs2)C1 171646453 STAZBJKXOHEBCM-NSHDSACASA-N 292.429 3.533 0 40 CHAB OC1(c2nc(-c3cccc(C(F)(F)F)c3)no2)CCCC1 125426633 GNKLAMDQIKXAEB-UHFFFAOYSA-N 298.264 3.517 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CCCCCN1 217460158 VNJYSURXIYOQLX-INIZCTEOSA-N 269.392 3.694 0 40 CHAB Cc1cc(SC2CCCCC2)ncc1[C@@H](C)N 72223842 QIUYMZIHKPUKNJ-LLVKDONJSA-N 250.411 3.835 0 40 CHAB CC(C)N1CCCC[C@@H]1c1cccnc1NC1CC1 72213738 AZXVVTDPPRIPGL-OAHLLOKOSA-N 259.397 3.591 0 40 CHAB CC(C)(C)OC(=O)N1CCC(c2ccsc2)CC1 71255371 ZHVNQPMGDCKAKA-UHFFFAOYSA-N 267.394 3.863 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Cc2ccccc2F)c(C)c1 139051566 TYWBMVLTUCKSJB-AWEZNQCLSA-N 285.362 3.862 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)NC[C@H](C)c1ccccc1 224414327 ZYYZAIZGZYJTDE-JKSUJKDBSA-N 297.398 3.682 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(C)cc1 44821607 GXYSVABGZBFRQF-GOSISDBHSA-N 297.398 3.777 0 40 CHAB CCOC(C)(C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225648197 ITECBGZAGCFZCZ-ZDUSSCGKSA-N 293.407 3.926 0 40 CHAB Cc1cccc(C)c1NC(=O)[C@@H]1Cc2ccccc2S1 84219721 GVXADKLAGHGDTE-HNNXBMFYSA-N 283.396 3.959 0 40 CHAB S=C(Nc1ccccc1)NC1(C2CC2)CCCC1 225840394 CJTSUZOYRAOETR-UHFFFAOYSA-N 260.406 3.696 0 40 CHAB CC[C@H](C)N1C(=O)CC[C@H]1c1c(C)n(C)c2ccccc12 85430339 LTGOYYRQYNHPNS-LRDDRELGSA-N 284.403 3.949 0 40 CHAB O=Cc1c[nH]c2ccc(COCc3ccccc3)cc12 89203508 CAZFZSHTLLIQSN-UHFFFAOYSA-N 265.312 3.697 0 40 CHAB C[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)[C@H](c2ccco2)C1 245316708 KFKLXQUBBKVNPA-KFWWJZLASA-N 291.391 3.538 0 40 CHAB CC[C@H](C(=O)O)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260621908 PRINFNJWELKMDJ-TZMCWYRMSA-N 275.392 3.950 0 40 CHAB O=C1CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 47915422 HIUMGKLRRQVUEG-GOSISDBHSA-N 279.383 3.810 0 40 CHAB COc1cc(NC(=S)Nc2ccccc2)cc(OC)c1 6027200 ALPUCBDZXPLNJV-UHFFFAOYSA-N 288.372 3.513 0 40 CHAB C[C@@H]1CC(C(O)(C(=O)O)C2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C1 5047886 XELKVMBMOPGCFY-HMUPUZKASA-N 296.451 3.947 0 40 CHAB Cc1sc2nc(=O)c3ccccc3n2c1-c1ccccc1 16755355 YMIKRHZRWIYQHN-UHFFFAOYSA-N 292.363 3.885 0 40 CHAB Clc1nnc(-c2ccccc2)n1Cc1ccccc1 32627150 MYRBSCDFIIDPDV-UHFFFAOYSA-N 269.735 3.647 0 40 CHAB in-vitro COc1ccc(CNc2nc(=S)[nH]c3ccccc23)cc1 425005 VHGBWGHMDSRVFI-UHFFFAOYSA-N 297.383 3.913 0 40 CHAB CCc1noc(CSC2=Nc3ccccc3CS2)n1 40049451 VOGAYVJNSIZWOZ-UHFFFAOYSA-N 291.401 3.800 0 40 CHAB O=C(Oc1ccc(Cl)cc1)c1cccnc1Cl 20032057 PICGLWYZZFKYOR-UHFFFAOYSA-N 268.099 3.608 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1cccs1 152246 KTKUWXWQRFBSRC-CYBMUJFWSA-N 257.358 3.556 0 40 CHAB OC1=Nc2n[nH]cc2[C@@H](c2c(F)cccc2Cl)SC1 20737402 VMPIKNSMYKRXSB-NSHDSACASA-N 297.742 3.626 0 40 CHAB C[C@@H]1CCc2c(sc3ncnc(N4CCCCC4)c23)C1 383338 UNXTXIYUGSSXPM-LLVKDONJSA-N 287.432 3.806 0 40 CHAB Cc1ccc(NC(=O)C[C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 3845468 TYQWYBWNFZCZMT-CLCXKQKWSA-N 299.414 3.965 0 40 CHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1 6551830 ZTXLPZNLBMAYED-UHFFFAOYSA-N 293.370 3.546 0 40 CHAB O=C(CCc1ccc(F)cc1)Nc1ccc(F)c(F)c1 7135545 DHXGFFNICWFJMV-UHFFFAOYSA-N 279.261 3.675 0 40 CHAB CN(Cc1ccccc1)C(=S)Nc1ccc(F)cc1 7557875 IKCKZCBHUQZRKH-UHFFFAOYSA-N 274.364 3.655 0 40 CHAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccsc1 32907738 RMZCXHBUYPNQGW-ZJUUUORDSA-N 277.311 3.599 0 40 CHAB CCc1cc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1 32908984 PLPWTFQANFJLIK-UHFFFAOYSA-N 295.371 3.874 0 40 CHAB COc1ccc(COc2ccc(C=O)cc2Cl)cc1 8731839 ZCSMXEZZMBGPBA-UHFFFAOYSA-N 276.719 3.740 0 40 CHAB c1cc2c(s1)[C@@H]1CCCC[C@H]1O[C@]21CN2CCC1CC2 103032501 YOTNJKHOKZAJDD-UNEWFSDZSA-N 289.444 3.725 0 40 CHAB O=C(O)c1ccc2nc(-c3ccccc3Cl)oc2c1 33420222 QMVMDUYJZFKWSZ-UHFFFAOYSA-N 273.675 3.846 0 40 CHAB O=C(C[C@H]1CCCO1)N[C@@H](c1cccs1)C1CCCC1 47110379 SFXUUZPDRXCBQE-CZUORRHYSA-N 293.432 3.665 0 40 CHAB COc1cccc(NC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 100796304 XADCVSJYYXXUHF-JXFSHQFZSA-N 288.391 3.641 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@H](C)c1ccccc1 104869673 FHDNOEFTTDQUOC-IIAWOOMASA-N 274.408 3.968 0 40 CHAB N=C(COc1ccc(Cl)cc1Cl)N1CCCCC1 3159247 RWAWWXJWFLBNTL-UHFFFAOYSA-N 287.190 3.835 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)[C@H](COC(=O)c2ccccc2)C1=O 103210824 VFYMSGHHSKKLOQ-KBMXLJTQSA-N 288.387 3.731 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C 25769314 MAFXNZDMVZTCFP-GXFFZTMASA-N 290.432 3.809 0 40 CHAB Cc1ccc([C@@H](O)CN2CCCc3cc(C)ccc32)cc1 44124508 VHZGOYZJWHBMNQ-IBGZPJMESA-N 281.399 3.790 0 40 CHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C)cc1 20491495 ATMVTNJOCWAGSX-QGZVFWFLSA-N 299.370 3.800 0 40 CHAB COc1ccc(NC(=O)C(C)(C)c2ccccc2)c(C)c1 171304737 QOBBFBJFLXXLTG-UHFFFAOYSA-N 283.371 3.920 0 40 CHAB Nc1onc(-c2cccc(F)c2)c1Cc1ccccc1 26512498 SYGAXEORVOXMGV-UHFFFAOYSA-N 268.291 3.654 0 40 CHAB CC(=O)c1ccc(NC(=O)CCOc2cccc(C)c2)cc1 3345979 ZZNGXPALJGBEJL-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB O=C(O)c1cccnc1Nc1cc(Cl)cc(Cl)c1 20545995 IEAOOUDGPIGRKG-UHFFFAOYSA-N 283.114 3.830 0 40 CHAB Cc1ccc(NC(=O)c2nc(-c3cccs3)oc2C)nc1 36398391 UUMOAOJZFCRLBZ-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CCCOc1ccc(C(=S)NCc2ccccc2)cc1 408574364 MAAONFZBMUFXDC-UHFFFAOYSA-N 285.412 3.941 0 40 CHAB COc1cccc(C(=O)c2ccc(C(F)(F)F)cc2)c1 38875322 VUEGCVXHZIMKLZ-UHFFFAOYSA-N 280.245 3.945 0 40 CHAB COCCOc1cc(-n2cccc2)c(Cl)cc1Cl 4053023 FVRJOWKZPUREJO-UHFFFAOYSA-N 286.158 3.809 0 40 CHAB CC[C@H](C)NC(=O)N[C@@H](CC)c1cccc(Cl)c1 13746449 YMBFKFJZXJPYFP-GWCFXTLKSA-N 268.788 3.889 0 40 CHAB COCc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1 14171121 FQQVZLKVEQAEGU-AWEZNQCLSA-N 283.371 3.632 0 40 CHAB Clc1ccc(O[C@@H]2CCNC2)c(Cc2ccccc2)c1 14632293 FDZIEVZAPVOSFO-MRXNPFEDSA-N 287.790 3.672 0 40 CHAB CC(=O)c1ccc(CN2CCCCC2)c(OC(C)C)c1 6760599 JYHXNHZXDNROCP-UHFFFAOYSA-N 275.392 3.662 0 40 CHAB C[C@@H](NC(=O)COc1ccccc1)c1ccccc1Cl 7597539 QPENQFFLVUBYMQ-GFCCVEGCSA-N 289.762 3.596 0 40 CHAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(C)no1 7990644 PBOJDVJGOXHZRS-SNVBAGLBSA-N 258.321 3.749 0 40 CHAB O=C(CCc1ccccc1F)Nc1cccc2ncccc12 8039495 UESFAVQATOHUCV-UHFFFAOYSA-N 294.329 3.945 0 40 CHAB O=C([C@@H]1C[C@H]1c1ccco1)N(Cc1cccc(F)c1)C1CC1 84372465 FQBQDFHTHKXSOO-HZPDHXFCSA-N 299.345 3.713 0 40 CHAB Cc1cccc(Cl)c1NC(=O)CSc1ccncc1 85296216 CEWPSZZKIBWHOP-UHFFFAOYSA-N 292.791 3.774 0 40 CHAB Cc1cc(CN(C)C)cc(NC(=O)CCC2CCCC2)c1 89585353 YEMBHARUAXDOAB-UHFFFAOYSA-N 288.435 3.966 0 40 CHAB CCN1C(=O)S/C(=C/c2ccc(OC(C)C)cc2)C1=O 409097768 JICOAGORCYLMPD-UKTHLTGXSA-N 291.372 3.530 0 40 CHAB Cc1cc(F)ccc1C(=O)c1cc(F)cc(F)c1 55200022 ZIKFKSVGHKTSTD-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Cc1nc(SCc2ccccc2)ccc1[C@H](C)O 72224491 HEOXBKPMQOSRNF-LBPRGKRZSA-N 259.374 3.736 0 40 CHAB CC(C)C(=O)c1ccc(OC(F)(F)C(F)F)cc1 60057471 CBKXNCKNJOTQGM-UHFFFAOYSA-N 264.218 3.762 0 40 CHAB CC(=O)N1CCC[C@@H]1c1cccnc1Nc1ccccc1 72214131 PBBMRXWOSSLFIM-MRXNPFEDSA-N 281.359 3.509 0 40 CHAB Cc1cccc(C(=O)NCCSCc2ccccc2)c1 41007986 UKACFQNTOMCIMZ-UHFFFAOYSA-N 285.412 3.658 0 40 CHAB CCn1c(C)c(C(C)=O)c2cc(OC(C)C)ccc21 223772254 WHXZULPPMNXOGJ-UHFFFAOYSA-N 259.349 3.959 0 40 CHAB COc1ccc(Nc2ncc(Br)cc2C)cc1 42784054 GNKQIAOIUVYWQT-UHFFFAOYSA-N 293.164 3.905 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCC1CCCCC1 224621136 VBBCZKUKTOZGSN-KRWDZBQOSA-N 289.419 3.849 0 40 CHAB Cc1cccc(N2Cc3nc4ccccc4cc3C2=O)c1 96026292 MWJPCBDZXFSVEO-UHFFFAOYSA-N 274.323 3.704 0 40 CHAB C[C@@H]1CCc2c(-c3ccccc3)[nH]c(=S)c(C(N)=O)c2C1 95117572 GCGGCIFLKAAPAT-SNVBAGLBSA-N 298.411 3.635 0 40 CHAB CC(C)(C)C1=N/C(=C\c2ccc(Cl)cc2)C(=O)O1 5283933 WSYVGIMRJVJLQU-FLIBITNWSA-N 263.724 3.682 0 40 CHAB CCCCC(=O)[C@@H](CCC)C(=O)Nc1ccccc1 5523579 ILNULFSFVBPLAD-CQSZACIVSA-N 261.365 3.801 0 40 CHAB CCOc1cc(C=O)cc(Cl)c1O[C@H](C)CC 5655281 MBTHYQHISPKHEG-SECBINFHSA-N 256.729 3.729 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1 12340123 ZGDJKBIGXVLSEZ-NSHDSACASA-N 272.373 3.899 0 40 CHAB Cc1ccsc1C(=O)N(C)[C@H](C)c1cccs1 40013180 BLUVJYPQLOLDTN-SNVBAGLBSA-N 265.403 3.951 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)CCCc1cccs1 40161052 YOMWNDNDIYKTRJ-GXTWGEPZSA-N 265.422 3.766 0 40 CHAB CCC(=O)Nc1ccc([C@@H](C)NCc2ccc(C)o2)cc1 30640823 MVJIWSGBQFMRNG-CYBMUJFWSA-N 286.375 3.787 0 40 CHAB CCCCC(=O)[C@H](CCC)C(=O)Nc1ccccc1 1700601 ILNULFSFVBPLAD-AWEZNQCLSA-N 261.365 3.801 0 40 CHAB NC[C@@H]1c2ccccc2C=Cc2ccc(Cl)cc21 346944 QCWCAHQGBJXAGH-MRXNPFEDSA-N 255.748 3.914 0 40 CHAB Cc1cccc(OC(=O)c2sc(Cl)nc2C)c1 384922 RVBZDAIUINRNMQ-UHFFFAOYSA-N 267.737 3.633 0 40 CHAB COc1ccccc1/C=C/C(=O)Nc1ccc(C)cc1 3548065 IDNGTNGIEKTCRN-FMIVXFBMSA-N 267.328 3.656 0 40 CHAB CCN(CC)C(=O)Cn1c(C)c(C(C)C)c2ccccc21 6629812 PCADAZNVMPMYPF-UHFFFAOYSA-N 286.419 3.942 0 40 CHAB C[C@@H]1CCc2onc(C(=O)Nc3ccc(Cl)cc3)c2C1 7000141 UONPSUNOQHZRAV-SECBINFHSA-N 290.750 3.705 0 40 CHAB CCCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1 2699806 GXXGEUCCHBCHLH-UHFFFAOYSA-N 297.354 3.740 0 40 CHAB Cc1sc(N)c(-c2nc(-c3ccccc3)no2)c1C 100753376 NICUPOASFWSNJM-UHFFFAOYSA-N 271.345 3.664 0 40 CHAB Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2O)cc1 10157354 VLFSOUGTMPVCGS-UHFFFAOYSA-N 268.291 3.692 0 40 CHAB Cc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)c(C)o1 32905299 VBYOBEJMFDBTEL-INIZCTEOSA-N 269.344 3.656 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN1C[C@@H]2CCCC[C@@H]2[C@@H]31 518993 HKCFIODYAGNXJQ-PJFSTRORSA-N 296.414 3.896 0 40 CHAB biogenic COc1ccc(-c2noc(Cc3ccc(C)cc3)n2)cc1 578038 QIOOOPUBJDEOKM-UHFFFAOYSA-N 280.327 3.644 0 40 CHAB O=C(Nc1ccccc1F)c1cc2ccccc2c(=O)s1 12274415 ILJXHMZIQXKGDV-UHFFFAOYSA-N 299.326 3.653 0 40 CHAB CC(C)=CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 22897599 NHESQLUDZYLAJR-UHFFFAOYSA-N 290.363 3.778 0 40 CHAB Fc1cc2ncn(Cc3cccc4cccnc34)c2cc1F 24427251 BZVURZCNKJOFOE-UHFFFAOYSA-N 295.292 3.911 0 40 CHAB Cc1noc(C)c1CN[C@H]1CCSc2c(F)cccc21 105984396 IJUAFTDEVNLQFB-AWEZNQCLSA-N 292.379 3.757 0 40 CHAB N[C@H](c1ccccc1)c1cccc(OC(F)(F)F)c1 61703524 GGUSUPPKEBBKNN-CYBMUJFWSA-N 267.250 3.633 0 40 CHAB Cc1cc2nc(NCc3ccccn3)sc2cc1C 26422502 PUFFZOJFOAUKJN-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB CN[C@@H](C)CC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2Br 100386861 WARBFBZIVXACJQ-WVMPMJLQSA-N 286.257 3.574 0 40 CHAB O=C(NC1CC1)c1sc2cc(F)ccc2c1Cl 3208390 IVTWRUVEMNPXEE-UHFFFAOYSA-N 269.728 3.586 0 40 CHAB CCOc1ccc(CNC(=O)Nc2ccc(CC)cc2)cc1 44845393 YUBAAQKYPOAHMU-UHFFFAOYSA-N 298.386 3.969 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2)C1 3313092 OSFKVFNXNTVZMW-GHMZBOCLSA-N 285.309 3.824 0 40 CHAB Cc1noc(C)c1COc1ccc(F)c2c1C(=O)C[C@H]2C 48250486 YYKNUFOVIAVIAT-MRVPVSSYSA-N 289.306 3.699 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccc[nH]c1=S 12893128 LRQRZOQLSDQUED-NSHDSACASA-N 266.410 3.690 0 40 CHAB C[C@@H](Nc1ccc2c(c1)CCC2)c1nc(C2CC2)no1 48674231 VDPMCMAKCOQWEF-SNVBAGLBSA-N 269.348 3.609 0 40 CHAB O=C(NC[C@@H]1CCCc2ccccc21)[C@@H]1CC=CCC1 13004367 VXDYCRLRCQKWDF-CVEARBPZSA-N 269.388 3.579 0 40 CHAB Cc1ccccc1CNC(=O)c1ccc(OC(F)F)cc1 5089784 NIRKNMMSYLDZSZ-UHFFFAOYSA-N 291.297 3.526 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 65727429 AQRWTIKKFFSMID-CJNGLKHVSA-N 297.402 3.793 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1 8705707 MQVGHIVNMQPXDP-UHFFFAOYSA-N 291.354 3.807 0 40 CHAB C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)NC1CC1 6652531 SYHNVYAMSBTBMW-ZDUSSCGKSA-N 297.354 3.525 0 40 CHAB Cc1ccc(CN(C)C(=O)c2sccc2C2CC2)o1 67129017 VDHPICAYAPUSJI-UHFFFAOYSA-N 275.373 3.799 0 40 CHAB Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2F)cc1 7223239 RESFEVFUCKEHRU-GFCCVEGCSA-N 272.323 3.573 0 40 CHAB COc1ccc(Nc2cc(-c3ccc(OC)cc3)n[nH]2)cc1 68754784 ZQNRUFGOOCSTPP-UHFFFAOYSA-N 295.342 3.838 0 40 CHAB CCCc1ccc([C@@H](NCc2nnc(C)o2)C(C)C)cc1 96982040 QJYSXFJPMMPVPV-KRWDZBQOSA-N 287.407 3.817 0 40 CHAB CC[C@@H](c1ccccc1)[S@@](=O)Cc1nc(C)c(C)o1 97083631 KNDFGTMXAUBJBN-IFXJQAMLSA-N 277.389 3.691 0 40 CHAB Cc1nc(C[S@@](=O)[C@@H](C)c2cccc(Cl)c2)oc1C 97083660 PDQGVGLLSAATQU-WLRWDXFRSA-N 297.807 3.955 0 40 CHAB O=C(CCSc1ccccc1Cl)Nc1nccs1 9723480 DOVHZSTYYKBODB-UHFFFAOYSA-N 298.820 3.917 0 40 CHAB c1ccc2c(CN3CCC[C@@H]3CN3CCCC3)cccc2c1 84598423 UTBZSIKFIQSCSN-LJQANCHMSA-N 294.442 3.900 0 40 CHAB COc1ccc([C@@H](C)Nc2nccc(C(F)(F)F)n2)cc1 88218658 UMLKWTWAKZPWHR-SECBINFHSA-N 297.280 3.677 0 40 CHAB CCc1cccc(N2Cc3ccccc3O[C@H](C)C2=O)c1 75165486 IGKYPWHJTICAOU-CYBMUJFWSA-N 281.355 3.563 0 40 CHAB CCOc1ccc(C(=S)NCc2cccc(C)c2)cc1 408576194 VRMZLGFKHDCMJY-UHFFFAOYSA-N 285.412 3.859 0 40 CHAB O=C(O)[C@@H]1CCc2c1c1ccccc1n2-c1ccccc1 217910085 NRCOMRKTGMEBHA-CQSZACIVSA-N 277.323 3.745 0 40 CHAB CNC[C@H]1C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 70453167 HSFKHCXRMWCJII-RKDXNWHRSA-N 263.690 3.682 0 40 CHAB CCSc1ccc([C@@H]2CCCN2CC(C)C)cn1 72217124 XIGWRLFXWBMVER-AWEZNQCLSA-N 264.438 3.987 0 40 CHAB CC(=O)c1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1O 30822732 JFIUEDSTMHEBEL-UHFFFAOYSA-N 294.306 3.677 0 40 CHAB biogenic CCOC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)no1 78404313 WOXNFWMSNLAQPK-UHFFFAOYSA-N 294.310 3.580 0 40 CHAB O=C(CCc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 199736788 CUKNKCCMLSCINF-UHFFFAOYSA-N 290.265 3.509 0 40 CHAB CCCCNCc1cc(Cl)ccc1Br 85219887 SYVXPSYJSVVSSC-UHFFFAOYSA-N 276.605 3.992 0 40 CHAB Cc1cccc(O[C@@H](Cc2cc(C)ccc2C)C(=O)O)c1 225027638 FOPLOZCRZGSCLS-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB O=C(c1ccc(Cl)cn1)N1CCC[C@@H]2CCCC[C@@H]21 89794258 NYRMUJRRSBOLAE-FZMZJTMJSA-N 278.783 3.530 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(C)c(Cl)c1 43214468 YTKUESWYSXJNLS-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB CC1=Nc2sc3c(c2[C@H](SC(F)F)N1)CCC3 96305910 GUGJFEPAKUBXJT-JTQLQIEISA-N 274.361 3.844 0 40 CHAB CCCCNC(=O)c1ccc(-c2ccc(C)cc2)nc1C 257173593 RMVZOMCNKJLVHH-UHFFFAOYSA-N 282.387 3.895 0 40 CHAB CC(=O)Nc1c(C(C)(C)C)cc(N)cc1C(C)(C)C 96316024 UCIRXUDAVQAJLJ-UHFFFAOYSA-N 262.397 3.822 0 40 CHAB Cc1cc(Cl)nc(Cc2ccc(Cl)cc2)n1 37409132 SOOILDRYTPTSLQ-UHFFFAOYSA-N 253.132 3.683 0 40 CHAB Cc1c(Br)c(-c2ccc(Cl)s2)nn1C 84702714 ADMWKKZPFWWMTN-UHFFFAOYSA-N 291.601 3.873 0 40 CHAB Cc1ccsc1CCC(=O)N1CCC2(CC1)CC2(F)F 675007741 MQXNNIIREOHNEG-UHFFFAOYSA-N 299.386 3.637 0 40 CHAB NC(=S)N1N=C2CCCCCC[C@H]2[C@@H]1c1ccccc1 17213709 LZUFXUCJBCSOMY-HIFRSBDPSA-N 287.432 3.613 0 40 CHAB CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](O)C1)[C@@H]32 4214628 HONLKDDLTAZVQV-UHOSZYNNSA-N 296.414 3.625 0 40 CHAB biogenic,in-man CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)C)c1 9141934 HVURHRNPBNMELF-UHFFFAOYSA-N 282.771 3.673 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 31389489 MSPCBPCVYURCET-NQBHXWOUSA-N 286.400 3.616 0 40 CHAB CSc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1 12520570 HAWIWTZNRDUAFU-UHFFFAOYSA-N 283.356 3.537 0 40 CHAB C[C@@H](COc1ccccc1)OC(=O)Nc1ccccc1 1688928 CEMMFWQMZLORBN-ZDUSSCGKSA-N 271.316 3.703 0 40 CHAB CC(C)c1nn2c(-c3ccc(Cl)cc3)nnc2s1 12389701 ABPAOEJGKASXPJ-UHFFFAOYSA-N 278.768 3.630 0 40 CHAB O=C(Nc1nc2ccccc2[nH]1)c1cccc2ccccc12 13218630 OAEVJRRNGZZMHV-UHFFFAOYSA-N 287.322 3.968 0 40 CHAB CC[C@H](C)C(=O)Nc1ccccc1S[C@H](CC)C(=O)O 8732871 MMJADUJNIUOJJG-CMPLNLGQSA-N 295.404 3.627 0 40 CHAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(Cl)s1 32037642 GTRHXQVIOZAYSO-VHSXEESVSA-N 269.797 3.935 0 40 CHAB Cn1c(=O)c(-c2ccc(Cl)cc2)c(O)c2ccccc21 101085607 XGRDYBRIIFXXBB-UHFFFAOYSA-N 285.730 3.565 0 40 CHAB CCOC(=O)c1nocc1-c1cccc2ccccc12 1857794082 JDNIODMUNQODCB-UHFFFAOYSA-N 267.284 3.672 0 40 CHAB CCOc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 568906 SBVPBVFIYOKSRH-UHFFFAOYSA-N 299.414 3.640 0 40 CHAB CCSc1nnc(S[C@@H](C)c2ccncc2)s1 69740193 LJJFSSMFMGXFRV-QMMMGPOBSA-N 283.447 3.898 0 40 CHAB CN(C)CC(C)(C)Oc1ccccc1Cc1ccccc1 1718675 ZVSLERSLGCJAFL-UHFFFAOYSA-N 283.415 3.996 0 40 CHAB Cc1nc(N)nc(Cl)c1Cc1cccc2ccccc12 4575295 KCVHWCWVJLPEMD-UHFFFAOYSA-N 283.762 3.765 0 40 CHAB O=NNc1cnc(-c2ccccc2)c(-c2ccccc2)n1 6582438 ZDTKPQITWLNROK-UHFFFAOYSA-N 276.299 3.904 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(F)cc1 7527198 CDIHTPJENUNWDR-ZWNOBZJWSA-N 266.385 3.691 0 40 CHAB CCc1ccc(NC(=O)CCc2ccccc2F)cc1 8284334 QDDVAYQMAUXAJW-UHFFFAOYSA-N 271.335 3.959 0 40 CHAB CCCCCCC(=O)Nc1ccc(Cl)cc1N 8732418 WTWMAPBYOVQHTQ-UHFFFAOYSA-N 254.761 3.831 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2C)c1 557907 TYWJTQILLOGJOL-UHFFFAOYSA-N 296.370 3.904 0 40 CHAB CC[C@@H](C)Nc1nc(-c2cccnc2)nc2ccccc12 892016 ICHVUPHTLBHKJK-GFCCVEGCSA-N 278.359 3.902 0 40 CHAB CC[C@H](C)N1C(=O)c2ccccc2NC12CCCC2 66130208 BQPMBTKYPAIELJ-LBPRGKRZSA-N 258.365 3.623 0 40 CHAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1nc(-c2ccccc2)c[nH]1 58194255 JRMIMOLWSFNTFH-KBPBESRZSA-N 295.386 3.610 0 40 CHAB CCCCC(=O)NCCc1csc(-c2ccccc2)n1 27994926 TXGCWVYGILPTSU-UHFFFAOYSA-N 288.416 3.659 0 40 CHAB C[C@H](NC(=O)Nc1ccccc1Cl)c1ccncc1 28579919 JFYBJXJQYOLNCJ-JTQLQIEISA-N 275.739 3.618 0 40 CHAB O=C(c1ccc(F)c(F)c1)N1CCSc2ccccc21 48373964 XSSKKMBWTVBRSL-UHFFFAOYSA-N 291.322 3.717 0 40 CHAB C[C@@H](c1cccs1)N(C)Cc1ccc2c(c1)OCCO2 48331691 LLUPUXQFIFTIRL-LBPRGKRZSA-N 289.400 3.712 0 40 CHAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1F 8241253 SSMLMNNZWVKDTL-UHFFFAOYSA-N 299.345 3.504 0 40 CHAB CC(C)N(Cc1ccccc1)C(=O)c1cccc(F)c1 6376202 FPHPDZATUFQBEX-UHFFFAOYSA-N 271.335 3.877 0 40 CHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)C(C)(C)C 60106171 UXGRIZQBBQJDPX-UHFFFAOYSA-N 285.347 3.562 0 40 CHAB CC(=O)c1cnc2ccc(Br)cc2c1Cl 66054503 TZSUMDMNMCGUEP-UHFFFAOYSA-N 284.540 3.853 0 40 CHAB in-vitro O=C(O)CCCC(=O)Nc1ccc2c(c1)oc1ccccc12 4854621 OSEYXZGLXVPXBG-UHFFFAOYSA-N 297.310 3.779 0 40 CHAB CCc1ccc(O[C@H](C)C(=O)Nc2ccc(N)cc2C)cc1 19736414 FCWNTNCVIMVYNQ-CYBMUJFWSA-N 298.386 3.546 0 40 CHAB COc1ccc(Cl)cc1CN[C@H](C)c1cncc(F)c1 95421139 NRICYUTXJAVSAD-SNVBAGLBSA-N 294.757 3.734 0 40 CHAB Cc1cccnc1CN1CCc2c1cccc2C(F)(F)F 545396567 TZPUOVVICKVQJA-UHFFFAOYSA-N 292.304 3.972 0 40 CHAB CS[C@H](C)C(=O)N[C@@H](c1ccccc1)c1cccs1 42849883 ZCHWGLKXTNHSNZ-RISCZKNCSA-N 291.441 3.705 0 40 CHAB CC(C)Oc1ncccc1[C@@H]1CCCCN1C(C)C 72211980 BEMMMKCMKCGQSW-HNNXBMFYSA-N 262.397 3.804 0 40 CHAB Cc1ccc(F)cc1NC(=O)N[C@@H]1CCCC[C@@H]1C 40023829 LQXDDDMUTZMUJX-GXFFZTMASA-N 264.344 3.834 0 40 CHAB CCCOc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1 45889415 RVSIVQVFCVLGMR-UHFFFAOYSA-N 298.386 3.927 0 40 CHAB CC[C@@H]1CCCCN1c1ccc(Br)cn1 42376832 ZKNGVUDBVZPNSA-LLVKDONJSA-N 269.186 3.613 0 40 CHAB CCCC[C@H](CC)CNS(=O)(=O)Cc1ccc(C)cc1 224170100 BGUIEMPRSNJUQQ-HNNXBMFYSA-N 297.464 3.631 0 40 CHAB Cc1cc(COc2ccc(Cl)cc2Cl)no1 48332316 VDBKGUCQSWVJHZ-UHFFFAOYSA-N 258.104 3.869 0 40 CHAB Cc1csc(NC(=O)C2(c3ccccc3Cl)CC2)n1 41527336 QYPPBUATLOLHJP-UHFFFAOYSA-N 292.791 3.775 0 40 CHAB COc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1C 225134923 ZNOHNVVAVZURRN-AWEZNQCLSA-N 283.371 3.537 0 40 CHAB C[C@H]1CCn2c(nc3cc(C(F)(F)F)ccc32)C1 226251546 DURLYKAUGVGLDV-QMMMGPOBSA-N 254.255 3.637 0 40 CHAB CCCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 80461519 NELSPFIULOTYEV-CYBMUJFWSA-N 268.360 3.726 0 40 CHAB C[C@@]12CC3CC(NC(=O)c4ccco4)(C1)C[C@](C)(C3)C2 16605674 HLDVZZYEHAALMM-TWDRJXRQSA-N 273.376 3.758 0 40 CHAB CCCCCN(CCCCC)C(=O)CCC(=O)OCC 4726814 PCCBJWJLYTUNAH-UHFFFAOYSA-N 285.428 3.539 0 40 CHAB C[C@H]1CCCN(Cc2c([C@H]3CCCO3)[nH]c3ncccc23)C1 19496569 VDPLXOGYOJQZNK-XJKSGUPXSA-N 299.418 3.646 0 40 CHAB O=C1OC(Cc2ccccc2)=N/C1=C/c1ccc(Cl)cc1 205043966 RAWWGXCYQQTIMC-XNTDXEJSSA-N 297.741 3.879 0 40 CHAB CCCCc1cc(C(=O)Cc2ccccc2)c(O)cc1O 2029147 PWHXLVGLHQFALJ-UHFFFAOYSA-N 284.355 3.866 0 40 CHAB biogenic C[C@@H](NC(=O)c1ccsc1)c1cc2ccccc2o1 8240943 HFDBIPRWUFYRQB-SNVBAGLBSA-N 271.341 3.985 0 40 CHAB COc1ccccc1CN[C@@H](C)c1cccc(NC(C)=O)c1 28924765 DSGGKXGBKPNQTK-ZDUSSCGKSA-N 298.386 3.504 0 40 CHAB O=C(COc1ccccc1)c1cccc(C(F)(F)F)c1 48102518 KWOPRQFEBYSFDR-UHFFFAOYSA-N 280.245 3.967 0 40 CHAB O=C(COC1CCCCC1)N[C@H]1CCCc2ccccc21 40140226 OJBWJANVFMGNOQ-KRWDZBQOSA-N 287.403 3.530 0 40 CHAB CC(C)(C)c1nc(N2CCCCC2)c2ccccc2n1 129589 QBQLWJJDVJLYAH-UHFFFAOYSA-N 269.392 3.918 0 40 CHAB Cc1sc2ncnc(Nc3ccc(O)cc3)c2c1C 148656 VCSVHMZXGGPANP-UHFFFAOYSA-N 271.345 3.757 0 40 CHAB O=C(Nc1ccccc1Cl)C1SCSCS1 114504 NORJQTJRXVCPLL-UHFFFAOYSA-N 291.850 3.733 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2sccc2C)c1C 32753693 OYIMRIKAYKMRHM-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB CC(C)(C)c1ccc(CCC(=O)NC2CCCC2)cc1 10366146 PPQLHUWNHVYPAA-UHFFFAOYSA-N 273.420 3.976 0 40 CHAB CCOc1ccc(C(=O)Nc2ccccc2)cc1Cl 59102578 ZQYVELBLVMDFML-UHFFFAOYSA-N 275.735 3.991 0 40 CHAB Cc1ccc(C[S@@](=O)Cc2cccc(C)c2)cc1 58292283 SAISKXBDTRDYNT-SFHVURJKSA-N 258.386 3.752 0 40 CHAB CC[C@H](C)n1c(C(C)=O)nc2ccc(Cl)cc21 53944131 WGECSTAEUBDZGY-QMMMGPOBSA-N 250.729 3.863 0 40 CHAB Cc1c(-c2ccsc2)nn(Cc2ccccc2)c1N 26512193 NMPMDEBMINGKLB-UHFFFAOYSA-N 269.373 3.551 0 40 CHAB O=C(Cc1ccccc1)c1ccc(Br)s1 1406673 WNNMXAUWNZRTOR-UHFFFAOYSA-N 281.174 3.936 0 40 CHAB Cc1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 12632313 OFSAKVJIRVLCFC-UHFFFAOYSA-N 277.323 3.981 0 40 CHAB Cc1ccoc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 21934141 DJQXIYQIKQHUBZ-ZDUSSCGKSA-N 283.371 3.958 0 40 CHAB CC(C)Cc1nnc2sc(-c3cccc(Cl)c3)nn12 11278510 DHPXZDYBTBKLRO-UHFFFAOYSA-N 292.795 3.705 0 40 CHAB Cn1ccnc1CSc1nc2ccc(Cl)cc2o1 69899047 LRGIAYUKQGSTGH-UHFFFAOYSA-N 279.752 3.507 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)o1 8777640 PCCUGFVXCGVTLA-UHFFFAOYSA-N 283.249 3.537 0 40 CHAB O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)C1CC1 5451170 LGUUAKDVAJPEEX-UHFFFAOYSA-N 283.375 3.890 0 40 CHAB Cc1cc(C(=O)C(F)(F)Br)ccc1Cl 307391598 WPUAYBZNBFRDFG-UHFFFAOYSA-N 283.499 3.819 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 14903364 VINJMIKVPYFQOX-GWCFXTLKSA-N 283.318 3.597 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1ccccc1Cl 7476662 KQFHYNREXYBCJZ-UHFFFAOYSA-N 278.739 3.516 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CCc1cccnc1 8137756 CGICIZJXJBXMGI-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB Cc1ccsc1C(=O)OCCOc1ccccc1Cl 8327286 GWQWOEQSYMMAPY-UHFFFAOYSA-N 296.775 3.946 0 40 CHAB Cc1cc(C[C@H](C)NC(=O)CCCC2CCCCC2)n[nH]1 84111443 XGCUMMYJPPYYKX-ZDUSSCGKSA-N 291.439 3.516 0 40 CHAB CC(C)[C@@H](C)N(C)C(=O)/C=C/c1ccc(F)c(Cl)c1 95949162 SZKKXPWKBLNUDZ-LXSSAFMLSA-N 283.774 3.995 0 40 CHAB CC[C@H](C)N1C(=O)S/C(=C/C=C/c2ccco2)C1=O 409015459 RFBFSFVHIRAFHG-DLOCPLPGSA-N 277.345 3.671 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2)c(N)c1 70462824 OTNGKXPNYCNYEX-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccncc1 72211052 XSHSRKVGVXUKPR-ZDUSSCGKSA-N 262.353 3.544 0 40 CHAB C[C@@H]1C[C@]2(C)C(=O)CCCC[C@@H]2N1C(=O)OC(C)(C)C 212417992 JJZBQUFVLBPYIH-WQGACYEGSA-N 281.396 3.534 0 40 CHAB biogenic C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1F 32735875 ULOPAHKPKNSJLU-AWEZNQCLSA-N 295.361 3.862 0 40 CHAB Clc1ccc(Cl)c(COC[C@H]2CCCCN2)c1 72203609 CLTSTSWSWNNNNQ-GFCCVEGCSA-N 274.191 3.652 0 40 CHAB CC(C)(C)c1cc(C(=O)O)n(Cc2ccccc2)c1 78404953 IQJMMBGZGAIDDH-UHFFFAOYSA-N 257.333 3.532 0 40 CHAB S=c1ccc(-c2ccc(Br)cc2)n[nH]1 40478856 QKSZXYKVUIVQBI-UHFFFAOYSA-N 267.151 3.569 0 40 CHAB Clc1c(Br)nnc2c(Cl)cccc12 225743891 IMWUHNLXKHSXEH-UHFFFAOYSA-N 277.936 3.699 0 40 CHAB Fc1cccc(F)c1NC(=S)NC1(C2CC2)CCCC1 225860394 PRJGUFFUROEMCH-UHFFFAOYSA-N 296.386 3.974 0 40 CHAB CCOP(=O)(OCC)C(F)(F)C1(O)CCCCC1 222062899 UVLFDFBENNZNHA-UHFFFAOYSA-N 286.255 3.541 0 40 CHAB Cc1cc(C(=O)N2CCCC2)c(C)n1C1CCCCC1 73091783 STZJJITYVXESFF-UHFFFAOYSA-N 274.408 3.846 0 40 CHAB FCCCCOc1cc(Br)cc(F)c1F 379932876 WKROIXSCVKJDJS-UHFFFAOYSA-N 283.087 3.856 0 40 CHAB CC[C@@H](c1ccccc1)c1n[nH]c(-c2cccc(N)c2)n1 642882602 RDBXQEVQEGMVDX-HNNXBMFYSA-N 278.359 3.596 0 40 CHAB Cc1ccc(CNC(=O)c2c(F)cccc2Cl)s1 49072334 GGEUTAFANKCQIU-UHFFFAOYSA-N 283.755 3.779 0 40 CHAB CCCCCC(=O)Nc1cc(C)c2nc(N)sc2c1 226308600 ZEGYLUBJGUQUQW-UHFFFAOYSA-N 277.393 3.706 0 40 CHAB CNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 5498462 VTQXKFKSTMEMJY-UHFFFAOYSA-N 297.464 3.965 0 40 CHAB Cc1cc(C2=CSC3=NCCCCN23)ccc1F 5793064 YFFPKTAEVLUATA-UHFFFAOYSA-N 262.353 3.631 0 40 CHAB CCN(CC)CCN[C@@H](Cc1ccccc1)c1ccccc1 19364993 JEORTHKQPXKVMO-FQEVSTJZSA-N 296.458 3.902 0 40 CHAB O=C(O)/C=C/c1cc(Cl)cc(Cl)c1Cl 2504965 AUGLTACVUSFXGQ-OWOJBTEDSA-N 251.496 3.745 0 40 CHAB Cc1cc(C)c(C(=O)NCc2ccccc2)cc1C 207574869 RJKCDKCANCBIGQ-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB O=C(NCCc1ccc(-c2cccs2)s1)C1CCC1 1889128212 ZQNPGBHVBBMBTG-UHFFFAOYSA-N 291.441 3.935 0 40 CHAB COc1ccccc1NC(=O)Nc1cn(C)c2ccccc12 5265797 DITWMZNVOJRHFP-UHFFFAOYSA-N 295.342 3.831 0 40 CHAB CC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 10386138 RWLWBJFBBQCKFH-CYBMUJFWSA-N 295.390 3.643 0 40 CHAB CCc1cnc(N(C)Cc2ccc(Cl)cc2Cl)nc1 2298124445 OKVVBJWCFUPSHR-UHFFFAOYSA-N 296.201 3.982 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1 20484240 XVMBVSYNKSJBDQ-UHFFFAOYSA-N 283.371 3.712 0 40 CHAB CCc1cccc(C)c1NC(=O)N[C@H](C)c1ccncc1 40525497 XEEVJTJBEAYXGW-CYBMUJFWSA-N 283.375 3.835 0 40 CHAB Cc1cc(C(=O)O)c(NC(=O)c2cccc(Cl)c2)s1 227469 DNPYUTFCSQBSLS-UHFFFAOYSA-N 295.747 3.660 0 40 CHAB CCn1c(-c2cccs2)c(CN)c2ccccc21 11805107 SUTFSCSAVDKQNE-UHFFFAOYSA-N 256.374 3.848 0 40 CHAB CC(C)Sc1nnc(-c2cccs2)n1C1CC1 32739691 ABSVFNSOIJTTFP-UHFFFAOYSA-N 265.407 3.842 0 40 CHAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O)cc1 3888032 SLCBEWVMMQNFTN-UHFFFAOYSA-N 296.301 3.685 0 40 CHAB CC(=O)Nc1ccc(OC/C=C/c2ccccc2)cc1 21550800 PJQVQJCJRQIGJT-VMPITWQZSA-N 267.328 3.737 0 40 CHAB Cc1ccccc1NC(=S)NCCCc1ccccc1 7530107 WDZOKHRSAUMJSJ-UHFFFAOYSA-N 284.428 3.914 0 40 CHAB COc1ccc(NC(=O)c2ccsc2)cc1OC(F)F 32905196 RVVYTIXOVVWHLG-UHFFFAOYSA-N 299.298 3.610 0 40 CHAB CC[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1 17841599 JPFHHWSZQMJMDY-SFHVURJKSA-N 296.414 3.942 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)C=C2C(=O)Oc1ccccc1 100363113 FIFOOLNKMDNDOS-RHSMWYFYSA-N 256.345 3.975 0 40 CHAB CCCCNC(=O)C(c1ccccc1)c1ccccc1 1594515 DWTFZCMKNAQOCN-UHFFFAOYSA-N 267.372 3.735 0 40 CHAB FC(F)(F)Oc1ccc([C@@H]2NCCc3sccc32)cc1 20390592 HTPMFEFHLOIZKI-ZDUSSCGKSA-N 299.317 3.882 0 40 CHAB O[C@H](CNCc1ccc2ccccc2c1)c1ccccc1 35111694 DVNIZVFLKYHUBG-LJQANCHMSA-N 277.367 3.663 0 40 CHAB Oc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 26779552 QOWKAANWZRYSHF-UHFFFAOYSA-N 274.629 3.521 0 40 CHAB COc1ccc2cc(CNCc3ccc(C)nc3)ccc2c1 47825973 UMGQWBXKLCVZFL-UHFFFAOYSA-N 292.382 3.842 0 40 CHAB CC(C)CC(=O)NCC[C@@H](c1ccccc1)c1ccco1 2134518 PVCSGVQIZWAYMV-INIZCTEOSA-N 285.387 3.964 0 40 CHAB biogenic Fc1ccc(CSc2ncn(-c3ccccc3)n2)cc1 2124128 ZISWUDCZAFNQOX-UHFFFAOYSA-N 285.347 3.699 0 40 CHAB CCOc1c(CNC(C)(C)C)cc(Cl)cc1OC 10436523 FHIRSTXYTJYEQJ-UHFFFAOYSA-N 271.788 3.635 0 40 CHAB Fc1cc(CN2CCc3sccc3C2)c2ncccc2c1 36391991 ZCROOSDEZUDLLZ-UHFFFAOYSA-N 298.386 3.994 0 40 CHAB Cc1ccc(CNC(=O)Cc2coc3cc(C)ccc23)cc1 3329791 YPJUXINJGDWVBC-UHFFFAOYSA-N 293.366 3.909 0 40 CHAB C/C=C/C=C/C(=O)Nc1nc2ccc(CC)cc2s1 12734859 WGOOFGQFUUXDDI-TWTPFVCWSA-N 272.373 3.930 0 40 CHAB CC(C)c1nnc(NC(=O)c2ccc(F)cc2Cl)s1 12981202 RDZPULFZCKVUCQ-UHFFFAOYSA-N 299.758 3.706 0 40 CHAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 4023564 LUJVUUWNAPIQQI-CFRSGVNKSA-N 284.399 3.863 0 40 CHAB biogenic,in-vitro Cc1ccccc1[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 69873982 DXORNEOQPBBWCL-CVEARBPZSA-N 269.388 3.667 0 40 CHAB C[C@H]1CCCN(C(=O)Nc2ccccc2Br)C1 13746088 USOVBCTVNSBDEG-JTQLQIEISA-N 297.196 3.713 0 40 CHAB CCn1c([C@H](C)N2CCCCC2)nc2ccccc21 6745989 CGPXQHLRSFVUHO-ZDUSSCGKSA-N 257.381 3.603 0 40 CHAB C[C@H]1CCc2c(sc3c2[C@@H](c2ccncc2)CC(=O)N3)C1 15085220 QOAWQQMAPPNTDG-GXFFZTMASA-N 298.411 3.742 0 40 CHAB COc1cccc(CN[C@H](C)[C@@H](C)c2ccccc2)c1OC 80247740 RRJJZCOOJGQJRE-HUUCEWRRSA-N 299.414 3.986 0 40 CHAB FC(F)Oc1ccc(-c2csc(NC3CC3)n2)cc1 7274390 YIKJUYMKXUQVRR-UHFFFAOYSA-N 282.315 3.986 0 40 CHAB Cc1ncsc1CNc1nc2ccccc2s1 71213293 MZLOQVDXXFIYJR-UHFFFAOYSA-N 261.375 3.673 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCCCCC1 7781795 XNCYUWBPMNLQLB-AWEZNQCLSA-N 284.403 3.924 0 40 CHAB CCc1ccc(CNC(=O)c2ccccc2Cl)cc1 72331435 RXXKQYIHNZLMCJ-UHFFFAOYSA-N 273.763 3.832 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O 21986282 CBMYJHIOYJEBSB-YISWTCPOSA-N 292.463 3.751 0 40 CHAB endogenous,in-man CC[C@@H](NC(=S)Nc1ccc(C)cn1)c1ccccc1 33495519 LHYWOVQHPVBSRM-CQSZACIVSA-N 285.416 3.828 0 40 CHAB COc1ccc([C@H](NCc2cccnc2)C(C)C)cc1 32102291 CMZRPAFWHBYWIY-QGZVFWFLSA-N 270.376 3.577 0 40 CHAB CCCCSc1nnc(-c2ccccc2)n1CC 75322544 QFTHCDGRDVGXRD-UHFFFAOYSA-N 261.394 3.857 0 40 CHAB COc1ccc([C@H](O)c2ccccc2Br)cc1 39206764 WSGPNOCUUSZBHY-AWEZNQCLSA-N 293.160 3.539 0 40 CHAB COC(=O)c1c(CCCc2ccccc2)cccc1OC 35973512 IVTWBNKOUICEFL-UHFFFAOYSA-N 284.355 3.657 0 40 CHAB Cc1ccc(-c2ccc(CCC(=O)O)o2)cc1Cl 216923196 AYAUXMJUKQOWQL-UHFFFAOYSA-N 264.708 3.926 0 40 CHAB CCCCS(=O)(=O)c1ccc2nc(Cl)cc(C)c2c1 217429332 TZEKIZTZCQLPJJ-UHFFFAOYSA-N 297.807 3.770 0 40 CHAB Cc1ccnc(C(=O)c2cccc(C(F)(F)F)c2)c1 45028595 YKQGJBKIQWHQRN-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB COC(=O)CN1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223188168 KVOPYFBPHUQQCW-ZDUSSCGKSA-N 275.392 3.569 0 40 CHAB CC(=O)c1nc2ccccc2n1CCCOc1ccccc1 41058299 WYPWTZYUSHQJDM-UHFFFAOYSA-N 294.354 3.708 0 40 CHAB CCc1ccc(CC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 224896390 PXOXQHDMTYUOKH-CQSZACIVSA-N 297.398 3.678 0 40 CHAB COCc1cccc(NC(=O)Cc2ccc(C)c(C)c2)c1 224240213 IWYKDGYOLILXFR-UHFFFAOYSA-N 283.371 3.631 0 40 CHAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2C)cc1 224115272 INHQCRZNPCMJMU-CQSZACIVSA-N 283.371 3.803 0 40 CHAB Cc1cccc(O[C@H](Cc2ccc(Cl)cc2)C(=O)O)c1 225060708 AQNVHKVMDYXFSF-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB Cc1ccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225020850 IMWDUSALLIZHHN-GOSISDBHSA-N 298.382 3.995 0 40 CHAB Nc1cc(-n2ccc3c2CCCC3=O)cc(C(F)(F)F)c1 199730571 RTARLDDMNCJJDH-UHFFFAOYSA-N 294.276 3.597 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Cc2ccc(F)cc2)cc1 43747293 MIBIQAFETKLPTE-ZDUSSCGKSA-N 271.335 3.554 0 40 CHAB Cc1ccc(O[C@@H](Cc2cccc(C)c2C)C(=O)O)cc1 225022132 LENSZDHAAMFNIS-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB Clc1cc(CN2CCCC2)ccc1Br 90411229 ZDWVKCIIWFUASO-UHFFFAOYSA-N 274.589 3.698 0 40 CHAB Cc1ccc(CNC(=O)CCc2ccc(C)c(C)c2)cc1 96621686 LUJSJJFXCWXGSU-UHFFFAOYSA-N 281.399 3.861 0 40 CHAB Cc1cc(NC(=O)c2cccc3c2ccn3C(C)C)nn1C 95475492 VGLMNOKFDQAFFT-UHFFFAOYSA-N 296.374 3.516 0 40 CHAB CCc1ccc(CNc2cccnc2OC(C)C)o1 51724778 XIJYRRDKJLGUQD-UHFFFAOYSA-N 260.337 3.636 0 40 CHAB CCC(CC)[C@H]1C[C@@H](NC(=O)CC(C)C)[C@@H]2CCC[C@H]2O1 257293991 QRYWUIMBHCFHIV-YLFCFFPRSA-N 295.467 3.911 0 40 CHAB Cc1ccc(CN2C[C@@H](c3ccccc3)CC2=O)cc1 1888926501 VKKKMTWMPUDLAG-KRWDZBQOSA-N 265.356 3.511 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(F)c(F)c2)cc1C 5679777 SGACUIXVIRBEAU-UHFFFAOYSA-N 275.298 3.763 0 40 CHAB COC(=O)[C@]1(C)CC(c2ccccc2)=N[C@H]1c1ccccc1 5722032 GFIPTHSKIGKABL-PKOBYXMFSA-N 293.366 3.800 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NC2CCCCCC2)c1 13710526 SYAWJHNOGCLDTB-HNNXBMFYSA-N 289.419 3.910 0 40 CHAB CN(C)[P@@]1(=O)OC[C@@H](C(C)(C)C)CN1c1ccccc1 17108719 ZBODYXOCADRNMW-RNODOKPDSA-N 296.351 3.855 0 40 CHAB O[C@H](c1ccc(OCc2ccccc2)cc1)c1ccccn1 8627705 YOILQUBEESMTOS-LJQANCHMSA-N 291.350 3.742 0 40 CHAB Cc1csc2nc(-c3cccc(NC(=O)C4CC4)c3)cn12 5083644 QLBYDIURWIIGOL-UHFFFAOYSA-N 297.383 3.720 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)C1CCCC1 40467691 WPMOTJPMXLTOMO-CYBMUJFWSA-N 263.406 3.774 0 40 CHAB Cc1cc(C)c2nc(NC(=O)c3ccncc3)sc2c1 105889 NGPNXPFRBCMART-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB COc1cccc(Nc2nc(-c3ccncc3)cs2)c1 813411 ZYQYHCSRNCMCCR-UHFFFAOYSA-N 283.356 3.957 0 40 CHAB Cc1cc(C)c(S(=O)(=O)c2ccc(F)cc2)c(C)c1 1725404 HASSSSGDTKMFLN-UHFFFAOYSA-N 278.348 3.584 0 40 CHAB FC(F)(F)c1ccccc1N1C[C@@H]1c1ccncc1 4050172 LGXMMBXIRKQDMV-BSOCMFCZSA-N 264.250 3.662 0 40 CHAB C[C@H](NC(=O)c1ccc(F)cc1F)[C@H]1C[C@H]2CC[C@H]1C2 102189202 QHQBZSGMQZRVHL-AYGWYOGXSA-N 279.330 3.519 0 40 CHAB S=C(Nc1ccccc1)Nc1ccc(Cl)cn1 4854429 COMALOUJGNUXFH-UHFFFAOYSA-N 263.753 3.544 0 40 CHAB CC(C)CNCC(=O)Nc1ccc(Oc2ccccc2)cc1 8314111 LMCTUBBFJVOQTN-UHFFFAOYSA-N 298.386 3.663 0 40 CHAB CCCC(=O)Nc1cc(C(=O)c2ccccc2)ccc1OC 41365867 LBCOXGZTVCUIKI-UHFFFAOYSA-N 297.354 3.665 0 40 CHAB COc1ccc(C)cc1NC(=O)c1cc(F)ccc1C 9315302 BEDAHDXDFMNPDU-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB CCc1ccc(-c2csc3nc(C)cc(C)[n+]23)cc1 3012672 NHHKUBSMLAMKBC-UHFFFAOYSA-N 269.393 3.728 0 40 CHAB CN(C(=O)/C=C/c1ccc(F)cc1)c1ccccc1 1003833 DYKRIEDKKRXYTD-FMIVXFBMSA-N 255.292 3.502 0 40 CHAB Fc1ccc(-c2csc(/C=C/c3csnn3)n2)cc1 59269654 SABLVTCIFGWTRG-AATRIKPKSA-N 289.360 3.971 0 40 CHAB CC(=O)OC[C@]12COC(=C(C)C)[C@@H](C(C)=C[C@H]1C)[C@H]2C 100743135 XPUXDIZNNJHBTE-LGWLGOQQSA-N 278.392 3.708 0 40 CHAB CCCCCn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1772840 BFSRRHKRMULLLD-LLVKDONJSA-N 290.432 3.773 0 40 CHAB CCCCC(=O)Nc1nnc(C2CCCCC2)s1 3663930 WXNFZHOAUTUGPB-UHFFFAOYSA-N 267.398 3.715 0 40 CHAB Cc1cc(C(=O)c2ccc(Cl)cc2Cl)ccn1 45038599 SAMSDJFWZXDQGL-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB O=C(NCCC1=CCCCC1)c1cc(F)cc(F)c1 28210515 OLQGZMYZEJDBOJ-UHFFFAOYSA-N 265.303 3.585 0 40 CHAB COCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 12753448 APRHGKOBUMRDDR-UHFFFAOYSA-N 299.414 3.739 0 40 CHAB CCc1cc(N)cc2nc(-c3ccccc3F)oc12 62537807 GINRXSNFZIZADQ-UHFFFAOYSA-N 256.280 3.779 0 40 CHAB Cn1c([C@@H]2CC[C@@](C)(C(=O)O)C2(C)C)nc2ccccc21 6388276 ZDWSEERXYLZOGE-GTNSWQLSSA-N 286.375 3.568 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)C1CC1 14075956 MKXJNJKSFCGCDD-JTQLQIEISA-N 286.400 3.647 0 40 CHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC=CCC2)cc1Cl 14124269 PSKJEOLWQJWMPC-NSHDSACASA-N 292.766 3.593 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccccc2O)o1 14110847 KYKGYKJCXZAODC-DGCLKSJQSA-N 285.343 3.680 0 40 CHAB Cc1cc(OC[C@H]2CCCNC2)c(Cl)c(C)c1Cl 14631350 ZPCNFAPYQMLHOQ-NSHDSACASA-N 288.218 3.989 0 40 CHAB CC[C@H](C)NC(=O)Cc1sc(C)nc1-c1cccs1 15840047 MENSKRQOZOSXQN-VIFPVBQESA-N 294.445 3.637 0 40 CHAB Cc1cc([C@H](C)NC(=O)N(C)[C@@H](C)C2CC2)c(C)s1 84081823 XGKXEZOEELQYMO-QWRGUYRKSA-N 280.437 3.866 0 40 CHAB Cc1ccn(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)n1 97021477 LYZRCEQAUJVUOH-UHFFFAOYSA-N 287.750 3.857 0 40 CHAB C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1 95968123 AJWXTGBRHMKPDP-VOJFVSQTSA-N 287.856 3.538 0 40 CHAB CN(C)C(=O)c1cc2sc3ccccc3c2s1 21768786 UHWAROJAIXBXEV-UHFFFAOYSA-N 261.371 3.818 0 40 CHAB O=C(Cc1cccs1)c1cc(F)c(F)c(F)c1 53779460 QIXURQZOUKEMLL-UHFFFAOYSA-N 256.248 3.591 0 40 CHAB CCCN(CCC)c1cc(C)c(Br)cn1 42783500 TVSHQWJQTDYLPQ-UHFFFAOYSA-N 271.202 3.779 0 40 CHAB FC(F)Oc1nc(C(F)(F)F)ccc1-c1ccncc1 47218519 JGONLPYFVFZXPM-UHFFFAOYSA-N 290.191 3.764 0 40 CHAB COc1cc2c(cc1C(=O)O)[C@H](C)CC(C)(C)N2C(C)C 223779272 AUZCNDCYDMPEDO-LLVKDONJSA-N 291.391 3.894 0 40 CHAB CN(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccs3)C[C@@H]21 96058308 CAEWSVAAPWBPMF-BZSNNMDCSA-N 298.455 3.580 0 40 CHAB C[C@@H]1CC[C@@H]1COc1cccc(Br)c1 96526374 DHBMWRKKVRQTQA-NXEZZACHSA-N 255.155 3.874 0 40 CHAB Cc1ccc(C)c(C(=O)c2ccc(N(C)C)cc2)c1 95916831 ZOPFSBBUKQOKFI-UHFFFAOYSA-N 253.345 3.600 0 40 CHAB O=C(c1cccc(F)c1)N1CC[C@@H](c2cccs2)C1 826607657 HRTSDSRAYLVESE-GFCCVEGCSA-N 275.348 3.517 0 40 CHAB Cc1csc(SCc2cn3c(C)cccc3n2)n1 16362508 BLGTZXRTJOFFQU-UHFFFAOYSA-N 275.402 3.700 0 40 CHAB OCCCC[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@@H]21 4027136 SOMZBPWPSAMGPQ-NXOAAHMSSA-N 264.409 3.833 0 40 CHAB biogenic CSc1nc(C)cc(NCc2ccc(Cl)cc2)n1 12016428 XQFGDXQKKWPKPE-UHFFFAOYSA-N 279.796 3.772 0 40 CHAB Fc1cccc(Nc2ncnc(C3CC3)c2F)c1F 1888860138 JIYFZPKBYCNACC-UHFFFAOYSA-N 265.238 3.515 0 40 CHAB CCOc1ccc(-c2ccc(SCC)nn2)cc1 5107903 QMBDPLBHRBIGET-UHFFFAOYSA-N 260.362 3.654 0 40 CHAB CSc1ccc(C(=O)COc2ccccc2)cc1 35183888 ZQOCICDXFAAAGM-UHFFFAOYSA-N 258.342 3.670 0 40 CHAB Cc1n[nH]c(=S)n1C(c1ccccc1)c1ccccc1 37376844 JYQALGAWVFNVLH-UHFFFAOYSA-N 281.384 3.887 0 40 CHAB C[C@H](SCc1ccco1)c1nc2ccccc2c(=O)[nH]1 40456891 WZAXIQMKODCCDD-JTQLQIEISA-N 286.356 3.511 0 40 CHAB CCOc1cc2c(cc1[C@@H](C)c1ccccc1)OCO2 1581540 YJZXWEFOIAJZRY-LBPRGKRZSA-N 270.328 3.966 0 40 CHAB CCc1ccccc1N1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C 3097277 WJRPGDRTJITICN-SCLBCKFNSA-N 285.387 3.565 0 40 CHAB CCCCc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1 3152753 LCIXQYXJMFSXEH-UHFFFAOYSA-N 298.338 3.947 0 40 CHAB COc1cccc(-c2ccncc2Br)c1 3880926 VGWXEMORTNJIIG-UHFFFAOYSA-N 264.122 3.520 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 569581 ZHGYCXAQGUBZMU-UHFFFAOYSA-N 296.370 3.904 0 40 CHAB CCCC[C@H](CC)COC(=O)c1ccc(C(=O)OC)cc1 33605205 KHDNBLKBTBOSDJ-ZDUSSCGKSA-N 292.375 3.846 0 40 CHAB Cc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1F 103920087 ILEDRAKAQIQYJU-RWMBFGLXSA-N 261.340 3.899 0 40 CHAB CCc1cccc(CC)c1NS(=O)(=O)c1cccs1 813873 XWWRZSMCAFLKGE-UHFFFAOYSA-N 295.429 3.674 0 40 CHAB CCC[C@@H](C)c1c(O)nc(S[C@H](C)CC)n(CC)c1=O 23115573 ZECQTMNMLSFBRF-GHMZBOCLSA-N 298.452 3.763 0 40 CHAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(F)cc1 2889422 XPNSQZFQFBUNKA-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB Cc1ccc(-c2nnc(S)n2-c2ccc(F)cc2)cc1 1442631 DQCBEXZLMBAIAY-UHFFFAOYSA-N 285.347 3.671 0 40 CHAB Cc1ccc(C2=NN[C@@](C)(Cc3ccccc3)S2)cc1 59431943 OOPZXVAWQQUVLY-QGZVFWFLSA-N 282.412 3.952 0 40 CHAB CC(C)=CC(=O)OCC(=O)c1ccc(Cl)cc1Cl 3267880 YPDWXWWYBRWPON-UHFFFAOYSA-N 287.142 3.686 0 40 CHAB CCOc1ccccc1CNC(=O)CCc1ccc(C)cc1 20108756 FJIZYJBMXDUWNN-UHFFFAOYSA-N 297.398 3.643 0 40 CHAB C[C@@]1(NC(=O)NCC2CCCC2)CCCc2ccccc21 58265717 BJWFDRCFHPEJPR-GOSISDBHSA-N 286.419 3.728 0 40 CHAB COc1cccc(/C=C2\Sc3ccccc3NC2=O)c1 26894409 OZSPYIRTPAAIAJ-GDNBJRDFSA-N 283.352 3.781 0 40 CHAB CCCCNc1ncnc2c1[nH]c1ccc(Cl)cc12 2333569 UHKCGNNJIAQTQV-UHFFFAOYSA-N 274.755 3.977 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1nc2ccccc2s1 12971762 UJJWCTPVOCXRLA-SNVBAGLBSA-N 258.346 3.591 0 40 CHAB O=C(Nc1ccccc1)C1(c2ccc(F)cc2)CCC1 12926120 BQYHYPRRISKDNL-UHFFFAOYSA-N 269.319 3.886 0 40 CHAB OC1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 39392865 PTPIUVVGLSXHPY-YOFSQIOKSA-N 293.410 3.701 0 40 CHAB CC(C)(C)NC(=O)COc1ccc(Cl)c2ccccc12 6642947 JJRUGKDDQLVATF-UHFFFAOYSA-N 291.778 3.787 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1cc2c(s1)CCC2 6747055 XMDCKSRONUUBOG-AWEZNQCLSA-N 283.396 3.654 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CC=CCC1 7264060 ISJTXURYVWWHTO-GDBMZVCRSA-N 255.361 3.537 0 40 CHAB Cc1ccnc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 9316448 IBXFHLRWIBRZLL-STQMWFEESA-N 286.762 3.786 0 40 CHAB C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(F)cc1 9390256 LFRFXBBOKHKYSY-NSHDSACASA-N 276.311 3.562 0 40 CHAB CSc1ccc(C(=O)N(CC(C)C)C2CC2)cc1 84510936 UQGFNSIKLHGCEP-UHFFFAOYSA-N 263.406 3.669 0 40 CHAB COc1cccc(-c2noc([C@@H]3C[C@@H]3c3ccco3)n2)c1 89471389 BIFNTVXQFVRFNG-QWHCGFSZSA-N 282.299 3.609 0 40 CHAB Cc1cnc([C@H](N[C@@H](C)CC2CC2)C2CC2)s1 89702392 ZIJNHJWXOBVNAI-TVQRCGJNSA-N 250.411 3.681 0 40 CHAB COc1cccc(CO)c1OCc1ccc(F)cc1Cl 35413181 SSVNDGRJQRBZRD-UHFFFAOYSA-N 296.725 3.559 0 40 CHAB c1ccc(Cn2c(N3CCCC3)nc3ccccc32)cc1 30822779 VWYOHILVMQLLPB-UHFFFAOYSA-N 277.371 3.685 0 40 CHAB CC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 34224785 BPMGNFLSXGRZEM-AWEZNQCLSA-N 270.328 3.622 0 40 CHAB CCCN(c1cc(Cl)ccc1C)[C@@H](CC)C(=O)O 224992810 NSXPTXXKQIDWPM-LBPRGKRZSA-N 269.772 3.728 0 40 CHAB Clc1ccccc1Cc1nnc(NCc2ccco2)o1 195551397 KRHWLQLAMJRUTK-UHFFFAOYSA-N 289.722 3.519 0 40 CHAB CCC1(NC(=S)Nc2ccc(F)c(F)c2)CCCC1 225860723 HYBZCCSHPYVUGM-UHFFFAOYSA-N 284.375 3.974 0 40 CHAB Cc1cc(C)cc(O[C@H](Cc2cccc(C)c2C)C(=O)O)c1 225022753 TUTKRMYMPXPWJB-GOSISDBHSA-N 298.382 3.995 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COC(C)C 224712952 PPMAQNKOKUAGJW-ZDUSSCGKSA-N 293.407 3.539 0 40 CHAB CCOc1ccc(-c2cc3c(SCC)nccn3n2)cc1 48990946 CDRQWUDGIMWDGS-UHFFFAOYSA-N 299.399 3.907 0 40 CHAB O=C(NCCCc1ccccc1Cl)c1cccc(F)c1 224957178 ATRIQFKQBDODHR-UHFFFAOYSA-N 291.753 3.842 0 40 CHAB Cc1ccc(NC(=O)NCCCOc2ccccc2)c(C)c1 48354410 NEIDNWCNTQZOQD-UHFFFAOYSA-N 298.386 3.894 0 40 CHAB Cc1cc(C)cc(O[C@H](Cc2ccc(F)cc2)C(=O)O)c1 225053917 SFMOALHPCOTAQJ-MRXNPFEDSA-N 288.318 3.517 0 40 CHAB NC[C@H](c1ccc(F)cc1)c1c[nH]c2ccc(F)cc12 91690205 BFAVJEXIORIFMT-CQSZACIVSA-N 272.298 3.537 0 40 CHAB CC(=O)c1cccc(OC(F)(F)F)c1Br 95663785 VMJGIKMRJDKJMA-UHFFFAOYSA-N 283.043 3.550 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=S)Nc1ccc(F)cc1 251690011 HDVXYNKRVGGROH-UHIISALHSA-N 280.412 3.937 0 40 CHAB O=C(NCc1cccc2ccccc12)c1ccccc1 70283820 YZFRYPOYPCIDLE-UHFFFAOYSA-N 261.324 3.770 0 40 CHAB CC(C)(C)OC(=O)N1Cc2cccc(C3CC3)c2C1 200378058 JJINIXQTMCLQJG-UHFFFAOYSA-N 259.349 3.815 0 40 CHAB Nc1ccc(Cl)cc1[C@@](O)(/C=C/C1CC1)C(F)(F)F 200508511 QJPXOOZAWLPVFD-FYJFLYSWSA-N 291.700 3.638 0 40 CHAB in-vitro COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1F 16506154 RLMZSIGEVNPHFA-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB CC[C@@H]1C[C@@H]2[C@](C)(OC=C3CCCC[C@@H]3[C@@]2(C)C(=O)O)O1 1772591042 CBIDMVNWAPNTBS-NJNCZSALSA-N 294.391 3.713 0 40 CHAB CCc1ccc(O)c(NC(=O)c2ccccc2Cl)c1 5674298 KZQIYSVZUSPCDW-UHFFFAOYSA-N 275.735 3.860 0 40 CHAB Cc1ccc(N[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1C 12447959 CRTLJLUBCQPOPQ-KRWDZBQOSA-N 298.386 3.613 0 40 CHAB CCC(CC)NC(=S)Nc1ccc(F)c(Cl)c1 13823706 QPNLLPCHRPQCIX-UHFFFAOYSA-N 274.792 3.954 0 40 CHAB COc1ccc(NCc2ccc3c(c2)C[C@@H](C)O3)cc1 10299459 PQPHXXGTTZPHEF-GFCCVEGCSA-N 269.344 3.631 0 40 CHAB CC(C)c1ccc(Oc2ccc(C(=O)O)cn2)cc1 20081390 FTQVIBRGTHJGCY-UHFFFAOYSA-N 257.289 3.696 0 40 CHAB Cc1ccc(-c2noc(-c3cc(N)ccc3Cl)n2)cc1 37641940 MMEMYPREKCZGLG-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB c1ccc(-c2c[n+](-c3ccccc3)c3n2CCS3)cc1 18194810 OQMQLNPOJXQEDN-UHFFFAOYSA-N 279.388 3.538 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2c(C)oc(C)c2C)o1 32808907 WJTLMBKTDVJFCZ-JTQLQIEISA-N 261.321 3.597 0 40 CHAB Cc1ccccc1Nc1cc(=O)oc2ccccc12 100607052 GKBOZRCTVKHCJW-UHFFFAOYSA-N 251.285 3.845 0 40 CHAB Cc1cccc(C)c1OC(=O)COc1ccc(Cl)cc1 129519 OUYRZUKIKOAZSX-UHFFFAOYSA-N 290.746 3.941 0 40 CHAB COc1ccc(-c2csc(-c3cccnc3)n2)cc1 136469 RVCIJFKRRWVRHZ-UHFFFAOYSA-N 268.341 3.881 0 40 CHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CCCCC1 516357 UNPXQFWJMFBMRV-UHFFFAOYSA-N 295.382 3.745 0 40 CHAB O=C(c1cccs1)c1ccc2ccccc2c1C(=O)O 1600025 KHJKUDICESMHQA-UHFFFAOYSA-N 282.320 3.831 0 40 CHAB Cc1ccc(C)c2c1C[C@@H](Cc1ccccc1C(=O)O)C2=O 1647031 WXWMYJQXTKDZLM-CQSZACIVSA-N 294.350 3.599 0 40 CHAB CC(=O)S[C@H]1CCC[C@H](C[C@@H](C)SC(C)=O)C1 4934465 SCLSFVLZHYZIOT-WQAKAFBOSA-N 274.451 3.883 0 40 CHAB COc1cccc(NC(=S)Nc2ccc(C)c(F)c2)c1 6966841 CKEZUBCTSXDLNR-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB Cc1ccc(C)c(NC(=O)Cc2cccc(F)c2)c1 7599197 KMXUQZLQJVWCGR-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB Cc1ccc(-n2nc(C(F)(F)F)c(C=O)c2Cl)cc1 37326886 UCCFZQBFTASNPM-UHFFFAOYSA-N 288.656 3.665 0 40 CHAB O=C(O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 22175406 SKYTVXWEFWNEHT-UHFFFAOYSA-N 298.273 3.605 0 40 CHAB Cc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1 9421903 ILWJPNWKXNNRNU-UHFFFAOYSA-N 266.344 3.803 0 40 CHAB CC(C)COc1ccc(Br)cc1/C=C/C(=O)O 12394640 WZBMXUKRHCCMPP-ZZXKWVIFSA-N 299.164 3.582 0 40 CHAB C[C@@H](Cc1ccncc1)Nc1cc(Cl)c2cc[nH]c2n1 72156543 FBLCKRNSFJACKC-JTQLQIEISA-N 286.766 3.654 0 40 CHAB CCCCC[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 3190667 PKPCJUJOFNWTAA-UELRPHRMSA-N 275.392 3.793 0 40 CHAB Cc1noc(C)c1CN1CCC[C@@H]1c1cccc(F)c1 52455697 AOMZDZGAYNLUBI-MRXNPFEDSA-N 274.339 3.768 0 40 CHAB C(=C/CSc1ccccn1)\CSc1ccccn1 1573621 MDHLQNKEYWBKQU-AATRIKPKSA-N 274.414 3.917 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(F)cc1F)[C@H]1C[C@@H]2CC[C@@H]1C2 100795658 ZKRCVTUYFNGYLD-PRULPYPASA-N 294.345 3.911 0 40 CHAB CCCCCNC(=O)Cc1csc(-c2ccccc2)n1 7995624 NVSDAVMYQSDWAC-UHFFFAOYSA-N 288.416 3.659 0 40 CHAB CC[C@H]1CCCCN1CC(=O)c1ccc(Cl)s1 3306944 YEXVPVSIPDASRF-JTQLQIEISA-N 271.813 3.849 0 40 CHAB CC[C@@H]1CO[C@@H](Cn2c3ccccc3c3ccccc32)O1 2357058 OUEUSWBXKLGSDC-FZKQIMNGSA-N 281.355 3.946 0 40 CHAB Cc1cccc(C(=O)N[C@H](c2ccccc2)C2CC2)c1 11205868 BPXRHGCFVFXQKH-QGZVFWFLSA-N 265.356 3.876 0 40 CHAB COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1OC(F)F 12749131 XYAWZHLHJLTYPD-JTQLQIEISA-N 297.301 3.591 0 40 CHAB CC(=O)c1cc(CCC(=O)Nc2ccc(C)cc2C)oc1C 12817561 OWOARDUWRCTGHQ-UHFFFAOYSA-N 299.370 3.979 0 40 CHAB CC(C)C[C@H](NC(=O)c1ccoc1)c1ccccc1 12998508 PYPYYCIRLXBKTJ-HNNXBMFYSA-N 257.333 3.797 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1 4103708 MMHOORGJMMGYJY-OAHLLOKOSA-N 284.384 3.754 0 40 CHAB Cc1cc(S(=O)(=O)Nc2ccccc2)c(C)cc1Cl 17023901 QPQQTUAOPHDVFV-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB CC(=O)Oc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340689 YUTXAGLNLVIUIJ-UHFFFAOYSA-N 294.306 3.694 0 40 CHAB biogenic CSCc1ccc(C(=O)NCc2ccc(C)cc2)cc1 5578566 HZDPBDPCPIKYBQ-UHFFFAOYSA-N 285.412 3.788 0 40 CHAB CC(C)(C)c1ccc(Cn2ncc(=O)c3ccccc32)cc1 6852307 FNSVNXNWBKWXOU-UHFFFAOYSA-N 292.382 3.742 0 40 CHAB O=C(Nc1ccccc1)c1cnc2c(Cl)cccc2c1O 15108045 UIZMHYHOKPQVBY-UHFFFAOYSA-N 298.729 3.846 0 40 CHAB Fc1ccc(Br)c(CNc2cccnc2)c1 90188690 WMEPDOVJEYOLEK-UHFFFAOYSA-N 281.128 3.595 0 40 CHAB CCCCC(=O)NCc1csc(-c2ccc(C)cc2)n1 15832571 HFDXLWGRPCNQIB-UHFFFAOYSA-N 288.416 3.925 0 40 CHAB CC(=O)c1cccc(NC(=S)N[C@H]2CCCC[C@H]2C)c1 7528424 UGJWSICJEZICSU-ABAIWWIYSA-N 290.432 3.754 0 40 CHAB CCc1ccc2nc(C)c(CN3CCCCC3)c(O)c2c1 8714144 MLAFXHUQKPYEBO-UHFFFAOYSA-N 284.403 3.797 0 40 CHAB Cc1oc(-c2ccccc2)nc1CSC[C@H](C)CO 80615846 RNFJENPAQVZYCN-LLVKDONJSA-N 277.389 3.512 0 40 CHAB Cc1noc(C)c1-c1ccc(-c2csc(N)n2)s1 19853444 AQYNWHUMCLAPJC-UHFFFAOYSA-N 277.374 3.726 0 40 CHAB C[C@H]1CCCN(c2ccnc(CN3CCC[C@@H](C)C3)c2)C1 95446879 ZTKMJXOZSKARBH-CVEARBPZSA-N 287.451 3.550 0 40 CHAB Cc1cc(C)cc(NCC(=O)N(C)Cc2ccccc2C)c1 98071861 KLTACBHECVYNSH-UHFFFAOYSA-N 296.414 3.682 0 40 CHAB CC(C)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 88533555 NCQKMOMESDIADD-UHFFFAOYSA-N 295.448 3.754 0 40 CHAB Cc1nn(C(C)C)c(C)c1[C@H](C)NC[C@H]1CCCS1 95969259 NBHVALBJZYFCFB-SMDDNHRTSA-N 281.469 3.627 0 40 CHAB O=c1[nH]c(-c2ccco2)nc2sc(-c3ccccc3)cc12 60486230 VSKSDSRBOKSUNW-UHFFFAOYSA-N 294.335 3.912 0 40 CHAB COc1ccc([C@H]2C[C@@H]2C(=O)c2nc3ccccc3[nH]2)cc1 9913682 WWSLKYBYLDZCGQ-KGLIPLIRSA-N 292.338 3.558 0 40 CHAB Cc1ccccc1CNC(=O)N[C@@H](c1ccccc1)C1CC1 9935936 DBBOHIOFYYRORK-SFHVURJKSA-N 294.398 3.946 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CCC2)CCN1 306145927 WCSZPYZDNGOPIG-QGZVFWFLSA-N 288.391 3.559 0 40 CHAB O=C(Cc1ccccc1Cl)Nc1c(F)cccc1F 45829243 XWKUWUMYNDLRSE-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB Cc1noc(C)c1N(C)C(=O)c1ccccc1C(F)(F)F 80813363 BKIJUZXTLZXSAV-UHFFFAOYSA-N 298.264 3.587 0 40 CHAB COC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C 225639106 GWQQXYRRJYODRL-UHFFFAOYSA-N 297.354 3.651 0 40 CHAB Cc1ccc(C)c(CC(=O)NCCSC2CCCC2)c1 225769888 RIQNVTLDUREIJJ-UHFFFAOYSA-N 291.460 3.638 0 40 CHAB CCCN(c1cccc(Cl)c1Cl)[C@@H](C)C(=O)O 224993892 IYSQHVPKQLRTCA-QMMMGPOBSA-N 276.163 3.683 0 40 CHAB COc1ccccc1-n1cnc2cc(C)c(C)cc21 199728463 TUKDYGGOASOFEM-UHFFFAOYSA-N 252.317 3.651 0 40 CHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccco3)N21 222651319 CWHZFDJQDFZJAF-KCPJHIHWSA-N 299.399 3.654 0 40 CHAB CC[C@H](C)Oc1c(F)cc(F)cc1Br 95915368 ARUCORNPFZWTOM-LURJTMIESA-N 265.097 3.905 0 40 CHAB O=C(O)[C@@H]1CCCN(C(c2ccccc2)c2ccccc2)C1 140154506 DSGNBFPMVZOXDE-QGZVFWFLSA-N 295.382 3.573 0 40 CHAB COc1ccc(Cl)cc1C(=O)C(C)(C)CCl 382710738 YFFVYXDEWXIBSI-UHFFFAOYSA-N 261.148 3.796 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2Cl)c1 128625 WIBMYDJJJXMIEH-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CC[C@H](F)C2)CC1 710673396 HGHKFXGRVZKKDV-NSHDSACASA-N 257.349 3.526 0 40 CHAB CCOC(=O)c1cc(C(C)=O)ccc1OCc1ccccc1 5858072 XYYPNTNMOUPRLG-UHFFFAOYSA-N 298.338 3.645 0 40 CHAB CCc1ccccc1NC(=O)c1c(F)cccc1F 5616407 PKZGELMZJGWDKJ-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB CCN(C(=O)c1cnc2ccccc2n1)c1ccccc1C 12977656 CJFYZADGLNMRJJ-UHFFFAOYSA-N 291.354 3.605 0 40 CHAB Cc1ccc2[nH]c(=O)c(CN[C@@H](C)c3ccccc3)cc2c1 13998781 GBFWEBZFSUQTBA-AWEZNQCLSA-N 292.382 3.687 0 40 CHAB Cc1noc([C@H](C)Nc2ccc(Br)c(C)c2)n1 40059760 JFUNOYZBDVSHNA-QMMMGPOBSA-N 296.168 3.622 0 40 CHAB O=C(O)c1cc(-c2cccs2)nc2cc(F)ccc12 20080969 SZSDSQZBVCIIAV-UHFFFAOYSA-N 273.288 3.801 0 40 CHAB C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccn1 40159800 DTXAJMVTGJVCEP-LLVKDONJSA-N 286.400 3.513 0 40 CHAB CN(C(=O)/C=C/c1cccc(F)c1)c1c(F)cccc1F 40157906 SYSHLNVJNCJELT-CMDGGOBGSA-N 291.272 3.780 0 40 CHAB O=C(CC1CCCCC1)Nc1cccc2c1NCCC2 20251930 KWVIHVUISCTJHD-UHFFFAOYSA-N 272.392 3.954 0 40 CHAB in-vitro O=C(NCc1ccccc1)c1scc2c1CCCC2 90991 XZFOAFDEJMJURL-UHFFFAOYSA-N 271.385 3.557 0 40 CHAB O=C(c1ccccc1)c1ccccc1CN1CCCC1 2515541 FZFJMVBYUDMOEM-UHFFFAOYSA-N 265.356 3.513 0 40 CHAB CCCCCNC(=O)c1ccc(Cl)c(Cl)c1 1597743 CSROGYZTXCVMDO-UHFFFAOYSA-N 260.164 3.913 0 40 CHAB CCN(CC)c1ccnc(SCc2ccccc2)n1 1681354 MZBKDJPVKMBKLI-UHFFFAOYSA-N 273.405 3.615 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)CN1CCCCCC1)C2 4808430 SLDMLDVVHRLHBB-RLFYNMQTSA-N 293.451 3.620 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](C)SCc1ccccc1 6945493 MXQATGSBXVFYKO-CHWSQXEVSA-N 265.422 3.613 0 40 CHAB O=C(C[C@@H](c1ccccc1)c1ccco1)Nc1nccs1 509687 UNRHYHDZOFISEK-ZDUSSCGKSA-N 298.367 3.897 0 40 CHAB aggregator O=C(N/C=C/c1ccccc1)NCc1ccc(Cl)cc1 1388857 XKOIGPNWWVCRSB-ZHACJKMWSA-N 286.762 3.810 0 40 CHAB c1csc([C@@H]2NN=C3c4ccccc4CSC[C@H]32)c1 1406590 IMAXBRYGRNQHGC-IUODEOHRSA-N 286.425 3.660 0 40 CHAB COc1ccc(-c2nnc(-c3ccccc3F)o2)cc1 59475065 DOMRJIKIVGPQOE-UHFFFAOYSA-N 270.263 3.551 0 40 CHAB Cc1cc2c(cc1C)NC(=O)CC(c1cccs1)=N2 100853451 WQNDXTUMGOUAOV-UHFFFAOYSA-N 270.357 3.828 0 40 CHAB Cc1noc(C)c1NC(=O)c1csc(-c2ccccc2)n1 58343267 MWCKUQJANMDXLB-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB C[C@@H](NC(=O)NCc1cc2cc(F)ccc2s1)C1CC1 62641976 FBRBVSZARZTVFX-SECBINFHSA-N 292.379 3.638 0 40 CHAB C/C=C/C=C/C(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C 13012092 SIIVXUJRRFINEH-BSWSSELBSA-N 295.386 3.868 0 40 CHAB CN(C)c1ccc(/N=c2/sc3ccccc3n2C)cc1 13111637 CFYDYDSEOZWOKG-WUKNDPDISA-N 283.400 3.538 0 40 CHAB C[C@@](Cc1nc2ccccc2s1)(C(=O)O)c1ccccc1 4207430 CQYXWVCTRPQMKH-KRWDZBQOSA-N 297.379 3.881 0 40 CHAB Cc1ccc(-n2c(S)nnc2-c2ccccc2)cc1C 6184707 MOCHPIGMASMXLA-UHFFFAOYSA-N 281.384 3.840 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1Cc1cn2ccc(Cl)cc2n1 6382450 RVOOYRHXMVJKKP-VXGBXAGGSA-N 277.799 3.751 0 40 CHAB COc1ccc(Cl)cc1C(=O)Nc1cccnc1Cl 4454636 PBMHKQHZPJCSAT-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB CC(C)c1noc([C@H](C)N2CCC[C@H](C(F)(F)F)C2)n1 65564123 UPGXEIVQFSTFLM-UWVGGRQHSA-N 291.317 3.528 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1c(C)noc1C(C)C 7279498 VNGQWXGLDXSVGW-UHFFFAOYSA-N 276.311 3.806 0 40 CHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Oc1ccccc1 8937528 IYEZQWBJHKZOKM-UHFFFAOYSA-N 295.342 3.540 0 40 CHAB C[C@@H](NC(=O)c1ccco1)c1cc2ccccc2o1 9497559 PEPYMTIRSGDSER-SNVBAGLBSA-N 255.273 3.517 0 40 CHAB CC(=O)Nc1ccc(NC(=O)Nc2c(C)cccc2C)cc1 72282503 KYLMNLOJVIEDAF-UHFFFAOYSA-N 297.358 3.906 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 20458153 ONGRRYJKGBGYMS-UHFFFAOYSA-N 287.790 3.931 0 40 CHAB C[C@@H](c1ccccc1F)[S@](=O)Cc1cccc(F)c1 78556126 VANOBFVQWXGNFJ-WLRWDXFRSA-N 280.339 3.975 0 40 CHAB CC(=O)N1CCC[C@H](c2ccc(-c3ccc(F)cc3)cn2)C1 72365124 SFKUUILJMHCIFD-INIZCTEOSA-N 298.361 3.614 0 40 CHAB CC[C@@H](NC(=O)Cc1ccccc1)c1ccc(OC)cc1 20106392 MYPXONALZDFHME-QGZVFWFLSA-N 283.371 3.505 0 40 CHAB CCn1cc(Cl)c(C(=O)Nc2cccc3ccccc23)n1 32609959 GRHZBTMNJKQLGO-UHFFFAOYSA-N 299.761 3.962 0 40 CHAB COc1ccc(COc2ccc(C)cc2OC)cc1F 32957863 GVOGIYNMSHERFD-UHFFFAOYSA-N 276.307 3.730 0 40 CHAB NCC(c1ccccc1)(c1ccccc1)c1ccccc1 3846221 MAGGFBLIULYYPJ-UHFFFAOYSA-N 273.379 3.980 0 40 CHAB biogenic c1ccc(Nc2ncccc2C2=NCCCC2)cc1 72214149 PJIJGBOUANQOIM-UHFFFAOYSA-N 251.333 3.798 0 40 CHAB Cc1nc(C)c(C(=O)N2CC[C@@H](C)CC[C@@H]2C(C)C)o1 73793541 BSEWZPVIJZJTJI-SMDDNHRTSA-N 278.396 3.578 0 40 CHAB Cc1cc(NC(C)(C)C)ncc1[C@@H](O)c1ccccc1 72223975 DHILGEVGYFVLSZ-INIZCTEOSA-N 270.376 3.682 0 40 CHAB CCCC[C@H](NC)c1ccc(Br)cc1 35462431 LQUFRKDVBOIIBV-LBPRGKRZSA-N 256.187 3.900 0 40 CHAB CC(C)(C)OC(=O)Nc1cc(F)cc2ccc(C=O)nc12 72221185 LCNFFNZKTBTHST-UHFFFAOYSA-N 290.294 3.533 0 40 CHAB CC[C@H](NC(=O)/C=C/c1ccccc1OC)c1ccccc1 36562511 ZVZWACWYMZXSOY-CLVCIHKQSA-N 295.382 3.976 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 31389481 MSPCBPCVYURCET-NTZNESFSSA-N 286.400 3.616 0 40 CHAB Cc1cccc(CNC(=O)c2cc(F)ccc2Cl)c1 72331809 GYLBZTFKXBBCBZ-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB CCCN(CC(=O)O)c1ccccc1Oc1ccccc1 225006708 AYKJBHRZVDSAGF-UHFFFAOYSA-N 285.343 3.780 0 40 CHAB CCc1ccc(C(=O)Oc2c(C)cc(C=O)cc2C)cc1 225676378 PGZCVVOEEMSPKV-UHFFFAOYSA-N 282.339 3.898 0 40 CHAB CCCCc1nn2c(-c3cc4ccccc4o3)nnc2s1 96194060 XJXZAUGKNQFKQI-UHFFFAOYSA-N 298.371 3.942 0 40 CHAB CCCOc1c(C(=O)O)sc(Cl)c1Cl 96511022 JNMLIGYBZRYDNR-UHFFFAOYSA-N 255.122 3.542 0 40 CHAB C[C@@H](NC(=O)C1CCC1)C12CC3CC(CC(C3)C1)C2 5444006 ZCOGAFNKOIJXAS-SFCYXTAJSA-N 261.409 3.508 0 40 CHAB CCN(Cc1ccncc1)Cc1ccc(SC)cc1 6026433 AFACLIYIKSHPAI-UHFFFAOYSA-N 272.417 3.826 0 40 CHAB C[C@H](CCNC1c2ccccc2-c2ccccc21)[S@@](C)=O 166254323 NFCZDHZGDPELJN-ASSNKEHSSA-N 299.439 3.503 0 40 CHAB CO[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1Cl 121847565 MHPXTXOHBIUXLM-SWLSCSKDSA-N 293.794 3.500 0 40 CHAB Cn1ccnc1SCc1coc(-c2ccc(F)cc2)n1 25396383 XVAXFLFLBDGLMQ-UHFFFAOYSA-N 289.335 3.507 0 40 CHAB Nc1cc(-c2nc(-c3ccccc3)no2)ccc1Cl 21009077 XOVNOQYKWSBAOV-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)c2ccccc2)cc1 31694725 JYOFTBLIIXTAQN-GFCCVEGCSA-N 271.385 3.900 0 40 CHAB Cc1csc(C(=O)Nc2ccc(-c3ccncc3)nc2)c1 585149403 YIMJJGOTQBCJKU-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CC(C)(C)c1csc(COc2cccc(C(=O)O)c2)n1 11566531 GVPSPEDBRZFRFS-UHFFFAOYSA-N 291.372 3.718 0 40 CHAB Cc1cccc(C(=O)c2ccc(CN3CC=CC3)cc2)c1 2514880 GKDSDJWVKDURHR-UHFFFAOYSA-N 277.367 3.598 0 40 CHAB COc1ncnc(-c2ccccc2)c1-c1ccccc1 343639 IBIGWFKKFUCUSC-UHFFFAOYSA-N 262.312 3.819 0 40 CHAB Cc1ccc(C)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1 514742 JJQGJRQWHNRKHO-UHFFFAOYSA-N 283.415 3.858 0 40 CHAB C[C@H](NC(=O)c1cc(Cl)ccc1O)c1cccs1 21905703 MAVJKBHXOOESKA-QMMMGPOBSA-N 281.764 3.598 0 40 CHAB C[C@H]1C[C@H](C)CN(c2ncnc3c2[nH]c2ccccc23)C1 521463 BAGPADIMSAEOGA-RYUDHWBXSA-N 280.375 3.593 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 103294837 GVIATXQHBRZLRV-QBYUYEEZSA-N 271.404 3.858 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)NCCc1cccc(Cl)c1 9868462 RJNWKCZGDGKVTB-SWLSCSKDSA-N 294.826 3.760 0 40 CHAB Cc1ccc2nc(-c3ccc(NC(=O)C(C)C)cc3)cn2c1 24002960 MXDAWCPOKMMNDH-UHFFFAOYSA-N 293.370 3.904 0 40 CHAB Clc1cccc(Cl)c1COC[C@@H]1CCCNC1 28521994 SEHFRHBSVAZJOJ-SNVBAGLBSA-N 274.191 3.510 0 40 CHAB O=C(NC1CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 43646027 FFWRBHAIYJTHQK-GOSISDBHSA-N 292.382 3.506 0 40 CHAB COc1ccc(N/C=C2\SC(=O)c3ccccc32)cc1 100363680 RMPFGTFUIRUOAO-GDNBJRDFSA-N 283.352 3.993 0 40 CHAB CC(C)[C@H](NC1CCCC1)c1ccc2c(c1)OCCO2 8401970 AYHGYGJGAVPTSF-KRWDZBQOSA-N 275.392 3.687 0 40 CHAB Cc1ccc(CN(C)C(=O)c2cc(C)ccc2O)c(C)c1 12772646 PKKCFMCDBZWPSM-UHFFFAOYSA-N 283.371 3.590 0 40 CHAB CCONC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 48345845 NCGPYHQEJYFQQZ-SSDOTTSWSA-N 294.203 3.542 0 40 CHAB C[C@H]1CCCCN1CC(=O)Nc1ccc2ccccc2c1 3583645 PPDZGUSTWMPKCN-AWEZNQCLSA-N 282.387 3.653 0 40 CHAB O=Cc1ccc(-c2ncccc2C(F)(F)F)cc1 14007841 NBWILOUASOAOPH-UHFFFAOYSA-N 251.207 3.580 0 40 CHAB Cc1ccc(-c2cc(NC(=O)CC(C)C)on2)cc1 5451091 FJFHEPVUCUVPSV-UHFFFAOYSA-N 258.321 3.635 0 40 CHAB Sc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1 6508569 XKHXUWHQZMDVCW-UHFFFAOYSA-N 292.367 3.704 0 40 CHAB CCC[C@@H](C)NC(=O)COc1cccc2ccccc12 4666494 DSHNCMPKJSYQON-CYBMUJFWSA-N 271.360 3.523 0 40 CHAB CCOc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC 4681106 WQQABYPVYMALDO-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1C 4679703 JNBDLCWXGZEHIL-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1ccc(NC(=O)N/C=C/c2ccco2)c(C)c1 5538584 HXTRZUMTUWPKFW-BQYQJAHWSA-N 256.305 3.689 0 40 CHAB Cc1ccc(C(=O)N2CCc3cc4ccccc4nc32)cc1 15841743 RIFPFCDIRBJSHE-UHFFFAOYSA-N 288.350 3.746 0 40 CHAB CC(C)[C@@H](C)NC(=O)C1(c2ccc(Cl)cc2)CC1 69675194 HUJPEQSQUWYTAI-LLVKDONJSA-N 265.784 3.532 0 40 CHAB CSc1ccc([C@@H](C)NCc2ccco2)cc1F 97016373 PZQHPNQEXKSLMY-SNVBAGLBSA-N 265.353 3.991 0 40 CHAB c1csc(-c2nc(CSc3nncs3)co2)c1 84444974 YTCATELIPLMKNW-UHFFFAOYSA-N 281.387 3.547 0 40 CHAB CC(C)c1ccc(NC(=O)NCCc2cscn2)cc1 84625143 ANJTXTFABYJCCZ-UHFFFAOYSA-N 289.404 3.631 0 40 CHAB CC(C)(C)N(Cc1ccccc1)Cc1ccc(C(N)=O)cc1 95416505 BLMPJVSNARHEEK-UHFFFAOYSA-N 296.414 3.586 0 40 CHAB Cc1c(Cl)cccc1NCc1nc2n(n1)CCCCC2 28527603 MJFJWHXRUJSCNR-UHFFFAOYSA-N 290.798 3.578 0 40 CHAB CCCN1CCCC[C@@H]1c1cnc(Cl)c(C)c1 72217798 ZNHOHOOQWOUIOO-CYBMUJFWSA-N 252.789 3.980 0 40 CHAB C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(F)cc1 78556236 VITAQECVULGQBJ-WLRWDXFRSA-N 280.339 3.975 0 40 CHAB CCCN1CCC[C@H]1c1ccc(NC2CCCC2)nc1 72213960 MUZGPACWTJGUJA-INIZCTEOSA-N 273.424 3.983 0 40 CHAB Cc1cc(Nc2ccc(Oc3ccccc3)cc2)nc(N)n1 38316355 WJMQRNLCNFCILM-UHFFFAOYSA-N 292.342 3.903 0 40 CHAB O=C(c1cccs1)C1(Br)CCCC1 33637184 ZUMUBEYQNBPOND-UHFFFAOYSA-N 259.168 3.639 0 40 CHAB in-vitro O=C(CSCc1cccc(F)c1)Nc1ccc(F)cc1 75320179 RVQNRNMCVVYQKN-UHFFFAOYSA-N 293.338 3.837 0 40 CHAB Clc1cc(-c2ccccc2)ccc1OC[C@@H]1CCNC1 42770763 PIUSXJQWXHFWLY-CYBMUJFWSA-N 287.790 3.995 0 40 CHAB Cc1cc(-n2ccnc2)ccc1CSC1=NCCS1 194518218 SPZHUAGASKRDSY-UHFFFAOYSA-N 289.429 3.517 0 40 CHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)c1cc(Cl)cc(Cl)c1 95634178 KNWDHWYRCHLYCK-RYUDHWBXSA-N 299.153 3.843 0 40 CHAB C[C@@H](Sc1ncn[nH]1)c1cccc2ccccc12 48987421 QSFFAXNYZKCBRA-SNVBAGLBSA-N 255.346 3.811 0 40 CHAB Cc1ccc([C@H](C)NC(=O)/C=C/c2csc(C)n2)s1 48974239 HTFNCMFVYODNJZ-STUBTGCMSA-N 292.429 3.712 0 40 CHAB Cc1ccc(NC(=O)c2oc3ccccc3c2C)nc1 12523074 ZGUGKFSCLHUHDE-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB COc1cc(CN(C)[C@@H](C)c2ccco2)c(Cl)cc1O 13568971 LIHBLAPREXWPIE-JTQLQIEISA-N 295.766 3.840 0 40 CHAB C[C@H]1CS[C@@H](C=Cc2ccccc2[N+](=O)[O-])S1 3845019 FSFJFWRVPPIIFR-JOYOIKCWSA-N 267.375 3.803 0 40 CHAB biogenic CC(C)Oc1ccc(CNc2cccc(C(=O)O)c2)cc1 35018459 GRNOFSXLUBGDKX-UHFFFAOYSA-N 285.343 3.784 0 40 CHAB Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCCC1 16206100 YZJFNJNUXVIWBF-UHFFFAOYSA-N 280.371 3.729 0 40 CHAB C1=CC[C@H](CNC2CCN(Cc3ccccc3)CC2)CC1 20088933 JRENNQJESVDKSH-KRWDZBQOSA-N 284.447 3.597 0 40 CHAB CC(=O)Nc1cccc([C@H](C)NCc2ccccc2F)c1 20187631 OAUKGJJFUZMVFQ-LBPRGKRZSA-N 286.350 3.635 0 40 CHAB Clc1nccc(Oc2ccc(Br)cc2)n1 40448042 CJTRBYSTEUXIEL-UHFFFAOYSA-N 285.528 3.685 0 40 CHAB Cn1ncc2c(C(F)(F)F)cc(-c3ccccc3)nc21 20604867 JRNIMXLHKJWSAW-UHFFFAOYSA-N 277.249 3.654 0 40 CHAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2F)cc1C 11613859 XGLXCQKRHGMTEI-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Fc1ccc(CC2CCN(Cc3cccnc3)CC2)cc1 20783717 MNFBDEYOWQOIET-UHFFFAOYSA-N 284.378 3.675 0 40 CHAB CCC(=O)O[C@@H](C)COc1ccc([C@H](C)CC)cc1 1583904 CFRSYUAGQLXQKM-OLZOCXBDSA-N 264.365 3.921 0 40 CHAB C[C@H](C[C@@H](C)C(=O)Nc1ccccc1C(C)(C)C)C(=O)O 345911 WKPLLVBUQQDINJ-VXGBXAGGSA-N 291.391 3.670 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2O)C1(C)C 32895962 SZLXBXCNHZAWNQ-BXUZGUMPSA-N 259.349 3.569 0 40 CHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)cc1 32819428 VCGFGWGKLKFVIE-RDJZCZTQSA-N 285.387 3.715 0 40 CHAB CC[C@@H](NC(C)C)c1cccc(Br)c1 37186266 UXRSSSHWGNWZPN-GFCCVEGCSA-N 256.187 3.898 0 40 CHAB O=C(Nc1cccnc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102754946 RQAGNGVUBNNIRG-CPWXYTRJSA-N 290.794 3.598 0 40 CHAB C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CCC2=O)CC(=O)CC4 21992660 RORYLAUXKSWMQL-CVYDXHPNSA-N 272.388 3.841 0 40 CHAB O=C(C1CCCC1)N1CCC[C@@H]1c1ccc(F)cc1 55531813 OHLMSJSATGLRGU-OAHLLOKOSA-N 261.340 3.679 0 40 CHAB CC(=O)n1nccc1[C@@H](C)Oc1ccc(Cl)cc1Cl 1402532 UWNJDKMIBYZXJD-MRVPVSSYSA-N 299.157 3.990 0 40 CHAB COc1ccc([C@H]2CN(c3ccccc3)C[C@@H]2C(C)=O)cc1 1402575 YHIGONDGSZFBNC-RTBURBONSA-N 295.382 3.504 0 40 CHAB O=C(NCc1ccc(Cl)s1)c1cc(F)cc(F)c1 25519924 YRKUUPICMZULDK-UHFFFAOYSA-N 287.718 3.610 0 40 CHAB O=C(Nc1cnc2ccccc2c1)c1ccccc1F 1514100 NSKASKFIAQYMGT-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB N#C/C(=N\Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1 108242396 UNUYWXDMHAHCIZ-KGENOOAVSA-N 295.733 3.556 0 40 CHAB Cc1ccccc1[C@H]1CCCN1CCc1ccncc1 48234282 KUFATXDEUFOYPC-GOSISDBHSA-N 266.388 3.770 0 40 CHAB CSCc1nnc(SCCCc2ccccc2)o1 58634987 YERVTJKGWFNYMQ-UHFFFAOYSA-N 280.418 3.658 0 40 CHAB Cc1ccc2c(CN3CCCC[C@H]3C)cc(=O)oc2c1C 2355060 MEUUBMIEFPFTSQ-CYBMUJFWSA-N 285.387 3.784 0 40 CHAB CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccsc1 48366414 SIFKMPUUYFRSRV-ZDUSSCGKSA-N 292.791 3.988 0 40 CHAB Cc1noc([C@@H](C)Sc2nc3ccccc3s2)n1 12876395 KTSGUTVVNGJQBQ-SSDOTTSWSA-N 277.374 3.841 0 40 CHAB O=C(NC1CCCC1)c1cc(F)c(Cl)cc1Cl 13022600 YFPFEWIKAJXSLA-UHFFFAOYSA-N 276.138 3.805 0 40 CHAB C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1 62999141 FOPWRQRGJLMNGK-MLGOLLRUSA-N 275.779 3.724 0 40 CHAB Cc1coc2c(C)c3o/c(=N/O)c4c(c3cc12)CCCC4 13628854 UKNZPTNYJULQMZ-ISLYRVAYSA-N 283.327 3.965 0 40 CHAB Cc1ccc(-n2c(=S)[nH]c3ccc(C)cc3c2=O)cc1 6488017 XJACKVVGADGHEH-UHFFFAOYSA-N 282.368 3.665 0 40 CHAB CCCC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2)cc1 4681719 QVSWKLLAIXUGGH-UHFFFAOYSA-N 296.370 3.986 0 40 CHAB CCC[C@H](C)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5753648 WALXKQHXVUHGFO-IHWZXDPASA-N 292.419 3.751 0 40 CHAB COc1ccc(C(C)=O)cc1CN(C)Cc1ccccc1 5752729 WWBHXCCOJSZOLQ-UHFFFAOYSA-N 283.371 3.530 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)CCCc2c[nH]c3ccccc23)C1 6945777 HYVOLOYCDLSLJR-GASCZTMLSA-N 298.430 3.995 0 40 CHAB C[C@@H](Sc1ccccn1)C(=O)c1c[nH]c2ccccc12 7180728 UNBBQLCMCVZMEA-LLVKDONJSA-N 282.368 3.926 0 40 CHAB CCc1ccc(NC(=O)[C@H](C)Nc2ccccc2)cc1 7222366 NXUSDYGULSSJSW-ZDUSSCGKSA-N 268.360 3.688 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(Cl)cc1F 8075645 OWCDKRXJIBUGCM-SECBINFHSA-N 253.704 3.774 0 40 CHAB O=C(NC1CCCCCC1)c1cc2ccccc2[nH]1 8133527 OLFAPAJMZYEWPL-UHFFFAOYSA-N 256.349 3.621 0 40 CHAB CCc1cc(N)cc2nc(-c3cccc(F)c3)oc12 62537803 WWELVWGNSUNWLP-UHFFFAOYSA-N 256.280 3.779 0 40 CHAB CSc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)o1 95395636 LKLODWKOAUBEFQ-UHFFFAOYSA-N 299.355 3.644 0 40 CHAB CSc1ccc([C@@H](C)NCc2cscn2)cc1F 95967547 LVUJSHIRRKNHPU-SECBINFHSA-N 282.409 3.855 0 40 CHAB COc1cccc([C@H](NC(=O)CC(C)C)C(C)(C)C)c1 75093856 XGFVLCRVLSLACC-INIZCTEOSA-N 277.408 3.945 0 40 CHAB S=C(Nc1ccccc1)Nc1ccc2conc2c1 409197368 CXDKNVITCHEZHT-UHFFFAOYSA-N 269.329 3.637 0 40 CHAB CCCCSc1nnc(-c2ccncc2)n1CC(C)C 409094585 FCIPZHFJTPHDFQ-UHFFFAOYSA-N 290.436 3.888 0 40 CHAB Cc1ccc(CC(=O)NCCCc2cccc(C)c2)cc1 216435246 IRBYBOANLDMIEM-UHFFFAOYSA-N 281.399 3.595 0 40 CHAB Cc1cc(C)c2nc(-c3ccc(C)c(N)c3)[nH]c2c1 70462792 GSTUHJIJXCBGOJ-UHFFFAOYSA-N 251.333 3.737 0 40 CHAB Fc1cccc(CN=c2[nH]c3cc(Cl)ccc3o2)c1 534882307 WYHJTSZRFLQEIO-UHFFFAOYSA-N 276.698 3.654 0 40 CHAB CCc1ccc(C(=O)Oc2c(C)cc(CO)cc2C)cc1 216727766 UQFLVYHCNNLVGS-UHFFFAOYSA-N 284.355 3.577 0 40 CHAB Nc1[nH]nc(C2CC2)c1-c1ccc(Cl)cc1Cl 36935831 MDQLYHZISKBHAG-UHFFFAOYSA-N 268.147 3.843 0 40 CHAB Cc1cccnc1[C@@H](NC(=O)Cc1cccs1)C(C)C 79358250 HJGNSEDUKVMHGS-HNNXBMFYSA-N 288.416 3.508 0 40 CHAB CC(C)(C)C[C@@H](O)c1ccc(Br)cc1 40243310 VMEIUKZONFDIJY-LLVKDONJSA-N 257.171 3.919 0 40 CHAB Cc1cc(C)c(C[C@H](OCc2ccccc2)C(=O)O)c(C)c1 225138091 XLUDMXWDPVQCFF-SFHVURJKSA-N 298.382 3.824 0 40 CHAB O=C(COc1cccc2c1CCCC2)Nc1cccc(F)c1 222556220 RRAMJAJMPNLCRF-UHFFFAOYSA-N 299.345 3.722 0 40 CHAB Cc1cccc([C@H](O)CN[C@@H]2CCCNc3ccccc32)c1 193027370 URJHURDWQYJVKV-RTBURBONSA-N 296.414 3.565 0 40 CHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)C(C)C 225216320 PJWFVAAIJROPLV-KGLIPLIRSA-N 277.408 3.738 0 40 CHAB COc1ccc2c(C)cc(C)nc2c1Br 85385469 PIECJBRMDVSIRC-UHFFFAOYSA-N 266.138 3.623 0 40 CHAB Cc1nc2c(-c3cccc(Cl)c3)cnn2c(O)c1Cl 143375271 HPVSCEZYHAOCAM-UHFFFAOYSA-N 294.141 3.717 0 40 CHAB CCCN(C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 96447390 ZNSPGDLDWZZDOF-AWEZNQCLSA-N 297.402 3.861 0 40 CHAB NC1(c2ccc3ccc(Br)cc3c2)CC1 258425862 GNDZWPGITKRTDZ-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB CNC1CCC(Cc2cccc(Nc3ccccn3)n2)CC1 257224536 FCFFJAVIOWKNIS-UHFFFAOYSA-N 296.418 3.541 0 40 CHAB C[C@@H](Cl)C(=O)c1cccc(F)c1C(F)(F)F 390243796 PNDSADFPAPDHBP-RXMQYKEDSA-N 254.610 3.655 0 40 CHAB CC(C)C[C@@H](NC(=O)c1ccccn1)c1ccccc1 13005780 XOZJMJXDUXORDT-MRXNPFEDSA-N 268.360 3.599 0 40 CHAB Cc1nccn1C[C@@H](C)COc1ccc(F)cc1Cl 95455655 GQDLOQWHMXEIJA-SNVBAGLBSA-N 282.746 3.699 0 40 CHAB O=Cc1cc2c(Br)ccc(F)c2s1 307713499 BVQGYWOGEDHCFT-UHFFFAOYSA-N 259.099 3.615 0 40 CHAB Nc1nc(-c2ccccn2)cc2cc(Cl)ccc12 31794430 JJFKKEFJNYLRSG-UHFFFAOYSA-N 255.708 3.532 0 40 CHAB C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]23OC(=O)C[C@]13C 5533764 NPYXMBXYLOPZQU-OJDYBEQGSA-N 250.382 3.935 0 40 CHAB C[n+]1cccc([C@@H]2O[C@@H]3CCCC[C@@H]3C3=CCCC[C@H]32)c1 12655905 RSUINDYISXUKNH-MKXGPGLRSA-N 284.423 3.868 0 40 CHAB biogenic Cc1ccc(Cl)c(NC(=S)NCc2cccnc2)c1 13283788 ZRVXZTRYIIIXAI-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1ccccc1 13673039 BTUADQYZJMXJCN-CQSZACIVSA-N 265.356 3.597 0 40 CHAB O=C(NCCSC1CCCCC1)C1CCCCC1 13716919 LDHAGKGSEGXYRC-UHFFFAOYSA-N 269.454 3.749 0 40 CHAB CCc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 16237558 ARJPJMAJTBEQAE-GZBFAFLISA-N 274.433 3.724 0 40 CHAB Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 18181296 ZKYQCTMFRSJNOE-OAHLLOKOSA-N 287.338 3.533 0 40 CHAB O=C(O)/C(=C/c1ccccc1)Sc1ccccc1 1712099 AYMHHNZJRYMOPW-KAMYIIQDSA-N 256.326 3.904 0 40 CHAB O=C(Nc1ccccc1)c1cc(Cl)cnc1Cl 166838 RUOMZXMBJGMSIM-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 6790495 WFUQSXACLKUXKF-UHFFFAOYSA-N 273.719 3.795 0 40 CHAB CC(C)(C)c1cc(N)n(-c2cccc(Br)c2)n1 2527282 HWIOMBXSAUXKSK-UHFFFAOYSA-N 294.196 3.515 0 40 CHAB CC(C)C(=O)c1ccccc1OC(F)(F)C(F)F 575242748 GFCCTMDAAPCCCY-UHFFFAOYSA-N 264.218 3.762 0 40 CHAB O=C(c1cc2cc(F)ccc2s1)N1Cc2cccnc2C1 582408929 UGHLVIUIJXNKEZ-UHFFFAOYSA-N 298.342 3.591 0 40 CHAB O=C(O)Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1 6224700 UGYDHONIIMDNCZ-UHFFFAOYSA-N 288.155 3.744 0 40 CHAB COc1ccc2[nH]c([C@@H](O)c3ccc(C)cc3)c(C)c2c1 72434034 TXMGOMUIROZCSV-SFHVURJKSA-N 281.355 3.875 0 40 CHAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccccc2)C1 4546262 VBARFZRVWLOROJ-RHSMWYFYSA-N 257.377 3.727 0 40 CHAB Nc1nc2c(s1)[C@@H](c1cccc(Cl)c1)CC(O)=N2 32092147 JKDBHMJRGHBENV-MRVPVSSYSA-N 279.752 3.502 0 40 CHAB CCc1nnc2c3cc(-c4ccccc4)sc3ncn12 91902 ZNGLIDCZDOADHK-UHFFFAOYSA-N 280.356 3.568 0 40 CHAB Cc1cccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)c1 505951 IVKZQZOCTXYSQL-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 568772 VOHIYJJUKAUCCU-UHFFFAOYSA-N 289.806 3.895 0 40 CHAB CCC[C@H]1O[C@@H](c2ccc(OC)cc2)OC[C@@H]1CC 1874409 VBKDECKJNITBRB-MAZHCROVSA-N 264.365 3.936 0 40 CHAB CC(=O)Nc1cc(OC(C)C)c(Cl)cc1Cl 2583684 QPJSUIGXIBEQAC-UHFFFAOYSA-N 262.136 3.739 0 40 CHAB Cc1cccc(SCc2nc3ccccc3c(C)[n+]2[O-])c1 4744235 ZBDZTMFSGSQQIB-UHFFFAOYSA-N 296.395 3.777 0 40 CHAB Cc1cc(NCC2CC2)n2nc(-c3ccc(F)cc3)cc2n1 4966820 VPGALWWGLMCLJY-UHFFFAOYSA-N 296.349 3.666 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 6472629 QADHLRWLCPCEKT-QAZMUZRASA-N 290.447 3.671 0 40 CHAB in-man CCC[C@@H](C)NC(=S)Nc1ccc(Cl)cc1 7520972 FKHIHOJEPDPDPC-SECBINFHSA-N 256.802 3.815 0 40 CHAB O=C(Nc1ccc(SC(F)F)cc1)N1CCCC1 43119425 JLYKCTRTVCJTPQ-UHFFFAOYSA-N 272.320 3.629 0 40 CHAB COc1ccccc1OCc1nc2ccccc2s1 3279988 BZADLXPTZDLTQM-UHFFFAOYSA-N 271.341 3.884 0 40 CHAB C(=C/c1nn2c(-c3ccccc3)nnc2s1)\c1ccco1 45208950 VFNYPCFCYTWFBV-CMDGGOBGSA-N 294.339 3.616 0 40 CHAB Cc1cccc(C(=O)NCc2coc(-c3cccs3)n2)c1 12789887 BQWNROURHOOVES-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc2cn[nH]c12 45395241 WJLKRFKOCOEQQJ-NSHDSACASA-N 297.333 3.535 0 40 CHAB COCc1ccccc1NC(=O)N(C)[C@H](C)CC(C)C 69415430 HSJIGFWTVPPBNC-CYBMUJFWSA-N 278.396 3.731 0 40 CHAB CCCC(CCC)C(=O)Nc1ccc(C(=O)OC)cc1 17173090 IVJIEUSXMVXQOZ-UHFFFAOYSA-N 277.364 3.628 0 40 CHAB COc1ccc(OC)c(C(=O)Nc2c(C)cccc2C)c1 12932136 KDGATPBTIKTCPE-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB CCC[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12936128 OPJFBAMOGOSARR-LBPRGKRZSA-N 284.403 3.965 0 40 CHAB CSc1cccc(NC(=O)NCCc2ccccc2)c1 13320109 PZHFLVKXEVQKDX-UHFFFAOYSA-N 286.400 3.773 0 40 CHAB COc1ccc(CNCCC2=CCCCC2)cc1OC 13723428 MNPOINSLQYFSMJ-UHFFFAOYSA-N 275.392 3.684 0 40 CHAB CC(C)c1n[nH]c(SCc2ccccc2OC(F)F)n1 14094736 ZJEZNBCTKMNMHN-UHFFFAOYSA-N 299.346 3.822 0 40 CHAB Fc1ccc(-c2noc(-c3ccc[nH]c3=S)n2)cc1 67172459 RCDSEBGBBOPTPD-UHFFFAOYSA-N 273.292 3.600 0 40 CHAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)NC(C)(C)C 9114769 QBPQBFHXJCYZGW-LLVKDONJSA-N 288.416 3.630 0 40 CHAB C[C@@H](OC(=O)c1cccs1)C(=O)c1c[nH]c2ccccc12 7533447 ZEIIJBYSKONTHA-SNVBAGLBSA-N 299.351 3.658 0 40 CHAB Cc1ccc(C)c(NC(=O)CC2(C(=O)O)CCCCC2)c1 8987276 QYPUDRSCMFNVES-UHFFFAOYSA-N 289.375 3.667 0 40 CHAB Cc1c(Cl)cccc1NC(=O)[C@H]1Cc2ccccc2O1 7947344 PUKAGBOOACMWKM-OAHLLOKOSA-N 287.746 3.591 0 40 CHAB Cc1cncc(N[C@@H](C)CC(=O)Nc2ccccc2C)c1 97038330 HXKJAGBHCKPJBB-AWEZNQCLSA-N 283.375 3.528 0 40 CHAB O=C(CCC(=O)c1ccccc1)Nc1ccc2[nH]ccc2c1 71903753 WFUWIBPBIATWCJ-UHFFFAOYSA-N 292.338 3.770 0 40 CHAB CC[C@H](NCc1cscn1)c1ccc(OC(F)F)cc1 95421391 IKIIRBXTOZSIDH-ZDUSSCGKSA-N 298.358 3.985 0 40 CHAB Cc1cc([C@@H](C)NCC[S@@](=O)C(C)(C)C)c(C)s1 95422600 KPJPXWRRBNRULJ-ZMZPIMSZSA-N 287.494 3.563 0 40 CHAB O=C(CCCc1nc2ccccc2o1)Nc1ccc(F)cc1 31809290 BLQJQIHBOQGQJD-UHFFFAOYSA-N 298.317 3.928 0 40 CHAB CCN1CCCC[C@H]1c1cnc(N2CCCC2)c(C)c1 72218817 GQWRDJAZQAGEKG-INIZCTEOSA-N 273.424 3.537 0 40 CHAB COc1ccc2ccccc2c1[C@H](CN)N1CCC[C@H](C)C1 36101584 IYHLFVKGPZPWHN-YOEHRIQHSA-N 298.430 3.580 0 40 CHAB CCN1CCCC[C@H]1c1ccc(NC2CCC2)nc1 72213855 YNSLOTZERRBIHA-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB COc1ccc(-c2csc(Br)n2)cc1C 41458037 BLLYSTOUSFVMJZ-UHFFFAOYSA-N 284.178 3.890 0 40 CHAB CCOc1ccc(-c2csc(Br)n2)cc1 41458043 PNHPVZIWMWWHOI-UHFFFAOYSA-N 284.178 3.971 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(S)nc1C 72218385 PLIIWULWBBMCPK-CYBMUJFWSA-N 250.411 3.616 0 40 CHAB Cc1cccc([C@@H](O)c2ccccc2Br)c1 43560659 IJTNZYNYUPQFBO-CQSZACIVSA-N 277.161 3.839 0 40 CHAB Cc1cc(C(=O)NC[C@@H]2C[C@@H](C(C)C)c3ccccc32)on1 329884762 SVSSFZAPRXNDFT-BBRMVZONSA-N 298.386 3.640 0 40 CHAB CCCCOc1ccc(SCC(=O)OCC)cc1 139325843 XSDIPKBEBZWEHL-UHFFFAOYSA-N 268.378 3.521 0 40 CHAB O=C(Nc1ccccc1F)N1CC[C@H]1c1ccccc1 45827356 MQHFMVNEDNDQRO-HNNXBMFYSA-N 270.307 3.805 0 40 CHAB O=C(c1cccc(OC(F)(F)C(F)F)c1)c1ccccn1 95740226 UMVLOKMKQKMLRC-UHFFFAOYSA-N 299.223 3.549 0 40 CHAB CCC[C@@H](O)c1cccc(OC(F)(F)C(F)F)c1 95740156 GTQYJXKVWBMFFO-SNVBAGLBSA-N 266.234 3.757 0 40 CHAB c1cc(Oc2cccc3ccccc23)cc(-c2nnn[nH]2)c1 90751101 NSCYSEFDJMLCEB-UHFFFAOYSA-N 288.310 3.812 0 40 CHAB CC1(CNc2ccc(F)c(Cl)c2)CCOCC1 95939224 AQJMVBOPIZTEIQ-UHFFFAOYSA-N 257.736 3.708 0 40 CHAB Cc1cccc(C)c1NC(=O)COc1c(C)cccc1C 5619887 KJJATXWWHDDKFE-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CCCCCCSc1nc(C)c(CC)c(O)n1 13512838 MXNDMRIPFYVWFP-UHFFFAOYSA-N 254.399 3.725 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2c(F)cccc2F)c1 14401125 OIEJCUGSFUHYQQ-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB CN(Cc1ccsc1)C(=O)c1cc2ccccc2cn1 19865634 JLRQYWJJKZVQAN-UHFFFAOYSA-N 282.368 3.569 0 40 CHAB Cc1cccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1 36878837 DPSZFTDDJZNGLN-UHFFFAOYSA-N 290.407 3.806 0 40 CHAB CC1(C)C=C(c2ccc(C=O)s2)CC(C)(C)N1[O] 100711606 ZUXLWXFVFUIICR-UHFFFAOYSA-N 264.370 3.552 0 40 CHAB Cc1cccc(C)c1NC(=O)NCCc1ccccc1F 40099254 IPNDZXZHBPOIOB-UHFFFAOYSA-N 286.350 3.807 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3ccncc3)cc2)cs1 88734 JGAZNLXYBMOBHI-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CSCCC(=O)Nc1cccc(OC2CCCC2)c1 31207121 ARKKJMXGBCWWAO-UHFFFAOYSA-N 279.405 3.700 0 40 CHAB C[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 30121 UEFLVNWAPMVZQD-VIFPVBQESA-N 272.175 3.866 0 40 CHAB Cc1cc(C)c(-c2nnc(-c3ccco3)o2)c(C)c1 53233 HNYSKYURHYKWBQ-UHFFFAOYSA-N 254.289 3.922 0 40 CHAB Cc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 568903 GKWMRTYLNDJVTN-UHFFFAOYSA-N 269.388 3.550 0 40 CHAB CCC(CC)c1nnc(NC(=O)C2CCCCC2)s1 804705 HVZDFNVNNRRZFB-UHFFFAOYSA-N 281.425 3.961 0 40 CHAB O=S1(=O)c2ccccc2Nc2cc3ccccc3cc21 1705766 LZPODVMZBAPLAL-UHFFFAOYSA-N 281.336 3.730 0 40 CHAB C[C@@H]1C(O)[C@H](C)[C@H](c2cccs2)N[C@@H]1c1cccs1 4099756 CPNYMZKNSCYTRC-UCHNKNFPSA-N 293.457 3.828 0 40 CHAB O=C(CC[C@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 32815737 NGGYKZHWEBXSCU-GFCCVEGCSA-N 288.174 3.891 0 40 CHAB C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 4721763 JXQJDYXWHSVOEF-GFEQUFNTSA-N 286.415 3.999 0 40 CHAB in-vitro CC(C)c1nn2cc(-c3ccc(F)cc3)nc2s1 6748223 RAOHIOFEFAFMJC-UHFFFAOYSA-N 261.325 3.720 0 40 CHAB COCc1cccc(C(=O)Nc2cc(C)ccc2C)c1 7666797 LLYFMZVURMUAIB-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB Cc1cc(C(C)(C)C)ccc1OCCCC(=O)O 37116955 DBENJXOKYASJSU-UHFFFAOYSA-N 250.338 3.536 0 40 CHAB in-vitro COc1ccc(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)cc1 8306503 XWOASRKUVOXXQP-UHFFFAOYSA-N 299.414 3.736 0 40 CHAB Fc1ccc(F)c(CNc2ccc(F)c(F)c2)c1 37228355 LEVBFVDUORYUSK-UHFFFAOYSA-N 255.214 3.855 0 40 CHAB O=C(CSc1nc2ccccc2s1)c1ccccn1 12249808 KANFNXVWYICKMT-UHFFFAOYSA-N 286.381 3.666 0 40 CHAB O=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100403101 UKOAZIHMBPIBPU-BREBYQMCSA-N 264.756 3.650 0 40 CHAB C[C@@H](NC(=O)C1CCCC1)c1ccc2c(c1)CCCC2 28671689 KVOPNWPQOGOMQO-CYBMUJFWSA-N 271.404 3.933 0 40 CHAB Cc1ccccc1CC(=O)N(Cc1ccccc1)C(C)C 54531719 WLNURSQIHWCRJT-UHFFFAOYSA-N 281.399 3.975 0 40 CHAB CCc1ccc(OCC[C@H]2CCCCN2)c(Cl)c1 42770893 PWGNABJESQSLPJ-CYBMUJFWSA-N 267.800 3.813 0 40 CHAB CN(Cc1cccs1)C(=O)c1ccc2ncsc2c1 24838115 ADKZQFVEGZICJA-UHFFFAOYSA-N 288.397 3.630 0 40 CHAB CCOC(=O)c1c(N)sc2c1[C@@]1(C)CC[C@H]2C1(C)C 100263270 QDFQSMRKTKDQKA-ANRSDYALSA-N 279.405 3.682 0 40 CHAB CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28221229 SZOJWICQYZRRIJ-KGLIPLIRSA-N 270.376 3.701 0 40 CHAB CC(C)OC(=O)/C=C/c1ccc(Cl)cc1Cl 58787958 ORKPHYZCVZOTQN-GQCTYLIASA-N 259.132 3.958 0 40 CHAB COc1ccc([C@@H](NC(=O)NC2CCCC2)C(C)C)cc1 10036173 TYGGQQUSUJYLFB-INIZCTEOSA-N 290.407 3.634 0 40 CHAB C/C=C/C=C/C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 58150138 DCHWSXTVZJYIRB-CRBCFSCISA-N 281.359 3.901 0 40 CHAB COc1cccc2cc([C@@H](C)NC(=O)[C@@H]3CC=CCC3)oc12 25138917 VUIYLGNYLFSWLZ-CHWSQXEVSA-N 299.370 3.975 0 40 CHAB Cc1ccccc1NC(=O)c1coc(Br)c1 12932920 XFOBGVMTHPOSKV-UHFFFAOYSA-N 280.121 3.603 0 40 CHAB Cc1ccc2nc(S[C@H](C(=O)O)c3ccccc3)[nH]c2c1 3848328 PRJIEAHSJLTVBI-AWEZNQCLSA-N 298.367 3.789 0 40 CHAB CC(C)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 13228396 ASVIMNLLHYIMTM-UHFFFAOYSA-N 279.343 3.939 0 40 CHAB CN(C)C(=O)N1Cc2ccccc2C(C)(C)CC1(C)C 6257549 TURLSKBSJKDLOK-UHFFFAOYSA-N 274.408 3.630 0 40 CHAB CCC(C)(CC)NC(=O)c1ccc(OC(F)F)cc1 78675971 KALPTHFWLZKHSL-UHFFFAOYSA-N 271.307 3.597 0 40 CHAB Clc1ccc2c(NCc3ccccn3)ccnc2c1 6508064 XXWZFWUXSRUTRT-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB Cc1scc(C(=O)N2CCCC2)c1-c1ccccc1 20294111 BUTCXMGMQANHDO-UHFFFAOYSA-N 271.385 3.960 0 40 CHAB Cn1cc([C@@H]2Sc3ccccc3NC2=O)c2ccccc21 6784450 LTFNBFSDDUOJAL-INIZCTEOSA-N 294.379 3.964 0 40 CHAB COCc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 25334562 QLMCUAFBZAFPAU-CQSZACIVSA-N 299.370 3.547 0 40 CHAB CCC[C@H]1CCCN(C(=O)c2c(C)nsc2NC)CC1 71846700 TWOLMNKJWMJDKJ-LBPRGKRZSA-N 295.452 3.536 0 40 CHAB Clc1ccc(CNc2nc(-c3cccs3)n[nH]2)cc1 9667639 OXRUGWNENSINGN-UHFFFAOYSA-N 290.779 3.799 0 40 CHAB O=C(c1ccccc1)c1ccccc1OC(F)(F)F 55199430 QGKPNYYPLDRYGK-UHFFFAOYSA-N 266.218 3.816 0 40 CHAB O=Cc1ccc(C(F)(F)F)nc1-c1ccccc1F 514278946 PGNYPBZNQMYTPO-UHFFFAOYSA-N 269.197 3.719 0 40 CHAB Cc1cc(-c2ccc(CO)o2)ccc1Br 37715706 DNVOFBOAZDWXPN-UHFFFAOYSA-N 267.122 3.510 0 40 CHAB O=C(O)c1cc2ccc(F)cc2n1Cc1ccccc1 71976859 BBAKKTIUUULFQN-UHFFFAOYSA-N 269.275 3.527 0 40 CHAB Oc1ccc(I)cc1-c1ccccc1 39406679 RNAKFENSCBCFIJ-UHFFFAOYSA-N 296.107 3.664 0 40 CHAB Cc1nc(SCc2ccccc2)ccc1[C@@H](C)O 72224490 HEOXBKPMQOSRNF-GFCCVEGCSA-N 259.374 3.736 0 40 CHAB O=C(O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1 40435368 VPHQUMSAFIQECF-UHFFFAOYSA-N 273.235 3.527 0 40 CHAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCNC2)n1 72354412 JPDZGSPFHKYVSM-INIZCTEOSA-N 284.378 3.587 0 40 CHAB Cc1ccc(CCC(=O)NCCSC2CCCC2)cc1 222723935 PBFUFCICXZZAAT-UHFFFAOYSA-N 291.460 3.720 0 40 CHAB Cc1nnc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)o1 96493197 VYBVYCGCVRXPCB-JBCWJZNQSA-N 291.782 3.518 0 40 CHAB Cc1cc(F)cc(C(=O)CC2(CC(=O)O)CCCC2)c1 95634341 ADHKXPUKJZFZIH-UHFFFAOYSA-N 278.323 3.742 0 40 CHAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1cccs1 96409136 DSNOMAVXNYTEIX-JTQLQIEISA-N 295.433 3.645 0 40 CHAB CCc1nccn1-c1ccc(Br)cc1Cl 95915868 XESWJWBQSNVZNA-UHFFFAOYSA-N 285.572 3.851 0 40 CHAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1O 11639190 WCNOIIANCVJUDY-UHFFFAOYSA-N 281.233 3.663 0 40 CHAB C1CCC(OC[C@@H]2CCCN3CCCC[C@H]23)CC1 5382501 DBTLXFQLEFJHCH-GOEBONIOSA-N 251.414 3.600 0 40 CHAB biogenic,in-vitro Cc1ccc(C)c(OCC(=O)Nc2ccc(F)c(F)c2)c1 5679910 WUVVCSRJXMLFQJ-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB Cc1ccc(CNC(=O)c2ccc3nc(C4CC4)oc3c2)o1 12744990 GEDZBIHPJPIFTM-UHFFFAOYSA-N 296.326 3.537 0 40 CHAB Cc1ccc(NC(=S)NC2CCCC2)cc1Cl 6478160 QCTCMFSAWFVFRW-UHFFFAOYSA-N 268.813 3.877 0 40 CHAB O=C(CCSc1ccccc1)N1CCCCCC1 8306829 CACJFYHUZSXYTR-UHFFFAOYSA-N 263.406 3.571 0 40 CHAB COc1ccc(CN2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1 1776008540 KMRMGQGIEAWDTD-IRXDYDNUSA-N 269.388 3.912 0 40 CHAB CCOC(=O)c1ccc(Nc2ccccc2Cl)c(N)c1 41081583 RXTDGJMIEOSHST-UHFFFAOYSA-N 290.750 3.843 0 40 CHAB O=C(O)Cc1c(Cl)cc(OC(F)(F)F)cc1Cl 12359290 WYDNDXLEZXNBAN-UHFFFAOYSA-N 289.036 3.519 0 40 CHAB CCC[C@@H](Oc1ccc(C(C)C)cc1C)C(=O)O 8730647 BCJLYVHEJXJJFM-CQSZACIVSA-N 250.338 3.751 0 40 CHAB O=C(NCCSC1CCCC1)Nc1cccc(F)c1 40095862 NRYKSRNCTDJNOM-UHFFFAOYSA-N 282.384 3.623 0 40 CHAB Cc1ccc([C@H]2C=C(c3cccs3)Nc3ncnn32)cc1 100834940 LGZGQHCFEMPBPN-CQSZACIVSA-N 294.383 3.704 0 40 CHAB CCCCCc1ccc(-c2cc(C(=O)OC)no2)cc1 1857794127 SOWQOJQJDMIECW-UHFFFAOYSA-N 273.332 3.861 0 40 CHAB CC(=O)Nc1ccc(S[C@@H]2CCCCCC2=O)cc1 29385219 DPUMEBGQGYFSGL-OAHLLOKOSA-N 277.389 3.639 0 40 CHAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 102169514 RFRFDCULURPQDK-OXJKWZBOSA-N 277.795 3.895 0 40 CHAB O=C(OCc1ncc(-c2ccccc2)o1)c1cccc(F)c1 7514004 ZRCSGBJPDXYEAM-UHFFFAOYSA-N 297.285 3.838 0 40 CHAB Cc1[nH]c2ccccc2c1[C@H](CN)c1ccccc1 11919584 GSGJVAPSKPIZOX-OAHLLOKOSA-N 250.345 3.567 0 40 CHAB Cc1cc(C)cc(CSCC(=O)N2CCCCCC2)c1 8335575 FBRXXGRMNUHCMI-UHFFFAOYSA-N 291.460 3.939 0 40 CHAB CC(C)(C)[C@H](NC(=O)N1CCSCC1)c1ccccc1 46894054 IESWJQRYPUAKCS-CQSZACIVSA-N 292.448 3.532 0 40 CHAB CCOc1ccccc1CNC(=O)c1ccccc1Cl 53164517 KFXTVSXWODRJTE-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB COc1ccccc1CN(C)c1nc2ccccc2s1 24748941 CWYSJVDRUBUFRW-UHFFFAOYSA-N 284.384 3.941 0 40 CHAB Cc1cc(C(=O)N(C)Cc2nc3ccccc3[nH]2)sc1C 12553683 WAGSYHVNWYBITJ-UHFFFAOYSA-N 299.399 3.513 0 40 CHAB C[C@@]12[C@H]3[C@@H]4[C@H]5CC[C@H]4[C@]14OC[C@]41[C@@H]5[C@@H]3[C@H]3[C@H]1[C@H]1CCC[C@H]1[C@H]32 104294770 MQVLKYFHCBNAPZ-XYKVXPMZSA-N 294.438 3.586 0 40 CHAB CC/N=C1\S/C(=C/c2ccc(Cl)cc2)C(=O)N1CC 109596733 VVQMPUQFULXXFN-XATUQZFKSA-N 294.807 3.652 0 40 CHAB O=C(Nc1ccccc1SC(F)(F)F)N1CCCC1 47863093 XUELZQOCFQAQHD-UHFFFAOYSA-N 290.310 3.926 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1 12648032 ABQWDNVBAMWYDM-CQSZACIVSA-N 268.360 3.555 0 40 CHAB CCCCCNc1ncnc2c1[nH]c1ccc(OC)cc12 2428777 DFCUKQIPVSJPQL-UHFFFAOYSA-N 284.363 3.722 0 40 CHAB O=C(CCOc1ccccc1)Nc1cccc2c1CCCC2 12820189 SHNLQCYFMCQQGV-UHFFFAOYSA-N 295.382 3.973 0 40 CHAB CCCc1ccc(NC(=O)c2cccc(OC)c2OC)cc1 12977440 OUUOLAXNXKSGMB-UHFFFAOYSA-N 299.370 3.909 0 40 CHAB Cc1ccc(C)n1[C@@H](CC(=O)O)c1cccc(Cl)c1 3880960 GIGKIGWKZMEQHX-AWEZNQCLSA-N 277.751 3.822 0 40 CHAB COc1ccccc1NC(=S)Nc1ccc(C)cc1 13788551 MBDDAFOWPGRAER-UHFFFAOYSA-N 272.373 3.813 0 40 CHAB Cc1ccc([C@H](C)Nc2nccc(C(F)(F)F)n2)o1 70250172 BYYBJZDASGOJRZ-QMMMGPOBSA-N 271.242 3.570 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1 5425531 MGTKYWUYUWCORT-CQSZACIVSA-N 269.369 3.654 0 40 CHAB Cc1cccc2nc(C(=O)Nc3ccccc3Cl)cn12 8754260 OTWDRSGBRCJDBF-UHFFFAOYSA-N 285.734 3.548 0 40 CHAB COc1ccc(C)cc1CCNC1CCC(C)CC1 7736195 VXGMLUVRVGGBCM-UHFFFAOYSA-N 261.409 3.714 0 40 CHAB COc1ccc(SCc2nc(C)cs2)cc1OC 95966878 PBMFIAWOWNYQJI-UHFFFAOYSA-N 281.402 3.761 0 40 CHAB C[C@H](N)CCc1ccc(OCc2ccccc2)cc1 22169340 FPECOSYBIOUTMG-AWEZNQCLSA-N 255.361 3.545 0 40 CHAB Cc1noc(C)c1NC(=O)N(C)Cc1cccc(Cl)c1 60343558 JCZPPWVBNPOSGR-UHFFFAOYSA-N 293.754 3.609 0 40 CHAB CCC(CC)N(C)C(=O)Nc1cccc(C(C)=O)c1 41638953 HFFCPRSNLFICOV-UHFFFAOYSA-N 262.353 3.542 0 40 CHAB CC[C@H](Cc1ccccc1)c1nc(-c2cscn2)no1 516840552 SBRBEVUHOWCRNL-GFCCVEGCSA-N 285.372 3.929 0 40 CHAB CCC[C@H](C(=O)Nc1cncnc1)c1cccc(Cl)c1 529044829 NKCOKYQKDYOOTD-AWEZNQCLSA-N 289.766 3.652 0 40 CHAB CCCOC(=O)c1ccc(NC2CCCCC2)c(N)c1 70461629 ZQMZJHZMYNIKLQ-UHFFFAOYSA-N 276.380 3.580 0 40 CHAB CCc1ccc([C@H](C)NC(=O)N(C)[C@H](C)C2CC2)cc1 79219126 UYXSWACHQABSDS-QWHCGFSZSA-N 274.408 3.750 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1F)c1ccc(F)cc1 32538637 AWYFTDXDPPXFGR-LBPRGKRZSA-N 289.325 3.775 0 40 CHAB Cc1ccc(CCCNC(=O)Cc2ccc(C)c(C)c2)cc1 218805345 UGJNHUIDQRLIMA-UHFFFAOYSA-N 295.426 3.903 0 40 CHAB Fc1cc2cc(Cl)ccc2nc1Br 71255605 OTCKWMCOWVGVHT-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB CC(=O)N1CCCC[C@H]1c1cccnc1SC(C)C 72217575 VNXLTMACWSZHIS-AWEZNQCLSA-N 278.421 3.656 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1ccc(F)cc1C 157712176 HRJQIQIVMXSTLH-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1ccc(CNC(=O)c2cc3cccc(C)c3o2)cc1 41306838 JPUSINHHONCWAY-UHFFFAOYSA-N 279.339 3.980 0 40 CHAB O=C(N[C@@H](c1nccs1)C1CC1)c1cccc2cc[nH]c12 80495489 FCORUFDRVZGQFU-CQSZACIVSA-N 297.383 3.506 0 40 CHAB Cc1ccc(CC(=O)NC(C)(C)Cc2ccccc2)c(C)c1 224610883 TUPPLTGBFLPRKF-UHFFFAOYSA-N 295.426 3.983 0 40 CHAB CNc1nc2c(s1)[C@H](c1ccc(Cl)cc1)CC(O)=N2 49545611 YQFHQWUXJFAAKM-VIFPVBQESA-N 293.779 3.962 0 40 CHAB C[C@@H]1CCCc2nc3cc(C(F)(F)F)ccc3n21 226251557 BEKNNPZICDDLBH-MRVPVSSYSA-N 254.255 3.952 0 40 CHAB CC(C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 40286466 TVRRSLFSUDXXLW-UHFFFAOYSA-N 285.269 3.566 0 40 CHAB c1ccc(CCNc2cnn(C3CCCC3)c2)cc1 256052824 OVAVYXVPWGFOPB-UHFFFAOYSA-N 255.365 3.653 0 40 CHAB Oc1cc(C(F)(F)F)nc2cc(Cl)nc(Cl)c12 252485532 GXSRYRRUXQNQJC-UHFFFAOYSA-N 283.036 3.661 0 40 CHAB CC(C)CCCNC(=O)[C@H]1C[C@H](C)Nc2ccccc21 62097850 XHDJVOMQLIUQON-ZFWWWQNUSA-N 274.408 3.527 0 40 CHAB CC1=Nc2c(C)noc2C[C@H](c2ccccc2O)C1 5518484 UKAPBQCDYQXLJV-LLVKDONJSA-N 256.305 3.511 0 40 CHAB Cc1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1 5548625 RKQGJVTWMOIPFU-UHFFFAOYSA-N 254.264 3.851 0 40 CHAB COc1c(C)cccc1C(=O)Nc1nc2ccccc2s1 14257995 QREXYXRMJMZCGX-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB CCc1ccc(C(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1 226322426 LHOHZTPHDDNFEE-DHZHZOJOSA-N 295.338 3.599 0 40 CHAB Cc1ccccc1CC(=O)NCC(C)(C)c1ccccc1 32472327 MWIHCSAVFBSOGH-UHFFFAOYSA-N 281.399 3.632 0 40 CHAB C[C@H](O)c1nc2ccccc2n1[C@H](C)c1ccccc1 99430 KXJMPGXUOJCYDN-OLZOCXBDSA-N 266.344 3.699 0 40 CHAB CC(=O)c1ccc2ccccc2c1OC(=O)c1cccnc1 242104 VBMXOXRYYKJHJC-UHFFFAOYSA-N 291.306 3.657 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cc(Cl)ccn2)c1 5269382 UGERMURSTBBQPP-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CCc1ccc(NCc2noc(C(C)(C)C)n2)cc1F 152434182 DRROCAXZVPHYPT-UHFFFAOYSA-N 277.343 3.681 0 40 CHAB Cc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1C 40462002 RQSIONLOYGQNRY-LBPRGKRZSA-N 285.309 3.718 0 40 CHAB Cc1nc2cc(Br)cc(Br)c2o1 35169 KKTUAQTWGVJNKM-UHFFFAOYSA-N 290.942 3.661 0 40 CHAB CC(C)c1ccc(OC(=O)COc2ccccc2)cc1 129612 WQJCITCWMUXGSC-UHFFFAOYSA-N 270.328 3.794 0 40 CHAB Cc1ccc(C(=O)c2cccc(CN3CC=CC3)c2)cc1 2515379 SFYRFVRPZUYSGY-UHFFFAOYSA-N 277.367 3.598 0 40 CHAB Cc1ccc(C(=O)NCc2ccccc2Cl)cc1F 7952054 VCRCBZJQAKTQTH-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB CC(C)CCN1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C 1437999 NRNKPUIJZXENIG-XYJFISCASA-N 275.436 3.651 0 40 CHAB COc1ccc(OC(=O)Nc2ccccc2C)cc1 1732609 VBILBNSVNKBGKD-UHFFFAOYSA-N 257.289 3.615 0 40 CHAB CCS(=O)(=O)Nc1ccccc1Oc1ccc(C)cc1 32686426 XNSWUOFAOJIXGA-UHFFFAOYSA-N 291.372 3.549 0 40 CHAB O=P1(O)C=C(c2ccccc2)NC(c2ccccc2)=C1 3212407 ROKNDKSLBMXZNT-UHFFFAOYSA-N 283.267 3.857 0 40 CHAB Oc1ccc(CN2CCCc3ccccc32)c2cccnc12 3646579 XFWZCGBSXBBLDJ-UHFFFAOYSA-N 290.366 3.893 0 40 CHAB Cc1nc(C)c(C(=O)Nc2cccc(Cl)c2C)o1 4148087 YKWDLODGYFAZPL-UHFFFAOYSA-N 264.712 3.506 0 40 CHAB Cc1ccc(NC(=S)NCc2ccccc2F)cc1C 6335196 MROXSKGFKXMFHU-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB Cc1c(CO)c2ccccc2n1Cc1ccccc1F 564515 XUACOKMPLQKWJL-UHFFFAOYSA-N 269.319 3.629 0 40 CHAB COc1cc2ccccc2cc1C(=O)NCc1ccccc1 3190824 DBXYSMLXUHHGGP-UHFFFAOYSA-N 291.350 3.778 0 40 CHAB C/C(=C\C(=O)Nc1ccc(Oc2cnccn2)cc1)C1CC1 55386994 LKAZPCMUUZMLMF-ZRDIBKRKSA-N 295.342 3.564 0 40 CHAB O=C(CCCc1ccccc1)N1CC(Cc2ccccc2)C1 58063120 NRVQCQKNWSTSQC-UHFFFAOYSA-N 293.410 3.710 0 40 CHAB Cc1ccc(N[C@@H](C)C(=O)N(C(C)C)C(C)C)c(C)c1 58161539 CGQQFOLAZKVVIZ-HNNXBMFYSA-N 276.424 3.749 0 40 CHAB CC[C@H](C)NCc1ccc(O[C@H](C)CC)c(OC)c1 66116161 FYSYRBSXBBTMKZ-QWHCGFSZSA-N 265.397 3.761 0 40 CHAB c1cc(CCN2CCC[C@H]2c2ccsc2)ccn1 58434795 ZFMFLTZFHMQSCM-HNNXBMFYSA-N 258.390 3.523 0 40 CHAB c1ccc2[nH]c(CNc3nc4ccccc4o3)cc2c1 58544096 KTYYKKOJFMEVFT-UHFFFAOYSA-N 263.300 3.921 0 40 CHAB Cc1ccc(NC(=O)c2cc(C)nc3onc(C)c23)c(F)c1 12736012 SSUMOQYEVJMWIA-UHFFFAOYSA-N 299.305 3.539 0 40 CHAB CCCCC(=O)Nc1cc(F)ccc1N1CCCCC1 69350568 HSRRJKZAWSCWNL-UHFFFAOYSA-N 278.371 3.945 0 40 CHAB COc1cccc2c1O[C@H](C)N1N=C(c3ccccc3)C[C@H]21 13811236 RDVAKRDQKQGPIM-MLGOLLRUSA-N 294.354 3.585 0 40 CHAB CC(=O)Nc1ccc(C(=O)c2cc3ccccc3o2)c(F)c1 14202121 ZYXHOXBMXWMKBA-UHFFFAOYSA-N 297.285 3.761 0 40 CHAB CCc1ccc(/C=C/C(=O)Nc2ccccc2C)o1 5487753 KTGRMQOKVICVTB-ZHACJKMWSA-N 255.317 3.802 0 40 CHAB Cc1ccccc1CC(=O)Nc1cccc(C)c1C 7475960 ZMRLYPFMDGHYCD-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB c1ccc(COc2ccc(OCc3ccccn3)cc2)nc1 90751892 QBDQXOFFHAJOBM-UHFFFAOYSA-N 292.338 3.635 0 40 CHAB CN(C(=O)c1scnc1C(F)(F)F)C1CCCCC1 96755437 FNXRBBYMHMUTKU-UHFFFAOYSA-N 292.326 3.567 0 40 CHAB CCc1noc(C)c1COc1cc2cnccc2cc1OC 97115042 VNPPFDPLEITQJW-UHFFFAOYSA-N 298.342 3.681 0 40 CHAB Cc1cnc(NC(=O)c2nc(C)sc2CC(C)C)s1 72402931 GMXYWSQCIOHWAS-UHFFFAOYSA-N 295.433 3.667 0 40 CHAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H]1c1cccs1 23178679 HSYUMAYMJOTWSK-LLVKDONJSA-N 280.780 3.707 0 40 CHAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CCCCC1 216864501 PBNLSTSNZXMGLA-UHFFFAOYSA-N 289.423 3.552 0 40 CHAB CCN(CC)CCn1c2c(c3ccccc31)CCCC2 59842741 DHAHOTFPLVDFOL-UHFFFAOYSA-N 270.420 3.862 0 40 CHAB Cc1cc(-c2cnc(C)nc2-c2sccc2C)on1 72398150 FBCHRXVTUIJCCY-UHFFFAOYSA-N 271.345 3.785 0 40 CHAB CCCc1ccc(OCCNC(=O)Nc2ccccc2)cc1 223380759 FMRVLVRHZHFUEU-UHFFFAOYSA-N 298.386 3.840 0 40 CHAB COc1ccc(NC(=S)Nc2ccc(C)cc2)cc1F 44194789 JXLRHFPZAQCIAW-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CCN(CC)c1c(N)cc(Br)cc1Cl 45958924 ZWEHEELJFQDZHP-UHFFFAOYSA-N 277.593 3.531 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 225874101 ICNQBCUYVMQQGL-CQSZACIVSA-N 285.362 3.862 0 40 CHAB COc1cc2c(Br)cc(C)nc2cc1Cl 85386352 GNQSAKDKCNIFCE-UHFFFAOYSA-N 286.556 3.968 0 40 CHAB Cc1ccc2c(c1)N(C(C)(C)C(=O)O)C(C)(C)C[C@H]2C 260619446 LWCNWBJOCNZDMW-GFCCVEGCSA-N 275.392 3.950 0 40 CHAB Cc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(C)C 685938146 DKWDEVNQVPCCCZ-UHFFFAOYSA-N 269.266 3.979 0 40 CHAB Clc1ncccc1-c1cncc(Br)c1 12359315 COJZEDKIKXPLEE-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB CCOc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 12870967 CYHIDTQDCJJJNU-KRWDZBQOSA-N 281.355 3.503 0 40 CHAB CC(C)CCNC(=O)[C@@H](C)Oc1cccc2ccccc12 13709300 UMXZTFUZSWRUCE-CQSZACIVSA-N 285.387 3.769 0 40 CHAB Cc1noc(C)c1C(=O)N[C@@H](C)c1cccc2ccccc12 14601989 FCBHIWMPLJOWFZ-NSHDSACASA-N 294.354 3.936 0 40 CHAB Cc1ccc(C)c(/N=C/c2ccccc2OCC(=O)O)c1 8368183 CVRGZIOBCANXIC-VCHYOVAHSA-N 283.327 3.517 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2ccc(N)cc2Cl)cc1 20345354 GHVRAOTUNNKMNJ-RMKNXTFCSA-N 286.762 3.883 0 40 CHAB CCN[C@@H](c1cccnc1)c1csc2ccccc12 35555077 ZXCNYYLWJALIOX-INIZCTEOSA-N 268.385 3.995 0 40 CHAB in-vitro COc1ccccc1[C@@H]1CCCC[C@@H]1SCC(=O)O 4974740 BRCAEQAGGCZOHW-JSGCOSHPSA-N 280.389 3.539 0 40 CHAB Cc1cc(Br)cnc1N1Cc2ccccc2C1 228321070 LLNPBZWSSKVTOJ-UHFFFAOYSA-N 289.176 3.673 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(Cl)o1 31793235 JJGIRHWESGOSFU-JTQLQIEISA-N 293.775 3.900 0 40 CHAB CCc1ccc(C(=O)Cc2cc3ccccc3oc2=O)cc1 216803 YBTBSZNUNXQJGY-UHFFFAOYSA-N 292.334 3.781 0 40 CHAB CC1(C)CCc2c(cc3c(c2O)CCC(C)(C)O3)O1 1607608 VTSPQZOQWQRPGZ-UHFFFAOYSA-N 262.349 3.599 0 40 CHAB O=C(O[C@@H]1c2cccc3cccc(c23)[C@H]1O)c1ccccc1 1716939 XLGWYZRUVUWDAY-QZTJIDSGSA-N 290.318 3.785 0 40 CHAB Cc1cc(C)c2[nH]c(=O)c(CN[C@H]3CCCC[C@@H]3C)cc2c1 4130496 MOVBEKVSGZJPOK-GUYCJALGSA-N 298.430 3.813 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108924861 GZLMXKGDLFLCCX-DSRCVFDASA-N 291.822 3.823 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)N1CCc2ccccc21 10448994 OCFGNBPWWKCQEE-ZDUSSCGKSA-N 283.396 3.757 0 40 CHAB FC(F)(F)c1cnc(NCC2CCOCC2)c(Cl)c1 42784061 ZPUFULGLOWCQSK-UHFFFAOYSA-N 294.704 3.592 0 40 CHAB CN(C)C(=O)c1cc(-c2cccs2)nc2ccccc12 23995028 HPXNUQAHKIHUKN-UHFFFAOYSA-N 282.368 3.665 0 40 CHAB Cc1cc(Cl)nc(COc2cccc(Cl)c2)n1 58043487 KKOSDOLXQNLZFV-UHFFFAOYSA-N 269.131 3.671 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)OCc1ccc(Cl)cc1Cl 3259541 HHVOGRFDSJSCMB-XCBNKYQSSA-N 259.132 3.693 0 40 CHAB COc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 12603001 MWVHYOZCMQDSMM-CQSZACIVSA-N 299.395 3.662 0 40 CHAB CC(=O)Nc1ccc(C(=O)Oc2cccc(Cl)c2)s1 12683493 YXDDDEFTHDJAJU-UHFFFAOYSA-N 295.747 3.579 0 40 CHAB Cc1cc(C(=O)NCC(C)C)c(C)n1C1CCCCC1 24713868 MNXIGARCIHWZDT-UHFFFAOYSA-N 276.424 3.996 0 40 CHAB Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2CC=CCC2)cc1 36633493 PJNMIVYIDWUSIS-OAHLLOKOSA-N 295.386 3.784 0 40 CHAB Cc1cc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)no1 48354310 RLPQVBNOCOBOHG-OAHLLOKOSA-N 299.374 3.612 0 40 CHAB COC(=O)c1ccc([C@@H](C)Sc2nc(C)cs2)o1 48331546 YLJXKKUFBBWOOQ-MRVPVSSYSA-N 283.374 3.684 0 40 CHAB Cc1cc(S(=O)(=O)NC2CCCCC2)c(C)c(C)c1C 16780098 RIEMZCSVJOIYPN-UHFFFAOYSA-N 295.448 3.531 0 40 CHAB COc1ccccc1-c1cc(NC(=O)C2CCCCC2)[nH]n1 69143049 OBXYCXMVHSSABR-UHFFFAOYSA-N 299.374 3.604 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC=CCC1 13017108 UXZWTJBVZSWCSY-NSHDSACASA-N 279.767 3.952 0 40 CHAB CC(=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1 6377028 ZCOYXTVSRRMKSQ-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB c1ccc(Sc2ccc(Sc3ccccn3)nn2)nc1 5332405 IDYMXFBJTSMORY-UHFFFAOYSA-N 298.396 3.569 0 40 CHAB CCCCN[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 4603260 GIICTNPUJIMYDY-GOSISDBHSA-N 294.398 3.731 0 40 CHAB Cc1ccc(NC(=O)c2c(F)cccc2F)cc1C 5558686 FUVXXONCOAFVLQ-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB c1ccc2c(c1)CCC[C@H]2NCc1cnc2ccccn12 72272612 GAVGKCINDIYQCO-QGZVFWFLSA-N 277.371 3.502 0 40 CHAB O=C(Nc1cc(-c2cccs2)n[nH]1)c1ccc(Cl)o1 72272855 XRVVQMNWLLFMAD-UHFFFAOYSA-N 293.735 3.637 0 40 CHAB CCn1cc(N[C@H](C)c2ncc(-c3ccccc3)o2)cn1 97139796 WWXRJCPCWKWGGD-GFCCVEGCSA-N 282.347 3.731 0 40 CHAB CCNCc1ccccc1NC(=O)C[C@@H](C)c1ccccc1 95971511 VWUJCTNHSPWXOF-OAHLLOKOSA-N 296.414 3.928 0 40 CHAB CCCCCNC(=O)[C@@H](CC)Oc1cccc(Cl)c1 20456503 NDXYWHNQFIDLCR-CQSZACIVSA-N 283.799 3.804 0 40 CHAB CN(C)CC/C=C1/c2ccc(O)cc2COc2ccccc21 65742877 VWDHCVNVAWECNP-IDUWFGFVSA-N 295.382 3.668 0 40 CHAB in-vitro COc1ccc([C@@H]2CCCCCN2C(=O)C2CC2)cc1 32823494 YKSWEVNEOWMFIX-INIZCTEOSA-N 273.376 3.549 0 40 CHAB CC[C@@H](C)c1ccc(NC(=O)c2cccnc2N(C)C)cc1 31677756 KWTYFGLHUPHDMW-CYBMUJFWSA-N 297.402 3.913 0 40 CHAB O=C(OC12CC3CC(CC(C3)C1)C2)c1ccccc1 3848343 AXXPCBBSENYSJY-UHFFFAOYSA-N 256.345 3.812 0 40 CHAB biogenic N[C@@H]1C[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 70453060 GWTLKBGRQVGFTJ-WDEREUQCSA-N 267.250 3.780 0 40 CHAB FC(F)c1nnc(SCc2ccccc2Cl)[nH]1 216902172 FMDPPHWIOJWLJZ-UHFFFAOYSA-N 275.711 3.688 0 40 CHAB CN(C(=O)Nc1cccc(F)c1)C1CCCCC1 35585874 NRZNRKSOFGKUEG-UHFFFAOYSA-N 250.317 3.622 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CCc3ccccc32)CC1 79033014 QZSCYZYRQRKKLK-UHFFFAOYSA-N 287.403 3.902 0 40 CHAB O=C(Cc1ccc(Cl)cc1F)N1CCc2ccccc21 223186616 QQIFNMQUWGPFBT-UHFFFAOYSA-N 289.737 3.611 0 40 CHAB CCCCOCc1cc(C(=O)NC(C)(C)C)ccc1OC 224433508 DSASMEMLMUPWQU-UHFFFAOYSA-N 293.407 3.540 0 40 CHAB CCSc1ccc([C@@H](O)c2cccs2)cc1 83139924 JPPBIJWVIAXTSN-CYBMUJFWSA-N 250.388 3.942 0 40 CHAB COc1ccccc1CN(C)C(=O)Cc1ccc(C)cc1C 224489122 ZPEGMQDSKYCULD-UHFFFAOYSA-N 297.398 3.513 0 40 CHAB Nc1nc2c(Br)cc(C(F)(F)F)cc2s1 22121866 CPVRXEYBOIUAJX-UHFFFAOYSA-N 297.099 3.660 0 40 CHAB CC[C@@H](C)OCc1cc(F)ccc1Br 230651889 XKZBHGNKGSSJFY-MRVPVSSYSA-N 261.134 3.903 0 40 CHAB O=C(Cc1ccccc1Cl)N1CCCc2ccccc21 16022948 ARBZAVRGCUEWIS-UHFFFAOYSA-N 285.774 3.862 0 40 CHAB Cc1ccc2cccc(NC(=O)OC(C)(C)C)c2n1 16778436 RSBCEWIPNOBLGU-UHFFFAOYSA-N 258.321 3.890 0 40 CHAB O=C(c1ccccn1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206671233 IUJHZQYFDOCRSC-OAHLLOKOSA-N 298.361 3.631 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 6500050 CBMYJHIOYJEBSB-MFXFBURESA-N 292.463 3.751 0 40 CHAB endogenous,in-man COc1cccc2cc([C@H](C)NC(=O)c3ccoc3)oc12 25192904 BAPDKVIQUKYGDM-JTQLQIEISA-N 285.299 3.525 0 40 CHAB Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1 19773306 JQBJAUZPQFFCHD-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB O=C(c1ccc(F)c(F)c1)N1CCCC[C@@H]1C(F)(F)F 225747781 BBNUPQOLFKIUKM-LLVKDONJSA-N 293.235 3.522 0 40 CHAB Cc1ccn2c(CN(C)C)c(-c3ccc(F)cc3)nc2c1 31933046 KVXXSSJYPAXEOZ-UHFFFAOYSA-N 283.350 3.510 0 40 CHAB CC[C@@H](C)n1c(C)nc2c(N)cc(C(F)(F)F)cc21 1584471 UZAYQTBCCKGIRU-SSDOTTSWSA-N 271.286 3.917 0 40 CHAB Cc1ccc(NC(=O)CCc2ccccc2)c(C)c1 362819 IZCCLDYJXVUXKS-UHFFFAOYSA-N 253.345 3.875 0 40 CHAB OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 2387767 AUJMSBKJCOVWFV-UHFFFAOYSA-N 258.264 3.926 0 40 CHAB CC(C)CCN1CCCO[P@@]1(=O)Nc1ccccc1 102056339 QMWNLOUBANOESX-IBGZPJMESA-N 282.324 3.975 0 40 CHAB BrC1(Br)C2CC3CC(C2)CC1C3 3219802 XKDNOVQSEAPAKG-UHFFFAOYSA-N 294.030 3.929 0 40 CHAB O=C(CSc1ncccn1)c1cccc2ccccc12 3221678 VLBJQFNDORURLL-UHFFFAOYSA-N 280.352 3.605 0 40 CHAB COc1cc(NCC[C@@H]2CCCCN2C)c2ncccc2c1 4366792 GCFJQTXRAZEHFB-HNNXBMFYSA-N 299.418 3.530 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)C1CCCCC1 6229550 MKPYVLCJBQPKAH-MRXNPFEDSA-N 257.377 3.761 0 40 CHAB CCC(=O)Nc1ccccc1C(=O)Nc1c(C)cccc1C 8040533 JJJGUQWAEWPNKZ-UHFFFAOYSA-N 296.370 3.904 0 40 CHAB CCc1ccc(NC(=O)COc2ccc(CC)cc2)cc1 8080016 ATBBVWJECBLGLO-UHFFFAOYSA-N 283.371 3.829 0 40 CHAB Cc1ccc(C)c(CN2C(=O)[C@@H](C)CNc3ccccc32)c1 21793448 DTKDDPOYXGTGIF-HNNXBMFYSA-N 294.398 3.898 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100329255 CKSFZMXQPUJPIO-DTZQCDIJSA-N 289.444 3.613 0 40 CHAB COc1cccc(NC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 100796301 XADCVSJYYXXUHF-VLXAULBPSA-N 288.391 3.641 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 2740238 KPRWHOCOWVZODI-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB Cc1ccc2cc3c(nc2c1)OCCN(c1ccccc1)C3 57467000 KYODBEIXKMOXDZ-UHFFFAOYSA-N 290.366 3.942 0 40 CHAB CNC[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 54588538 ZELGKUMJOLREBI-AEFFLSMTSA-N 267.372 3.589 0 40 CHAB O=S(=O)(/C=C/c1ccccc1)NC1CCCCCCC1 3333279 MAODCPWPFMHRSM-BUHFOSPRSA-N 293.432 3.690 0 40 CHAB Cc1cccc(/C=C(\Cl)c2cc(=O)n3ccccc3n2)c1 12598683 MHJSTCHEMAVBAZ-UVTDQMKNSA-N 296.757 3.740 0 40 CHAB C[C@H](N[C@H](C)c1cccc(Br)c1)C1CC1 35733359 TZTXPIVIGYUQSH-VHSXEESVSA-N 268.198 3.898 0 40 CHAB COc1cccc(CNc2cccc(-c3cnco3)c2)c1 37779559 FFBGEOJAIAKHHU-UHFFFAOYSA-N 280.327 3.962 0 40 CHAB Cc1cccc(-n2nc(-c3ccccc3C)cc2O)c1 10157377 CQBLLUSAGNRXRK-UHFFFAOYSA-N 264.328 3.862 0 40 CHAB O=C(NCc1nccc2ccccc12)Nc1ccccc1F 10262425 PCSUGTCNXCLJET-UHFFFAOYSA-N 295.317 3.696 0 40 CHAB O=C(COC(=O)C1CCC1)c1ccc(Cl)cc1Cl 3255230 UGLOAXVGDFAUCW-UHFFFAOYSA-N 287.142 3.519 0 40 CHAB C[C@H]1CCC[C@@H](C)N1CCN1[C@H](C)CCC[C@H]1C 114718903 RVIVTMWGPRUAIG-FPCVCCKLSA-N 252.446 3.512 0 40 CHAB C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)s1 36393562 PAHRYNSSPZJLBS-LURJTMIESA-N 289.187 3.874 0 40 CHAB Cc1ccc(NC(=O)CCc2ccccc2O)cc1Cl 11427136 FJCCBDFGAQPZTF-UHFFFAOYSA-N 289.762 3.925 0 40 CHAB CC(=O)N(c1nc(Cl)c(C=O)s1)c1ccccc1C 12818302 WFODCOMGMXXNSU-UHFFFAOYSA-N 294.763 3.602 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1Cl 63022130 FRAALWMJGHNPEQ-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB Nc1cccc(-c2nc(-c3ccccc3Cl)no2)c1 3882681 ONGIZTIVKDXDIB-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB COC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 6452836 JVYCRONNJCZXIH-UHFFFAOYSA-N 299.804 3.729 0 40 CHAB CCCCN(C(=O)c1cn2ccccc2n1)c1ccccc1 6657538 CKTUQNGMNJMNRA-UHFFFAOYSA-N 293.370 3.781 0 40 CHAB CCCCOc1ccc(NC(=O)c2ccco2)cc1 5951667 WTRLKDRESMHGFS-UHFFFAOYSA-N 259.305 3.711 0 40 CHAB Cc1n[nH]c(SCc2cccc3ccccc23)n1 18265424 UANPLHUXEGZCJF-UHFFFAOYSA-N 255.346 3.559 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(N)ccc1C 19736100 AMERBEJUQPQKQZ-KRWDZBQOSA-N 298.386 3.682 0 40 CHAB Cc1c(C(=O)NCCc2cccs2)oc2ccccc12 9457889 IFWYGILAGQXIQJ-UHFFFAOYSA-N 285.368 3.775 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)OC[C@@H]1C 95454862 CIEGLPHMFTWIRV-KBPBESRZSA-N 290.407 3.760 0 40 CHAB CCCCOCc1nn(C(C)C)cc1Br 408717336 YOVNDABDFZWHPA-UHFFFAOYSA-N 275.190 3.543 0 40 CHAB O=C(CC1CCCC1)N1CCC[C@H]1c1cccs1 33028517 IUDCOGHTTYAZDU-ZDUSSCGKSA-N 263.406 3.992 0 40 CHAB CC[C@H](C(=O)NCc1cc(C)oc1C)c1ccccc1 70640349 CNIXOQOLJJYZLB-INIZCTEOSA-N 271.360 3.706 0 40 CHAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1 38753819 UNWRSZWBCIFEOK-XETPBLJFSA-N 295.382 3.894 0 40 CHAB O=C(CCc1ccccc1F)NCCSC1CCCC1 46450969 MLNFJRONKHWXTB-UHFFFAOYSA-N 295.423 3.550 0 40 CHAB Cc1cc(Cl)ccc1C[C@@H](Oc1ccccc1)C(=O)O 225072948 LQWMMDCJBFZBOF-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB CCCCN[C@@H](CC)c1cccc(OC)c1OC 222637660 ZQFRGOZRANTIOF-ZDUSSCGKSA-N 251.370 3.545 0 40 CHAB Fc1cc(CNc2ccncc2F)c2ncccc2c1 192150867 MMVUOFAXFOYBOR-UHFFFAOYSA-N 271.270 3.520 0 40 CHAB O=C(C[C@@H]1CCCN1C(=O)c1cccs1)c1ccccc1 95409722 TUKVGJLEUIWEFG-AWEZNQCLSA-N 299.395 3.626 0 40 CHAB CCCCc1noc([C@@H](C)SCc2cc(C)no2)n1 96413051 CHMYIIJZJNBKGH-SNVBAGLBSA-N 281.381 3.703 0 40 CHAB Cc1cc(NCc2cccc(F)c2)nn1CC(C)C 256050983 HHCKTSXPQZGYOY-UHFFFAOYSA-N 261.344 3.599 0 40 CHAB Cc1sc(-c2cnccn2)nc1-c1ccccc1 48640720 YBGYHWYSOPYJFN-UHFFFAOYSA-N 253.330 3.576 0 40 CHAB CN(CC(=O)c1ccc(Cl)cc1)Cc1ccccc1 57497496 JRBKZWUVGVMEAX-UHFFFAOYSA-N 273.763 3.655 0 40 CHAB COCCCCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 71915260 XYWQAUQCTWRGER-HZPDHXFCSA-N 289.419 3.516 0 40 CHAB CC(C)COc1cc(C(=O)C(F)(F)F)cc(F)c1F 95732732 VNRQVAWNCKQDAO-UHFFFAOYSA-N 282.208 3.745 0 40 CHAB CSc1ccccc1[C@H](C)NCc1nccn1C(F)F 194872038 IMHUKZARRDCAAR-JTQLQIEISA-N 297.374 3.851 0 40 CHAB O=C(Cc1ccccc1Cl)N1CCC2(CC1)CC2(F)F 650599826 CUUKZURVIOQPIW-UHFFFAOYSA-N 299.748 3.530 0 40 CHAB CCN(Cc1ccccc1)c1cccc(NC(C)=O)c1 5139641 WHILCEOUZRONTD-UHFFFAOYSA-N 268.360 3.672 0 40 CHAB Cc1nc2c(c(Nc3cc(Cl)ccc3C)n1)CCC2 12016498 SEZRNOSGGZBKMD-UHFFFAOYSA-N 273.767 3.979 0 40 CHAB CCC(CC)C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 19500141 UVCOAWAMPMNZMA-HNNXBMFYSA-N 299.418 3.705 0 40 CHAB Cc1[nH]c2ccccc2c1SCC(=O)N1CCCCC1 2718314 USOQABIGFCXBDI-UHFFFAOYSA-N 288.416 3.581 0 40 CHAB Cc1cccc(NC(=O)Cc2cn(C)c3ccccc23)c1C 35588298 PHINBBNWAWSGPJ-UHFFFAOYSA-N 292.382 3.976 0 40 CHAB S=C(Nc1ccc2sncc2c1)NC1CCCC1 225171652 JFXASKKRRUDLHI-UHFFFAOYSA-N 277.418 3.525 0 40 CHAB CCc1ccc(C(=O)COCc2ccccc2)cc1 50159242 GVBVRHLEQCDDKL-UHFFFAOYSA-N 254.329 3.649 0 40 CHAB CN1C(=O)S/C(=C\Nc2ccc(C(C)(C)C)cc2)C1=O 100264452 UYGUZVPPQFQMSZ-XFXZXTDPSA-N 290.388 3.563 0 40 CHAB COCc1nc2ccccc2n1Cc1ccc(Cl)cc1 246920 TYRPVEQXQGXVSB-UHFFFAOYSA-N 286.762 3.884 0 40 CHAB Nc1ccccc1Oc1ccccc1Br 28151 RPVHFIMBVPJZMB-UHFFFAOYSA-N 264.122 3.824 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1 29952 KDJJNWSOZMEYKT-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCOc1cccc(CNc2cc(C(=O)O)ccc2C)c1 20881182 FWBFLKCIEXYAEO-UHFFFAOYSA-N 285.343 3.704 0 40 CHAB O=C(CCC1CCCCC1)OCCOc1ccccc1 1586585 BTTFRQZCOGUEOJ-UHFFFAOYSA-N 276.376 3.969 0 40 CHAB CCC[C@@H]1CCC[C@@]1(CC(=O)c1ccccc1)C(=O)O 1600820 YZRADSRLGWRTPH-PBHICJAKSA-N 274.360 3.931 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)c1ccccc1O 1612528 JMZFUXBAVHJPAJ-UHFFFAOYSA-N 265.312 3.689 0 40 CHAB CCCc1cc(C(=O)Nc2ccc3ccccc3c2)n(C)n1 385574 SWFVEUKLWIDOAK-UHFFFAOYSA-N 293.370 3.778 0 40 CHAB Cc1ccccc1NCCC(=O)NC1CCCCCC1 32666403 NLCPSVCWXGFAQK-UHFFFAOYSA-N 274.408 3.636 0 40 CHAB C[C@@H](CCc1ccco1)NC(=O)N[C@H]1CCc2ccccc21 32795206 UGEPHLDLEAMXBE-GUYCJALGSA-N 298.386 3.587 0 40 CHAB CCC(=O)O[C@@H]1C[C@@H](C)N(C(=O)CC)c2ccc(C)cc21 6461875 LCMYMLGTHSOTRB-IUODEOHRSA-N 289.375 3.525 0 40 CHAB CCNC(=O)Nc1ccccc1Sc1ccccc1 6463135 JSYRYHRWNGSUFR-UHFFFAOYSA-N 272.373 3.979 0 40 CHAB Cc1cccc2sc(NC(=O)CC(C)(C)C)nc12 7725232 SCRQSECAAMYZSM-UHFFFAOYSA-N 262.378 3.979 0 40 CHAB CC(=O)c1c(C)oc2c(Cl)c(Cl)c(O)cc12 501706 UTDCJIBLWUZSIT-UHFFFAOYSA-N 259.088 3.956 0 40 CHAB Cc1ccc(OCc2nc(-c3cccs3)no2)cc1 20807772 HBLLMPZSKYPUFQ-UHFFFAOYSA-N 272.329 3.686 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1cccc(Cl)c1 9868431 RJNWKCZGDGKVTB-DOMZBBRYSA-N 294.826 3.760 0 40 CHAB CCOC(=O)Nc1nc(-c2ccc(F)cc2)cs1 998404 MPFUGLFCQFTLEL-UHFFFAOYSA-N 266.297 3.518 0 40 CHAB CC[C@H](NCc1cccnc1)c1ccc(OC(F)F)cc1 89947820 LEKLIHAZYSBIDE-HNNXBMFYSA-N 292.329 3.924 0 40 CHAB Cc1cc(C)cc(N[C@H](C(=O)NC2CC2)c2ccccc2)c1 12555100 XTBRFCQVAOCEFM-SFHVURJKSA-N 294.398 3.735 0 40 CHAB CCCn1nccc1C(=O)Nc1cccc(Cl)c1Cl 28239502 CPEMWQNUHCWZSK-UHFFFAOYSA-N 298.173 3.852 0 40 CHAB CCOC(=O)c1ccc(CNc2nc3ccccc3o2)cc1 57141257 VTRNQLOIWFDFIL-UHFFFAOYSA-N 296.326 3.617 0 40 CHAB CCCCOc1ccc(/C=C/C(=O)OC(C)C)cc1OC 58833596 SYZXXMADPKEJMX-CSKARUKUSA-N 292.375 3.839 0 40 CHAB CCC[C@@H](NC(=O)CCc1ccccc1O)c1ccccc1 21928931 WBFWRZOGLVJNTM-QGZVFWFLSA-N 297.398 3.982 0 40 CHAB Cc1c(C(=O)N2CCOC23CCCCC3)oc2ccccc12 35671071 MADGDPYTYKMEGJ-UHFFFAOYSA-N 299.370 3.874 0 40 CHAB CCCCCC(=O)NC(=S)Nc1cccc(Cl)c1 2052115 DFYYMRJIPDVEMS-UHFFFAOYSA-N 284.812 3.733 0 40 CHAB Clc1ccccc1Nc1nnc(-c2cccnc2)o1 27753360 CZCPQWVSIVYVIC-UHFFFAOYSA-N 272.695 3.529 0 40 CHAB Cc1ccc(S[C@H]2C[C@@H]3C[C@@H]2[C@H]2COC[C@H]32)cc1 104318787 XSAZNZTYQKMUAB-LNNMMNKASA-N 260.402 3.758 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 48325081 FARYUCXMWIKSGX-BXUZGUMPSA-N 299.336 3.943 0 40 CHAB CCCC[C@H](CCC(=O)Nc1ccc(C)cc1)C(=O)O 26807717 YXDXZFJFUPGYAW-CYBMUJFWSA-N 277.364 3.605 0 40 CHAB C[C@@H](NC(=O)NC1CCCC1)c1ccc(Cl)s1 13744946 NITMDVOICRJBOL-MRVPVSSYSA-N 272.801 3.704 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n1 5101527 DGGPEHMXEFZMCG-VIFPVBQESA-N 296.392 3.710 0 40 CHAB N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 8710248 MWNJYDIIEMBKTE-CYBMUJFWSA-N 291.276 3.630 0 40 CHAB CN(C)[C@@H](c1ccccc1)[C@H](c1ccccc1)N(C)C 39934033 MYLJZKKJRGGLPH-ROUUACIJSA-N 268.404 3.592 0 40 CHAB CCOc1ccccc1C(=O)Nc1ccc2ncccc2c1 60789023 WGYMWQGXTXWPQU-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB CCCC[C@H](CC)C(=O)Oc1ccc(OC)cc1 4659210 GNPJCHNALOHFRW-LBPRGKRZSA-N 250.338 3.817 0 40 CHAB Cc1ccc(NC(=O)Cc2ccsc2)c(Cl)c1 5637286 JSXFLDRAKLUYOE-UHFFFAOYSA-N 265.765 3.891 0 40 CHAB CC1(C)Cc2nc(-c3ccccc3)[nH]c(=S)c2CO1 5902937 XZUZAKIBFYDMJL-UHFFFAOYSA-N 272.373 3.657 0 40 CHAB Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1C 7637792 MWKSYSLDLKYVSB-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB O=C(CSc1ccccc1O)Nc1ccc2[nH]ccc2c1 95451640 BPCBRUWPIVDZDM-UHFFFAOYSA-N 298.367 3.604 0 40 CHAB S=C(NCc1ccc(Cl)cc1)c1ccccc1 408576759 QYYLQKAAABRPRQ-UHFFFAOYSA-N 261.777 3.805 0 40 CHAB CC(C)(C)c1cc(N)n(-c2ccc(C(F)(F)F)cc2)n1 41440501 NYNJONFPURUEAI-UHFFFAOYSA-N 283.297 3.771 0 40 CHAB O=C(Nc1cc(-c2ccccn2)no1)c1ccc(Cl)cc1 65152819 JKRZDSPASQBUSU-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB O=C(c1ccc(F)cc1F)C(Cl)(Cl)Cl 306339609 VSEKWXSYUCPDKI-UHFFFAOYSA-N 259.466 3.518 0 40 CHAB Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccnc2)cc1 32837438 WEEOHVFVIXBYPX-MRXNPFEDSA-N 281.359 3.759 0 40 CHAB O[C@@H](c1ccsc1)c1sccc1Br 34122900 VSRNBUJQMCRURT-QMMMGPOBSA-N 275.192 3.654 0 40 CHAB Cn1cc(-c2ccnc(N3CCCCC3)n2)c2ccccc21 32102912 KTJYFLSSHWRSQZ-UHFFFAOYSA-N 292.386 3.626 0 40 CHAB COC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1 70461554 YCCGWUZYSZFPTN-UHFFFAOYSA-N 286.718 3.670 0 40 CHAB COc1ccc(OC)c(C(=O)c2ccc(F)c(Cl)c2)c1 62791746 YSEMRNNNTJOESF-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 40023456 CZSMTMLYCSHLIO-MAUKXSAKSA-N 285.431 3.822 0 40 CHAB COc1cc(CN2CCCC2)ccc1OCc1ccccc1 199404991 KAUCYAWOFKLHRG-UHFFFAOYSA-N 297.398 3.870 0 40 CHAB O=C(CCc1ccsc1)Nc1ccccc1-n1cccn1 40133802 XXOBJTXWYQYVLE-UHFFFAOYSA-N 297.383 3.505 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc(C)cc1 95115879 YGLCXAYPUROBHE-MRXNPFEDSA-N 284.384 3.754 0 40 CHAB O=C(c1ccc(F)c(F)c1)C(Cl)(Cl)Cl 78644841 CVPLCMQOESBEFD-UHFFFAOYSA-N 259.466 3.518 0 40 CHAB COc1ccc([C@@H]2COc3cc(Cl)ccc3N2)cc1 96531218 NANOZLHHEZQJLM-AWEZNQCLSA-N 275.735 3.894 0 40 CHAB Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 260801712 LJTRNDLBJJZLJN-OFQRWUPVSA-N 257.377 3.530 0 40 CHAB O=C(O)[C@H]1CCCCc2c1[nH]c1ccc(Cl)cc21 575319668 FGESULDXYXMYPT-JTQLQIEISA-N 263.724 3.716 0 40 CHAB O[C@H](CC1CC1)C1(c2ccc(Cl)cc2)CCC1 575411039 XNGJQZWNVSUBOW-CQSZACIVSA-N 250.769 3.923 0 40 CHAB O=c1oc2cc(O)ccc2cc1-c1cccc(Cl)c1 58095 NRSYNYFTCOANQY-UHFFFAOYSA-N 272.687 3.819 0 40 CHAB biogenic,in-vitro Cc1cccc(C(=O)COc2ccc(Cl)cc2Cl)n1 2780131 HWJVZHLAXWZPAS-UHFFFAOYSA-N 296.153 3.959 0 40 CHAB O=C(c1cccc(Cl)c1)N1CCC2(CC1)CC2(F)F 650599029 AMUDYUHJQBCWDG-UHFFFAOYSA-N 285.721 3.601 0 40 CHAB O[C@@H](/C=C/c1ccccc1)CCN1CC[C@@H]2CC[C@@H](C2)C1 17378387 JYGDXORVNYESLN-MRUBZEKTSA-N 285.431 3.573 0 40 CHAB C[C@@H](Cc1ccccc1)NC/C=C\c1ccccc1 207682734 NMMSKGCUFGCREC-RQPMMQJISA-N 251.373 3.921 0 40 CHAB CC(=O)c1cccc(NC(=O)N(C)Cc2ccccc2)c1 1741616 XCZAACZHIUZQNO-UHFFFAOYSA-N 282.343 3.553 0 40 CHAB O=[S@@](Cc1ccccc1)c1nc2ccccc2s1 4978102 XBIUSTQGIGMYMQ-GOSISDBHSA-N 273.382 3.604 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20493109 FIYDSMXTKLVZQX-ZIAGYGMSSA-N 277.408 3.882 0 40 CHAB COc1ccc2ccc(C)cc2c1Br 98192246 LEMBDJAUROUMMG-UHFFFAOYSA-N 251.123 3.919 0 40 CHAB CCOC(=O)Cc1cccc(Oc2ccccc2)c1 39239578 SAXAKBZGZUALJN-UHFFFAOYSA-N 256.301 3.585 0 40 CHAB Cc1nc(=S)c2c3c(sc2[nH]1)C[C@H](C)CC3 87605 STYHHWUIXZJFSZ-ZCFIWIBFSA-N 250.392 3.787 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC(Cc2ccccc2)CC1 40160332 JGCYXEXWKCTYTB-SFHVURJKSA-N 283.415 3.824 0 40 CHAB C[C@H](CCc1ccccc1)Nc1nc(Cl)nc(Cl)n1 246982 WUFDCNKXMJXAKY-SECBINFHSA-N 297.189 3.612 0 40 CHAB CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 36964424 KZCLMPBOAUMQHB-UHFFFAOYSA-N 280.327 3.564 0 40 CHAB O=C(CN1CCCCC1)c1ccc(Cl)c(Cl)c1 1666049 SALRBZLLFNJXQK-UHFFFAOYSA-N 272.175 3.662 0 40 CHAB O=C(NCCc1cccs1)c1cccc2ccccc12 21475152 IHPSZTRBMZCTNZ-UHFFFAOYSA-N 281.380 3.874 0 40 CHAB Nc1ccccc1N1CCC(Cc2ccccc2)CC1 7460674 BWCLECGAOAWVIM-UHFFFAOYSA-N 266.388 3.728 0 40 CHAB Cc1nc2ccccc2cc1C(=O)NCc1ccc(F)cc1 2628637 PTOPTRCCEANYML-UHFFFAOYSA-N 294.329 3.612 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)NCc1ccccc1 32924031 VFKKUVDXRWMLLF-UHFFFAOYSA-N 274.389 3.505 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2C(=O)c1ccccc1 100367439 IVDVAMTYPIOUEQ-IIYDPXPESA-N 256.345 3.511 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cccnc1Cl 579877 JLINVMJHQABVAX-CYBMUJFWSA-N 290.750 3.531 0 40 CHAB CCc1ccccc1NC(=O)c1sc(C)nc1C 23654063 SVKOJDFSCIUNRF-UHFFFAOYSA-N 260.362 3.575 0 40 CHAB Cc1ccc(-c2csc(-n3nc(C)cc3C)n2)cc1 1020538 HBLFVVKQMVATJR-UHFFFAOYSA-N 269.373 3.921 0 40 CHAB Cc1cc(SCc2nc3ccccc3o2)nc(C)n1 24567939 MJPIYFVEWKNPPJ-UHFFFAOYSA-N 271.345 3.527 0 40 CHAB c1ccc(COC2CCN(Cc3ccccc3)CC2)cc1 34759649 NMBJDLXKQWESDE-UHFFFAOYSA-N 281.399 3.868 0 40 CHAB CC[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 1456493 GXTSWWDMSKFFDF-CQSZACIVSA-N 267.372 3.938 0 40 CHAB Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 57561402 RHZXGTWLOBFOPO-QGZVFWFLSA-N 280.371 3.676 0 40 CHAB Cc1cn2nc(N3CCC[C@H]3CC(C)(C)C)sc2n1 57831215 POBXWLLRWRDSSC-NSHDSACASA-N 278.425 3.504 0 40 CHAB O=C(NC1CCCC1)c1ccc(C(=O)c2ccccc2)cc1 3334246 NYSMFZZUAVRFCZ-UHFFFAOYSA-N 293.366 3.590 0 40 CHAB CC1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 20238702 REFGQUMPKCJMHM-CQSZACIVSA-N 277.433 3.567 0 40 CHAB Cc1csc(SCC(=O)Nc2c(C)cccc2C)n1 3413822 JRJHNWFUELQBCD-UHFFFAOYSA-N 292.429 3.799 0 40 CHAB CCc1cccc(NC(=O)CC2(C(=O)O)CCCCC2)c1 13249245 NRYSMVNLSFKWMV-UHFFFAOYSA-N 289.375 3.613 0 40 CHAB Cc1ccc([C@@H](O)c2cc(F)c(F)c(F)c2)s1 63008363 BQNSGEXYYILSKG-LBPRGKRZSA-N 258.264 3.556 0 40 CHAB CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 6638414 UGFRTBUZGGOXRT-UHFFFAOYSA-N 281.355 3.756 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1ccsc1C(=O)OC 5793061 AAHIBWMYHDKUIL-SNVBAGLBSA-N 283.393 3.690 0 40 CHAB Cc1cccc(C)c1NC(=O)CN1c2ccccc2C[C@@H]1C 6821013 SUEXERYTHVTREM-HNNXBMFYSA-N 294.398 3.693 0 40 CHAB O=C(NCc1ccccc1F)c1ccc(Cl)cc1F 15606983 VRQPKIFYDFRWKE-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB O=C1CCc2c(Oc3ncnc4sccc34)cccc21 8852831 LZESZSIJQYBEQX-UHFFFAOYSA-N 282.324 3.613 0 40 CHAB CN(Cc1ccccc1)c1ccc(Br)cc1N 19485311 GADJLRYTSKBGGY-UHFFFAOYSA-N 291.192 3.668 0 40 CHAB CSc1cccc(C(=O)c2ccc(F)c(F)c2)c1 71790489 HGVQDQGTXQKHMT-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB in-vitro CCC(C)(C)NC(=O)Cc1nc(-c2ccsc2)oc1C 71862871 BJMGBFVIJGVRQY-UHFFFAOYSA-N 292.404 3.559 0 40 CHAB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)cc(C)c1O 96669516 ZWEMEAKTMQJOIH-XNTDXEJSSA-N 279.339 3.526 0 40 CHAB C[C@H](NCc1cc[nH]c1)c1ccccc1Br 72302962 SXSHQFHMFUZTTD-JTQLQIEISA-N 279.181 3.628 0 40 CHAB Cc1ccc(CNc2cccnc2-n2ccnc2C)c(C)c1 95352903 JYCFBRTWQJGPPJ-UHFFFAOYSA-N 292.386 3.805 0 40 CHAB Cc1ncsc1CNc1cc(C(C)C)nn1C(C)C 95988591 ZLPSKJRVNMRZOG-UHFFFAOYSA-N 278.425 3.964 0 40 CHAB CC(C)(C)OC(=O)n1cnc2cc(Br)ccc21 89157293 PCGSIEGOWZACDD-UHFFFAOYSA-N 297.152 3.582 0 40 CHAB in-vitro CC(=O)c1c(F)cc(F)cc1OCc1sc(C)nc1C 89559257 IPAXGOMISIJFMF-UHFFFAOYSA-N 297.326 3.820 0 40 CHAB CC(C)(C)n1cc(C(=O)OC2(c3ccccc3)CCC2)cn1 89761592 JUJICWJQELJSST-UHFFFAOYSA-N 298.386 3.874 0 40 CHAB CC(C)c1nsc(N[C@@H]2CCOC3(CCCC3)C2)n1 89893723 UUBKJXHZIPHDLM-LLVKDONJSA-N 281.425 3.565 0 40 CHAB CCCCCNC(=O)Nc1cccc(Cl)c1F 32862273 FSQUOAZMRDMYHA-UHFFFAOYSA-N 258.724 3.791 0 40 CHAB O=C1CCC/C(c2ccccc2)=N/N=C1c1ccccc1 31792739 XJRSREDVZTWBEL-PAHCTCEQSA-N 276.339 3.633 0 40 CHAB O=C(c1c(F)cccc1F)N1CC[C@@H](c2ccsc2)C1 675008233 KTLICJMHAZRMSD-SNVBAGLBSA-N 293.338 3.656 0 40 CHAB CCCCO[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225089787 JZNMNVDLOAPOPH-LBPRGKRZSA-N 291.174 3.806 0 40 CHAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)nc1 225474977 HWTPYMIYFJQFLC-LLVKDONJSA-N 289.379 3.577 0 40 CHAB C[C@H]1CCCCN1c1ccc(NC(=O)C(C)(C)C)cc1N 226262822 VZYMGYKGTMWPBQ-LBPRGKRZSA-N 289.423 3.632 0 40 CHAB COCc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC 224395339 PEOROBNPALXBCU-UHFFFAOYSA-N 299.370 3.711 0 40 CHAB Cc1ccc(-c2nc(C)c(-c3ccn[nH]3)s2)cc1 43798966 OWUYIJUAGSAJFL-UHFFFAOYSA-N 255.346 3.817 0 40 CHAB in-vitro CNc1ccc(Cc2ccc3nc(N)sc3c2)cc1 199798197 PBJRQXNONDYOKX-UHFFFAOYSA-N 269.373 3.511 0 40 CHAB Cc1cc(C)c(C[C@H](Oc2ccccc2C)C(=O)O)c(C)c1 225135649 CPUXYBWGPZIJPC-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CCc1nnc(CNc2c(C)cccc2C(C)C)o1 85288089 YCJKXYGNQMWLBV-UHFFFAOYSA-N 259.353 3.676 0 40 CHAB O=C(NCCn1cccc1)Nc1ccc(Cl)c(Cl)c1 226823438 XYDZIHMKAGSKMF-UHFFFAOYSA-N 298.173 3.617 0 40 CHAB Clc1cc(-c2cccc(Br)c2)no1 84192731 CRPHDCBCJNEWBN-UHFFFAOYSA-N 258.502 3.758 0 40 CHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225603774 HZCBRCRWOINYDA-QGZVFWFLSA-N 293.407 3.783 0 40 CHAB CCn1cc(C(=O)Nc2c(C)ccc3ccccc23)cn1 95417367 YZVVOSMHVVNELE-UHFFFAOYSA-N 279.343 3.617 0 40 CHAB CC(C)C(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96114463 VSAWGSGADATSMJ-CYBMUJFWSA-N 290.794 3.971 0 40 CHAB biogenic CCC(=O)Nc1nnc(Cc2cccc3ccccc23)s1 95116301 FKZLRRRRUMVNBT-UHFFFAOYSA-N 297.383 3.631 0 40 CHAB Nc1cccc(OCc2csc(C3CCC3)n2)c1 96528648 JSFSKOCHNMMMRM-UHFFFAOYSA-N 260.362 3.572 0 40 CHAB Cc1cc(C(=O)c2ccc3c(c2)OCO3)ccc1Cl 95916516 KSTPITKMLKLGDX-UHFFFAOYSA-N 274.703 3.608 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]2CCCC[C@H]21 52897094 RZJBWGQQYACRSM-RDTXWAMCSA-N 296.414 3.892 0 40 CHAB O=C(Cc1cccs1)c1cccc(F)c1Cl 165263953 FJOYQGWIIYZWDM-UHFFFAOYSA-N 254.713 3.966 0 40 CHAB C[C@@H]1OCC[C@H]1Nc1ccc(Cl)c(Br)c1 96034113 QVFDBRTYZDSBRA-WRWORJQWSA-N 290.588 3.692 0 40 CHAB CCc1cc2c(c3ccccc13)CC[C@](C)(C(=O)OC)C2=O 5539975 ZOWHOUDAZSMCSL-IBGZPJMESA-N 296.366 3.710 0 40 CHAB CC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2C)c1 5268112 DKLIDGXSVIGBQN-UHFFFAOYSA-N 281.355 3.687 0 40 CHAB Nc1nc(-c2ccccc2)c(-c2nc3ccccc3[nH]2)s1 12969038 BWUMAOIQWYTEFV-UHFFFAOYSA-N 292.367 3.936 0 40 CHAB CC(C)c1n[nH]c(=S)n1[C@H]1CCc2ccccc21 15109597 NODWBLXCLBYSOZ-LBPRGKRZSA-N 259.378 3.600 0 40 CHAB COc1ccc(CNc2ccccc2Cl)cc1OC 8164797 TWVBDQSOXWXHPI-UHFFFAOYSA-N 277.751 3.969 0 40 CHAB Clc1ccc2oc(N3C[C@H]4CCC[C@H]4C3)nc2c1 1889119576 MVCITRUBETZKFP-AOOOYVTPSA-N 262.740 3.718 0 40 CHAB Cc1cn(C)c([C@H]2CCCN2Cc2ccc3[nH]ccc3c2)n1 1848352202 CPZOJDIKAIOAGF-QGZVFWFLSA-N 294.402 3.547 0 40 CHAB COC(=O)CCc1c[nH]c2ccc(Cl)c(Cl)c12 259589190 ZNYXXLTZWOGVDT-UHFFFAOYSA-N 272.131 3.580 0 40 CHAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 36734209 HLFHAVGQWFRQSS-UHFFFAOYSA-N 299.161 3.977 0 40 CHAB CC(=O)N(Cc1ccncc1)c1cccc2ccccc12 287870 OLKMKOUVDNRJBT-UHFFFAOYSA-N 276.339 3.788 0 40 CHAB O=C(OCc1cc(-c2cc3ccccc3o2)on1)C1CC1 16838670 HXXOCZJHTKGSTB-UHFFFAOYSA-N 283.283 3.541 0 40 CHAB c1nc(N2CC[C@@H](c3ccsc3)C2)c2sccc2n1 1775972631 OGNFSYMDSKBGLY-SNVBAGLBSA-N 287.413 3.747 0 40 CHAB CC[C@H](Sc1ccccc1NC(=O)[C@H](C)CC)C(=O)O 8732868 MMJADUJNIUOJJG-PWSUYJOCSA-N 295.404 3.627 0 40 CHAB Fc1ccc(CSc2nncs2)c2ncccc12 40081862 BIGVSKMZMZQHDP-UHFFFAOYSA-N 277.349 3.518 0 40 CHAB Cc1cc([C@@H](C)NC(=O)c2cccs2)c(C)s1 31951757 HIXUQKJPGJTJHN-SECBINFHSA-N 265.403 3.917 0 40 CHAB Cc1cc(C)cc(C(=O)c2cccc(CN3CC=CC3)c2)c1 2515402 YEOUVXNYOFOKKU-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB C[C@@](Cc1ccccc1)(C(=O)O)c1ccc(Cl)cc1 11732618 PMJKCHLLQFYGJA-INIZCTEOSA-N 274.747 3.925 0 40 CHAB CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 1016980 OFZIMGIJJQYXAB-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB O=c1oc2ccccc2c2c1S[C@@H](c1ccncc1)C2 1585398 XOZGNWLANISQOQ-CQSZACIVSA-N 281.336 3.578 0 40 CHAB O=c1c(-c2ccccc2)c(Cl)c2cccc3c2n1CC3 344115 SQFZKKSAGGNBRH-UHFFFAOYSA-N 281.742 3.878 0 40 CHAB Cc1ccc(C)c(NC(=O)c2c(Cl)nc3ccccn23)c1 4950241 OEVXXAITCGZDKA-UHFFFAOYSA-N 299.761 3.857 0 40 CHAB CCONC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 32848299 RQGWHRJMXWASES-LLVKDONJSA-N 281.421 3.580 0 40 CHAB Cc1cc(C)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2n1 480234 RUIWLAPFCMHMAV-UHFFFAOYSA-N 298.773 3.715 0 40 CHAB O=Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 57958612 NSZGXFSPEWIZLC-UHFFFAOYSA-N 257.676 3.961 0 40 CHAB O=C(Cc1noc2ccccc12)Nc1ccccc1Cl 1018166 BNWZTOQDXSUCLS-UHFFFAOYSA-N 286.718 3.662 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)o1 105921768 GZIDGWCEDDCBQF-BOLLKYHISA-N 273.376 3.542 0 40 CHAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccncc1 56500738 TUXYRZGKVDVAHB-MRXNPFEDSA-N 281.359 3.759 0 40 CHAB CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 1644893 JDPMXQFVFSMNLV-UHFFFAOYSA-N 276.308 3.946 0 40 CHAB CC(C)Sc1ccccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 107521610 CCXHZRFOHGDBEH-MBNYWOFBSA-N 291.416 3.693 0 40 CHAB CCCOc1ccc(C(=O)O)c(OCc2ccccc2)c1 35414218 ITOIQHPSDKKREF-UHFFFAOYSA-N 286.327 3.753 0 40 CHAB in-vitro O=C(NCc1ccco1)c1cc2c(ccc3ccccc32)[nH]1 44287807 IKUOIIBOEMQECU-UHFFFAOYSA-N 290.322 3.844 0 40 CHAB C[C@@H]1CCN(C(=O)c2ccccn2)c2ccccc2S1 12980681 LCJZMHXPSCTDAA-GFCCVEGCSA-N 284.384 3.613 0 40 CHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1CCCCC1 3607465 QNRMJCMFCPZIJT-LBPRGKRZSA-N 295.810 3.865 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 4011728 ITAAODZSCWETAN-XKQJLSEDSA-N 265.356 3.668 0 40 CHAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccoc1 18183260 FXCWBIBCWAYMST-UHFFFAOYSA-N 278.720 3.795 0 40 CHAB Cc1ccccc1OCCCCNCc1ccco1 8753718 FHIIVXXQRVOAMX-UHFFFAOYSA-N 259.349 3.537 0 40 CHAB Cn1cc(/C=C(\Cl)c2nc3ccccc3s2)cn1 14179743 JBAGWFBLDPJZOY-POHAHGRESA-N 275.764 3.767 0 40 CHAB CCc1ccc(NC(=O)c2ccc(F)cc2F)cc1 5699996 BKEBJCVZTGWHCG-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1 7968729 UEXWNNARODOPMT-UHFFFAOYSA-N 285.368 3.692 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccccc1-c1ccccc1 9499778 OKWGKZSFNMSVHZ-SWLSCSKDSA-N 251.329 3.948 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C[C@@H]1c1ccco1 71834972 ULCFTQGTDPGGAQ-KGYLQXTDSA-N 287.384 3.591 0 40 CHAB CC(C)(C)N(Cc1ccccc1)C(=O)CC1CCOCC1 97110891 RFPHTVZJHLYEKI-UHFFFAOYSA-N 289.419 3.630 0 40 CHAB COc1ccc2[nH]cc(C(=O)c3ccc(F)cc3F)c2c1 37364269 IGASQKQZCYQKGK-UHFFFAOYSA-N 287.265 3.686 0 40 CHAB CC(=O)N1CCC[C@@H]1c1cccnc1NC1CCCCC1 72214011 GCNASWILRRCXCK-MRXNPFEDSA-N 287.407 3.510 0 40 CHAB CCOC(=O)NCCCc1cccc2ccccc12 78582364 VTVVRZKCIIIUCZ-UHFFFAOYSA-N 257.333 3.519 0 40 CHAB CC[C@H](NC(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2 32983837 YUDKZQSXRMIUBX-QBNKABOXSA-N 298.430 3.806 0 40 CHAB CCC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72229832 YXSZGKKYBSOMPJ-INIZCTEOSA-N 289.762 3.770 0 40 CHAB CC(C)n1cnnc1SCc1ccccc1Cl 39565363 FYLSHVUDSKFOFN-UHFFFAOYSA-N 267.785 3.805 0 40 CHAB O[C@@H](c1ccccc1)c1ccc(Oc2ccccc2)nc1 72225181 HNTKAZRCWHELFD-SFHVURJKSA-N 277.323 3.956 0 40 CHAB CSc1ccc([C@H]2CCCN2CC(C)C)cn1 72216884 GUVOPQBEKLDFGV-CYBMUJFWSA-N 250.411 3.596 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223827147 NAQBWLVRLYVERG-CXAGYDPISA-N 289.419 3.638 0 40 CHAB CC(=O)Nc1ccc(NC2CCSCC2)c(Cl)c1 95981694 QWENCHOMEZZLAW-UHFFFAOYSA-N 284.812 3.606 0 40 CHAB Cc1cc(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)ccc1Cl 95634124 IXJPMLMGPPJUGB-RYUDHWBXSA-N 280.751 3.722 0 40 CHAB Cc1cccc(S(=O)(=O)[C@@H](C)c2ccccc2)c1 77647131 IPBBMQPGCJQJJH-ZDUSSCGKSA-N 260.358 3.530 0 40 CHAB CCC[C@@H](C)NC(=O)CCSCc1ccccc1 13688100 DTMZXXOENUIXJY-CYBMUJFWSA-N 265.422 3.615 0 40 CHAB COc1ccc(NC(=O)Nc2cccc3ccccc23)cn1 11007723 ASXSPJOVXDJWDI-UHFFFAOYSA-N 293.326 3.887 0 40 CHAB CCOC(=O)/C(=C/c1ccc(Cl)cc1)N(CC)CC 5810982 SDUDDSUANBGCCP-KAMYIIQDSA-N 281.783 3.586 0 40 CHAB Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 19736685 UOWZPFVZIPKJMW-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB COc1ccc([C@H]2CCCCN(C(=O)C=C(C)C)C2)cc1 206883758 LKAOBZHIGFQGQB-INIZCTEOSA-N 287.403 3.758 0 40 CHAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccccc1 32027824 GUDDMGIPGXYTOY-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(F)ccc1F 37108897 IAMGFNGSPYKABR-JTQLQIEISA-N 273.282 3.556 0 40 CHAB CCCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 40946594 RBVMBKFBKVIDPL-CYBMUJFWSA-N 277.408 3.668 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C(=O)C2 118932316 SPJUEQDDFYWVQF-MAAVVYDCSA-N 290.447 3.959 0 40 CHAB Cc1cs/c(=N/[C@@]2(C)[C@H]3CC[C@@H](C3)C2(C)C)o1 100697612 HGVTVYHFXJHDNH-ZPHLCZOISA-N 251.395 3.765 0 40 CHAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCc1ccco1 40069674 YOUKBZMCKWXWQU-GJZGRUSLSA-N 277.408 3.933 0 40 CHAB CSc1ccc(CN(C)C(=O)c2cccs2)cc1 40159573 ULLOLDUFSIYWEI-UHFFFAOYSA-N 277.414 3.742 0 40 CHAB O=C(Oc1ccc(Br)cc1)c1cccs1 2594652 BGQQTADIYBLIEV-UHFFFAOYSA-N 283.146 3.730 0 40 CHAB CCSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 422574 MRDIEILGPYEOOX-UHFFFAOYSA-N 297.383 3.752 0 40 CHAB CC[C@]12CC(=O)CC[C@@H]1CCc1ccc(OC)c(OC)c12 1595201 MHYADKSVNGNATR-UGSOOPFHSA-N 288.387 3.667 0 40 CHAB CCC[C@H]1CCC[C@@]1(CC(=O)c1ccccc1)C(=O)O 1600819 YZRADSRLGWRTPH-YOEHRIQHSA-N 274.360 3.931 0 40 CHAB O=C(/C=C/c1ccco1)Nc1cc(Cl)c(O)c(Cl)c1 378296 VVOIQWYCOBWHNQ-ONEGZZNKSA-N 298.125 3.944 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2cccs2)on1 2602357 KJKMKRVNJOPISC-LLVKDONJSA-N 290.388 3.808 0 40 CHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3C(=O)[C@H](C)CC[C@@H]32)C1 4028254 GOCNYSCJLWRRBG-XGJAGSQMSA-N 290.403 3.670 0 40 CHAB O=C(Nc1ccccc1)c1ccc(Br)cc1F 4070177 JUCJSWRMLZYIGW-UHFFFAOYSA-N 294.123 3.841 0 40 CHAB CSC(=N)C(F)(F)C(F)(F)C(F)(F)C(=N)SC 4620652 GXOBSHMKVOXUAJ-UHFFFAOYSA-N 298.277 3.573 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)N1CCc2ccccc21 10448996 OCFGNBPWWKCQEE-CYBMUJFWSA-N 283.396 3.757 0 40 CHAB CC(C)(C)CC(=O)NCCc1ccccc1Br 61283932 IUEGRCDXKCQPGD-UHFFFAOYSA-N 298.224 3.544 0 40 CHAB O=C(OCc1ccccn1)c1ccc(-c2ccc(F)cc2)o1 23030682 BOYIFASQAJOHCN-UHFFFAOYSA-N 297.285 3.838 0 40 CHAB CCCCCNC(=O)NCC1(c2ccccc2)CCC1 24974456 XESYJFOYTXLCEL-UHFFFAOYSA-N 274.408 3.598 0 40 CHAB O=C(/C=C/c1cccc(Cl)c1)NC(C1CC1)C1CC1 25155187 TUGCEOWZDLFONX-RUDMXATFSA-N 275.779 3.658 0 40 CHAB Cc1ccc(OC[C@@H](C)NC(=O)Nc2ccccc2)cc1 67004216 XCGQGXCVFUCJLY-CQSZACIVSA-N 284.359 3.584 0 40 CHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2C)cc1 23524744 HOSQCUOGSSBVBC-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB CC1CCN(Cc2coc(-c3ccccc3)n2)CC1 58175369 FIHJMMDKAMVBIG-UHFFFAOYSA-N 256.349 3.574 0 40 CHAB CCc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)sc1C 67998886 GLGMOOBMGAJPEK-NSHDSACASA-N 288.416 3.847 0 40 CHAB O=C(Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 3885189 ZMPOFUBYVROQLI-UHFFFAOYSA-N 270.719 3.642 0 40 CHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCC[C@@H](C)C1 7787475 KGAQXFONLOFKIA-CABCVRRESA-N 296.414 3.899 0 40 CHAB O=C(Cc1ccc2ccccc2c1)NC1CCCCC1 13520667 MZDBGODJCIINON-UHFFFAOYSA-N 267.372 3.831 0 40 CHAB CCC(C)(C)NC(=O)Cc1nc(-c2cccs2)oc1C 65412381 PXJKRLPBDWZAIT-UHFFFAOYSA-N 292.404 3.559 0 40 CHAB Cc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1F 9882343 UKBNUKAOBQKFKL-UHFFFAOYSA-N 285.318 3.736 0 40 CHAB Cc1cccc(CN[C@@H]2CC(C)(C)Cc3occc32)n1 97016573 YFFFFTVHTZUEJG-OAHLLOKOSA-N 270.376 3.786 0 40 CHAB CCC1CCC(NC[C@@H]2OCCc3ccccc32)CC1 71090835 WJLBVVPLWMUKFW-PVARCSIZSA-N 273.420 3.859 0 40 CHAB CC1(C)[C@@H](NCCc2ccccn2)C[C@@H]1c1ccccc1 96009129 FTXAAYUKEPUHMN-MSOLQXFVSA-N 280.415 3.796 0 40 CHAB C[C@@H](CCc1ccco1)NC(=O)Nc1ccccc1F 9388555 WTQFWDCGCUKULC-NSHDSACASA-N 276.311 3.562 0 40 CHAB Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2cccs2)s1 19927632 HNXHJNKTKYEMSF-GZMMTYOYSA-N 296.442 3.680 0 40 CHAB COc1ccc(-c2noc([C@H]3C[C@@H]3c3ccco3)n2)cc1 83952332 RBDFKNOUOUCXQU-STQMWFEESA-N 282.299 3.609 0 40 CHAB C[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 28576402 IBQHIMPRIGYXAW-LBPRGKRZSA-N 265.784 3.531 0 40 CHAB Cc1ccc(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)cc1 20402693 UYZKBHOOPQOCLP-NSHDSACASA-N 289.404 3.507 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C)o1 39996892 BIJMXGSWLGRVBA-LBPRGKRZSA-N 275.373 3.799 0 40 CHAB CCC(=O)NCCSCc1ccc(Cl)cc1Cl 181072661 SYPVQRBWAPUSQL-UHFFFAOYSA-N 292.231 3.753 0 40 CHAB COc1ccccc1CN(C)C(=O)c1cc(C)ccc1C 45477455 MWMFWXLLRVHDSI-UHFFFAOYSA-N 283.371 3.584 0 40 CHAB CCc1cccc(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1 48367067 YXQSVDIOAHTHLF-HUUCEWRRSA-N 296.414 3.927 0 40 CHAB CCC[C@H](C)NC(=S)Nc1cccc(OC(C)C)c1 225383595 PAGSLCFIMPCTSH-LBPRGKRZSA-N 280.437 3.949 0 40 CHAB CC(C)Sc1ccccc1C(=O)N[C@@H](C)C(C)C 225221766 DQUHHWITPCWWNY-LBPRGKRZSA-N 265.422 3.961 0 40 CHAB CC(C)CO[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225089914 PEHAJFONSAQPIJ-GFCCVEGCSA-N 291.174 3.662 0 40 CHAB CCN(CC(=O)Nc1cc(C)ccc1C)c1ccccc1 46082637 WXKFGDZHLPEFJS-UHFFFAOYSA-N 282.387 3.768 0 40 CHAB CCCCOCc1cc(F)ccc1Br 230651919 DHULEFKNXCFIAJ-UHFFFAOYSA-N 261.134 3.905 0 40 CHAB Cc1cncc(NCc2ccc(Oc3cnccn3)cc2)c1 95430910 DLNYJIQJOQCBSJ-UHFFFAOYSA-N 292.342 3.584 0 40 CHAB Cc1ccc2nc(C)c(C(=O)OCc3ccccc3)nc2c1 604941588 NYHALBSLJAJSOR-UHFFFAOYSA-N 292.338 3.604 0 40 CHAB CCCN(c1cccc(Cl)c1C)[C@H](CC)C(=O)O 260680929 YEVDSIDDXGWNHP-GFCCVEGCSA-N 269.772 3.728 0 40 CHAB CN(C)C(=O)Nc1cc(-c2ccccc2)ccc1N(C)C 263615161 AXNPZPCDSCQASQ-UHFFFAOYSA-N 283.375 3.513 0 40 CHAB COc1cc(C(=O)c2ccc(Cl)cc2)ccc1F 89064211 KVIWSDVUELCLPH-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB Cc1csc([C@@H]2CCCN2Cc2ccc3c[nH]nc3c2)n1 584908327 XCCIGYHJEWVZQY-HNNXBMFYSA-N 298.415 3.665 0 40 CHAB CC(=O)c1ccc(N(C)C)cc1OCc1ccccc1F 83843750 BPWZCBFVHDEFSS-UHFFFAOYSA-N 287.334 3.673 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 13709308 WBQSAQLUZFLXIW-KGLIPLIRSA-N 285.387 3.912 0 40 CHAB COc1ccccc1C(=O)Nc1cccc(OC(C)C)c1 14796294 JVHJZKSLKDNNST-UHFFFAOYSA-N 285.343 3.735 0 40 CHAB COc1cc2ccccc2cc1C(=O)N1CCC(C)CC1 17355517 JQQMTICGWNAEHA-UHFFFAOYSA-N 283.371 3.721 0 40 CHAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1N 19268344 JWZBOHATFZQDIF-UHFFFAOYSA-N 284.359 3.653 0 40 CHAB CN(C)Cc1ccccc1COC(=O)/C=C/c1ccccc1 1716132 ORXYOWNKJSEEPD-OUKQBFOZSA-N 295.382 3.505 0 40 CHAB O=C(c1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008920 RZKDBYWMHJQMHI-IRXDYDNUSA-N 285.362 3.929 0 40 CHAB C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@H]2O)CC(=O)CC4 4082028 BAZGVDKAIHZPOH-ZBRFXRBCSA-N 274.404 3.633 0 40 CHAB biogenic,in-vitro O=C(c1ccc(Cl)cc1)c1c(F)cc(F)cc1F 37359018 JHAHKUBYDDSRAK-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB C[C@H]1CCC[C@@H](C)N1CCCCOc1ccc(C=O)cc1 217793803 BIRFBPSQXSDJJD-IYBDPMFKSA-N 289.419 3.921 0 40 CHAB CCCc1cc(C(=O)N(C)Cc2cc(C)on2)sc1C 40072732 SUWFQYLVXWVSOQ-UHFFFAOYSA-N 292.404 3.578 0 40 CHAB CCCCc1c(C)nn(-c2nc3ccccc3s2)c1O 100068853 LXYOMNFVXNRHBM-UHFFFAOYSA-N 287.388 3.839 0 40 CHAB CC(C)Sc1nnc(C(C)C)n1Cc1ccco1 40477959 JGVQNVZBLMDMSM-UHFFFAOYSA-N 265.382 3.543 0 40 CHAB Cc1cc(OCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1Cl 141673 ZXACVKRLOMYMLC-IAQYHMDHSA-N 295.810 3.722 0 40 CHAB CCCn1c([C@H](O)c2ccccc2)nc2ccccc21 255252 NBYCNYJPSJAJSL-MRXNPFEDSA-N 266.344 3.528 0 40 CHAB COc1cccc(CCC(=O)c2cccc(C)c2)c1 2516492 WKJRJRBFZQMSCD-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB O=C(c1c(F)cccc1F)N1CCCc2ccccc21 796968 DTDPZRUAKQFPIC-UHFFFAOYSA-N 273.282 3.558 0 40 CHAB CCCN(CCC)CC(=O)Nc1cccc(Cl)c1C 1668549 YQXIHPFOZOYMKX-UHFFFAOYSA-N 282.815 3.709 0 40 CHAB O=C(O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 1855622 UJQZMEIQNVWTFM-UHFFFAOYSA-N 292.378 3.588 0 40 CHAB COc1ccc(OC)c2c1C=CC(Br)=CC2 1857168 PFZHINPSVZUXLC-UHFFFAOYSA-N 281.149 3.552 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2[nH]1 6583944 YGUDSHJNJUBIHP-UHFFFAOYSA-N 294.398 3.867 0 40 CHAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1ccco1 6926624 GSFCFPWAOBPNCE-UHFFFAOYSA-N 290.628 3.599 0 40 CHAB O=C(Cc1ccccc1F)Nc1ccc(N2CCCC2)cc1 7951330 YUWVBCDEHRDOQN-UHFFFAOYSA-N 298.361 3.607 0 40 CHAB Fc1ccc(-c2csc(C3CCNCC3)n2)c(F)c1 53252420 QQFGGOCWBJQRHM-UHFFFAOYSA-N 280.343 3.555 0 40 CHAB O=C(O)c1csc(Nc2cc(Cl)ccc2Cl)n1 33507867 GRZJALQTWNPLAW-UHFFFAOYSA-N 289.143 3.892 0 40 CHAB CC1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 20238036 ROFDJGYHEMWZRR-UHFFFAOYSA-N 297.851 3.832 0 40 CHAB C[C@@H]1CCCCN1c1nc2ccccc2nc1Cl 984050 AUYXWYBRNTZVIL-SNVBAGLBSA-N 261.756 3.662 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(Br)cc1 12406548 SPWZKDGGVURQEO-PHIMTYICSA-N 296.208 3.852 0 40 CHAB C[C@@H](NC(=O)NCc1ccccc1)c1ccc(F)c(F)c1 7779422 RDSDMZZEXBHXAL-LLVKDONJSA-N 290.313 3.525 0 40 CHAB Cc1cccc(C)c1OC(=O)[C@H]1Cc2ccccc2S1 24950318 CPUXWXCSTFSSBN-OAHLLOKOSA-N 284.380 3.926 0 40 CHAB Cc1cc(C(=O)N[C@H](C)c2cccc3ccccc23)no1 43544806 GGTBLUBLLQAXPP-GFCCVEGCSA-N 280.327 3.627 0 40 CHAB CCOc1ccc([C@H](C)NCc2csc(C)n2)cc1 35052951 OBTVXEZUKJLYLI-NSHDSACASA-N 276.405 3.701 0 40 CHAB Cc1cc(COc2ccc(C)c3c2C(=O)C[C@H]3C)on1 25823457 WRIXSUPWNZECSW-SNVBAGLBSA-N 271.316 3.560 0 40 CHAB Cc1cc(=O)oc2cc(OCCOc3ccccc3)ccc12 2083020 YZOJQYBPFUOSQZ-UHFFFAOYSA-N 296.322 3.559 0 40 CHAB CCc1sc(C(=O)N[C@@H](C)c2ccccn2)cc1C 36688730 HTCKNRGBHSMTQX-NSHDSACASA-N 274.389 3.505 0 40 CHAB C[Si](C)(C)CNC(=O)C(c1ccccc1)c1ccccc1 408720806 ZTCAFQJAPQYXPA-UHFFFAOYSA-N 297.474 3.812 0 40 CHAB CCCCOc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 48333161 YRSDFQZXOVAWKL-MRXNPFEDSA-N 287.403 3.838 0 40 CHAB Cc1ccccc1CCNC(=O)c1ccc2c(c1)CCCC2 12808146 GUXVYHLEZQEFIJ-UHFFFAOYSA-N 293.410 3.846 0 40 CHAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCC2 7889085 WUYFBWGVAIEJKW-UHFFFAOYSA-N 273.282 3.706 0 40 CHAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C)cc1 3504304 HQLXEFCLOHVRGM-AWEZNQCLSA-N 297.354 3.604 0 40 CHAB CCc1ccccc1NCC(=O)Nc1cccc(Cl)c1 7977373 LEOJUIHKLJDGLC-UHFFFAOYSA-N 288.778 3.953 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2cccnc2)c(Cl)c1 13331923 NLZSCNPGSIZQGJ-LLVKDONJSA-N 289.766 3.926 0 40 CHAB CCn1c(SC[C@@H]2CCCCO2)nc2ccccc21 6553091 IBXNUVXHGNEPBS-LBPRGKRZSA-N 276.405 3.717 0 40 CHAB CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1 4614791 PBSGPWXEACCHLT-QINSGFPZSA-N 294.379 3.793 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC1(Cl)Cl 9125726 GGYCMCMZUWUHIP-MRVPVSSYSA-N 298.091 3.838 0 40 CHAB Clc1ncc(-c2ccccc2)n1Cc1ccco1 22126260 MICHCZNOHNGLIQ-UHFFFAOYSA-N 258.708 3.845 0 40 CHAB Cc1occc1S(=O)(=O)Cc1cccc2ccccc12 97163180 BPDLRBJOMUYDBN-UHFFFAOYSA-N 286.352 3.715 0 40 CHAB Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 9501794 DYHHKLZXJHKPIC-UHFFFAOYSA-N 294.354 3.596 0 40 CHAB CCOC(=O)[C@H](Sc1nc2ccccc2o1)C(C)C 95414348 QHXHIVOGNQDWQJ-GFCCVEGCSA-N 279.361 3.508 0 40 CHAB Cc1ccc(OCCS[C@@H](C)c2nc(C)no2)cc1 73920494 MCDASXZXMPVFET-NSHDSACASA-N 278.377 3.560 0 40 CHAB O=C(c1cscn1)N(CC1CCC1)c1ccccc1 89841184 PMINEUKNTLEFIO-UHFFFAOYSA-N 272.373 3.590 0 40 CHAB NCc1cn(-c2ccccc2)nc1-c1ccccc1Cl 27987031 VNENWJKBSOBYLL-UHFFFAOYSA-N 283.762 3.651 0 40 CHAB CC[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1OC 27130700 PSHKEORNUWMRBK-DZGCQCFKSA-N 273.376 3.619 0 40 CHAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)CC[C@H](O)[C@@H]12 123392658 UMFJXEJVAKBCPM-LBYBGDIDSA-N 292.463 3.751 0 40 CHAB FC(F)(F)c1ccn(C/C=C/c2ccccc2)n1 60059123 KKYZLOLUCDHSPS-QPJJXVBHSA-N 252.239 3.615 0 40 CHAB CN(C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72212622 GETLSQLLUGEROE-SFHVURJKSA-N 295.430 3.875 0 40 CHAB C[C@H](NCc1cccc(OC(F)(F)F)c1)c1cccnc1 76395866 UVUYDHJTPFNGCA-NSHDSACASA-N 296.292 3.831 0 40 CHAB O=C(c1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32090527 FPMDGDDIQJGVJH-UHFFFAOYSA-N 290.366 3.973 0 40 CHAB O=C(c1ccc(-c2ccco2)o1)N1CCCCCC1 72243294 CISDZZJQPKWSKK-UHFFFAOYSA-N 259.305 3.556 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(NC2CC2)nc1 72213783 XTDVAMJHZSCTJI-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C)c1 225693796 XKYAZYQJZMGINZ-MRXNPFEDSA-N 279.380 3.537 0 40 CHAB CC[Sn](/C=C\C=C\OC)(CC)CC 195778080 NIPDMDGBUMPDID-JPPHFFHZSA-N 289.007 3.750 0 40 CHAB C[C@H](CC1CC1)Nc1ccc(Cl)c(C[S@](C)=O)c1 195566337 VBZZPFDQXWKLCD-MGNBDDOMSA-N 285.840 3.819 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C\c1cccc2c1OCO2 40139540 ALFDMMJMSMEFQZ-WUXMJOGZSA-N 299.713 3.561 0 40 CHAB CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1cccnc1 84110480 YXZUUZKUOMAQTL-UHFFFAOYSA-N 297.745 3.560 0 40 CHAB COC(=O)[C@H](C)N1c2cc(C)ccc2C(C)=CC1(C)C 223192220 FPFWAUMANLNYKX-ZDUSSCGKSA-N 273.376 3.558 0 40 CHAB CCOC(=O)C(F)(F)Sc1ccc(Cl)cc1 85397070 WBUBUHKLSFQYAW-UHFFFAOYSA-N 266.696 3.588 0 40 CHAB CN(Cc1ccccc1)C(=O)c1conc1-c1ccccc1 225871825 GKYQAIIAOSFJIV-UHFFFAOYSA-N 292.338 3.614 0 40 CHAB CCc1nc(NC(=O)C2CCCCC2)sc1C 40118975 UOCVYTMWPSQGCU-UHFFFAOYSA-N 252.383 3.533 0 40 CHAB CCc1ccc(CNC(=O)Nc2ccc(OC)cc2)s1 45952211 AKUWTKSPPJVODG-UHFFFAOYSA-N 290.388 3.641 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCC1CCCCC1 224621087 VBBCZKUKTOZGSN-QGZVFWFLSA-N 289.419 3.849 0 40 CHAB Cc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223147321 QERHBUKERJMEBR-CQSZACIVSA-N 279.383 3.975 0 40 CHAB C[C@@H](Cc1ccc2ccccc2c1)NC1CCOCC1 95421507 RCNIHJSYRHPYNC-AWEZNQCLSA-N 269.388 3.539 0 40 CHAB CC(=O)Nc1cccc(Cl)c1SC(F)F 69451894 LTZROQSQHBCIMQ-UHFFFAOYSA-N 251.685 3.613 0 40 CHAB COc1cc(CNc2ccccc2)cc(Cl)c1O 83461541 HIHMWRDCXQESGE-UHFFFAOYSA-N 263.724 3.666 0 40 CHAB O=C(CSc1nc2ccccc2o1)c1ccc(F)cc1 520448 ADMZPJDIRBICNB-UHFFFAOYSA-N 287.315 3.942 0 40 CHAB Fc1cc(F)cc(Nc2ncnc3ccsc23)c1 1889003662 OXEDBDQCWIOHGG-UHFFFAOYSA-N 263.272 3.713 0 40 CHAB CCc1c(C)nc2c(-c3ccc(OC)cc3)c(C)nn2c1C 12115636 RSUPFRMSFLYHAA-UHFFFAOYSA-N 295.386 3.893 0 40 CHAB c1ccc(C2=Nc3cccnc3C(c3ccccc3)=NN2)cc1 13572831 SQXRRTYAKPUDDX-UHFFFAOYSA-N 298.349 3.516 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14401552 DVOXUELZQISOBJ-VXGBXAGGSA-N 283.799 3.639 0 40 CHAB Cc1cc([C@H]2CCCCCN2Cc2ccc(O)cc2)no1 19119408 RQTNOPBEQCVRJP-QGZVFWFLSA-N 286.375 3.806 0 40 CHAB O=C(NC1CC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 15586811 XROVBZOMXBVLNI-UHFFFAOYSA-N 295.260 3.858 0 40 CHAB O=C(Nc1nsc(-c2ccccc2)n1)c1cccs1 2889443 DUCAOMWMESCFAG-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1CCCOc1ccccc1C=O 217790820 OVHLIKDHAZFMQB-HUUCEWRRSA-N 275.392 3.531 0 40 CHAB CCC[C@H](C)NC(=O)Nc1ccc(F)c(Cl)c1 40023791 BFCHPTPWUBHWOH-QMMMGPOBSA-N 258.724 3.789 0 40 CHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc(Cl)c1 578768 PPYVQEXBFMNESU-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB CN(C=O)c1ccc(CSc2ccccc2)cc1 1574974 LPXDZRWLLCZGLJ-UHFFFAOYSA-N 257.358 3.572 0 40 CHAB Cc1ccc(NC(=O)CCSc2ccccn2)cc1 386156 ZSZSWJQKRIUTBY-UHFFFAOYSA-N 272.373 3.511 0 40 CHAB CC(C)c1ccc(-c2cn3ccccc3[n+]2C)cc1 387343 BBMTXIJWKGSTNI-UHFFFAOYSA-N 251.353 3.554 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(F)c(F)c2F)cc1C 2648259 TVGNATXMKYZWNI-UHFFFAOYSA-N 293.288 3.902 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC12CC3CC(CC(C3)C1)C2 102416102 SIWGJTYQZHZSTD-RLPDQUCXSA-N 287.447 3.898 0 40 CHAB Cc1cccc(C(=O)NC(=S)Nc2cc(C)ccc2C)c1 486389 DDKMAMMLCSCACL-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB COc1cccc(C(=O)Nc2cc(C)ccc2C)c1 482810 RICJFXPWSIQPIY-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1ccc(C)c(C)c1 109769694 YRZLQYXLDFLJMK-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB Brc1cccc(CNCc2cccs2)c1 57274470 WBNMDPFFOKNCFH-UHFFFAOYSA-N 282.206 3.800 0 40 CHAB C[C@@H](NC(=O)CCC1CCCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102404011 GHASTKLRCQNJHQ-MIGQKNRLSA-N 263.425 3.898 0 40 CHAB CC(C)[C@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1 12484776 LKOHCEMUGKIOMX-HNNXBMFYSA-N 285.391 3.566 0 40 CHAB Cc1noc(C)c1CN(C)Cc1ccc(OC(F)F)cc1 42977874 YSUVSEZOUWJUHA-UHFFFAOYSA-N 296.317 3.525 0 40 CHAB COc1ccccc1CN[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 106619865 VEZVUKMNJLQGAY-RZLSGREXSA-N 259.393 3.610 0 40 CHAB c1ccc2c[n+](Cc3ccc4ccccc4n3)ccc2c1 1673074 MZDPWAATHBKRAU-UHFFFAOYSA-N 271.343 3.724 0 40 CHAB CC(C)[C@@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1 3292897 UOXFRCKXFVMKBN-OAHLLOKOSA-N 291.778 3.989 0 40 CHAB CC(C)CC[C@@H](CC(=O)O)[C@H]1CCOC(C)(C)C1 2159728 CGFDHQZQOJIQDO-STQMWFEESA-N 256.386 3.719 0 40 CHAB biogenic O=C(N[C@H]1CCCc2ccccc21)c1cc(F)cc(F)c1 3458189 ZYRLILUCYRPCPA-INIZCTEOSA-N 287.309 3.772 0 40 CHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 3561448 GUIZCOUVLDLETN-UHFFFAOYSA-N 299.679 3.939 0 40 CHAB Cc1cccc(C(=O)N2c3ccccc3C[C@H]2C)c1 12920035 PPKGCEMBLHESJV-CYBMUJFWSA-N 251.329 3.586 0 40 CHAB CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 13746258 HNGYYWWRCDYVCY-CHWSQXEVSA-N 262.397 3.969 0 40 CHAB Cc1nnc(NC(=O)/C=C/c2cccc3ccccc23)s1 14051328 KJDXSXSNKXWQRJ-MDZDMXLPSA-N 295.367 3.652 0 40 CHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccccc3C)oc2c1 6811231 YOJSTSQRZOEYOR-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB CCOCCCC(=O)N1[C@H](c2ccccc2)CCC[C@H]1C 79059961 YYGNUYPTLQGKDC-WBVHZDCISA-N 289.419 3.945 0 40 CHAB CCC(CC)C(=O)Nc1nc(-c2ccc(C)cc2)ns1 27990070 LYRXZJQYMCZUPL-UHFFFAOYSA-N 289.404 3.888 0 40 CHAB CC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(C)cc1 24969606 UMVYIXQDCMIVMW-CQSZACIVSA-N 295.382 3.754 0 40 CHAB CC1CCC(N2CCN(Cc3ccc(F)cc3)CC2)CC1 19842502 LRTGIPILKOYLJW-UHFFFAOYSA-N 290.426 3.522 0 40 CHAB Cc1cc(C)c(SCC(=O)NC(C)(C)C)c(C)c1 9500841 ORQRFUSTMHHEDY-UHFFFAOYSA-N 265.422 3.619 0 40 CHAB CCOc1cc(CN(C)C(C)C)ccc1OC(F)F 97221295 HXXFCOHCQLAZRH-UHFFFAOYSA-N 273.323 3.527 0 40 CHAB CC(C)Cn1ccc2c(NC(=O)c3ccncc3)cccc21 72404833 HQLFHDPDUSSDJJ-UHFFFAOYSA-N 293.370 3.945 0 40 CHAB O=C(CSc1ccc2ccccc2c1)Nc1ccccn1 32692342 ULWUTAMQTPKCFW-UHFFFAOYSA-N 294.379 3.966 0 40 CHAB Brc1cccc2nc3c(nc12)[C@@H]1CC[C@@H]3C1 217621324 SVFPUONBPBATIL-HTQZYQBOSA-N 275.149 3.757 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1 74364012 GGZHODQDLMUDFT-CABCVRRESA-N 283.371 3.640 0 40 CHAB Cc1cnc(NC(=O)c2ccc(-c3ccco3)o2)s1 72243289 PNXLANDNYSAEFJ-UHFFFAOYSA-N 274.301 3.557 0 40 CHAB Cc1cc(CNC(=O)Cc2cccc3ccccc23)c(C)o1 70640381 BRJHTUCRXSKNKE-UHFFFAOYSA-N 293.366 3.909 0 40 CHAB O[C@@H](c1ccccc1)c1ccc(NCc2ccccc2)nc1 72225350 PTDNCAUROHUQET-IBGZPJMESA-N 290.366 3.775 0 40 CHAB COc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223150483 GMIFDBUITAWYMX-ZDUSSCGKSA-N 295.382 3.675 0 40 CHAB CCCS(=O)(=O)Oc1ccc2oc3ccccc3c2c1 45929296 JODZCVGGXDBDRF-UHFFFAOYSA-N 290.340 3.705 0 40 CHAB CCC[C@@H](C(=O)O)N1c2ccccc2C(C)=CC1(C)C 223214915 CKNITFJCCZBPPH-HNNXBMFYSA-N 273.376 3.942 0 40 CHAB CCOCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 225597583 WMTKBFASGRISPJ-UHFFFAOYSA-N 291.391 3.621 0 40 CHAB CCCCOc1cc(Cl)c(C=O)cc1OCC 225277242 SPECOAXLSGQCFJ-UHFFFAOYSA-N 256.729 3.730 0 40 CHAB COc1ccc2nc(OC)c(Cc3ccccc3)cc2c1 90555745 LDUXRVAGLBQABP-UHFFFAOYSA-N 279.339 3.843 0 40 CHAB CCC[C@H](C)NC(=O)Nc1ccc(C)cc1Cl 40023787 JIGVVHYOLYGDJL-JTQLQIEISA-N 254.761 3.959 0 40 CHAB O=c1cc(-c2ccccc2Cl)[nH]c2cc3c(cc12)OCO3 5581785 SHMPNORMVOCNRJ-UHFFFAOYSA-N 299.713 3.577 0 40 CHAB Clc1ccc(-c2nc(Cc3ccccc3)n[nH]2)cc1 5999314 GMVYCZKAKBUBCZ-UHFFFAOYSA-N 269.735 3.716 0 40 CHAB COc1ccc(C(=O)Sc2nc3ccccc3[nH]2)cc1 13229697 OZAMACBLDIULIB-UHFFFAOYSA-N 284.340 3.504 0 40 CHAB O=C1C[C@@H](c2ccco2)Cc2c1cnn2-c1ccccc1F 17023941 PIKQCLSEASVMAE-NSHDSACASA-N 296.301 3.517 0 40 CHAB Cc1ccccc1CSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 979195 YHHUMHROJPMLDH-SQWLQELKSA-N 289.444 3.533 0 40 CHAB Cc1cc(C)c(NC(=O)COc2c(C)cccc2C)c(N)c1 226358949 TXHSTDRNZQGWPF-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB CCOC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 38295649 UVRLSBWBUBLBMP-UHFFFAOYSA-N 292.338 3.716 0 40 CHAB O=C(C1CC1)N(Cc1ccco1)c1nc2ccccc2s1 8737663 BGXUBRKQOXAIIG-UHFFFAOYSA-N 298.367 3.833 0 40 CHAB NCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 20390689 IEZWLCDZTHFEKH-UHFFFAOYSA-N 283.762 3.651 0 40 CHAB Cc1ccccc1C(=O)N1CC[C@H](c2ccccc2)C1 38566874 JETVHWZLFBSBDS-INIZCTEOSA-N 265.356 3.625 0 40 CHAB O=C(/C=C/c1ccco1)N1CCc2sc(Cl)cc2C1 575617025 VHCUKTVSTVZJSS-ONEGZZNKSA-N 293.775 3.593 0 40 CHAB Cc1cnc(SCc2ccccc2Cl)nc1N(C)C 1679359 XMVNOXQZPHZCTQ-UHFFFAOYSA-N 293.823 3.797 0 40 CHAB C[C@H]1CCCCN1CCCCOc1cccc(C=O)c1 217794822 BCPZZIWQQIEYOY-HNNXBMFYSA-N 275.392 3.533 0 40 CHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccs1 40107196 WDNCKDBDQFBFRK-NSHDSACASA-N 293.819 3.691 0 40 CHAB CCOc1ccc(Nc2cc(=O)oc3ccccc23)cc1 100814298 FGBHRWCFNSYDQU-UHFFFAOYSA-N 281.311 3.935 0 40 CHAB COc1cccc(-c2cc(C(F)F)c3cnn(C)c3n2)c1 20603012 YLOTWSXGOLNHFL-UHFFFAOYSA-N 289.285 3.582 0 40 CHAB Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1C 1018170 XVYBAMKSUADJAR-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB CCCCCC(=O)NC(=S)Nc1cc(C)cc(C)c1 2145308 RQTCURRPUCSNMQ-UHFFFAOYSA-N 278.421 3.697 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc2cccnc12 32739326 ATMLKEGHHKERIX-GFCCVEGCSA-N 252.317 3.530 0 40 CHAB Cc1cc(C)c(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c(C)c1 102264403 WWTDKXYTWWGNJK-KKUMJFAQSA-N 255.361 3.763 0 40 CHAB CCC[C@H](C)NC(=O)CSCc1cc(C)cc(C)c1 6946807 SQDGADQUDHIBGM-AWEZNQCLSA-N 279.449 3.841 0 40 CHAB CCC(C)(C)NC(=O)c1sc(-c2ccc(C)o2)nc1C 32967724 KAFHGPALBRJGBZ-UHFFFAOYSA-N 292.404 3.938 0 40 CHAB Cc1noc(C)c1CCC(=O)N(C)[C@@H](C)c1cccs1 53314586 HTLSRKNYMIOUJQ-NSHDSACASA-N 292.404 3.505 0 40 CHAB O=C(Nc1cc2c(cc1Cl)OCO2)C1CCCCC1 24013825 JJIRGFOFFLVDBS-UHFFFAOYSA-N 281.739 3.588 0 40 CHAB Cc1cc(Oc2ccc(O)cc2)nc(-c2ccccc2)n1 12391246 LZBKDRYMSQVBGM-UHFFFAOYSA-N 278.311 3.950 0 40 CHAB Fc1ccc(-c2cc(C(F)(F)F)nc(S)n2)cc1 12345077 VYPMEUABZOCDBE-UHFFFAOYSA-N 274.242 3.590 0 40 CHAB C[C@H](NC(=O)CC1=CCCCC1)c1nc2ccccc2[nH]1 105780957 LDWRQBCBDUYCBF-LBPRGKRZSA-N 283.375 3.631 0 40 CHAB CCC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 47277628 CDCSGJXKMRSJRR-UHFFFAOYSA-N 299.418 3.658 0 40 CHAB CC(C)(C)OC(=O)n1cc(C=O)c2ccc(Cl)cc21 114258321 NHLUPJYNPWVAHO-UHFFFAOYSA-N 279.723 3.890 0 40 CHAB Cc1cc(F)ccc1NC(=O)N[C@H]1CCC[C@@H](C)C1 43420643 YXQYMBLCAGMOMD-MFKMUULPSA-N 264.344 3.834 0 40 CHAB Cc1ccc(C(=O)COc2cccc3cccnc23)cc1 28047727 XENJNMZIESLCKS-UHFFFAOYSA-N 277.323 3.805 0 40 CHAB COc1ccc2c(-c3cccnc3)cc(=S)[nH]c2c1 12504826 QSAGBKVIOLUOMR-UHFFFAOYSA-N 268.341 3.968 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)NC1CCCCC1 20107801 CIBMITCDJZHPAF-AWEZNQCLSA-N 295.810 3.946 0 40 CHAB Cc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cn1 45029101 DJVOPMOSNCURGC-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB COc1cc(-c2cc3ccccn3c2)cc(OC)c1OC 4192931 NLTBRZDDUUYAPE-UHFFFAOYSA-N 283.327 3.632 0 40 CHAB CCCNC(=S)Nc1ccccc1[C@@H](C)CC 13793726 YZPZEKFUKCDZDV-NSHDSACASA-N 250.411 3.897 0 40 CHAB Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 4588593 LXZFARBLGKKKKU-GDNBJRDFSA-N 297.741 3.993 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(F)cc1 6763371 XEMFKAVSVWSRGX-ZDUSSCGKSA-N 286.350 3.969 0 40 CHAB COc1ccc(OC)c(NC(=O)/C=C/c2ccccc2C)c1 8745289 OIHFAZJBRPGJEX-DHZHZOJOSA-N 297.354 3.664 0 40 CHAB CCCN[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 5937250 MBSGOSNNUZUOFI-SFHVURJKSA-N 296.414 3.983 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2ccc(C)cc2)s1 7071458 VLZBLUYVSZHIEI-UHFFFAOYSA-N 259.330 3.511 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccsc2)cc1 16354326 HQXREEKIRUBXQI-CYBMUJFWSA-N 288.416 3.516 0 40 CHAB O=C(CNc1ccccc1F)Nc1cccc(Cl)c1 7972152 HMPDJZBTNNNXGT-UHFFFAOYSA-N 278.714 3.530 0 40 CHAB COc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1 19908961 NHIUKCJAMTZFSC-WBMJQRKESA-N 271.360 3.701 0 40 CHAB C[S@](=O)Cc1cccc(NCc2ccc(Cl)s2)c1 95429149 ZBDJXEJDXZTKRO-GOSISDBHSA-N 299.848 3.892 0 40 CHAB CCc1oc(C(=O)N(C2CC2)[C@@H](C)c2ccccn2)cc1C 95414651 IGEPESZIFHWUSB-ZDUSSCGKSA-N 298.386 3.911 0 40 CHAB CC[C@]1(C)Nc2ccccc2C(=O)N1c1ccccc1 20636618 ANOMHRRXEXOOOF-QGZVFWFLSA-N 266.344 3.885 0 40 CHAB COc1ccc(C)cc1NC(=O)Cc1cccc(Cl)c1 67788374 WCLFTQSIPJXTBS-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB CC[C@]1(C)C[C@@](CCN)(c2ccc(C)cc2)CCO1 171684 LSXKXJPDFZUXNV-SJORKVTESA-N 261.409 3.561 0 40 CHAB biogenic Nc1ccccc1-c1nnc(-c2cccc(Cl)c2)o1 30824052 VRTCBXFHFJZCGK-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CCOc1ccc(C(=O)NCCSC(C)(C)C)cc1C 224843121 HJDZHOGNZVXGFV-UHFFFAOYSA-N 295.448 3.655 0 40 CHAB O=C(O)Cc1nc(C(F)(F)F)ccc1-c1ccc(F)cc1 47206734 DQMFGMNVFKWYCF-UHFFFAOYSA-N 299.223 3.534 0 40 CHAB COC(=O)c1cn(CCc2ccccc2)c2ccccc12 228908671 BIEGPXZQHLLQRT-UHFFFAOYSA-N 279.339 3.671 0 40 CHAB COCc1ccccc1-n1c(COC)cc2ccccc21 261828375 LEFULXOIMZXGSX-UHFFFAOYSA-N 281.355 3.923 0 40 CHAB CC[C@H](C)Oc1ccc(Br)cc1OC 95915443 ANGJSPJRZCGLHZ-QMMMGPOBSA-N 259.143 3.635 0 40 CHAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccco1 390826796 PQWJQFJSCIXGSD-ZDUSSCGKSA-N 289.381 3.922 0 40 CHAB Cc1cccc(N(C)Cc2nc3c(s2)CCCC3)c1 95468649 MSPYKJCWMVCMJW-UHFFFAOYSA-N 272.417 3.967 0 40 CHAB COc1cccc(-c2cccc(OC)c2F)c1F 1239750749 RIKANRQECXDBPV-UHFFFAOYSA-N 250.244 3.649 0 40 CHAB Cc1cccc(C(=O)Nc2cc(C)c(O)cc2C)c1 3075862 SSHHCOCTXYCBDR-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB S=C(Nc1ccccc1)Nc1ccc2c(c1)CCC2 5672536 MPTHFCXTQKGBIZ-UHFFFAOYSA-N 268.385 3.984 0 40 CHAB Cc1cc(C)cc(NC(=O)N[C@@H](C)c2ccccn2)c1 13331884 OIGZHGLZWJMFKG-ZDUSSCGKSA-N 269.348 3.581 0 40 CHAB CCC[C@H]1C(=O)C[C@H](c2ccco2)N[C@@H]1c1ccco1 13468203 LFJPCHSRZIMWGY-OZVIIMIRSA-N 273.332 3.634 0 40 CHAB O=C(Oc1ccc(Cl)cc1)c1ccnc(Cl)c1 166854 QHEMVRVXDPVJOE-UHFFFAOYSA-N 268.099 3.608 0 40 CHAB O=C(OCc1cccc(F)c1F)c1c[nH]c2ccccc12 8251932 UWJRMOFSLGBETN-UHFFFAOYSA-N 287.265 3.803 0 40 CHAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1 3149472 IOTNJMAYWPRXEX-UHFFFAOYSA-N 297.354 3.896 0 40 CHAB biogenic CC(C)OCc1ccc(CNC(=O)C2CCCCC2)cc1 40122257 PURHRTREQLMHDH-UHFFFAOYSA-N 289.419 3.808 0 40 CHAB Cc1cc(OCCCCC(=O)O)ccc1C(C)C 20474256 NBNDLNHDTAZILE-UHFFFAOYSA-N 250.338 3.752 0 40 CHAB O=C(O)CCCCNc1ccccc1Cc1ccccc1 20474566 XRPAHFWDNUSFDF-UHFFFAOYSA-N 283.371 3.944 0 40 CHAB COc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(CO)[C@H]1CC2 31982 HMPJUDGZKICNFY-KZNAEPCWSA-N 274.404 3.698 0 40 CHAB O=C(OCc1c(Cl)cccc1Cl)c1ccccn1 541069 HBNFEJRXXAQZHY-UHFFFAOYSA-N 282.126 3.745 0 40 CHAB CCOC(=O)[C@@H](CC)Oc1cccc(Cl)c1Cl 17007685 CMWUQGPKQKYZGW-SECBINFHSA-N 277.147 3.714 0 40 CHAB c1cc2c(cc1C1SCSCS1)OCO2 1729206 WACJZAHDVDDAQC-UHFFFAOYSA-N 258.389 3.542 0 40 CHAB CC[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 2173225 VGNWNCUHBARGKV-HZPDHXFCSA-N 251.329 3.801 0 40 CHAB biogenic O=C(O)c1ccccc1Sc1ccc(C(F)(F)F)cn1 4053731 TUCSSPAIYVMAHI-UHFFFAOYSA-N 299.273 3.950 0 40 CHAB CC1(C)C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)C1=O 4751445 NUIJVOVPORDSSK-HOTGVXAUSA-N 294.350 3.664 0 40 CHAB Cc1ccc(F)cc1NC(=O)Cn1ccc2ccccc21 6267394 JYTUJULJFHDYIV-UHFFFAOYSA-N 282.318 3.728 0 40 CHAB Cc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 8060443 ZMLZWZFHZLWTRT-UHFFFAOYSA-N 291.354 3.807 0 40 CHAB Cc1ccc(NC(=S)N[C@H]2CCCC[C@@H]2C)c(O)c1 10751569 JCMZNVZQFKKSKZ-RYUDHWBXSA-N 278.421 3.566 0 40 CHAB C[C@@H]1CCc2c(C(=O)Nc3nccs3)csc2C1 540313 LSDTZRXQOXPXFY-MRVPVSSYSA-N 278.402 3.582 0 40 CHAB Cn1c(SCc2ccccc2)nnc1-c1cccs1 533252 ZCDJJCRHQLWCOY-UHFFFAOYSA-N 287.413 3.836 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 41781447 MRZBUOODBGGOHT-SNVBAGLBSA-N 271.282 3.720 0 40 CHAB O=C(Nc1ccncc1)c1csc(-c2cccs2)n1 22260521 KDQJMWSAWPZPSJ-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB c1ccc([C@@H]2C[C@@H]2c2nc3c4ccccc4ncn3n2)cc1 2806339 QXEYATMVHAUKCN-GJZGRUSLSA-N 286.338 3.549 0 40 CHAB CN(C)CC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100987011 SGTNXLHDNKZGCR-MVYVIFSASA-N 297.442 3.655 0 40 CHAB Clc1ccccc1CNc1cccc2[nH]ncc12 37783913 KOCZHJKKTMDBPF-UHFFFAOYSA-N 257.724 3.828 0 40 CHAB Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 3246486 DIFBWLKLJKGVGQ-UHFFFAOYSA-N 293.322 3.516 0 40 CHAB aggregator Cc1sc2ncnc(S[C@H]3CCCCC3=O)c2c1C 3304224 WKPJTJKTADDPHY-NSHDSACASA-N 292.429 3.912 0 40 CHAB O=C(NC1CCCCCCC1)c1cn[nH]c1-c1ccccc1 29001606 XDKLUALSMGGMGQ-UHFFFAOYSA-N 297.402 3.919 0 40 CHAB CCc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1 3404594 HGFSKMJCCQYEND-UHFFFAOYSA-N 297.383 3.693 0 40 CHAB Cc1ccc(Sc2ncccc2C(=O)O)c(C)c1 3440402 NCGXUBLFJFDNMA-UHFFFAOYSA-N 259.330 3.548 0 40 CHAB COc1ccc2c(CC(=O)Nc3ccc(C)cc3)coc2c1 3547951 ISVFGIOZGKNFDN-UHFFFAOYSA-N 295.338 3.931 0 40 CHAB CN(C)[C@H](Cc1ccccc1)C(=O)c1ccc(Cl)cc1 6078926 MKTZHJOPZKLWGO-MRXNPFEDSA-N 287.790 3.696 0 40 CHAB C[C@@H]1C[C@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2C)o1 15502338 YYVLMZNSZKEILL-NSODJVPESA-N 282.343 3.599 0 40 CHAB Cc1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 15669934 YMTITQSGMUNNEX-UHFFFAOYSA-N 256.280 3.589 0 40 CHAB CCCCCc1c(C)nc(Nc2ccc(C)cc2)[nH]c1=O 8969748 BMVKAHIAELRMTJ-UHFFFAOYSA-N 285.391 3.863 0 40 CHAB O=C(c1ccc(Cl)c(F)c1)C(F)(F)Br 307465009 MBWDEXQDKTZRET-UHFFFAOYSA-N 287.462 3.650 0 40 CHAB Cc1cccc(-n2ccnc2SCc2cnn(C)c2)c1C 75572170 QWXDGKHKYJQWRM-UHFFFAOYSA-N 298.415 3.515 0 40 CHAB COc1cc2ccccc2cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 22510044 RDBQQPIVPPMUHC-XGWLTEMNSA-N 295.382 3.767 0 40 CHAB O=C([C@H]1C[C@H]1c1ccco1)N(Cc1cccc(F)c1)C1CC1 84372468 FQBQDFHTHKXSOO-CVEARBPZSA-N 299.345 3.713 0 40 CHAB Cc1nc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)cs1 95422169 DXOAEFMLFRGKTR-QWRGUYRKSA-N 278.425 3.641 0 40 CHAB C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccccn1 86339992 RHBMPILTYFOJOF-QWHCGFSZSA-N 299.374 3.671 0 40 CHAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(F)cc1 37976363 OWAWSOAQQNYCBE-UHFFFAOYSA-N 251.345 3.770 0 40 CHAB CN1CCC[C@@H]1c1cccnc1Oc1ccccc1 72212184 XTYQFACUIFRVSP-OAHLLOKOSA-N 254.333 3.641 0 40 CHAB COc1ccc([C@H]2CCCCN2CC(C)C)c(C)n1 72218099 KNAMMSCLYHKFRE-OAHLLOKOSA-N 262.397 3.582 0 40 CHAB CCN1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214309 JYMVNBAHLKECBD-CYBMUJFWSA-N 291.395 3.585 0 40 CHAB Cc1cccc([C@@H]2CCCN2C(=O)OCc2ccccc2)n1 72211073 UPAILPLVYQDKCL-KRWDZBQOSA-N 296.370 3.864 0 40 CHAB COC(=O)c1c[nH]cc1-c1ccc(Cl)c(Cl)c1 89219605 WRGWTNAGWNCVTF-UHFFFAOYSA-N 270.115 3.775 0 40 CHAB O=C(c1ccsc1)N1CCC(c2cccs2)CC1 75157007 UMNKDWQQSVHFIP-UHFFFAOYSA-N 277.414 3.829 0 40 CHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2)S1 222556198 VUDJCPYWPKCWPQ-RCBQFDQVSA-N 295.411 3.671 0 40 CHAB CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1 225639553 KSEHLQGZUQWLLF-UHFFFAOYSA-N 291.391 3.619 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCC1CCCCC1 224450253 ALBKLRSCCLISMJ-INIZCTEOSA-N 293.382 3.680 0 40 CHAB Cn1c(-c2cc(Cl)ncc2Cl)nc2ccccc21 98175435 UZWQIZPEXSGHOD-UHFFFAOYSA-N 278.142 3.942 0 40 CHAB C[C@H](N)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 242463510 DDJQFAXXZPWWOV-VHSSKADRSA-N 267.372 3.716 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](SC(F)(F)F)C1 91252866 SELSKIXNXXXBHH-MRVPVSSYSA-N 285.331 3.639 0 40 CHAB O=C(Cc1cccc(Cl)c1)c1cc(F)ccc1O 2243275 WKJACXUFNXGWOI-UHFFFAOYSA-N 264.683 3.610 0 40 CHAB Cc1ccccc1C(=O)NC1=Nc2ccccc2SC1 16768705 ZRGOINICQFSAKL-UHFFFAOYSA-N 282.368 3.561 0 40 CHAB CC(C)c1ccc(C(=O)Nc2cccc(N)c2)cc1 19410033 YQYUVYGHFXBTFA-UHFFFAOYSA-N 254.333 3.645 0 40 CHAB OCC[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 209438 YPRZYMJRAMUODQ-GFCCVEGCSA-N 288.218 3.730 0 40 CHAB CC(C)[C@@H](C)NC(=O)Nc1ccccc1Br 40095180 KOQCUEAZAMIGIY-SECBINFHSA-N 285.185 3.615 0 40 CHAB C[C@@H]1Cc2cc(C(=O)c3ccccc3Cl)ccc2O1 243939 KTCIOYSMRWVCAA-SNVBAGLBSA-N 272.731 3.894 0 40 CHAB O=C1CCC[C@H]2[C@@H]1CCC[C@]2(O)CCc1ccccc1 390822 NFYFKILLGXOWOJ-BQFCYCMXSA-N 272.388 3.520 0 40 CHAB CCOc1ccccc1NC(=O)c1cc(C)ccc1C 514816 IUOSJZMAYJHCPI-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB c1ccc(-c2cn(-c3ncnc4sccc34)cn2)cc1 8216068 IBCKWTZATLPSLA-UHFFFAOYSA-N 278.340 3.544 0 40 CHAB O=C(COc1cccc2ccccc12)NCc1cccs1 2635015 IAQUTQSLUDFZDM-UHFFFAOYSA-N 297.379 3.597 0 40 CHAB O=C1c2ccccc2C(=O)N1Cc1cccc2ccccc12 1571150 SFMJGTUVOSVJJM-UHFFFAOYSA-N 287.318 3.636 0 40 CHAB CCn1c([C@@H](C)N2CCCCCC2)nc2ccccc21 21175846 KKCGBHHBOSZEGW-CQSZACIVSA-N 271.408 3.993 0 40 CHAB C[C@@H](NC(=O)C1CCCC1)c1cccc(Br)c1 32796148 YNTQPQQCYFZNTD-SNVBAGLBSA-N 296.208 3.817 0 40 CHAB CCCN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O 6657401 IQROIWDYTIAYBM-SOFGYWHQSA-N 287.793 3.848 0 40 CHAB O=C(NCC1CCCCC1)Nc1ccccc1F 6926965 DOEQAAXUMQDFCN-UHFFFAOYSA-N 250.317 3.528 0 40 CHAB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C 519475 VRAQFSFGVZLHAG-RCOZHRDHSA-N 286.371 3.951 0 40 CHAB CCCOC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 8306440 PDHSFXVIMITHHC-UHFFFAOYSA-N 289.375 3.772 0 40 CHAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nccc3N2)s1 12357592 XVDUXCIJVMKPGD-PSASIEDQSA-N 287.310 3.913 0 40 CHAB CN1C(=O)Cc2cc(-c3csc(-c4ccco4)n3)ccc21 25204747 KKHFMCQYFDWOKY-UHFFFAOYSA-N 296.351 3.589 0 40 CHAB Nc1ccc(Cl)c(C(=O)Nc2ccccc2Cl)c1 20194166 NYLMWXUDQWOAPP-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)CCC2 12643597 PLKPYICPOFMPES-GFCCVEGCSA-N 298.411 3.690 0 40 CHAB CCC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(OC)n1 48309329 QYXGUWDGQOHVDC-GFCCVEGCSA-N 286.375 3.504 0 40 CHAB COc1ccccc1NC(=S)Nc1cccnc1Cl 17023410 VSEFGODXGCBKFC-UHFFFAOYSA-N 293.779 3.553 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccccn1 13331895 NGPCFLIOEPPFIG-SECBINFHSA-N 293.729 3.757 0 40 CHAB Cc1csc(-c2ccc(C(=O)N(C)CC3CC3)cc2)n1 69516735 UAXAHYVYZSMNLM-UHFFFAOYSA-N 286.400 3.601 0 40 CHAB O=C(OCc1ccccc1F)c1c[nH]c2ccccc12 5090405 XIXWPGDYIRBHLG-UHFFFAOYSA-N 269.275 3.664 0 40 CHAB CCCNC(=O)c1ccccc1OCc1cccc(C)c1 22624038 GCQTXFDPEYBPRK-UHFFFAOYSA-N 283.371 3.714 0 40 CHAB Cc1cccc(OCCCn2c(=O)sc3ccccc32)c1 4503894 KJLZFSBURVDWKP-UHFFFAOYSA-N 299.395 3.841 0 40 CHAB CN(C)c1cccc(C(=O)Oc2ccccc2Cl)c1 5660198 GJJCPVTVEXQBBF-UHFFFAOYSA-N 275.735 3.625 0 40 CHAB O=Cc1ccc2ccn(Cc3ccc(F)cc3)c2c1 15424313 WUYWIHITGRSHHX-UHFFFAOYSA-N 253.276 3.641 0 40 CHAB Cc1cc(C)c(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(C)c1 8988065 ITLNKZMPZWIZLL-XYPWUTKMSA-N 299.414 3.946 0 40 CHAB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1Cc1cccc(O)c1 93322857 DKKSVZVVGGQGJS-ZRGWGRIASA-N 297.398 3.743 0 40 CHAB c1ccc(CCNCc2ccc3cc[nH]c3c2)cc1 19737384 RKUUFEZQKGWYJD-UHFFFAOYSA-N 250.345 3.500 0 40 CHAB Cc1c(N)cccc1NC(=O)c1cccc(OC(C)C)c1 19736759 YKKKLGDAPFFWBF-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB CC[C@@H](C)N[C@H](C)c1ccccc1Br 19882216 ROSKTXKLTYIKJN-NXEZZACHSA-N 256.187 3.898 0 40 CHAB Nc1ncc(-c2cc(Cl)c(Cl)cc2Cl)cn1 96312588 HJYWMFRVUJPFMN-UHFFFAOYSA-N 274.538 3.686 0 40 CHAB Cc1cscc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1 94246454 BLQBNQSYXAVWQL-UHFFFAOYSA-N 295.747 3.660 0 40 CHAB C[C@@H](CCc1ccco1)NC1CCN(C2CCCC2)CC1 95419375 HRFRTUBDRSAARM-HNNXBMFYSA-N 290.451 3.597 0 40 CHAB CCO[C@@H](C)c1nc(-c2ccc(NC(C)=O)cc2)cs1 78936189 GFKHUOLLOFMFLB-JTQLQIEISA-N 290.388 3.866 0 40 CHAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cn1 9949363 FGMXIGGYAMAQMV-UHFFFAOYSA-N 290.750 3.613 0 40 CHAB COc1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1 408588010 VVBPLTGOERIJLZ-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB OCc1cc(-c2cnc3ccccc3c2)ccc1F 65371537 MPURALMHJFCKLN-UHFFFAOYSA-N 253.276 3.533 0 40 CHAB CC(=O)CCCSc1ccc(Br)cc1 35229265 GCWNNXAGXSOJPS-UHFFFAOYSA-N 273.195 3.910 0 40 CHAB O=C(O)[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 70453300 NMCRUXBLROFGNU-QWRGUYRKSA-N 262.692 3.788 0 40 CHAB O=C(c1cc(Br)cs1)C1CCCC1 70598609 MSSUVGRHIPOOGJ-UHFFFAOYSA-N 259.168 3.884 0 40 CHAB COc1ccc(NC(=S)Nc2ccccc2C)cc1F 44194825 BOXSPKVCISAIMI-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CNc1nc2c(s1)[C@H](c1cc(F)ccc1F)CC(O)=N2 49549687 WMKHXSOCVOJALP-QMMMGPOBSA-N 295.314 3.587 0 40 CHAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccccc1Cl 222570372 SERZTRSBMCUZAP-UHFFFAOYSA-N 289.766 3.814 0 40 CHAB Clc1cccc(Cl)c1SC[C@H]1CCCN1 83308935 LXDXYSHOVORJLN-MRVPVSSYSA-N 262.205 3.838 0 40 CHAB Cc1oncc1-c1csc(COCc2ccccc2)n1 194941469 OBZVNETYPJGADJ-UHFFFAOYSA-N 286.356 3.823 0 40 CHAB Cc1cccnc1NC(=S)N[C@@H](C)c1ccc(F)cc1 225474852 CPPBZAJWQRSEKK-NSHDSACASA-N 289.379 3.577 0 40 CHAB CC[C@@H](NC(=O)C(C)C)c1ccc2c(c1)CCCC2 223139739 UBIOCWBCNSMXDN-MRXNPFEDSA-N 259.393 3.789 0 40 CHAB CCOC(=O)C[C@H](C)c1ccc(Br)cc1 148090109 TUBWKXUHZGWKFF-VIFPVBQESA-N 271.154 3.506 0 40 CHAB Cc1nc(C(C)C)c(C(=O)Nc2ccccc2O)s1 96231038 IJYUNLRGXMIKEK-UHFFFAOYSA-N 276.361 3.533 0 40 CHAB CC(C)n1cc([C@H](C)NC[C@H](C)c2ccsc2)cn1 96478888 FJBLTJLVJXQILC-STQMWFEESA-N 277.437 3.980 0 40 CHAB O=C(c1cccc(Cl)c1)C(F)(F)C(F)(F)F 95916623 UFVFDZJTNOELFY-UHFFFAOYSA-N 258.573 3.720 0 40 CHAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)cc1 100018250 WFABACNPVFIEPX-LGBHXNNWSA-N 286.371 3.618 0 40 CHAB in-vitro CCc1nc(C)c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 106577994 UQMZLCINWXDQQI-BQUFFADESA-N 292.448 3.568 0 40 CHAB COc1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1 5538430 XCFAYFLWANDTRI-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB CCc1cc(=O)[nH]c(SCc2cccc3ccccc23)n1 13115378 CEEKRLCASLUHNE-UHFFFAOYSA-N 296.395 3.778 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1C 13582248 SKGHRJJUMMTLBE-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCn1nc(C)cc1NC(=O)c1ccc(Cl)cc1Cl 13656445 HEMZXYNIJJAYTL-UHFFFAOYSA-N 298.173 3.771 0 40 CHAB C[C@@H](NC(=O)CCCOc1ccccc1)c1ccccc1 14398755 MMGGXWRBGPBLFJ-OAHLLOKOSA-N 283.371 3.723 0 40 CHAB Fc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1 17744251 RTFDSRRBFSMYGP-UHFFFAOYSA-N 259.368 3.884 0 40 CHAB CCOP(=O)(CC(=O)c1c[nH]c2ccccc12)OCC 19735937 PGMJTAAMJLMNGE-UHFFFAOYSA-N 295.275 3.617 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2[nH]1 1775996137 WZHUNGWYRLXOHU-GASCZTMLSA-N 280.371 3.881 0 40 CHAB c1ccc(CN2CCCCC[C@@H]2c2ccncc2)nc1 95351186 AXNZDEOHWQOCIN-QGZVFWFLSA-N 267.376 3.594 0 40 CHAB CCCC[C@H](CC)CNC(=O)Cc1cccs1 2739444 NFHCBWIMPRHLFX-LBPRGKRZSA-N 253.411 3.623 0 40 CHAB CCc1cc(=O)oc2cc3oc4c(c3cc12)CCCC4 95154 IVVVKLCMTBRXMF-UHFFFAOYSA-N 268.312 3.980 0 40 CHAB biogenic Cc1cccc(N2NC3(CCCCCC3)NC2=S)c1C 132072 SXIWTRHGFXXZDK-UHFFFAOYSA-N 289.448 3.553 0 40 CHAB CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC(=O)C[C@@H]12 155030 IMKJGXCIJJXALX-VZAMPYOESA-N 250.382 3.935 0 40 CHAB biogenic CCCCNC(=O)c1csc(-c2ccc(C)cc2)n1 29513884 PAITWWFRZBDWEN-UHFFFAOYSA-N 274.389 3.648 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1C=CCC1 8137221 FELHPAXYAJDCLF-NSHDSACASA-N 279.767 3.952 0 40 CHAB c1coc(-c2cc(-c3cc(-c4ccco4)on3)no2)c1 1588229 UKMQHCABKJHFKY-UHFFFAOYSA-N 268.228 3.850 0 40 CHAB Cc1ccccc1COc1ccc2c(C)cc(=O)oc2c1 3451245 ROOBAKIXLJQBTB-UHFFFAOYSA-N 280.323 3.989 0 40 CHAB C[C@@H]1C(O)[C@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 4119586 GGCLDJYYOISOSI-KXJAXRNWSA-N 281.399 3.705 0 40 CHAB Cc1cc2cc(CNC3CCCCC3)c(=O)[nH]c2cc1C 4130515 ULRSECCAYRPPEL-UHFFFAOYSA-N 284.403 3.567 0 40 CHAB CC(C)(C)NC(=O)c1ccccc1-c1nc2ccccc2[nH]1 4158420 KLHGZQRXMMATAC-UHFFFAOYSA-N 293.370 3.758 0 40 CHAB Cc1ccc(N[C@@H](C(=O)O)c2ccc(C)cc2)cc1 4244973 IIVYGROMGQUZOO-OAHLLOKOSA-N 255.317 3.541 0 40 CHAB C1CCN(C[C@H]2CO[C@]3(CC[C@@H]4CCCC[C@@H]4C3)O2)CC1 4713521 XBGMCAWJVPHBRD-XWTMOSNGSA-N 293.451 3.574 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccc(F)c(Cl)c2)s1 7996333 NFTLOVIZRUJILN-UHFFFAOYSA-N 284.743 3.805 0 40 CHAB Cc1ccc(NC(=O)c2sc(C(C)C)nc2C)nc1 32924425 FORWIWHHCIGMKY-UHFFFAOYSA-N 275.377 3.531 0 40 CHAB C[C@]12CC[C@@H](O)[C@@H](C[C@H]3[C@@H]4CCC[C@]4(C)CC[C@H]31)C2=O 103938859 MEAPGCUXQDUQKX-KKXFHGEXSA-N 276.420 3.569 0 40 CHAB COc1ccc(/N=c2\ccoc3ccc(C)cc23)cc1 12374270 KSFPYFGIJQSWTF-FBMGVBCBSA-N 265.312 3.982 0 40 CHAB Cc1[nH]c2ccc(F)cc2c1/C=C/c1cc[n+](C)cc1 9303494 URYVYNCDQSMWSK-UHFFFAOYSA-O 267.327 3.610 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](C)C1 22510304 NUPCVCUTSLXBFG-GXTWGEPZSA-N 295.810 3.756 0 40 CHAB C[C@H](Sc1ccccn1)c1nnc(-c2ccccc2)o1 36397663 QKDJCGFPOFOIBM-NSHDSACASA-N 283.356 3.985 0 40 CHAB CC(C)Sc1nnc(-c2c[nH]c3ccccc23)o1 11300464 BSZQYXRCLPSIJE-UHFFFAOYSA-N 259.334 3.718 0 40 CHAB CCCn1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1 28239527 PVSVAVBOVXVWQS-UHFFFAOYSA-N 297.280 3.564 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 3454984 MAPCDSWAEFTVIT-MLGOLLRUSA-N 251.329 3.948 0 40 CHAB aggregator C[C@@H](c1ccccc1)[C@H]1NN=C(c2ccccc2)S1 409080025 HJKBWXRGVJJQGO-WFASDCNBSA-N 268.385 3.814 0 40 CHAB Cc1ccc(C)c(OCCCCn2nnc3ccccc32)c1 5015529 XLZZCFHYUNGCRN-UHFFFAOYSA-N 295.386 3.907 0 40 CHAB Cc1ccc(CNCc2ccc(Br)o2)cc1 6560688 ARNPRYZUBCMUJI-UHFFFAOYSA-N 280.165 3.640 0 40 CHAB c1ccc2c(-c3csc(N4CCCC4)n3)c[nH]c2c1 6541201 IFGHGFLRGFVXTH-UHFFFAOYSA-N 269.373 3.892 0 40 CHAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 22520642 KYXAEKQNSCIXCE-AAWPKVBNSA-N 295.382 3.976 0 40 CHAB CCC[C@H](NC(=O)/C=C/c1ccco1)c1ccccc1 14903592 JKFUNDYCZZLOCU-PCUGXKRQSA-N 269.344 3.950 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 20490265 BTIPFIWQDANXHM-SMDDNHRTSA-N 283.799 3.802 0 40 CHAB Cc1nnc(CSc2nc3cc(Cl)ccc3s2)o1 7544514 VVDQCJVNKSOZJS-UHFFFAOYSA-N 297.792 3.933 0 40 CHAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccco2)cc1C 22538038 QLFNZVLRQWSVQE-CYBMUJFWSA-N 257.333 3.696 0 40 CHAB Fc1cc2nc(Cl)ccc2cc1Br 71790294 OIAINONUWSVHGO-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB in-vitro Cc1nc(-c2cccc(C(=O)N3CCCCC3)c2)cs1 89712625 QHTDNQVIZDXRSW-UHFFFAOYSA-N 286.400 3.745 0 40 CHAB Cc1nc2ccc(NC(=O)c3cc4c(s3)CCC4)cc2o1 126006718 SVUSQZRWZALORI-UHFFFAOYSA-N 298.367 3.939 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccccn1 72210970 WWWLTEYQTLVRCC-MRXNPFEDSA-N 282.343 3.555 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2N 61946922 SXFQJBRXNODJBV-KYQPOWKGSA-N 289.463 3.637 0 40 CHAB CC(=O)N1CCC[C@@H](Cc2cncc(-c3ccccc3)c2)C1 72365091 DXYWXSVGJQWDTR-INIZCTEOSA-N 294.398 3.550 0 40 CHAB COc1ccccc1-c1cc(-c2ccc(F)cc2)nc(N)n1 71977671 SZPDEKUAPZDQET-UHFFFAOYSA-N 295.317 3.541 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)CCc1ccccc1F 47219967 WRNFNKSSFGPNRK-ZDUSSCGKSA-N 283.346 3.736 0 40 CHAB COC(=O)c1c(Cl)cc(Cl)cc1Br 504386055 BPKFEEIODHSYNG-UHFFFAOYSA-N 283.936 3.543 0 40 CHAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCCCC1 89473556 NXVTVCNJNZLOSF-HOTGVXAUSA-N 287.403 3.591 0 40 CHAB CC1(C)CCNc2ccc(Br)c(F)c21 225811639 OHDVTGTUNWJZHN-UHFFFAOYSA-N 258.134 3.681 0 40 CHAB CSCCC(=O)c1cccc(OC(F)(F)F)c1 136155824 VEOSNFOTKBTFRU-UHFFFAOYSA-N 264.268 3.521 0 40 CHAB COC(=O)Nc1ccc(OCc2sc(C)nc2C)cc1 96428853 KBPPPFNKSZVCLB-UHFFFAOYSA-N 292.360 3.517 0 40 CHAB Cc1cccc(CCCNC(=O)c2cc(C)ccc2C)c1 96726966 GUJKHQCMPUCXMP-UHFFFAOYSA-N 281.399 3.974 0 40 CHAB CCCn1cc(NCc2cn(C3CCCC3)nc2C)cn1 256049824 BQICBUQBOYTPQQ-UHFFFAOYSA-N 287.411 3.525 0 40 CHAB COc1ccc(-c2cncc(Br)c2C)cc1 116840065 FVAFAAKOWUXSNM-UHFFFAOYSA-N 278.149 3.828 0 40 CHAB CC(=O)CCSc1nnc(Nc2cccc(C)c2)s1 5109174 QJDPUWFKIIIUIL-UHFFFAOYSA-N 293.417 3.661 0 40 CHAB CC[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc(F)cc1 12146569 VYAJLOAAPYDGIG-ZDUSSCGKSA-N 288.322 3.572 0 40 CHAB Cc1cc(C)cc(OCC(=O)N2c3ccccc3C[C@@H]2C)c1 13676335 XFYOOQLEVGBGCN-HNNXBMFYSA-N 295.382 3.660 0 40 CHAB Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccccc2F)c1 14573701 WGAJUDMAXGYYLF-CQSZACIVSA-N 285.362 3.862 0 40 CHAB Oc1nc(C(Cl)(Cl)Cl)nc2ccc(Cl)cc12 16954974 ASFXDUJGXVYDJM-UHFFFAOYSA-N 297.956 3.816 0 40 CHAB CC(C)OC(=O)c1cccc(-c2ccc(C(=O)O)cc2)c1 2528966 VZZVGCVCDJYOGX-UHFFFAOYSA-N 284.311 3.617 0 40 CHAB O=C(NC1CCCC1)N1CCCC[C@H](c2ccccc2)C1 575413795 VKCFFKICYRNRDR-INIZCTEOSA-N 286.419 3.908 0 40 CHAB Cc1cccc(CNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c1 40059685 QGXMIBMEERFVMV-YOEHRIQHSA-N 297.398 3.960 0 40 CHAB Cc1cc2cc(NC(=O)c3cccc(F)c3)ccc2[nH]1 40072705 KWKOPQHJMPQVPD-UHFFFAOYSA-N 268.291 3.868 0 40 CHAB COc1ccc(NC(=O)Nc2ccccc2)c(C)c1 51354575 UZQGSWJHUJTXHY-UHFFFAOYSA-N 256.305 3.648 0 40 CHAB c1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1 21552 XLCADHFWQMINBW-UHFFFAOYSA-N 287.326 3.535 0 40 CHAB CN(C)c1ccc(-c2nnc(-c3ccccc3F)o2)cc1 422218 NYOUUGABBOANHV-UHFFFAOYSA-N 283.306 3.609 0 40 CHAB COc1cccc(=O)c2c(C)n(-c3cccc(C)c3)c(C)c12 488092 ROPJMAZRCJIAMS-UHFFFAOYSA-N 293.366 3.925 0 40 CHAB biogenic CCN(CC)Cc1ccc(NC(=O)c2cccs2)cc1 568241 OQCFVTIYCOZMJZ-UHFFFAOYSA-N 288.416 3.842 0 40 CHAB CN(C)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 2663085 JAXSTDPBMDZYEX-SFHVURJKSA-N 294.398 3.560 0 40 CHAB CC(C)NCCC[C@@H](C)Nc1cc(O)cc2cccnc12 1687527 BQXVFZVEBYAYEJ-CYBMUJFWSA-N 287.407 3.519 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2O)cc1 362700 DLXNCRQYDPODHW-UHFFFAOYSA-N 269.344 3.942 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)[C@H]1C[C@H]2C=C[C@H]1C2 102226374 ZIVWOLKXHXVHDY-JURCDPSOSA-N 285.412 3.552 0 40 CHAB CC[C@@H](CO)NCc1ccc2c(c1)c1ccccc1n2CC 4942789 GMDMEZBPLAVYCY-HNNXBMFYSA-N 296.414 3.675 0 40 CHAB COc1ccc(-c2nc3cc(C)ccc3o2)c(OC)c1 6523002 KOQDBNJUSLBPKV-UHFFFAOYSA-N 269.300 3.820 0 40 CHAB CCOc1cc(C(=O)Nc2ccccc2C)ccc1OC 6892322 DQRZJVNRVXAEKV-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB CSCc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c1 21875602 WPIXYKQRFYSUGQ-SWLSCSKDSA-N 277.433 3.858 0 40 CHAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccccc1C)C2 8571321 KHKZZFCEWWFSRI-UHFFFAOYSA-N 294.398 3.566 0 40 CHAB Cc1nccc(-c2cccc(NC(=O)C[C@@H]3C=CCC3)c2)n1 33124913 LRQDMPUNYDEURK-CQSZACIVSA-N 293.370 3.747 0 40 CHAB O=Cc1c(Cl)cc(OC(F)(F)F)cc1Cl 12359226 OEMRSHNCSCRBQT-UHFFFAOYSA-N 259.010 3.705 0 40 CHAB in-vitro O=C(NCc1cccs1)Nc1cccc2cnccc12 47463733 UDHNWYBGQZZPTO-UHFFFAOYSA-N 283.356 3.618 0 40 CHAB CC1(C)CCC(c2ccc(Cl)c(Cl)c2)=[N+]1[O-] 3051262 JGCZOQJLYGTEKR-UHFFFAOYSA-N 258.148 3.865 0 40 CHAB Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c(C)c1 3159242 CZUQHNDZLWWUAG-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB Cc1ccc(CN(C)C(=O)c2cccc(C)c2)cc1 20491701 OJEFIRRLPUUZSY-UHFFFAOYSA-N 253.345 3.576 0 40 CHAB CCCCNc1ncnc2c1[nH]c1ccc(C)cc12 2429312 RDWDBGPDKHJUJL-UHFFFAOYSA-N 254.337 3.632 0 40 CHAB C[C@@H]1CCCC(=O)[C@@H]1CCC1(C)OCC(C)(C)CO1 65747661 HBRCWDWNTABTHO-CHWSQXEVSA-N 268.397 3.561 0 40 CHAB in-vitro Cc1ccc(C(=O)Nc2cccc(Cl)c2F)o1 9336689 YYIRVLJWKJBUKN-UHFFFAOYSA-N 253.660 3.633 0 40 CHAB COCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 14187590 LKEJXOPAYIDUCL-UHFFFAOYSA-N 291.734 3.717 0 40 CHAB Cc1ccc(C(=O)CSc2nc(C)cc(C)n2)c(C)c1 5538435 FQBXXYUCXUJJAH-UHFFFAOYSA-N 286.400 3.685 0 40 CHAB CC(=O)Nc1ccccc1CN(C[C@H]1C[C@H]1C)C(C)C 93661790 XXXLBZURADZAMR-CZUORRHYSA-N 274.408 3.511 0 40 CHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCCCCC1 16088920 LTRYDBOQZUCDEW-FMIVXFBMSA-N 299.823 3.517 0 40 CHAB CN(Cc1ccc(F)cc1)C(=O)Cc1c[nH]c2ccccc12 9216684 KQSUEYRHHZDCND-UHFFFAOYSA-N 296.345 3.508 0 40 CHAB CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C)C[C@@H]1C 95407513 YYJKHSYWKMSSGB-NEPJUHHUSA-N 294.370 3.877 0 40 CHAB Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1O 95997696 FARMKOHCYFMLPS-GOSISDBHSA-N 295.382 3.972 0 40 CHAB C[C@@H]1CC[C@](C)(COC(=O)c2ccc(N)cc2)C1(C)C 3846130 WMLGAKFDNAXYLH-SJKOYZFVSA-N 275.392 3.888 0 40 CHAB biogenic Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C 37947597 OMVATZCWHRWFGZ-UHFFFAOYSA-N 265.312 3.937 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cnc(C(C)C)nc2C)c1 75437016 YJGNOACBOIYBQR-UHFFFAOYSA-N 283.375 3.778 0 40 CHAB CN1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1 8375985 HBRJVFXVZGIHPA-UHFFFAOYSA-N 292.382 3.735 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2C)cc1C 32753748 IMNHZCUUAIVHOH-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB N[C@@H]1C[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 70453081 GKVNCHFBXNLICC-GHMZBOCLSA-N 267.250 3.780 0 40 CHAB O=C(Nc1ccccc1)c1cc2cccc(Cl)c2oc1=O 226039188 RFRKOPPWYOHADV-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB CCC(C)(C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225073848 YKCZUXYKOGQOAL-CYBMUJFWSA-N 289.419 3.638 0 40 CHAB C[C@H](NN)c1ccc(-c2ccc(Br)cc2)cc1 199534608 QKOVAZNPRZFREC-JTQLQIEISA-N 291.192 3.640 0 40 CHAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C)c1 225689710 WEZKKZDKNIHLLE-KRWDZBQOSA-N 293.407 3.783 0 40 CHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)cc1 225691413 PVCXNZKHKIDIHW-INIZCTEOSA-N 279.380 3.619 0 40 CHAB CCN(c1ccccc1Oc1ccccc1)[C@@H](C)C(=O)O 225006492 YQMOCIFUFQDJEL-ZDUSSCGKSA-N 285.343 3.778 0 40 CHAB CCCOc1ccc2nc(Br)sc2c1 85389835 FPJZFUDBQVBFJL-UHFFFAOYSA-N 272.167 3.848 0 40 CHAB COC(=O)CCCC(=O)c1cc(Cl)ccc1Cl 82726229 IUAIWYMDRDIOAN-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB COc1ccc(C(=O)c2cccc(Cl)c2C)c(OC)c1 95916353 ISWHUIANFPSGSD-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB CC(C)Oc1nc2cccc(C(F)(F)F)c2cc1C(=O)O 685937021 HGLBFKZZRZZKQF-UHFFFAOYSA-N 299.248 3.739 0 40 CHAB CCc1cc(C(=O)N(C)[C@H](C)c2ccccn2)sc1C 67998887 GLGMOOBMGAJPEK-LLVKDONJSA-N 288.416 3.847 0 40 CHAB Cc1ccc(C(=O)Nc2nnc(CC(C)(C)C)s2)cc1 268434 DVLFUPAYIZYMDD-UHFFFAOYSA-N 289.404 3.687 0 40 CHAB O=C(/C=C/c1ccccc1)Oc1nc2ccccc2s1 64490 DFLBZJGZSUCTTN-ZHACJKMWSA-N 281.336 3.915 0 40 CHAB Cl/C(=C\C=[N+]1CCCC1)c1ccc(Cl)cc1 5750131 QAMKNJZJLCNBOH-QPEQYQDCSA-N 255.168 3.797 0 40 CHAB COc1ccc(C2=[N+]([O-])C(C)(C)[C@@H](c3ccccc3)C2)cc1 5640892 NZNKHJOMLMNGAW-QGZVFWFLSA-N 295.382 3.961 0 40 CHAB CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1OC 12339638 VEOHYGKOFJTEDW-UVTDQMKNSA-N 295.338 3.587 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=O)c1ccccc1 13550194 WBMULNOFMGKWPA-KBMXLJTQSA-N 288.387 3.873 0 40 CHAB biogenic,in-vitro Brc1ccccc1NCc1ccco1 19922553 XUKXYTVACOQADE-UHFFFAOYSA-N 252.111 3.654 0 40 CHAB Cc1noc(C)c1CN[C@@H](C)c1ccccc1Cl 20253187 KTUUPQFQHNPAIJ-VIFPVBQESA-N 264.756 3.796 0 40 CHAB Cc1ccccc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 29351737 MTQOFGOPCSJAKM-UHFFFAOYSA-N 283.356 3.699 0 40 CHAB C=Cc1ccccc1N[C@@H](C(=O)O)c1ccccc1 1575942 SXZFCGHEKOLHMD-OAHLLOKOSA-N 253.301 3.567 0 40 CHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 364833 SZNRIJREISNQLD-CQSZACIVSA-N 299.370 3.718 0 40 CHAB Oc1ccnc2c(Br)c(C(F)(F)F)ccc12 1848350343 DTONLVMLXAZPSN-UHFFFAOYSA-N 292.054 3.722 0 40 CHAB Cc1cc(C)cc(OCC(=O)NC[C@H](C)c2ccccc2)c1 8167313 YJVGSGTWXPUGLT-INIZCTEOSA-N 297.398 3.602 0 40 CHAB CCCn1cc2c(C(F)(F)F)cc(Cl)nc2n1 12398136 ZSPHKFOGPMLZEL-UHFFFAOYSA-N 263.650 3.514 0 40 CHAB c1ccc2nc(SCc3nc4ccccc4[nH]3)cnc2c1 532653 LVFSSBPQBDSTDJ-UHFFFAOYSA-N 292.367 3.798 0 40 CHAB CCc1ccc(C(=O)CC[C@@H]2CCCCC2=O)cc1 521745 MIUJHQDOKLUNNU-AWEZNQCLSA-N 258.361 3.971 0 40 CHAB CC(=O)c1c(C)nc(-c2ccc(Cl)cc2Cl)n1O 526221 ZXCOHDCQMVYPIW-UHFFFAOYSA-N 285.130 3.605 0 40 CHAB C[C@@H]1[C@@H](NC(=O)Cn2ccc3ccccc32)CCC[C@H]1C 103142571 IBVFHTJJEKWKLG-YCPHGPKFSA-N 284.403 3.582 0 40 CHAB CCCCC[C@@H](C)NC(=O)c1cn2cc(Cl)ccc2n1 12323711 OXZRFYKPLSSUPK-LLVKDONJSA-N 293.798 3.686 0 40 CHAB CC(C)=CC(=O)N1CC[C@@H](C)Sc2ccccc21 22897960 PZSGCPCWZZZOCO-GFCCVEGCSA-N 261.390 3.870 0 40 CHAB COc1ccc(-c2nc(CN(C)Cc3ccco3)co2)cc1 42652064 QHYROITYCYETBN-UHFFFAOYSA-N 298.342 3.575 0 40 CHAB C[C@@H](c1ccc2ccccc2c1)N(C)C(=O)c1csnn1 56175780 DBECWBSNGNNGOM-NSHDSACASA-N 297.383 3.525 0 40 CHAB CC(C)[C@@H](NC(=O)c1ccoc1)c1ccc(F)cc1 26867987 FPHBEEFLRURELW-CQSZACIVSA-N 261.296 3.546 0 40 CHAB Cc1ccc2nc(NC(=O)CC[C@@H]3CCCO3)sc2c1 48234687 AJJHUFDIUMRBDI-NSHDSACASA-N 290.388 3.502 0 40 CHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)c1ccccc1 20495125 RZROJIMQXNQXCG-KRWDZBQOSA-N 299.370 3.516 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(OC2CCCC2)c1 29028398 JDXOJYLZNQXQLU-ABAIWWIYSA-N 259.349 3.603 0 40 CHAB CCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 12812406 YEACGTRBZCDMBO-UHFFFAOYSA-N 271.385 3.654 0 40 CHAB COc1cccc(CC(=O)Nc2ccc(F)c(Cl)c2)c1 3565877 PBUDGJOTHJUBRB-UHFFFAOYSA-N 293.725 3.669 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccccc2)c1C 3523635 XSYBXWPZKHUPOI-UHFFFAOYSA-N 287.384 3.809 0 40 CHAB C[C@H]1CCN(C(=O)c2ccccn2)c2ccccc2S1 12980683 LCJZMHXPSCTDAA-LBPRGKRZSA-N 284.384 3.613 0 40 CHAB C[C@@H](CCc1cn(C)c2ccccc12)NC(=O)c1ccco1 3765594 YQMWHLTZYBQPHC-ZDUSSCGKSA-N 296.370 3.522 0 40 CHAB C[C@H](C1CC1)N(C)C(=O)c1ccnc(Oc2ccccc2)c1 69586235 QJEGYIKUXDIXNO-CYBMUJFWSA-N 296.370 3.744 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]1c1ccccc1 6340525 MQPGNHOUIMXJOI-SNXNFCLHSA-N 295.426 3.875 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1ccc(NC(C)=O)cc1 4438374 OKGRXYKHNFHOLP-CYBMUJFWSA-N 276.380 3.800 0 40 CHAB O=C(Cc1ccsc1)Nc1ccnn1C1CCCCC1 6553305 AEAUVPYCLNZUJZ-UHFFFAOYSA-N 289.404 3.631 0 40 CHAB CC1CCN(C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 4723259 IVIGFDJXCVSDLP-FUHWJXTLSA-N 278.484 3.761 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)CCC2 5611139 OKEMFPRWPHMEKZ-FMIVXFBMSA-N 263.340 3.827 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CC=CCC1 7609517 QCSHFLQAESJMKF-SNVBAGLBSA-N 280.165 3.744 0 40 CHAB Cc1nc(CN[C@H](C)c2ccsc2)c(C)s1 90889363 KGMWDOJFTREDEO-MRVPVSSYSA-N 252.408 3.672 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(N)c2)c1 19735993 DPKXRHYIDYGCHS-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB CC[C@H](C)N[C@@H](C)c1cccc(Br)c1 19882000 HLHHDMMWSRCUBS-UWVGGRQHSA-N 256.187 3.898 0 40 CHAB C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 71840048 WTSPGRKRJWUKPT-SWLSCSKDSA-N 282.387 3.530 0 40 CHAB CC(C)N(Cc1csc([C@H]2CCCO2)n1)C(C)C 97048561 IVEJFXRDRGRWNZ-CYBMUJFWSA-N 268.426 3.613 0 40 CHAB Cc1cc(Sc2nc(C)c(C)o2)nc(-c2ccccn2)n1 95351233 NFOJLEAANGSQSR-UHFFFAOYSA-N 298.371 3.603 0 40 CHAB Cc1noc(C)c1CN1c2ccccc2SC[C@H]1C 75106325 RNZYZVYBIUEMLI-SNVBAGLBSA-N 274.389 3.792 0 40 CHAB O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc(F)c1F 76017339 QNRIPXBOVDTSEH-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC(C)C 30756073 ZAFDXDJNXUPDEY-MRXNPFEDSA-N 277.408 3.623 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2cc(C)cc(C)c2)c1C 32753699 ZSAUMYQCJWDOTQ-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB Clc1ccccc1-c1csc2ncn3cnnc3c12 36646075 MIALRUHFDMVWQK-UHFFFAOYSA-N 286.747 3.659 0 40 CHAB Cc1cc([C@@H](C)NC(=O)NCc2ccccc2)c(C)s1 31662770 FMKONYFQIQEDQR-GFCCVEGCSA-N 288.416 3.925 0 40 CHAB CC1(NC(=O)Cc2ccc3ccccc3c2)CCCC1 48326102 QCJUSGBNPKZZPV-UHFFFAOYSA-N 267.372 3.831 0 40 CHAB COc1cc2ccccc2cc1C(=O)N[C@H](C)C(C)C 225218432 RFLHBYGTDXYLFF-GFCCVEGCSA-N 271.360 3.623 0 40 CHAB Cc1cccc(CSCC(=O)N2CCc3ccccc32)c1 222740383 JTTPAABGKAHLAC-UHFFFAOYSA-N 297.423 3.818 0 40 CHAB Brc1cccc(COCc2ccco2)c1 49600913 SADHLZRXWDIUDS-UHFFFAOYSA-N 267.122 3.759 0 40 CHAB Cc1cc(C)nc(S[C@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)n1 226539798 ZXXWVGOLGNDPMP-PVXIVEMSSA-N 290.432 3.579 0 40 CHAB CCOC(=O)c1cc(-c2csc(C)n2)ccc1OCC 85397542 XWKKQTNSDHGKSP-UHFFFAOYSA-N 291.372 3.694 0 40 CHAB CCc1nc2cc(C(=O)Nc3ccccc3C)ccc2n1C 225896149 JCLRTIYQZPMRMX-UHFFFAOYSA-N 293.370 3.696 0 40 CHAB O=C(NCc1ccsc1)c1ccccc1SC(F)F 42936699 ZXCSQBGCYWLEIG-UHFFFAOYSA-N 299.367 3.993 0 40 CHAB CN(C)c1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)c1 98010448 OINXZCKSPQYETG-QAPCUYQASA-N 298.430 3.772 0 40 CHAB CCCOc1c(C(=O)O)oc2ccc(Br)cc12 96510841 CAMPQCUTNCTWBV-UHFFFAOYSA-N 299.120 3.682 0 40 CHAB C[C@H]1CSc2ccccc2[C@H]1NCc1cccnc1 95427021 RACKREXTFQOYNZ-LRDDRELGSA-N 270.401 3.654 0 40 CHAB CCCCN(C(=O)c1ccc(C)nc1)c1ccccc1 58557566 AXBBGZWAANEPRO-UHFFFAOYSA-N 268.360 3.837 0 40 CHAB Nc1ccc(OCc2ccccc2)cc1C(=O)C(F)(F)F 95917829 YKGYIJKKPPRBFT-UHFFFAOYSA-N 295.260 3.593 0 40 CHAB C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 5533606 AMRVIJXAPVBXJO-ZDUSSCGKSA-N 259.393 3.856 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)C(Cl)(Cl)Cl 16524718 BWJISJVZYZQPRY-SNVBAGLBSA-N 292.593 3.550 0 40 CHAB Nc1ccccc1SCC(=O)Nc1cccc(Cl)c1 19482830 ITOKVFZDSLCHSD-UHFFFAOYSA-N 292.791 3.653 0 40 CHAB CCOC(=O)c1oc2ccccc2c1NC(=O)CC(C)C 4162580 PDOHRLDNPXVSES-UHFFFAOYSA-N 289.331 3.594 0 40 CHAB CC[C@H](C(=O)c1ccc2c(c1)OCO2)c1ccccc1 575358542 QCUISJIERJZBCB-AWEZNQCLSA-N 268.312 3.792 0 40 CHAB O=C1C[C@@H]2Sc3ccccc3N=C2N1c1ccccc1 101115106 FXDKDNVHQMJYBK-AWEZNQCLSA-N 280.352 3.628 0 40 CHAB COc1cccc(C(=O)c2ccc(Cl)c(F)c2)c1 2574648 RTXFJYBXIYUSGO-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CC(C)[C@@H](NC(=O)/C=C/c1ccncc1)c1cccs1 32247266 XWOGXYRTBTVKJQ-SQRWCISFSA-N 286.400 3.670 0 40 CHAB Cc1noc(C)c1CCC(=O)N(C)C1CCCCCCC1 84023168 GKWDUQQXOLGJPV-UHFFFAOYSA-N 292.423 3.795 0 40 CHAB Cc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1 1372382 MESQQJVXXQIPJC-ZDUSSCGKSA-N 274.389 3.709 0 40 CHAB CC[C@H](NC(=O)c1ccccc1)c1ccc(OC)c(OC)c1 356794 UGXZKWFUEQBXDM-HNNXBMFYSA-N 299.370 3.585 0 40 CHAB CCCC[C@@H](OC(=O)CC)c1ccc2c(c1)OCO2 1687356 QAWQEROQKMFDEZ-GFCCVEGCSA-N 264.321 3.600 0 40 CHAB c1ccc(N2N=N[C@H]3CCC[C@@]32N2CCCCC2)cc1 1720277 ZWPIBSWGWNALCM-HOTGVXAUSA-N 270.380 3.609 0 40 CHAB COc1ccc2c3c(ccc2c1)C1=NCC[C@]1(C)CC3 1725925 ZACAJAJLRYUXFS-SFHVURJKSA-N 265.356 3.994 0 40 CHAB Cc1ccnn1[C@H](C(=O)c1ccccc1)c1ccccc1 2031736 JHOQANFJQYSCSH-KRWDZBQOSA-N 276.339 3.664 0 40 CHAB CCCC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 32676767 JEPYENARRUQVKH-CQSZACIVSA-N 298.386 3.638 0 40 CHAB O=C(CCCc1ccccc1)NCc1cccc(Cl)c1 21310581 PWCWZOMCHIJJIR-UHFFFAOYSA-N 287.790 3.979 0 40 CHAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1OC 6595898 RLXPTDIPCPDUTG-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB CC(C)Sc1nc(N)c2c3c(sc2n1)CCCC3 497193 BPRXXOYHENWXAY-UHFFFAOYSA-N 279.434 3.653 0 40 CHAB CCC[C@H](C)NC(=O)CSCc1ccc(Cl)cc1 6946819 SRBPGXQBJHYBGI-NSHDSACASA-N 285.840 3.878 0 40 CHAB CCc1cccc(CC)c1NC(=O)NCc1ccccn1 401896 FFYPYZYEYOPGCB-UHFFFAOYSA-N 283.375 3.528 0 40 CHAB c1cncc(-c2nc(N3CCCCC3)c3ccccc3n2)c1 520133 CAAZVOZPTSONIZ-UHFFFAOYSA-N 290.370 3.682 0 40 CHAB Fc1ccc(-c2nc(-c3cccnc3Cl)no2)cc1 12428603 LDGYFUKWUHPZBS-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB CCC(=O)c1ccccc1NC(=O)c1cccc(OC)c1 999066 MQNAEDLCTPFDEH-UHFFFAOYSA-N 283.327 3.540 0 40 CHAB C[C@H]1C[C@@H]1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 108900865 AGBTYCCEIOGREX-SBMIAAHKSA-N 271.282 3.539 0 40 CHAB CC(C)(C)c1ccc(C(C)(C)C)c(C(=O)O)c1O 22000309 JECKQUSVOPKCDN-UHFFFAOYSA-N 250.338 3.685 0 40 CHAB O=C(c1cc(Cc2ccccc2)ccc1O)C1CC1 52068543 NQWXMGQCOWEASY-UHFFFAOYSA-N 252.313 3.576 0 40 CHAB O=C(O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 1502402 CSDGKFGDWSKXIS-UHFFFAOYSA-N 298.729 3.891 0 40 CHAB Cc1ccc(CNCCCc2nc3ccccc3[nH]2)s1 35287270 NIQJDZWKEYKMAG-UHFFFAOYSA-N 285.416 3.655 0 40 CHAB C[C@H]1C[C@@H](C)CN(CCCCOc2ccc(F)cc2)C1 1755857 DLVVQEAVYKASPK-GASCZTMLSA-N 279.399 3.963 0 40 CHAB Cc1ccccc1C(=O)NCc1nc2ccccc2s1 57547562 AMAUPOFXOBEFEY-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C 113950444 QIVVLMILMJZMAU-KRWDZBQOSA-N 299.370 3.800 0 40 CHAB Cc1ccccc1NC(=O)C(C)(C)c1ccccc1 3316170 LLUGNXWUOBIXOJ-UHFFFAOYSA-N 253.345 3.911 0 40 CHAB Cc1ncc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)s1 58434113 OQOKMOZGBPSBBU-UHFFFAOYSA-N 299.355 3.722 0 40 CHAB Cc1noc(C)c1CSc1nnc(-c2ccccc2)o1 3352949 MKBMCBYYGVMVCO-UHFFFAOYSA-N 287.344 3.634 0 40 CHAB Cc1ccc(/C=C/C(=O)N2CCc3sccc3C2)c(C)c1 10924643 NDJFHMCPOKLLBJ-AATRIKPKSA-N 297.423 3.963 0 40 CHAB Cc1ccc(CNc2cc(C)nc(C(C)C)n2)cc1 12854640 VNUDQISUFCZVIE-UHFFFAOYSA-N 255.365 3.829 0 40 CHAB CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 5163649 TUIGMBIXSCHNOY-UHFFFAOYSA-N 297.398 3.514 0 40 CHAB biogenic Cc1cc(CSc2nc3ccc(Cl)cc3[nH]2)no1 5270554 HQBKWHNGACALPT-UHFFFAOYSA-N 279.752 3.805 0 40 CHAB CC(=O)Nc1ccc(OCc2cc(C)ccc2C)cc1 5347162 HKYRIIRTIAPHCB-UHFFFAOYSA-N 269.344 3.841 0 40 CHAB Cc1ccccc1CNC(=O)CCc1c[nH]c2ccccc12 14230954 PPHRIDIQLNWJFR-UHFFFAOYSA-N 292.382 3.725 0 40 CHAB Cc1ccc2oc(C(=O)NCc3ccco3)c(C)c2c1 8768811 IWELMGUWWMLERD-UHFFFAOYSA-N 269.300 3.573 0 40 CHAB Oc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 15016427 YMSHSKJZBZKCOR-XBXARRHUSA-N 263.296 3.816 0 40 CHAB in-vivo CC(C)n1nnnc1-c1ccccc1NC1CCCCC1 96011657 YPOLMYXCOSRERJ-UHFFFAOYSA-N 285.395 3.666 0 40 CHAB Cc1cccc(C)c1NC(=O)CN(C)C1CCCCC1 7786528 QSJZFXCGXPWODI-UHFFFAOYSA-N 274.408 3.506 0 40 CHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccs1 7724395 NIAIKDCPFHNKNL-UHFFFAOYSA-N 299.317 3.626 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Cl)cn1 26087429 BDRKSCQFTMUXOH-FPYGCLRLSA-N 276.698 3.526 0 40 CHAB CC(C)c1ccc(N[C@H](C(N)=O)c2ccc(F)cc2)cc1 71822823 CYKRJJUIBDOICP-INIZCTEOSA-N 286.350 3.588 0 40 CHAB N[C@@H](c1ccc2c(c1)OCCCO2)c1ccccc1Cl 19967976 SDMAZUVUXSCFFK-INIZCTEOSA-N 289.762 3.549 0 40 CHAB in-vitro FC(F)(F)c1nc(Cl)nc(Cl)c1Br 75891535 XKQALTZZYLOATN-UHFFFAOYSA-N 295.873 3.565 0 40 CHAB COc1cc(F)ccc1NCc1cnoc1-c1ccco1 95973624 FCDRQUFVRZUIMA-UHFFFAOYSA-N 288.278 3.694 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 20493410 WNNLXYAUHBKABL-HOTGVXAUSA-N 297.398 3.948 0 40 CHAB O=C(O)c1ccc(Oc2ccccc2Br)cc1 20080271 NQZAKIOCMVYKBX-UHFFFAOYSA-N 293.116 3.940 0 40 CHAB Cc1ccc2[nH]c(-c3nc(Cc4ccncc4)no3)cc2c1 546298057 GZXQEZXLFACSMG-UHFFFAOYSA-N 290.326 3.512 0 40 CHAB CCOC(=S)SCC(=O)c1ccc(Cl)cc1 38979792 ASQUVHPLGHBMCT-UHFFFAOYSA-N 274.794 3.577 0 40 CHAB CCc1ccc(CNC(=S)c2ccc(OC)cc2)cc1 408578337 XQDZQOUOMJAGLZ-UHFFFAOYSA-N 285.412 3.723 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)C(C)C)cc1 78362282 AAHXIVSBFMIWGN-QWHCGFSZSA-N 265.422 3.636 0 40 CHAB Cc1occc1[S@](=O)Cc1cc(-c2cccs2)on1 189619807 WCTTYQRUIUEXSI-LJQANCHMSA-N 293.369 3.612 0 40 CHAB CCN(CC)C(=O)CSCc1c(F)cccc1Cl 33795422 AEQLRLNPODAIDO-UHFFFAOYSA-N 289.803 3.581 0 40 CHAB CSc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1 32907487 JLCLQAVAPRCFOZ-INIZCTEOSA-N 298.411 3.781 0 40 CHAB CCCCOc1ccc(Br)cc1OC 95915441 ZPCNCCXXAXGDQW-UHFFFAOYSA-N 259.143 3.637 0 40 CHAB O=C(c1ccc(F)c(Cl)c1)C(F)(F)C(F)(F)F 95916187 KNXMDFKHYIEQMV-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB CSc1ccc(C(=O)c2c(F)cccc2F)cc1 95917254 SHOKDVHHJAKUOG-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB O=C([C@H]1Cc2ccccc21)N1[C@H]2CC[C@H]1c1ccccc12 390833710 LVBFRXANOIUBRZ-BZSNNMDCSA-N 275.351 3.745 0 40 CHAB CO[C@@H]1CN(C2CCCC2)CC[C@@H]1Cc1ccc(F)cc1 1615084272 JVUCBUNJWNUPNS-CRAIPNDOSA-N 291.410 3.648 0 40 CHAB CS[C@@H]1CC[C@@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 110641665 NMNCZIMFJFKNIZ-VXGBXAGGSA-N 282.453 3.688 0 40 CHAB O=C(/C=C/c1cccs1)N[C@H]1CCCc2ccccc21 3333164 RVLCXQNEAPIALM-OFAQMXQXSA-N 283.396 3.955 0 40 CHAB CCn1/c(=N\C(=O)C(C)(C)C)sc2cc(C)ccc21 12180863 DPYAPVFDAYMUJW-JQIJEIRASA-N 276.405 3.505 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 13613845 WYLNVEYHKHBZEV-HUUCEWRRSA-N 295.382 3.740 0 40 CHAB Cc1ccc(OCCCC(=O)NCc2cccc(C)c2)cc1 13675426 WZGUYEQTUDBBFJ-UHFFFAOYSA-N 297.398 3.779 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(OC(=O)C3CC3)cc2)c1 15597526 JMXQDJSUWVPPCG-UHFFFAOYSA-N 295.338 3.563 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)[C@@H]1C 17007907 FYNCDKRQFLAWQU-MIZYBKAJSA-N 278.223 3.511 0 40 CHAB Cc1ncc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1 19936965 IDUHGCPEIFAVMH-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB COc1ccccc1CNC(=O)c1ccc2c(c1)CCCC2 5404986 HMHNJJBNYKHERE-UHFFFAOYSA-N 295.382 3.504 0 40 CHAB C[n+]1ccc(/C=C/c2ccccc2O)c2ccccc21 206143 SPUYYCFQLHACCM-UHFFFAOYSA-O 262.332 3.540 0 40 CHAB O=C1C[C@H](c2cccs2)c2c(-c3ccccc3)n[nH]c2O1 4632354 QSJQTNMXUAAYER-LLVKDONJSA-N 296.351 3.579 0 40 CHAB COc1ccc2ccccc2c1C(=O)CCSC 575358625 WUKSEBYWZZFMMM-UHFFFAOYSA-N 260.358 3.784 0 40 CHAB O=C(c1ccc(OC(F)F)cc1)C(Cl)(Cl)Cl 380984186 CYDQTDAVFRNPGS-UHFFFAOYSA-N 289.492 3.841 0 40 CHAB O=c1c2ccccc2sn1-c1ccc(F)c(Cl)c1 5783087 KNZIUIOSXDGDAP-UHFFFAOYSA-N 279.723 3.845 0 40 CHAB CCCC[C@@H](CC)COc1cc(C(=O)O)cc(C(=O)O)c1 20096641 GPCHPCGSBLALBM-LLVKDONJSA-N 294.347 3.678 0 40 CHAB CCOc1ccc(Cc2nc3ccccc3[nH]2)cc1 255836 NNAQVPUEPHRSKJ-UHFFFAOYSA-N 252.317 3.552 0 40 CHAB FC(F)(F)C1=NCCNC(c2ccc3ccccc3c2)=C1 2562083 IDOZJKAWMRBWEK-UHFFFAOYSA-N 290.288 3.787 0 40 CHAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 364754 GRMPLAIFHOJQGY-CQSZACIVSA-N 299.370 3.800 0 40 CHAB Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 357403 FZGXANMBWRQSNK-CABCVRRESA-N 251.329 3.737 0 40 CHAB Cc1ccc(OCC(=O)Nc2ccccc2C)c(C)c1 362529 RTRACLLNISBIBN-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB COC(=O)c1c(C)c(-c2ccccc2)nn1-c1ccccc1 347304 BSNYGFMJLDZIRY-UHFFFAOYSA-N 292.338 3.634 0 40 CHAB CCOc1ccc2c(c1)c(-c1csc(N)n1)c(C)n2C 2218591 IRCOEYJHTQJAJW-UHFFFAOYSA-N 287.388 3.591 0 40 CHAB C[C@@]12CC[C@H]3c4cc(O)ccc4CC[C@@H]3[C@@H]1CC[C@@H]2O 4769222 YEOSPIFUAAHCPK-PSOLEGPJSA-N 272.388 3.609 0 40 CHAB COc1cccc(NC(=S)N[C@H](C)c2ccccc2)c1 7522359 DBJDNXFPVVGUHV-GFCCVEGCSA-N 286.400 3.743 0 40 CHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)cc1 8041647 KVTFILGEZBIRLL-CQSZACIVSA-N 291.297 3.761 0 40 CHAB O[C@H](c1ccc(Oc2ccccc2)cc1)c1ccccn1 59882124 MFHIQJNKKJBXFJ-GOSISDBHSA-N 277.323 3.956 0 40 CHAB Cc1ccsc1C(=O)N[C@@H](C)c1ccc(F)cc1F 23546074 DZUNOHWIMVIRHH-VIFPVBQESA-N 281.327 3.826 0 40 CHAB Cc1c(C(=O)NCc2ccccc2)oc2ccccc12 3164508 ZWTMIORQVYVLGB-UHFFFAOYSA-N 265.312 3.671 0 40 CHAB Cc1cccc(C)c1NC(=O)CNc1cc(F)cc(F)c1 10220051 HMWGUTNQPQXLTM-UHFFFAOYSA-N 290.313 3.632 0 40 CHAB c1ccc2c(CCNc3ncnc4sccc34)c[nH]c2c1 3432071 WIMKLVXDAHSJIM-UHFFFAOYSA-N 294.383 3.827 0 40 CHAB Cc1occc1C(=O)Nc1nc(C(C)(C)C)cs1 13330687 WYRPOAIGBWGGGF-UHFFFAOYSA-N 264.350 3.594 0 40 CHAB CCc1ccc(-c2nc(C)c(C(=O)NC(C)C)s2)cc1 17300988 YNLOBLFHIGNGTC-UHFFFAOYSA-N 288.416 3.819 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CC=CCC1 39975962 VTHMYVUDVMRKCS-OCCSQVGLSA-N 273.401 3.696 0 40 CHAB Fc1ccc(C2=NN=C(Nc3ccccc3)SC2)cc1 6367494 HCLGVZUQCCIUDJ-UHFFFAOYSA-N 285.347 3.745 0 40 CHAB CC1CCN(C(=S)c2cccc(Br)c2)CC1 4723312 JDEXFBCKSVQEAS-UHFFFAOYSA-N 298.249 3.857 0 40 CHAB C[C@@H](SC1CCCC1)c1nc2ccccc2c(=O)[nH]1 15545146 YHPFUMYRZVWJDJ-SNVBAGLBSA-N 274.389 3.660 0 40 CHAB Cc1ccc(OC[C@@H]2CCCNC2)c(C(C)(C)C)c1 20221665 STYRGOFVRJNGPF-CQSZACIVSA-N 261.409 3.671 0 40 CHAB CCc1ccc(O[C@H](C)C(=O)Nc2cccc(N)c2C)cc1 19736328 YTUSLXQABPTLLW-CYBMUJFWSA-N 298.386 3.546 0 40 CHAB CC(C)[C@H](C)[S@](=O)Cc1ncc(Cl)cc1Cl 97148238 RTQCOHWWEMIGQO-PWJLMRLQSA-N 280.220 3.682 0 40 CHAB Cc1ccccc1-c1cc(NC(=O)c2ccsc2)n(C)n1 74286650 VSAKOFBLBGECKB-UHFFFAOYSA-N 297.383 3.709 0 40 CHAB Fc1ccc(OCc2nnc(-c3ccccc3)o2)cc1F 9912895 GFTURZKRGXSWMG-UHFFFAOYSA-N 288.253 3.594 0 40 CHAB Cc1cccc(CNC(=O)Cc2ccccc2Cl)c1 26018111 GARZOSMXVJELQJ-UHFFFAOYSA-N 273.763 3.507 0 40 CHAB FC(F)(F)c1nc2ccc(Cl)cn2c1Br 36533757 XZYBSXQLNHMPPY-UHFFFAOYSA-N 299.477 3.769 0 40 CHAB Cc1cccc(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 72243311 IYCFMQCZHCBPJL-GOSISDBHSA-N 295.382 3.571 0 40 CHAB CC(C)c1ccc([C@H](C)NC(=O)NCc2ccco2)cc1 32841302 BJOBAMSMSUGHPJ-ZDUSSCGKSA-N 286.375 3.963 0 40 CHAB Cc1cc(F)ccc1-c1ccc([C@@H]2C[C@H]2C(=O)O)o1 70452832 LEFFUGLUDJNNAR-VXGBXAGGSA-N 260.264 3.582 0 40 CHAB C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1F 78556016 GREDOJNTQLJTQA-NSPYISDASA-N 280.339 3.975 0 40 CHAB Cc1ccc2ccccc2c1C(=O)c1cccc(N)c1 71445844 HSOKMATZJXSODN-UHFFFAOYSA-N 261.324 3.961 0 40 CHAB COc1ccc(NC(=S)Nc2ccccc2F)cc1F 44194827 FEBUALQFCRTABR-UHFFFAOYSA-N 294.326 3.782 0 40 CHAB CC(=O)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 85346754 AWVMMNXBKDMNGP-UHFFFAOYSA-N 298.125 3.530 0 40 CHAB COC[C@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccco1 96478955 MUVSSQNOMIUYPW-YGRLFVJLSA-N 281.302 3.596 0 40 CHAB O=C(NCc1ccccc1-c1ccsc1)c1ccncc1 96122879 FPDZYWBVDHSUJK-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB O=C(Nc1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 16489391 VWBIGBXHXKNARH-UONOGXRCSA-N 258.365 3.731 0 40 CHAB FC(F)(F)c1ccc(C2OCCO2)c(Br)c1 584624024 RGEKBAMYLIVREZ-UHFFFAOYSA-N 297.070 3.513 0 40 CHAB O=C(/C=C/c1cccs1)N[C@@H]1CCCc2ccccc21 3333161 RVLCXQNEAPIALM-SIFUEBAJSA-N 283.396 3.955 0 40 CHAB CCC(=O)N1CCc2cc(-c3cc4ccccn4c3)ccc21 12241451 WOFNBEGSFNXXSR-UHFFFAOYSA-N 290.366 3.905 0 40 CHAB O=C(CC1CC1)N1CCCC[C@@H](c2ccccc2)C1 390826616 AVOOYKPKCORMOK-MRXNPFEDSA-N 257.377 3.583 0 40 CHAB Cc1ccc(C)c(/C=C2/C(=O)N(C)c3ccccc32)c1 33685436 WJJMQUTZWODZGN-LFIBNONCSA-N 263.340 3.820 0 40 CHAB OC(c1ccccc1)(C(F)(F)Cl)C(F)(F)Cl 1675554 NGSRRJXNAVHKNE-UHFFFAOYSA-N 277.044 3.537 0 40 CHAB O=C1/C(=C/c2ccc(F)cc2)N=C2Sc3ccccc3N12 48552 OEEUDNQGKKKCFJ-XFXZXTDPSA-N 296.326 3.675 0 40 CHAB Cc1ccccc1CN[C@H](c1ccccc1)c1nccn1C 30643126 VIFCOBGEZUFIDS-GOSISDBHSA-N 291.398 3.608 0 40 CHAB CCN(Cc1cccs1)C(=O)NCc1cccc(F)c1 40511868 AHANZAIGOIRTIR-UHFFFAOYSA-N 292.379 3.619 0 40 CHAB FC(F)Sc1ncnc2sc3c(c12)CCCC3 125854 RWKZMMORLIJIDT-UHFFFAOYSA-N 272.345 3.885 0 40 CHAB Cc1c(C)c(C)c2c(c1C)C(=O)c1c(O)cccc1-2 1621784 DIGBHMCPMIWDIU-UHFFFAOYSA-N 252.313 3.837 0 40 CHAB CCC(=O)OC(OC(=O)CC)c1cccc2ccccc12 1676861 CTXYGBAOTWWJBN-UHFFFAOYSA-N 286.327 3.745 0 40 CHAB O=C1C[C@H]2[C@H](CCC23OCCO3)c2ccc3ccccc3c21 1708673 ZMESGXPQBUTYGV-ZBFHGGJFSA-N 294.350 3.663 0 40 CHAB C/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1738096 JATGGLRROLZEEQ-NSCUHMNNSA-N 263.646 3.873 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc3[nH]c(C)cc3c2)cc1 32818546 ZNQGROYLUNHYKP-UHFFFAOYSA-N 278.355 3.966 0 40 CHAB CC(C)CNC(=O)N[C@H](C)c1ccc2ccccc2c1 32862726 BSJLSRAOZGTQQM-CYBMUJFWSA-N 270.376 3.856 0 40 CHAB COc1cccc2sc(NC(=O)c3cccc(C)c3)nc12 6504280 WDDFOXCZWVZZLO-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB Clc1cccc(Cl)c1CNCc1ccco1 7523624 XJQDXGOEVIZSEB-UHFFFAOYSA-N 256.132 3.876 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@H]2CCSc3ccccc32)o1 7777492 XJACSGXCZPLXNN-HVHJFMEUSA-N 299.395 3.955 0 40 CHAB CCc1nn(-c2ccccc2)c(N)c1-c1ccccc1 8080222 KYJOQDHTXYKVGF-UHFFFAOYSA-N 263.344 3.684 0 40 CHAB COc1ccccc1NC(=O)c1cc(C)n(C(C)C)c1C 32975883 GJVLJVZGXCWFAF-UHFFFAOYSA-N 286.375 3.947 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1ccccc1 8479698 AWYMPWPDZYIYSD-GOSISDBHSA-N 297.398 3.811 0 40 CHAB Cc1n[nH]c2c1C(=O)C[C@H](c1ccc(C(C)C)cc1)C2 10156792 ODUUXAIIVDHPRC-CQSZACIVSA-N 268.360 3.754 0 40 CHAB CCOc1cccc(NC(=O)COc2cc(C)ccc2C)c1 9816614 MUBIPIIRHKZWCN-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB CCOc1cc(C(=O)Nc2cccc(C)c2C)ccc1OC 10002646 NXMRAACFJMIOGK-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB Cc1ccccc1Nc1ccc(Br)cn1 42376597 HSFHQSLGKJLUTM-UHFFFAOYSA-N 263.138 3.896 0 40 CHAB CCCc1cc(C(=O)Nc2cccc3ccccc23)[nH]n1 12552928 JBBMCXWCWFEWED-UHFFFAOYSA-N 279.343 3.768 0 40 CHAB Cc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1 59408967 RTZCTZQHENIPDE-OAHLLOKOSA-N 254.358 3.692 0 40 CHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H]1Cc1ccccc1 107329375 CEVSGPCWLBCVDY-FJIDUMEYSA-N 283.415 3.656 0 40 CHAB Cc1ccoc1C(=O)Nc1ccc(F)cc1Br 20430163 QILRGOHUOFJCOS-UHFFFAOYSA-N 298.111 3.742 0 40 CHAB CCOC(=O)c1cccnc1/C=C/c1cccc(F)c1 58246990 QXYBVHXWYVMASN-CMDGGOBGSA-N 271.291 3.568 0 40 CHAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C)cc1C 28463438 MWQNTVZUWFMMGP-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccccc1 11202505 DOVPCDQFTRTECH-INIZCTEOSA-N 251.329 3.568 0 40 CHAB O=C(CCCc1cccs1)N1CCC[C@H]1c1ccc[nH]1 48368574 NAVDBSKCHLFZCH-HNNXBMFYSA-N 288.416 3.763 0 40 CHAB CCN(CC)c1ncc(CNCCCC(C)C)s1 38054734 OTAUSRANVFIXLK-UHFFFAOYSA-N 269.458 3.515 0 40 CHAB O=C(O)c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 3864420 KUCGAGONGXZTOE-UHFFFAOYSA-N 272.344 3.558 0 40 CHAB CCCCNC(=O)Nc1ccc(C)c2c1OC(C)(C)C2 4104962 SJRIOGGUSAYBSR-UHFFFAOYSA-N 276.380 3.630 0 40 CHAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 5368755 RVHBPXLFDIMWGH-LBPRGKRZSA-N 273.763 3.760 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc3ccccc3c2)C1 15434122 SOVOUOQQYLXVNS-OKILXGFUSA-N 267.372 3.958 0 40 CHAB Cc1ccc(F)cc1NS(=O)(=O)c1cccc(Cl)c1 7405624 CMYPHAMLDUHHAJ-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Cc1nnc(CCCOc2cccc(C(C)(C)C)c2)o1 97047882 AUXBYWSWWGLCOK-UHFFFAOYSA-N 274.364 3.687 0 40 CHAB Cc1cccc(N[C@H](C)c2ccc(N3CCOC3=O)cc2)n1 97037075 PVENBUAWALTSPM-CYBMUJFWSA-N 297.358 3.520 0 40 CHAB CC(=O)Nc1ccc(N[C@@H](C)CSC(C)(C)C)cc1 97045608 UNOMYSYCLCRIFE-NSHDSACASA-N 280.437 3.977 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc(C)c(F)c2)c(C)n1 72276924 DDZYMUIXOFBJPH-UHFFFAOYSA-N 272.323 3.707 0 40 CHAB CCC1(CNC(=O)C[C@@H](C)c2ccc(F)cc2)CC1 75105422 CEYOLECGUCAMIA-GFCCVEGCSA-N 263.356 3.626 0 40 CHAB COC(=O)Oc1cc(N)c(F)cc1C1(C)CCCCC1 66349187 XNJKSLBSOWJXKI-UHFFFAOYSA-N 281.327 3.775 0 40 CHAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 35260592 NVKAWKQGWWIWPM-RDHBQNTISA-N 290.447 3.959 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)CCc2c[nH]c3ccccc23)C1 32031343 WSZZAOSAGCQOJG-HIFRSBDPSA-N 284.403 3.795 0 40 CHAB CC[C@@H](O)c1ccc(N2CCCc3ccccc32)nc1 72225788 CTYDHNWZRWBZRM-MRXNPFEDSA-N 268.360 3.609 0 40 CHAB CC[C@H](O)c1ccc(Sc2ccccc2)nc1C 72224225 XEDCJOWDUCGRDQ-AWEZNQCLSA-N 259.374 3.985 0 40 CHAB Cc1cc(C(=O)OCc2coc(C(C)(C)C)n2)c(C)o1 521394121 GAZPFDMIXTVSDH-UHFFFAOYSA-N 277.320 3.539 0 40 CHAB CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(CC)OC)cc1C 225603735 IASDPIYMPUGCLB-GUYCJALGSA-N 293.407 3.926 0 40 CHAB COc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225608550 GXBOEHBJTCPPMD-QGZVFWFLSA-N 293.407 3.702 0 40 CHAB O=C(NCc1cncc(-c2cccs2)c1)[C@@H]1CC=CCC1 225664736 OKIJREYYAWAIGJ-CQSZACIVSA-N 298.411 3.783 0 40 CHAB CC(C)c1ccc(CCC(=O)N2CCCCC2)cc1 42646819 YHUWTVKTMYXXMS-UHFFFAOYSA-N 259.393 3.755 0 40 CHAB CCCCCC[C@@H](CN1CCCC1)N1CCCC1 43752071 BPPURDXHUMCGDJ-INIZCTEOSA-N 252.446 3.517 0 40 CHAB O=C(c1ccc(Br)cc1Cl)C1CC1 95942505 XNGMONNKRSRKCG-UHFFFAOYSA-N 259.530 3.695 0 40 CHAB in-vitro CCN1C(=O)S/C(=C/c2c(F)cccc2Cl)C1=O 96565170 KYMNPLPHUUCUTR-UXBLZVDNSA-N 285.727 3.535 0 40 CHAB O=C(CCSCc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 247804921 YNBNIRZUMMKNMA-JYJNAYRXSA-N 289.444 3.615 0 40 CHAB Cc1ccc2c(NC(=O)c3ccnn3C(C)C)cccc2n1 42381135 DEYZRTBXXKUABI-UHFFFAOYSA-N 294.358 3.573 0 40 CHAB C[C@]12CC[C@@H]3[C@H](C[C@H](O)[C@]45C[C@@H]4CC[C@]35C)[C@@H]1CCC2=O 257345940 NIDVKCKYZAQGOI-WCZYHURZSA-N 288.431 3.569 0 40 CHAB O=C(Cn1ccccc1=S)c1ccc(Cl)cc1 257173046 BNDVNBLMJZWEFP-UHFFFAOYSA-N 263.749 3.754 0 40 CHAB CCO/C(C)=C\c1sc2ccc(OC)cc2[n+]1CC 318014 YHYYGBVMLHYDTC-LUAWRHEFSA-N 278.397 3.615 0 40 CHAB CCOc1ccc(Nc2cc(C)nc(Cl)n2)cc1 13534099 WEQPCURLPLMTGP-UHFFFAOYSA-N 263.728 3.581 0 40 CHAB CCCCN(CCCC)CCOC(=O)c1cccc(F)c1 4411925 ZQMANNVEVIHIAB-UHFFFAOYSA-N 295.398 3.885 0 40 CHAB Cc1[nH]c2ccc(F)cc2c1CCNCc1ccco1 36657776 ODQJVHGHVVRQMH-UHFFFAOYSA-N 272.323 3.541 0 40 CHAB CCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 34003604 CQSMNXCTDMLMLM-ZDUSSCGKSA-N 282.339 3.584 0 40 CHAB in-vitro O=C(Nc1ccc(Cl)cc1)N1CCc2sccc2C1 10463960 LUHDSXVZAHFVOR-UHFFFAOYSA-N 292.791 3.992 0 40 CHAB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccc(Cl)cc1 100449843 COYXELRUTBMBIR-KLPPZKSPSA-N 280.751 3.804 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccccc1 20489150 GUIGGKWNQRCWJD-LBPRGKRZSA-N 289.762 3.770 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(C(C)(C)C)cc1 2580373 OSFBPASCHJVYJC-UHFFFAOYSA-N 276.376 3.900 0 40 CHAB CCOC(=O)CSc1nc2c(C)cccc2cc1CC 412709 RLUIAAWRXZDPRX-UHFFFAOYSA-N 289.400 3.761 0 40 CHAB CC[C@@H](C(=O)O)c1ccc(OCc2ccccc2)cc1 1613240 MNSDWKQEXPQMMM-MRXNPFEDSA-N 270.328 3.844 0 40 CHAB O[C@@H]1Cc2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 1695667 QTBPVJOHAFKPAU-HUUCEWRRSA-N 293.288 3.776 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1 102181165 IKUBFGZYUXDDRM-QBYUYEEZSA-N 271.404 3.858 0 40 CHAB c1nc(N2CCCCCCC2)c2c3c(sc2n1)CCC3 3284602 DOFLOJVEKYLXLY-UHFFFAOYSA-N 287.432 3.951 0 40 CHAB Cc1ccccc1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102324050 SDDHDXWQRZMEKY-YXWQFLTLSA-N 257.377 3.550 0 40 CHAB Cc1cc(C(=O)Nc2ccc(N3CCCCCC3)cc2)no1 24979076 LKWZJQITLBMDBB-UHFFFAOYSA-N 299.374 3.616 0 40 CHAB COc1ccc(C)cc1CSc1nc(C)c(C)o1 58733441 DRTSSRGUZMWNTH-UHFFFAOYSA-N 263.362 3.901 0 40 CHAB FC(F)(F)c1ccccc1-c1nc(-c2ccncc2)no1 1400949 PHNYBXHKSKPPFA-UHFFFAOYSA-N 291.232 3.817 0 40 CHAB Cc1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 26894575 MNMSKWSDXPDXJG-KGLIPLIRSA-N 296.399 3.794 0 40 CHAB c1ccc2c(c1)C[C@H](NCc1cc3ccccc3o1)CO2 20905822 OBGXRUUWSUMLKA-HNNXBMFYSA-N 279.339 3.526 0 40 CHAB Cc1cccnc1C(=O)c1cccc(C(F)(F)F)c1 45028659 CFHZKMBVAHGEER-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB CCc1cccc(C)c1NC(=O)N[C@H](C)c1ccccn1 48324423 BCYCMEHUAPULTO-CYBMUJFWSA-N 283.375 3.835 0 40 CHAB CC(C)(C)n1cc(-c2cnn(Cc3ccccc3)c2)cn1 49581404 TZYZDXSEGVOTKC-UHFFFAOYSA-N 280.375 3.550 0 40 CHAB Cc1nc(Cl)c2c3c(sc2n1)CCCCC3 4207447 FCVCCAFFZXPKGV-UHFFFAOYSA-N 252.770 3.922 0 40 CHAB Cc1cc([C@H](C)NC(=O)N(C)Cc2ccoc2C)c(C)o1 65495873 GNOSEFNHJWDUSK-NSHDSACASA-N 290.363 3.700 0 40 CHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccoc1 14189036 KVYPFZJGBAHTFC-UHFFFAOYSA-N 287.649 3.787 0 40 CHAB CCCOc1ccccc1NC(=O)c1cccc(OC)c1 5512553 IEZGSLFZCVIBFB-UHFFFAOYSA-N 285.343 3.736 0 40 CHAB O=C(CCc1ccco1)Nc1ccc(N2CCCCC2)cc1 6822223 XXOPPPYXVBMUGX-UHFFFAOYSA-N 298.386 3.841 0 40 CHAB O=C(Cc1ccccc1F)Nc1ccccc1OC(F)F 7407158 RCRUFCNNKAOBPN-UHFFFAOYSA-N 295.260 3.608 0 40 CHAB CC(C)Cc1nnc([C@H](C)SC[C@@H]2CCCCO2)o1 95965633 GKSBLJLIFXCJPX-RYUDHWBXSA-N 284.425 3.631 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc(C)nc2)c(Cl)c1 32895895 SBEDLXRFBBQCDN-UHFFFAOYSA-N 274.751 3.913 0 40 CHAB COc1ccc(C(=O)Nc2cccc3ccccc23)c(O)c1 314017433 IBDAVIJKHNASLM-UHFFFAOYSA-N 293.322 3.806 0 40 CHAB Cc1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1 32827529 JLKAXVUBQCQFPX-UHFFFAOYSA-N 293.370 3.833 0 40 CHAB Fc1cc(Br)ccc1OC(F)(F)Cl 34627573 DXCOMAACEFOCHA-UHFFFAOYSA-N 275.451 3.756 0 40 CHAB CCCCn1nc(Br)c2ccccc21 72220006 OLTSDOWDQBHJDO-UHFFFAOYSA-N 253.143 3.599 0 40 CHAB Cc1cnccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72219509 QRORWESXLBGTBY-KRWDZBQOSA-N 296.370 3.864 0 40 CHAB Cc1ccc(CSc2nc(Cc3ccccc3)n[nH]2)cc1 71233761 GSYLOOKHUDKELF-UHFFFAOYSA-N 295.411 3.996 0 40 CHAB CC(C)CSc1nnc(NC(=O)C2CCCCC2)s1 223165428 BXFXQAGZRSRFOA-UHFFFAOYSA-N 299.465 3.805 0 40 CHAB CCCOc1ccccc1CCCNC(=O)C(C)(C)C 224041695 MDBZLHVYFYDWDH-UHFFFAOYSA-N 277.408 3.570 0 40 CHAB Cc1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1 225320019 QBWSOONDISHYIE-UMVBOHGHSA-N 274.433 3.778 0 40 CHAB Cc1ccc(C)c(C(=O)Nc2nnc(-c3ccsc3)o2)c1 49029159 MQLUYBOCYGNFMQ-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB O=C(c1ccco1)N1CCS/C1=C/c1cccs1 225234271 ZFBIYVJEKRTOIY-FMIVXFBMSA-N 277.370 3.529 0 40 CHAB CC[C@H](C)Oc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 225170657 BHVLXDWIQYEEEP-ZQIUZPCESA-N 277.408 3.694 0 40 CHAB CC(C)c1ccc([C@H]2CC(O)=Nc3c2cnn3C)cc1 49544303 ZEDBQRJLVQEKAF-CYBMUJFWSA-N 269.348 3.667 0 40 CHAB Cc1ccc(OCC(=O)Oc2cccc3cccnc23)cc1 42484540 GZWDYEYIFIWMKY-UHFFFAOYSA-N 293.322 3.528 0 40 CHAB Cc1ccc2oc(-c3ccc(-n4cnnc4)c(C)c3)nc2c1 45920495 HMBGBKSZCGCDSE-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB O=C(c1ccsc1)N(CC(F)F)c1ccc(F)cc1 193860140 JINYAMCTOZYMPL-UHFFFAOYSA-N 285.290 3.799 0 40 CHAB CCOC(=O)c1csc(-c2cccc(CC)c2)n1 90470933 PHUQSPAMXQBGDT-UHFFFAOYSA-N 261.346 3.549 0 40 CHAB Cc1ncc(NC(=O)N2C[C@@H](C(C)C)c3ccccc32)cn1 333243001 QLVLNGMDFVEYEO-HNNXBMFYSA-N 296.374 3.577 0 40 CHAB Fc1ccc(CNCc2ccccc2Cl)s1 256049710 BBKSQVZZKJHIEV-UHFFFAOYSA-N 255.745 3.830 0 40 CHAB CC(C)(O)Cc1ccc(SC(F)(F)F)cc1 95740133 AZIJHLAIPOYWJE-UHFFFAOYSA-N 250.285 3.612 0 40 CHAB C1CCc2onc(-c3noc4c3CCCCC4)c2CC1 408485 VMNLKZOKUNIVEN-UHFFFAOYSA-N 272.348 3.867 0 40 CHAB Cn1cc(Br)c(-c2ccc(Cl)s2)n1 84676606 AWINOVFMBRBJKK-UHFFFAOYSA-N 277.574 3.565 0 40 CHAB CC(C)Sc1ccccc1NCc1cnn(C)c1 89891056 KICLQGBGPBBBAY-UHFFFAOYSA-N 261.394 3.533 0 40 CHAB O[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F 220949294 XCGVALKARGFJFN-SSDOTTSWSA-N 278.579 3.955 0 40 CHAB O=C(c1ccccc1)N1CCC(c2ccccc2)CC1 5682230 XDAKJRPTRVMULF-UHFFFAOYSA-N 265.356 3.706 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cccc(N)c1C 19390667 USZHKOXEGYPOQA-UHFFFAOYSA-N 268.360 3.700 0 40 CHAB CO[C@H](CNC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)s1 225703830 LDSHXPSYFIGDML-GHMZBOCLSA-N 299.823 3.562 0 40 CHAB COCOc1cc(Br)c2ccccc2c1 1857788571 SYTVTPAROOODCH-UHFFFAOYSA-N 267.122 3.585 0 40 CHAB c1ccc(C2CC3(C2)CN(c2nnc(C4CC4)s2)C3)cc1 1776000818 LJZAIUCZMIVLQX-UHFFFAOYSA-N 297.427 3.800 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(C(F)(F)F)cc1 40072014 ASWPBWXYCOKRLD-VDDIYKPWSA-N 271.282 3.539 0 40 CHAB O=c1cc(-c2ccccc2)c2ccc(Cl)cc2[nH]1 47438 JVRHTLFURHOHTE-UHFFFAOYSA-N 255.704 3.849 0 40 CHAB CCCc1ccc(OCC(=O)Nc2ccccc2F)cc1 128406 FHTJXUGIJGNGGS-UHFFFAOYSA-N 287.334 3.796 0 40 CHAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 364757 GRMPLAIFHOJQGY-AWEZNQCLSA-N 299.370 3.800 0 40 CHAB COCc1ccccc1NC(=O)NCc1sccc1C 46031665 IJTNCXPYCXQHGH-UHFFFAOYSA-N 290.388 3.525 0 40 CHAB CCC(=O)N(CC)c1nc(-c2ccc(F)cc2)cs1 932823 WZEBUJRPAALYGZ-UHFFFAOYSA-N 278.352 3.712 0 40 CHAB O=C(O)c1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1 1556150 DPNVYJIIQODUPK-UHFFFAOYSA-N 295.121 3.923 0 40 CHAB c1ccc(CC[C@H]2OC[C@@H](c3ccccc3)O2)cc1 1689223 OUIPNMRDUUKZJF-IRXDYDNUSA-N 254.329 3.733 0 40 CHAB CCN1C(=O)N(c2cccc(C)c2)C(C)=CC1(C)C 493030 LNWFTLKFDTYXKU-UHFFFAOYSA-N 258.365 3.939 0 40 CHAB Cc1cc2nc(NC(=O)c3cccc(F)c3)[nH]c2cc1C 6922314 ZJBSEIHUSSSAKZ-UHFFFAOYSA-N 283.306 3.571 0 40 CHAB CC(C)(C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 7268692 CFMQQWAWYYMVAQ-MRXNPFEDSA-N 295.382 3.604 0 40 CHAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC1 58833382 JDSHQMDMMPMQFD-QMMMGPOBSA-N 290.215 3.706 0 40 CHAB O=C(N[C@@H](c1ccccc1)c1ccco1)[C@H]1C[C@H]2C=C[C@H]1C2 104200138 KUNKXRPNZWMCTE-MBGYTDRXSA-N 293.366 3.697 0 40 CHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 113960510 SJNLBVYBDKCHDS-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB Cc1noc(C(C)C)c1C(=O)NCCC1=CCCCC1 23791566 UBAUGRPZXYHPFA-UHFFFAOYSA-N 276.380 3.727 0 40 CHAB CCN(CC)C(=O)O[C@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 104385793 IAXGAHCTCBLTDE-TYNCELHUSA-N 253.386 3.680 0 40 CHAB O=C(CSCc1ccccc1Cl)N1CCCCCC1 20237982 MFBOZXGSRZQNNT-UHFFFAOYSA-N 297.851 3.976 0 40 CHAB Cc1nccc(-c2cccc(-c3ccn(CC4CC4)n3)c2)n1 20541557 SNNVXTVYWZEXQI-UHFFFAOYSA-N 290.370 3.726 0 40 CHAB N[C@@H](c1ccccc1)c1ccccc1OC(F)(F)F 55206054 JPQLKGFRFAHSKP-ZDUSSCGKSA-N 267.250 3.633 0 40 CHAB O=C(c1cccc2ccccc12)N1CCOc2ccccc21 35671543 LTBFUGMZCRMCDM-UHFFFAOYSA-N 289.334 3.879 0 40 CHAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(Cl)cc1 27339457 NBKVRTQZRICMAS-UHFFFAOYSA-N 292.766 3.690 0 40 CHAB c1cnc2c(Cn3cnc4ccccc43)cccc2c1 10517124 BMTWHLXPOIQKHX-UHFFFAOYSA-N 259.312 3.633 0 40 CHAB Cc1cccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11128532 LYMQEIUCIZDUGY-KRWDZBQOSA-N 298.361 3.566 0 40 CHAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccnc2)N3)C1 4125404 JSPZKXLFHZSMIN-YMTOWFKASA-N 299.399 3.697 0 40 CHAB CCOc1ccc(N(C)C(=O)C[C@@H](C)n2cccc2)cc1 89991119 CDFTVRNCYILOOC-CQSZACIVSA-N 286.375 3.501 0 40 CHAB Cc1csc(NC(=O)C/C=C/c2ccc(F)cc2)n1 76094785 MNIDRSCMPZSGIM-NSCUHMNNSA-N 276.336 3.633 0 40 CHAB c1ccc2nc(N[C@H]3CC[C@@H]4CCC[C@@H]43)cnc2c1 77487420 VYMYABSHGVTSEN-AVGNSLFASA-N 253.349 3.620 0 40 CHAB CC(C)OCCSCc1nnc(-c2cccc(F)c2)o1 89887903 YRRPRHUUAJNXOZ-UHFFFAOYSA-N 296.367 3.534 0 40 CHAB Cc1cccc(NC(=O)C[C@@H]2OCCc3ccsc32)c1 75458944 WERACPQQNHSCSZ-AWEZNQCLSA-N 287.384 3.699 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 20493407 WNNLXYAUHBKABL-HZPDHXFCSA-N 297.398 3.948 0 40 CHAB CNC[C@@H]1C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 70453166 HSFKHCXRMWCJII-DTWKUNHWSA-N 263.690 3.682 0 40 CHAB CC[C@@H](NC(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2 32983835 YUDKZQSXRMIUBX-MUGCCGGLSA-N 298.430 3.806 0 40 CHAB COc1ccc(Cl)c2c(Br)cc(C)nc12 36075649 VYWCYDILXWFWNF-UHFFFAOYSA-N 286.556 3.968 0 40 CHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCNC2)n1 72354409 INZUIESASHMERN-MRXNPFEDSA-N 284.378 3.587 0 40 CHAB CNc1ncc([C@H]2CCCCN2CC(C)C)cc1C 72219003 LTDQLRXZNFJGMA-OAHLLOKOSA-N 261.413 3.615 0 40 CHAB CC(C)(C)OCCOc1ccc(OCC2CC2)cc1 215880536 DGBYKAARVBRDGT-UHFFFAOYSA-N 264.365 3.669 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccc(F)c(F)c1F 61838000 ULKJNCZMHAZTON-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB COCc1ccccc1NC(=O)Nc1cc(F)cc(F)c1 79101302 ZQTYBHPRNHFHMN-UHFFFAOYSA-N 292.285 3.755 0 40 CHAB Clc1ccccc1Cc1cccc([C@@H]2CCCNC2)n1 72343731 LRBXEBVGTQGRPW-CQSZACIVSA-N 286.806 3.793 0 40 CHAB COc1ccc(NC(=S)Nc2ccccc2)c(OC)c1 13634504 SXBQYNMIGKPEMS-UHFFFAOYSA-N 288.372 3.513 0 40 CHAB CCOc1ccc(C(=O)NCc2ccccc2C)cc1C 223200434 AUDQFHSAHASAMA-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB Cc1cc(N2CCCC2)n2nc(-c3ccccc3)c(C)c2n1 40216626 AAWIDBRCIUJFHT-UHFFFAOYSA-N 292.386 3.613 0 40 CHAB Cc1ccc(Nc2ccc(N)cc2C(=O)NC2CC2)cc1C 225465544 HXRAWIYJRVOWBP-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB CCCC[C@H](CC)CNC(=O)[C@H](c1ccccc1)N(C)C 225118526 WJKQPYGPWQFUOP-RDJZCZTQSA-N 290.451 3.622 0 40 CHAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(CC)OC)cc1 225600894 HBYXQHXXCFRIKZ-MLGOLLRUSA-N 279.380 3.618 0 40 CHAB CC[C@H](NC(=S)Nc1ccncc1)c1ccccc1 225482603 DHTLCYLNCBKKEB-AWEZNQCLSA-N 271.389 3.519 0 40 CHAB Cn1cc(CSc2ncc(-c3ccc(F)cc3)o2)cn1 192863444 ONFLVFJAWSZWBQ-UHFFFAOYSA-N 289.335 3.507 0 40 CHAB CC(C)CCOc1ccccc1C(=O)C(F)(F)F 95730635 NJMHKBSRRGQDGV-UHFFFAOYSA-N 260.255 3.857 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCc2sc(Cl)cc2C1 335443076 XSVJDHULBOLWRB-JTQLQIEISA-N 281.808 3.643 0 40 CHAB C[C@H]1CSc2ccccc2[C@H]1NCc1ccco1 95427055 DEMVWLOJCWZKQT-NHYWBVRUSA-N 259.374 3.852 0 40 CHAB CO[C@@H](C)c1nc(Cl)cc(-c2ccccc2C)n1 96529143 AGDUOXXNPWCESH-JTQLQIEISA-N 262.740 3.813 0 40 CHAB COC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 255190825 ZTSNOLYOBSOCKH-UHFFFAOYSA-N 295.294 3.638 0 40 CHAB COC(=O)CCC(=O)c1cccc(-c2ccccc2)c1C 575358546 QLXGLJPPNKPHLV-UHFFFAOYSA-N 282.339 3.798 0 40 CHAB CC(C)c1nnc(CNC(C)(C)c2ccc(Cl)cc2)o1 69869492 CYCRNLIOAMEUMX-UHFFFAOYSA-N 293.798 3.871 0 40 CHAB CC(C)OC(=O)Nc1ccc(F)c(C(F)(F)F)c1 1682765 WKIHLKZZSUQTEM-UHFFFAOYSA-N 265.206 3.801 0 40 CHAB C[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCO3)CC1 89929858 YGFMNDDVMCISSZ-LLVKDONJSA-N 281.783 3.691 0 40 CHAB O=C(c1ccco1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12180964 VICGGEFIUBNHBN-VHRNVKJDSA-N 299.345 3.970 0 40 CHAB Fc1ccc2c(Cl)nccc2c1Br 82766618 ZWNHILQAYRZKGO-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cccs1 9657185 VWFRZBWHAGTRMQ-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB O=C1Nc2ccccc2/C1=C/c1c(F)cccc1Cl 574990 GCNGBHCUHYKALC-NTMALXAHSA-N 273.694 3.972 0 40 CHAB COc1cc2nccc(Nc3ccc(O)cc3)c2cc1OC 145823141 AQNXHBFSMBNESC-UHFFFAOYSA-N 296.326 3.701 0 40 CHAB CC[C@H]1c2ccsc2CCN1Cc1ncc(Cl)n1C 40012121 YEDLMPJRVSFSOQ-NSHDSACASA-N 295.839 3.644 0 40 CHAB Cc1nc(CSc2nnc(-c3cccs3)o2)cs1 40161751 HTCHTTQDYKVRHJ-UHFFFAOYSA-N 295.414 3.855 0 40 CHAB Clc1cccc(OCC[C@@H]2CCCCN2)c1Cl 20221549 WRRWENKACABDCY-JTQLQIEISA-N 274.191 3.904 0 40 CHAB CSc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 40526837 ADGJOADBBBKDKH-NSHDSACASA-N 264.394 3.672 0 40 CHAB OC1=Nc2n[nH]cc2[C@@H](c2cccc3ccccc23)SC1 20722354 RVAVNGMBYNWAHK-OAHLLOKOSA-N 295.367 3.987 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCCC[C@H]1C 36834115 JAXUUNLWWUVEFZ-DOMZBBRYSA-N 298.386 3.959 0 40 CHAB COc1ccccc1CCC(=O)c1ccccc1F 2516471 ARGNQSDXKPZXDC-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB O=C(NCCc1cccs1)c1cc(Cl)ccc1F 17909846 PQGSIPLKUAVKMP-UHFFFAOYSA-N 283.755 3.513 0 40 CHAB Cc1ccc([C@H](Nc2cccc(C)c2)C(=O)O)cc1 4244970 UHKZOIYASLZHGV-HNNXBMFYSA-N 255.317 3.541 0 40 CHAB CC(C)(C)NC(=O)Cc1ccc(-c2ccccc2)cc1 6214806 PJNQFDGGJDZLPD-UHFFFAOYSA-N 267.372 3.811 0 40 CHAB COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@@H]1C=CCC1 8130125 CMUMYUXKSLACCH-ZIAGYGMSSA-N 273.376 3.537 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)CNc1ccccc1)C2 105300495 VWXHTADNWYJLIR-YEWWUXTCSA-N 287.403 3.857 0 40 CHAB CCc1nc2sc(C(C)=O)c(N)c2c2c1CCCC2 501279 XCVLNDZQGFMOFX-UHFFFAOYSA-N 274.389 3.522 0 40 CHAB CC[C@@H](C)NC(=O)c1sc(-c2ccc(F)cc2)nc1C 57807829 TZXVFLJWVMPVCL-SECBINFHSA-N 292.379 3.786 0 40 CHAB CC[C@H](C)NC(=O)c1ccccc1-c1nc2ccccc2[nH]1 3901904 RGWARTPRUCFZCR-LBPRGKRZSA-N 293.370 3.758 0 40 CHAB CC(C)CC(=O)Nc1ccc(N2CCCCC2)c(F)c1 21577081 BGLMJRLWZNSAPN-UHFFFAOYSA-N 278.371 3.801 0 40 CHAB CC[C@@H](NC(=O)NCC1CC1)c1ccc(Cl)cc1 25089243 PWGAWRVAQXNIEQ-CYBMUJFWSA-N 266.772 3.500 0 40 CHAB CC(C)c1nc(-c2cc(C(=O)O)c3ccccn23)cs1 101956726 JWLIPFXIPFKUFF-UHFFFAOYSA-N 286.356 3.884 0 40 CHAB C[C@@H](NC(=O)Nc1cccc2cccnc12)c1cccnc1 43529504 KNDSVPQFMINCTB-GFCCVEGCSA-N 292.342 3.513 0 40 CHAB CC[C@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1 12913253 XFFBXIMQYMSEEB-GFCCVEGCSA-N 286.400 3.668 0 40 CHAB CCN(CC)CCCNc1c2c(nc3ccccc13)CCC2 4040288 VDVPBZNQTQOKSK-UHFFFAOYSA-N 297.446 3.867 0 40 CHAB COc1ccc2[nH]c(C(=O)O)c(-c3ccccc3)c2c1 4042235 XXBOTXOFJPOAAR-UHFFFAOYSA-N 267.284 3.542 0 40 CHAB biogenic CSc1cc(N)nc(-c2ccc(Cl)cc2)c1 96319426 GJZIDJQFMKUMPP-UHFFFAOYSA-N 250.754 3.706 0 40 CHAB CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2CS1 5297091 HRWPYSJGEWXLPT-SNVBAGLBSA-N 294.445 3.569 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)c1ccccc1F 5425933 HJIKROTZNFRHDR-AWEZNQCLSA-N 287.359 3.793 0 40 CHAB c1ccc2oc(NCCCOC3CCCCC3)nc2c1 71794778 PCLQRVILGNYSCA-UHFFFAOYSA-N 274.364 3.979 0 40 CHAB Cn1cc(/C=C/c2ccc3ccc(Cl)cc3n2)cn1 15518807 BIZFOEXFZLSXKK-QHHAFSJGSA-N 269.735 3.792 0 40 CHAB Nc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 19675262 MTRNYTAAHMIBRY-UHFFFAOYSA-N 294.326 3.836 0 40 CHAB COc1cc(C(=O)Nc2ccc(C)cc2)ccc1C 7944150 VKQYKLFAXNMULC-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB Cc1n[nH]cc1CN[C@@H](c1ccccc1)C1CCCC1 71837236 RCXSZBZXPJCSBY-KRWDZBQOSA-N 269.392 3.739 0 40 CHAB FC(F)(F)c1ccc2sc(Nc3cn[nH]c3)nc2c1 76062676 NSSKEMMHPYTNSH-UHFFFAOYSA-N 284.266 3.782 0 40 CHAB COc1ncc(Cl)c(N[C@@H](C)c2ccccc2C)n1 79109321 ZKLWNZRDGXENNH-JTQLQIEISA-N 277.755 3.620 0 40 CHAB CCC1(C(=O)N2CCC(c3ccccc3)CC2)CCC1 75106956 QCLVBQWGJSYPHP-UHFFFAOYSA-N 271.404 3.973 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCC[C@@H](C)C1 22519205 IIWYGEHIVMQZDT-CZUORRHYSA-N 289.419 3.719 0 40 CHAB CCc1noc(-c2ccccc2NC(=O)c2cccs2)n1 33012692 NRAOWORGUYEOGV-UHFFFAOYSA-N 299.355 3.613 0 40 CHAB COc1cccc(-c2cc(-c3ccccc3C)nc(N)n2)c1 71977888 DNBRSTALAVENGX-UHFFFAOYSA-N 291.354 3.710 0 40 CHAB Cc1ccncc1[C@H]1CCCCN1C(=O)c1ccccc1 72211432 NRUJISNDRRCCLG-QGZVFWFLSA-N 280.371 3.757 0 40 CHAB c1ccc(Cn2c(-c3ccncc3)nc3cccnc32)cc1 76039774 ZSDWSCOWNAGZON-UHFFFAOYSA-N 286.338 3.542 0 40 CHAB COc1ccccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72221466 OXQJLMYJWRQFDA-CYBMUJFWSA-N 277.364 3.767 0 40 CHAB CCOc1ccc(CNC(=O)Cc2ccc(C)cc2C)cc1 224436403 ORJQHKGJBXQWAD-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB Cc1cccc(NC(=S)NC(C(C)C)C(C)C)c1 225325516 VSFNMCSAVRRXNF-UHFFFAOYSA-N 264.438 3.962 0 40 CHAB Cc1ccc(C(=O)NCCCc2ccc(F)cc2)c(C)c1 225679867 LOYBUIPYGZVEKK-UHFFFAOYSA-N 285.362 3.805 0 40 CHAB C[C@@H]1CCN(C(=O)CCc2ccco2)[C@H](c2ccco2)C1 96441262 ZGQZSBFWERQWPH-HIFRSBDPSA-N 287.359 3.805 0 40 CHAB C[C@H](C(=O)Nc1cccc(O)c1)c1ccc(Cl)s1 98020645 WNJGUFZKQMAHJT-QMMMGPOBSA-N 281.764 3.849 0 40 CHAB Cc1nccc([C@@H]2CCCCN2Cc2cccs2)n1 257229965 GAECQUOEVIAMTA-HNNXBMFYSA-N 273.405 3.574 0 40 CHAB C[C@@H]1CCC[C@@H](CCN[C@@H](c2ccncc2)c2ncc[nH]2)C1 252540203 OZLFOINJYVINDS-VYDXJSESSA-N 298.434 3.700 0 40 CHAB CC[C@H](c1ccccc1)c1n[nH]c(-c2cccc(N)c2)n1 642882603 RDBXQEVQEGMVDX-OAHLLOKOSA-N 278.359 3.596 0 40 CHAB O=C([C@@H]1C[C@@H]1c1ccco1)N(Cc1cccc(F)c1)C1CC1 84372461 FQBQDFHTHKXSOO-JKSUJKDBSA-N 299.345 3.713 0 40 CHAB C[C@@H]1CCCCN1C(=O)Nc1ccc2sncc2c1 194283793 ATBYYIHAJHALCY-SNVBAGLBSA-N 275.377 3.703 0 40 CHAB O=C(O)c1cccnc1Nc1cccc2ccccc12 1329543 ZLZQMWONWHKUMD-UHFFFAOYSA-N 264.284 3.677 0 40 CHAB O[C@H](c1cc(C(F)(F)F)ccc1Cl)C(F)(F)F 405992319 VNQQCHNZJWLBIS-SSDOTTSWSA-N 278.579 3.955 0 40 CHAB Cc1ccc(C)c2c1C[C@H](Cc1ccccc1C(=O)O)C2=O 5539889 WXWMYJQXTKDZLM-AWEZNQCLSA-N 294.350 3.599 0 40 CHAB Cc1cc(Br)ccc1C(=O)C(C)(C)C 168167560 WDOCSFGHSZCRBK-UHFFFAOYSA-N 255.155 3.986 0 40 CHAB Cc1cc(C)c(NC(=O)c2cc(C3CC3)ncn2)c(C)c1 1775975165 AVQPEWZABBTHCN-UHFFFAOYSA-N 281.359 3.532 0 40 CHAB CC1=CC[C@H](c2nnco2)[C@@H](c2ccc(F)cc2)C1 209420 WSBISMJIGTYEBD-UONOGXRCSA-N 258.296 3.816 0 40 CHAB O=C(CCc1ccc(Br)cc1)C1CCC1 2517210 ZBTBCQVOZNAYRD-UHFFFAOYSA-N 267.166 3.751 0 40 CHAB O=Cc1cc(-c2ccccc2)oc1N1CCCCC1 248888 DXBQYZZPJVABNR-UHFFFAOYSA-N 255.317 3.749 0 40 CHAB Cc1ccc(CNC(=O)CSCc2ccc(C)cc2)cc1 262725 IROJKTZLQCIIID-UHFFFAOYSA-N 299.439 3.853 0 40 CHAB COc1ccc(F)cc1[C@H](C)NCc1ccsc1 37089785 WVXMFHCSHXIRQN-JTQLQIEISA-N 265.353 3.747 0 40 CHAB O=C(c1ccncc1)N1CCC[C@@H]1c1ccc(Cl)cc1 32796205 GMCIEXVEFIFQBZ-OAHLLOKOSA-N 286.762 3.712 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 3608004 BDSQTCMJRURTIU-AWEZNQCLSA-N 269.344 3.709 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=S)NCc1ccccc1 6175393 DOOVCRCAHGBRQS-HNNXBMFYSA-N 298.455 3.672 0 40 CHAB Cc1cccc(C(=S)NCCc2ccccc2)c1 6664716 PBLIHMHOMHXCCJ-UHFFFAOYSA-N 255.386 3.503 0 40 CHAB CC(C)c1ccc(NC(=S)NCc2cccnc2)cc1 7526149 FCRXMEBEPXTBAX-UHFFFAOYSA-N 285.416 3.692 0 40 CHAB Nc1ccc2c(c1)ncn2CCc1ccc(Cl)cc1 52854504 VEEUZMFPRKMESM-UHFFFAOYSA-N 271.751 3.515 0 40 CHAB in-vitro COc1cccc(C(=O)N[C@H](C)c2cc(C)ccc2C)c1 10542754 HRMSMTGJKJPVOQ-CQSZACIVSA-N 283.371 3.803 0 40 CHAB Cc1cc(C)n([C@@H]2CCCC[C@@H]2OC(=O)c2ccccc2)n1 552186 HERYUPICABEHNB-SJORKVTESA-N 298.386 3.841 0 40 CHAB CC1=C[C@H](C)[C@@H]2CO[C@H](c3ccc(O)cc3)[C@@H]1[C@@H]2C 102601006 UVEZFZYRAYSXIF-NZQXGWJPSA-N 258.361 3.928 0 40 CHAB C[C@H](NC(=O)c1cc2ccccc2o1)[C@@H]1C[C@H]2CC[C@H]1C2 104657545 VYUGXMKFMWEWJD-ABHRYQDASA-N 283.371 3.987 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9503236 FKASBOJEBLZWFT-YVLXSGLVSA-N 289.375 3.749 0 40 CHAB CC1=C(CC[C@@]2(C)OC(=O)N(C)[C@@]2(C)O)C(C)(C)CCC1 1025472 DZOGJWVBHKHVCK-SJORKVTESA-N 295.423 3.842 0 40 CHAB CCCCOc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 20244032 WUEQDDSSBIHRJN-QGZVFWFLSA-N 296.370 3.720 0 40 CHAB C[C@@H](N[C@H](C)C1CC1)c1cccc(Br)c1 35733361 TZTXPIVIGYUQSH-NXEZZACHSA-N 268.198 3.898 0 40 CHAB CCCNC(=O)c1cc(-c2ccco2)nc2ccccc12 2081639 MCJJQKYZDCVGKL-UHFFFAOYSA-N 280.327 3.635 0 40 CHAB C[C@H](N)C1=CCC=C1P(c1ccccc1)c1ccccc1 100032110 NVGLJKQWRJMPSO-HNNXBMFYSA-N 293.350 3.681 0 40 CHAB CCc1ccc(NC(=O)NC2CCC(C)CC2)cc1 44845360 SKXMIAFDWNGDBE-UHFFFAOYSA-N 260.381 3.949 0 40 CHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1cccnc1 10262212 OCCLXCXTCCQFBZ-JTQLQIEISA-N 275.739 3.618 0 40 CHAB CCN(CC)CCN[C@H](Cc1ccccc1)c1ccccc1 22863729 JEORTHKQPXKVMO-HXUWFJFHSA-N 296.458 3.902 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc[nH]c1=S 12808586 XHNBZSFNKFDACU-UHFFFAOYSA-N 282.727 3.789 0 40 CHAB Cc1ccc(C(=O)Nc2ncccc2C)cc1-n1cccc1 8710803 SIBAMEVCEOVKMS-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB C[P@](=O)(O)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 4119569 XRQKKNWQJRBVFE-QMMMGPOBSA-N 272.590 3.844 0 40 CHAB COc1ccc(C)cc1COc1ccc(-c2nnco2)cc1 5318935 JUFNEMTXYCJIFD-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB CC(C)c1oc([C@@H]2CCCN2)nc1-c1ccccc1 68576844 ZJIIRBDGXAVPMC-ZDUSSCGKSA-N 256.349 3.890 0 40 CHAB in-vitro COc1ccc2cc(C(=O)Nc3ncc(C)s3)ccc2c1 7989165 GOYWBQYOSWTKRK-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB O=C1Cc2cc(-c3csc(NC4CCCC4)n3)ccc2N1 8208440 XWEVWZPZOUCRFR-UHFFFAOYSA-N 299.399 3.659 0 40 CHAB NC(=O)c1ccc(-c2nc3ccccc3s2)cc1Cl 20154438 ITLKNRFSWRFHJN-UHFFFAOYSA-N 288.759 3.716 0 40 CHAB O=C(CCCc1ccccc1)n1cnc2ccccc21 28250694 PEFHLKPMTHXWKX-UHFFFAOYSA-N 264.328 3.699 0 40 CHAB O=C(/C=C/c1nc2ccccc2s1)OC1(C2CC2)CC1 72310750 GSKRUIXMCHXASJ-BQYQJAHWSA-N 285.368 3.795 0 40 CHAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccccc2)cc1C 22538050 ZNMXQYQPNNPXGV-INIZCTEOSA-N 297.398 3.868 0 40 CHAB CCCNC(=O)/C=C/c1cc2cc(Cl)ccc2o1 67339237 BGZLWCDOFBSVGY-GQCTYLIASA-N 263.724 3.626 0 40 CHAB CCOc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1 37358286 ICVUWOIKNBDBDJ-UHFFFAOYSA-N 290.746 3.978 0 40 CHAB C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CCC2=O 4156649 BHTWZQKERRCPRZ-BQFCYCMXSA-N 270.372 3.762 0 40 CHAB biogenic COc1cccc2c(SCc3ccccn3)nccc12 36708193 SUJYMTRRHMUIPM-UHFFFAOYSA-N 282.368 3.931 0 40 CHAB c1ccc2c(SCc3ccncc3)nccc2c1 36242317 MFCOPOAGUGBWSD-UHFFFAOYSA-N 252.342 3.922 0 40 CHAB CC(C)CN1CCCC[C@@H]1c1cccnc1N1CCCC1 72216004 SGBPCIWUUUYJDB-QGZVFWFLSA-N 287.451 3.865 0 40 CHAB CNc1nc(Nc2ccccc2C)nc2ccccc12 41146510 KVTJUGGCPKMASF-UHFFFAOYSA-N 264.332 3.724 0 40 CHAB CC(C)OC(=O)c1cc(N)ccc1NC1CCCCC1 225456155 BIQFEJOCFUEPJX-UHFFFAOYSA-N 276.380 3.579 0 40 CHAB C[C@@H]1CC(C)(C)N(C(C)(C)C(=O)O)c2ccccc21 223204439 IQNYUOFJCSKSHX-LLVKDONJSA-N 261.365 3.642 0 40 CHAB CC[C@H](NC)c1ccc(OCc2ccccc2)c(OC)c1 222636565 BGTBQYSDOSTYME-INIZCTEOSA-N 285.387 3.945 0 40 CHAB Cc1ccc(C[C@H](Oc2ccccc2C)C(=O)O)cc1C 225033140 XFSLASCANXBQSY-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CCc1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1 224352440 ISIRWFMODFSRKJ-CQSZACIVSA-N 267.372 3.669 0 40 CHAB CC(C)CCOc1cc(F)cc(C(=O)C(F)(F)F)c1 95732803 DYVPNYVOXJKEMP-UHFFFAOYSA-N 278.245 3.996 0 40 CHAB CCc1ccc(C(=O)C(F)(F)C(F)(F)F)cc1 95916925 SVECGUPULCFEEN-UHFFFAOYSA-N 252.182 3.629 0 40 CHAB CCC[C@]1(CC(=O)Nc2nccs2)CCOC(C)(C)C1 95475217 CCYOAUYQPXKVLL-OAHLLOKOSA-N 296.436 3.847 0 40 CHAB CC(C)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257262230 LKRCAOHABPXQBC-INIZCTEOSA-N 288.366 3.950 0 40 CHAB O=C(NCc1ccc(-c2ccsc2)o1)c1ccco1 575609399 BLXJGNZJUBOQEU-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB Cc1cccc(CN(CCc2ccncc2)C2CC2)c1 69322250 VDFSOOCDNLAIBA-UHFFFAOYSA-N 266.388 3.597 0 40 CHAB CSc1ccc([C@@H]2CC(=O)Nc3ccsc32)cc1 12371899 KXXRJRWFYSLEIQ-NSHDSACASA-N 275.398 3.944 0 40 CHAB Cc1cccc(CCCNC(=S)Nc2ccccc2)c1 13668843 SOAMYZCKIOZEAX-UHFFFAOYSA-N 284.428 3.914 0 40 CHAB CCC[C@H](C)NC(=O)CCSCc1ccccc1 13688101 DTMZXXOENUIXJY-ZDUSSCGKSA-N 265.422 3.615 0 40 CHAB C[C@@H](NCCN[C@H](C)c1ccccc1)c1ccccc1 19366298 LVJYSFUNASCGCN-HZPDHXFCSA-N 268.404 3.688 0 40 CHAB FC(F)(F)Oc1cc(Cl)c2[nH]c(Cl)nc2c1 396114179 ZVMAQPUROGPPKC-UHFFFAOYSA-N 271.025 3.768 0 40 CHAB CCCC(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1C 226352204 USTIKIZYSXSSDV-UHFFFAOYSA-N 287.315 3.692 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1ncnc2ccccc12 1775995618 BMJRWNHXMKLHGC-OKILXGFUSA-N 265.360 3.707 0 40 CHAB CC(C)COc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 20092448 HZESBAYBKQOVNF-WMLDXEAASA-N 277.408 3.551 0 40 CHAB CN(C(=O)OC(C)(C)C)c1cccc2ncccc12 89773656 JEUVJKYHURWYIJ-UHFFFAOYSA-N 258.321 3.606 0 40 CHAB Cc1cc(O)nc(-c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)n1 1857624787 OJUSNTDHNIRWRL-LLVKDONJSA-N 297.402 3.880 0 40 CHAB O=C(c1cccs1)N(Cc1ccsc1)C1CC1 44446500 JFLVZTFBBYYVOM-UHFFFAOYSA-N 263.387 3.614 0 40 CHAB Cc1cc(C(=O)N(Cc2ccsc2)C2CC2)c(C)o1 44446507 QSZYVIPFJREKNV-UHFFFAOYSA-N 275.373 3.763 0 40 CHAB Clc1ccc(OCC[C@H]2CCCCN2)cc1Cl 20221554 NYEJRTCMRJBPRE-SNVBAGLBSA-N 274.191 3.904 0 40 CHAB C[C@H](SC1CCCC1)c1nc2ccccc2c(=O)[nH]1 15545149 YHPFUMYRZVWJDJ-JTQLQIEISA-N 274.389 3.660 0 40 CHAB CC(C)c1ccccc1OCC(=O)NCCc1ccccc1 516664 AGIRSFKYBHIHRG-UHFFFAOYSA-N 297.398 3.548 0 40 CHAB Cc1cccc(OCc2nc(-c3ccccc3)no2)c1C 577353 ZNVSVYQLJFUHFZ-UHFFFAOYSA-N 280.327 3.932 0 40 CHAB CCC(=O)O[C@@H](C)COc1ccc(C(C)(C)C)cc1 2046279 NEFNHMXPJLEBTD-LBPRGKRZSA-N 264.365 3.705 0 40 CHAB CCCN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 6879152 PGYVAPOLIUUUKD-DHZHZOJOSA-N 281.764 3.786 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cccnc2Cl)c1 482789 MOQDVCXRDXZHOT-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 8303211 SPZRDSCHURSRLJ-ZDUSSCGKSA-N 271.335 3.554 0 40 CHAB CC1CCN([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 7389262 PGNPCILAJMKQEW-LLVKDONJSA-N 298.789 3.538 0 40 CHAB Cc1ccc(N[C@H](C)C(=O)Nc2nc(C)cs2)c(C)c1 7460067 AEAHYZOGXOIYRC-GFCCVEGCSA-N 289.404 3.507 0 40 CHAB C[C@@H](NC(=O)c1cc(Cl)ccc1O)c1cccs1 21905701 MAVJKBHXOOESKA-MRVPVSSYSA-N 281.764 3.598 0 40 CHAB CC(C)(C)[C@@H](NC(=O)N1CCSCC1)c1ccccc1 46894057 IESWJQRYPUAKCS-AWEZNQCLSA-N 292.448 3.532 0 40 CHAB C[C@H](NC(=O)c1cccnc1)c1cccc(C(F)(F)F)c1 23547155 GOIAAICSXGSHSH-JTQLQIEISA-N 294.276 3.591 0 40 CHAB COc1cc2ccccc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113951807 RDBQQPIVPPMUHC-SRCQZFHVSA-N 295.382 3.767 0 40 CHAB CCCC[C@H](NC=O)c1ccc(Cl)cc1Cl 3163835 UJGHPUAXFJNMKV-LBPRGKRZSA-N 260.164 3.971 0 40 CHAB CC(C)n1cnc2cc(NCc3ccccn3)ccc21 17440273 YMVHZSKEDGSNRM-UHFFFAOYSA-N 266.348 3.624 0 40 CHAB Fc1cccc([C@@H]2NCc3ccccc3-n3cccc32)c1 55028075 ONYKPVGUPQMSPC-SFHVURJKSA-N 278.330 3.809 0 40 CHAB Cc1cccc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)c1 56001057 CHLYDUIVRADOGR-QGZVFWFLSA-N 298.386 3.506 0 40 CHAB O=C(c1cccc2ccccc12)N1CCC(F)(F)CC1 684517816 RIKCNLITDDJWDS-UHFFFAOYSA-N 275.298 3.711 0 40 CHAB O=C(c1ccncc1)N(Cc1ccccc1)Cc1ccco1 58281612 PMZNWXCKNZMHMC-UHFFFAOYSA-N 292.338 3.517 0 40 CHAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 7886417 NTOCTBPOLIYTBS-INIZCTEOSA-N 266.344 3.663 0 40 CHAB CC[C@@H](O)c1ccccc1NC(=O)c1ccc(F)cc1 13957423 VOWQGYODSVOESD-OAHLLOKOSA-N 273.307 3.521 0 40 CHAB O=C(O)c1cc(/C=C/c2cccc(O)c2)nc2ccccc12 6508048 HRDRKTYUVQMXGN-CMDGGOBGSA-N 291.306 3.809 0 40 CHAB C[C@@H](Cc1cccs1)Nc1ncnc2sccc12 70140885 CXFFKXDQDOQNSE-VIFPVBQESA-N 275.402 3.796 0 40 CHAB c1ccc2c(c1)CC[C@H]2N(Cc1noc(C2CC2)n1)C1CC1 71841051 ICXPJCYOZLKDRP-MRXNPFEDSA-N 295.386 3.599 0 40 CHAB C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccncc1F 97135924 DPSIOAUESAZOCZ-OCCSQVGLSA-N 299.349 3.631 0 40 CHAB CCn1c(SC(=O)c2ccco2)nc2ccccc21 408692420 MCLMFCHKHRANOP-UHFFFAOYSA-N 272.329 3.582 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2F)cc1 20457325 VCMUEEJLYKMWIK-GFCCVEGCSA-N 257.308 3.625 0 40 CHAB Cc1ccc(-n2nc3oc4ccccc4cc-3c2=O)c(C)c1 33020891 HFTVXWCOXUTKOM-UHFFFAOYSA-N 290.322 3.700 0 40 CHAB Cc1cccc(-c2cccc([C@@H]3CCCN(C)C3)n2)c1 72348547 QTJOGVGUNQJIRW-MRXNPFEDSA-N 266.388 3.866 0 40 CHAB Cc1cc(OCC[C@@H]2CCCNC2)ccc1C(C)C 42773549 SBHYWGQUQVYITJ-HNNXBMFYSA-N 261.409 3.887 0 40 CHAB CSc1nc2nccc(-c3cccc4ccccc34)n2n1 40285535 WZISDNWOODJPIT-UHFFFAOYSA-N 292.367 3.666 0 40 CHAB Cc1ccc(C)c(C(=O)NCCOc2cccc(C)c2C)c1 223967569 LGCJENJWSYSNQK-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB O=C(c1cccc(F)c1)c1ccccc1Br 43210167 BBDDPXLKWVKTGP-UHFFFAOYSA-N 279.108 3.819 0 40 CHAB Cc1ccc(Nc2ccc(C(=O)NC(C)C)cc2N)c(C)c1 225418392 UNJAVLXENAYNGK-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB Cc1c(N)cccc1[C@@H](O)c1ccc(C(C)C)cc1 226291751 DCVRZOKEGHHZLY-KRWDZBQOSA-N 255.361 3.782 0 40 CHAB C[C@@H]1CC(=O)c2cnn(-c3c(Cl)cccc3Cl)c2C1 199727516 FYUBOPKGMXROCQ-QMMMGPOBSA-N 295.169 3.944 0 40 CHAB S=C(Nc1ccncc1)NC1(c2ccccc2)CCCC1 225874241 SQMIWUHHIALLOC-UHFFFAOYSA-N 297.427 3.838 0 40 CHAB CCCOC(=O)c1ccc(Nc2ccccc2)c(N)c1 225416168 MVOSAWLYZWYDLE-UHFFFAOYSA-N 270.332 3.579 0 40 CHAB CC(C)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96194057 GEBYYXYWULUBAN-UHFFFAOYSA-N 284.344 3.722 0 40 CHAB CN(C)c1ccc(C(=O)c2cccc(F)c2Cl)cc1 95916765 OEJSWOMTDRYQLM-UHFFFAOYSA-N 277.726 3.776 0 40 CHAB C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)C1CC1 55397489 HWALXOCGHCPFAC-GFCCVEGCSA-N 290.370 3.902 0 40 CHAB Cc1c(Cl)cc(Cl)cc1I 72283152 DBZFEAIDJAWMTM-UHFFFAOYSA-N 286.927 3.906 0 40 CHAB Cc1nc(CN2CCC[C@H]2CC(=O)c2ccccc2)oc1C 95965478 QKPMNZZJGHSPTK-INIZCTEOSA-N 298.386 3.529 0 40 CHAB CCCCN1CCC(N[C@@H](C)CSCC(C)C)CC1 95967519 LWFPVPWGUVVVFX-HNNXBMFYSA-N 286.529 3.618 0 40 CHAB CC(C)CCn1ccc(Nc2nc3ccccc3o2)n1 96001990 XMUWIJZUTVLGSS-UHFFFAOYSA-N 270.336 3.814 0 40 CHAB CCc1nc(C)c([C@H](C)N(C)CCc2ccccn2)s1 96424499 GWJJNDTZEWSBMC-ZDUSSCGKSA-N 289.448 3.644 0 40 CHAB CCCCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 5552370 FNVDHYZMYKEWRO-RAXLEYEMSA-N 275.373 3.831 0 40 CHAB CCCOc1ccc(CN[C@@H](C)CC)cc1OCC 20933301 XCGHHZYDHXPUFP-ZDUSSCGKSA-N 265.397 3.762 0 40 CHAB FC(F)(F)c1nc2c(Br)ccc(Cl)c2[nH]1 258330069 CAYLSEZPEBSUFT-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB C[C@H](NC(=O)c1ccoc1)c1cc2ccccc2o1 18203970 LPPGFVKTSPAHED-JTQLQIEISA-N 255.273 3.517 0 40 CHAB CCc1ccc(CCC(=O)NCCCc2ccccc2)cc1 13647412 OELANKAVDPETBR-UHFFFAOYSA-N 295.426 3.931 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1cccc(Cl)c1 13821415 MXDPUPYDSUPIED-SECBINFHSA-N 256.802 3.815 0 40 CHAB CC1(C)CC(=O)CC(C)(C)C1NC(=O)Nc1ccccc1 16577700 MHJVJQKXFNRZSX-UHFFFAOYSA-N 288.391 3.592 0 40 CHAB Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)O)cc2)c1 8368102 AHXHRUVHLKARSF-VCHYOVAHSA-N 283.327 3.517 0 40 CHAB Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2)cc1 4610927 GSHDUYGZSFGJIY-GDNBJRDFSA-N 296.757 3.566 0 40 CHAB CC[C@@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32 20432308 WYJAPUKIYAZSEM-RTBURBONSA-N 294.398 3.775 0 40 CHAB biogenic,in-vitro CC(C)[C@H](C)NC(=O)COc1ccccc1C(C)(C)C 70272308 HGWYQTQIQWYCOA-ZDUSSCGKSA-N 277.408 3.524 0 40 CHAB COc1ccc2[nH]c3c(C)c4c(c(C)c3c2c1)CN(C)CC4 1662324 CBTLFIIMNHKZFR-UHFFFAOYSA-N 294.398 3.934 0 40 CHAB O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc(Cl)s1 101321 BVSAZXANXALXQP-NSHDSACASA-N 292.743 3.886 0 40 CHAB CC(=O)c1c(C)[nH]c(-c2nc(NC3CC3)sc2C)c1C 8297368 FKHOITNUYOGELX-UHFFFAOYSA-N 289.404 3.840 0 40 CHAB Cc1nnc(Cl)c2nn(-c3ccc(Cl)cc3)c(C)c12 383425 SJSWZCYPEPKBPN-UHFFFAOYSA-N 293.157 3.739 0 40 CHAB CCCCCC[C@H](C)NC[C@@H](O)COc1cccc(C)c1 1731830 VEOSVJOBGXMFHF-DLBZAZTESA-N 293.451 3.683 0 40 CHAB Cc1ccc(NC(=O)COc2cccc(C)c2C)c(C)c1 3154578 OWCWVMIBMQSDCG-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CCc1ccccc1NC(=O)Cc1c[nH]c2ccccc12 2633876 BYBDMLPYPOVZIR-UHFFFAOYSA-N 278.355 3.912 0 40 CHAB O=C(Oc1ccc(F)cc1)c1ccc(Cl)cc1 4615447 QFOOQWZABMLXPS-UHFFFAOYSA-N 250.656 3.698 0 40 CHAB CCCc1nnc(SCc2ccc(F)cc2)n1CC 7605270 RFNOWZZSJROAAL-UHFFFAOYSA-N 279.384 3.682 0 40 CHAB Cc1ccc([C@]2(CC(=O)O)CCO[C@@H](C(C)C)C2)cc1 488609 ZSAAYPTYOKXXHF-NVXWUHKLSA-N 276.376 3.543 0 40 CHAB biogenic COc1cc2occ(-c3csc(C)n3)c(=O)c2cc1C 407256 BHAGKOHFMWAUNW-UHFFFAOYSA-N 287.340 3.542 0 40 CHAB biogenic Cc1ccc(CNC(=O)c2cc(-c3ccccc3)no2)cc1 32913614 MYNUFVZZYKMEOM-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB O=C(/C=C/c1ccccc1F)NCC1(c2ccccc2)CC1 32901873 CZNSZNDKGLPFLT-ZHACJKMWSA-N 295.357 3.687 0 40 CHAB Cc1ccc(SCCC(=O)N[C@H](C)C(C)C)cc1 57160007 LFHWZBMHPYGGGV-CYBMUJFWSA-N 265.422 3.638 0 40 CHAB CCCC[C@@H]1OC[C@@]2(COC(C)=O)[C@@H](C)[C@H]1C(C)=C[C@H]2C 100740804 PTOBLQWYQHCBCQ-FZMABENVSA-N 294.435 3.973 0 40 CHAB biogenic CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCC(C)CC1 20111131 DUOLCOHPFVIGHD-KRWDZBQOSA-N 289.419 3.719 0 40 CHAB CCC[C@@H](C)NC(=O)NCCc1c[nH]c2cc(C)ccc12 89949469 KXOAIBHJQUHLQZ-CYBMUJFWSA-N 287.407 3.507 0 40 CHAB COC(=O)c1cn(Cc2ccccc2F)c2ccccc12 807286 GCRHYDANIHVPRI-UHFFFAOYSA-N 283.302 3.615 0 40 CHAB O=C(O)C1(c2ccc(Br)c3ccccc23)CC1 114416817 KNIXJTOPSQXQCN-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB Brc1ccc(SC[C@H]2CCCNC2)cc1 43471728 HZGSEUWGGYYBER-JTQLQIEISA-N 286.238 3.541 0 40 CHAB FC(F)(F)c1nc(Cl)c2cccc(Cl)c2n1 26894571 DUFQBSCSMKOULJ-UHFFFAOYSA-N 267.037 3.955 0 40 CHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC(C)(C)C)c1 52413772 AXUOLHGTDCYWOD-ZDUSSCGKSA-N 277.408 3.800 0 40 CHAB C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccoc1 101104357 MSBGXQSDBDHIGV-ZNZDAUKMSA-N 297.398 3.710 0 40 CHAB CO[C@H](C)c1cccc(N[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 108462824 UIHKEERKLQQKBS-ZOMKSWQUSA-N 276.424 3.535 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)no2)cc1 27581004 QPYGUHKYWDLJEP-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB Cc1ccc(F)c(NC(=O)c2ccc3c(c2)CCC3)c1 12746130 CWVTXRAGQKRINV-UHFFFAOYSA-N 269.319 3.875 0 40 CHAB COc1cc2ccccc2cc1C(=O)Nc1ncc(C)s1 3560746 XAMXXEVGTPCQGQ-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB Cc1sc([C@H](C)N)nc1-c1ccc(Cl)cc1 3708661 XYPLJIPSPRVZHJ-ZETCQYMHSA-N 252.770 3.792 0 40 CHAB CCCNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 409139330 MZKMNNZRMJLVIJ-NBVRZTHBSA-N 295.382 3.762 0 40 CHAB COc1ccc(CNCc2c(C)noc2C)c2ccccc12 65490188 NXCHSQFMYNMLIV-UHFFFAOYSA-N 296.370 3.743 0 40 CHAB Cc1ccc(NC(=O)/C=C/c2nc3ccccc3o2)cc1 6601024 PFWWJLBKJHDWMR-ZHACJKMWSA-N 278.311 3.788 0 40 CHAB c1ccc2[nH]c(SCc3nc4ccccc4o3)nc2c1 6657733 KFKPZMODNJIJRC-UHFFFAOYSA-N 281.340 3.996 0 40 CHAB c1ccc(Oc2ccc(OC[C@H]3CCCNC3)cc2)cc1 14631243 RWFQHFAWSSDSRQ-HNNXBMFYSA-N 283.371 3.857 0 40 CHAB in-vitro CCCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O 4813647 IUBFXWZENMVJGH-RAXLEYEMSA-N 291.372 3.532 0 40 CHAB Cc1ccccc1[C@H](C)NCc1nc2ccccc2n1C 66969962 LVDMCGZZABSJOS-AWEZNQCLSA-N 279.387 3.733 0 40 CHAB Cc1ccccc1-n1c(S)nnc1-c1ccccc1F 4900880 XXMNEYRXBXJYFR-UHFFFAOYSA-N 285.347 3.671 0 40 CHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2)c1 7071466 YHQQQONNHUBKOU-UHFFFAOYSA-N 298.342 3.816 0 40 CHAB Cc1cc(C[S@](=O)Cc2ccc(C(C)C)cc2)on1 71858827 RUEBYRTZBJFSQX-IBGZPJMESA-N 277.389 3.555 0 40 CHAB Cc1cn(-c2ccccc2)nc1NC(=O)N1CCCCCC1 71883797 RUNLFUZHJXOIPF-UHFFFAOYSA-N 298.390 3.589 0 40 CHAB Cc1cc(-c2nnc(NCc3ccsc3)o2)c(C)o1 97114565 HLRVGXSHDBPJCC-UHFFFAOYSA-N 275.333 3.620 0 40 CHAB CCN(C)c1cccc(NC(=O)N2C[C@H]3CC=CC[C@@H]3C2)c1 78936960 OPZGGFMKPBBETI-HUUCEWRRSA-N 299.418 3.573 0 40 CHAB c1cc(NCc2ccco2)cc(-c2nc(C3CC3)n[nH]2)c1 95440185 GMLQLBOTWGEMAL-UHFFFAOYSA-N 280.331 3.554 0 40 CHAB CCOC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)n(C)n1 95929138 BUKFPOSTEKJGKG-UHFFFAOYSA-N 299.157 3.571 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N(C)C2CCCCC2)cc1 22533060 HWGYICAKHQZXLA-CQSZACIVSA-N 275.392 3.553 0 40 CHAB O=C1CCCC[C@@H]1c1ccc(Br)cc1 62624954 FQJMFYMWRHUBHC-LLVKDONJSA-N 253.139 3.676 0 40 CHAB Cc1nc2cc(NC(=O)N(C(C)C)C(C)C)ccc2n1C 409126859 GHIFCMIZYOLCPC-UHFFFAOYSA-N 288.395 3.532 0 40 CHAB C[C@@H](Cc1cccs1)NC(=O)Cc1ccccc1Cl 38565804 GVDRLZUTEXOQIS-NSHDSACASA-N 293.819 3.691 0 40 CHAB CCc1ccc(NC(=O)[C@@H](C)n2cnc3ccccc32)cc1 31814797 TZFPLVKTJSXWIH-CYBMUJFWSA-N 293.370 3.798 0 40 CHAB CC/C=C/CCOC(=O)c1cc(Br)ccc1N 71602914 HDDHBOMDFLJZBE-ONEGZZNKSA-N 298.180 3.544 0 40 CHAB O=Cc1ccc(OC(=O)/C=C\c2ccc(Cl)cc2)cc1 72193609 XUFNBLVXOZFFES-YHYXMXQVSA-N 286.714 3.771 0 40 CHAB CC(C)(C)C[C@@H](NC(=O)C1CC1)c1ccc(F)cc1 48331726 HETGBXSHDTVNNN-CQSZACIVSA-N 263.356 3.829 0 40 CHAB Cc1cc(CNC[C@H](C)c2cccc(Cl)c2)on1 188263473 YKLVKIQTJVQJGZ-JTQLQIEISA-N 264.756 3.530 0 40 CHAB CC[C@H](c1ccccc1)c1nc(-c2ccccc2N)no1 44732129 DZIYJMZKNLONIK-CYBMUJFWSA-N 279.343 3.861 0 40 CHAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(F)c(F)c1 225612952 VMGGVAXIQCLSQR-UHFFFAOYSA-N 299.679 3.939 0 40 CHAB Cc1ccncc1C(=O)c1ccc(C(C)(C)C)cc1 45029013 QYLOIDNTPAQRLN-UHFFFAOYSA-N 253.345 3.919 0 40 CHAB Cc1ccc(CN(C)C(=O)c2ccc(C)cc2C)cc1 225863958 ARJWYVKXPASNMP-UHFFFAOYSA-N 267.372 3.884 0 40 CHAB CCc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)cc1 225042160 YFJCVSFWFYEFJQ-QGZVFWFLSA-N 284.355 3.632 0 40 CHAB COC(=O)[C@@H](C)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223193412 OPWNEBZMJUILNU-QWHCGFSZSA-N 275.392 3.649 0 40 CHAB CC(C)CO[C@H](Cc1cccc(Cl)c1Cl)C(=O)O 225084521 RDMOOLGLTDHUPV-LLVKDONJSA-N 291.174 3.662 0 40 CHAB O=Cc1ccc(F)cc1OCc1cccc(Cl)c1 95738865 JIDCROLCBJPELF-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB CCc1c(C2CC2)[nH]c2ccc(Br)cc2c1=O 685938192 FWXUZDISMBPEJZ-UHFFFAOYSA-N 292.176 3.730 0 40 CHAB Cc1cccc(C(=O)N2CC[C@@H](c3cccs3)C2)c1 825212646 SLOQCRWFNIRNKH-CQSZACIVSA-N 271.385 3.686 0 40 CHAB CCOC(=O)[C@@H]1CC[C@@H](NC2CCC(C)(C)CC2)C[C@@H]1C 95451040 WNQZBQCCYVWQBJ-NUEKZKHPSA-N 295.467 3.913 0 40 CHAB COc1ccc(CNc2ccc(C)cc2)cc1OC 394985 RDVKCCRDEYWIJZ-UHFFFAOYSA-N 257.333 3.624 0 40 CHAB CC(C)C[C@H](N)C1(c2cc(F)ccc2F)CCC1 1772715003 YJIXKTLYBMZLHT-AWEZNQCLSA-N 253.336 3.760 0 40 CHAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O 518473 DNXHEGUUPJUMQT-MUQADHOPSA-N 270.372 3.817 0 40 CHAB in-vitro O=C(CCc1ccccc1)Nc1ccc2ncsc2c1 9472008 DFBYIOBDZXSAKH-UHFFFAOYSA-N 282.368 3.868 0 40 CHAB COc1cc(F)ccc1C(=O)CCC1CCCC1 575357292 DLKNGNYACPFTOG-UHFFFAOYSA-N 250.313 3.987 0 40 CHAB O=C(Nc1cccc(Br)c1)N1CCCCCC1 40095249 MQEGNJDSZPKNRZ-UHFFFAOYSA-N 297.196 3.857 0 40 CHAB CCn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O 148205 DTCYOLBLWOCNMU-UHFFFAOYSA-N 288.347 3.592 0 40 CHAB CCCc1noc([C@@H](C)Nc2ccc3oc(C)nc3c2)n1 40511389 XIDONPULAGNYLD-SECBINFHSA-N 286.335 3.645 0 40 CHAB CCOc1ccc(NC(=O)[C@]2(C)C[C@H]3C=C[C@H]2C3)cc1 100926725 JSPMBDXGNFGWDS-GDZNZVCISA-N 271.360 3.626 0 40 CHAB CCCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(C)C 200867 BNMSMTYJYKEGRD-ZDUSSCGKSA-N 287.407 3.670 0 40 CHAB O=C(c1ccc2ccccc2c1O)[C@H]1CCCC[C@H]1C(=O)O 268995 PEAHXHATDQRGOQ-UONOGXRCSA-N 298.338 3.619 0 40 CHAB Cc1ccc(C(=O)c2ccccc2CN2CC=CC2)cc1 2515874 VXTHILSCADLDCL-UHFFFAOYSA-N 277.367 3.598 0 40 CHAB CCCC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 200815 KOUQIWZCZXNEEP-LBPRGKRZSA-N 273.380 3.595 0 40 CHAB O=C(Nc1ccccc1)N1[C@@H]2CCc3ccccc3[C@H]21 1708278 DILHHYVHNYYOIG-QNRNLVPOSA-N 264.328 3.590 0 40 CHAB COCCNc1nnc(-c2ccc(C)cc2)c2ccccc12 3244610 KIJOLGCUGUERKT-UHFFFAOYSA-N 293.370 3.664 0 40 CHAB CC(=O)Nc1ccc(/C=C/c2ccccc2NC(C)=O)cc1 3845533 NFULWUIXPPQFKX-JXMROGBWSA-N 294.354 3.774 0 40 CHAB Nc1ccccc1CC(=O)Nc1c(Cl)cccc1Cl 535338 IKNFXGMHIHFPRS-UHFFFAOYSA-N 295.169 3.757 0 40 CHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccccc1Cl 578644 RFVHQNMPFSIRIJ-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB COc1ccccc1NC(=O)/C=C/Sc1ccccc1 8328652 RENDQDGPOLVOGY-VAWYXSNFSA-N 285.368 3.940 0 40 CHAB CCOC(=O)c1cccc(C(=O)CCc2cccc(C)c2)c1 43211939 HTEBPGOMNASESW-UHFFFAOYSA-N 296.366 3.987 0 40 CHAB O=c1[nH]c(/C=C/C=C/c2ccccc2)nc2ccccc12 1797162 OICANHBIKPAMGE-GODDPXKCSA-N 274.323 3.650 0 40 CHAB CC[C@@]1(C)C[C@@H]([C@H](CCN)c2ccccc2)CCO1 102806771 XFYDEOVNLBSXAJ-BBWFWOEESA-N 261.409 3.714 0 40 CHAB CCc1ccc2oc(-c3ccco3)c(OC)c(=O)c2c1 1987811 FOGDIOYJTSABCG-UHFFFAOYSA-N 270.284 3.624 0 40 CHAB Cc1c(-c2cccs2)nn(Cc2ccccc2)c1N 26512189 OSWBLMRCCMXOMC-UHFFFAOYSA-N 269.373 3.551 0 40 CHAB COC(=O)c1c(Cc2cccc(C(F)(F)F)c2)c[nH]c1C 3407984 SKOYCAKDFBPXFH-UHFFFAOYSA-N 297.276 3.719 0 40 CHAB COc1cc(Nc2nc3ccccc3o2)cc(OC)c1 48544154 AMXWSDYCXFAAQD-UHFFFAOYSA-N 270.288 3.589 0 40 CHAB Cc1noc(CN(C)C(c2ccccc2)c2ccccc2)n1 12971850 VMSKXYCPPVEGGU-UHFFFAOYSA-N 293.370 3.599 0 40 CHAB CC(C)(C)NC(=O)CCCCCCCC(=O)NC(C)(C)C 4015786 HDTOVZCKBKMFLZ-UHFFFAOYSA-N 298.471 3.547 0 40 CHAB CCc1cccc(NC(=O)CSc2nc(C)cs2)c1 5101343 IWHIAMBHZJAABN-UHFFFAOYSA-N 292.429 3.745 0 40 CHAB Cc1ccc(F)c(NC(=O)c2cc(C)nc3onc(C)c23)c1 14209601 SZCISONOZPSLSH-UHFFFAOYSA-N 299.305 3.539 0 40 CHAB Cc1c(CCC(=O)O)c(Cl)nc2c(C)cccc12 4906982 PZBLOXKQTPKFFE-UHFFFAOYSA-N 263.724 3.522 0 40 CHAB C[C@@H](NC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1 15626106 SVUCXHKFTZDTDQ-SECBINFHSA-N 295.169 3.879 0 40 CHAB Cc1ccc(NC(=O)N2CCc3ccccc3C2)cc1C 15941087 IBFVTRQNLIVELK-UHFFFAOYSA-N 280.371 3.894 0 40 CHAB CN(Cc1cncs1)c1ccc2ccccc2c1 96003664 LARFWCQFHNIYIV-UHFFFAOYSA-N 254.358 3.933 0 40 CHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@H]1Cc1ccccc1 71835199 VOYDZCOAFFUSCA-YESZJQIVSA-N 295.382 3.617 0 40 CHAB CC[C@@H](c1ccccc1)[S@](=O)Cc1nc(C)c(C)o1 97083633 KNDFGTMXAUBJBN-LIRRHRJNSA-N 277.389 3.691 0 40 CHAB CCn1cc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cn1 97139794 WWXRJCPCWKWGGD-LBPRGKRZSA-N 282.347 3.731 0 40 CHAB O=C(NCCC1=CCCCC1)c1ccc(F)cc1F 28210700 ODECBBYQFNWLKP-UHFFFAOYSA-N 265.303 3.585 0 40 CHAB CC(=O)N(C1CC1)[C@H](C)c1cccc2ccccc12 73840764 IXHNVIPSJZZXBR-GFCCVEGCSA-N 253.345 3.912 0 40 CHAB Cc1nccc(NC(=O)COc2cccc(C(C)C)c2)c1C 89556252 HGHCLFNVCBVQPH-UHFFFAOYSA-N 298.386 3.839 0 40 CHAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@@H]1C[C@H]1C1CC1 89807772 YQLYYWPQTOHMDG-JKSUJKDBSA-N 277.367 3.923 0 40 CHAB CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 408820601 XEFAAVPTIOPYNG-WTKPLQERSA-N 288.155 3.660 0 40 CHAB COc1ccccc1CN(C)C(=O)c1ccc(Cl)cc1 30862283 CLYSWFOBKDFEKJ-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1F 61838013 OVDABHKNYBMMTQ-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB Cc1cccc(CNC(=O)CCSCc2ccccc2)c1 218996583 NSOOXPNXZHKEFG-UHFFFAOYSA-N 299.439 3.935 0 40 CHAB CC1(NC(=S)Nc2c(F)cccc2F)CCCCC1 225860481 UKJBSKRHOZUZEV-UHFFFAOYSA-N 284.375 3.974 0 40 CHAB Fc1c(F)c(F)c(-c2nc3ncccc3o2)c(F)c1F 226293974 YQDVEJBGYGDMSK-UHFFFAOYSA-N 286.159 3.585 0 40 CHAB CCCCO[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225095579 AUWOOBXEJQECBP-LBPRGKRZSA-N 290.281 3.518 0 40 CHAB CCOc1ccc(C(=O)N2CCc3ccccc32)cc1C 223494291 PHKMKBYHUWURRB-UHFFFAOYSA-N 281.355 3.597 0 40 CHAB CCc1ccccc1C[C@@H](Oc1cc(C)cc(C)c1)C(=O)O 225040050 GMBSAYFWPPPFSN-GOSISDBHSA-N 298.382 3.941 0 40 CHAB C[C@@H](N)COc1ccccc1Oc1cccc(Cl)c1 257313019 UQQIKJMIVVIFFF-LLVKDONJSA-N 277.751 3.858 0 40 CHAB O=C(C1CC=CC1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 252482525 DIFMVXUCQBYJIM-GFCCVEGCSA-N 287.325 3.534 0 40 CHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccoc1 16299644 LPKMJLLPPXZGER-GFCCVEGCSA-N 293.775 3.900 0 40 CHAB Cc1cnn(CCN[C@@H](C)c2cccc3ccccc23)c1 75610866 SFGABFKGCULIPV-HNNXBMFYSA-N 279.387 3.696 0 40 CHAB CC[C@H]1CCCN(Cc2nc3ccccc3s2)C1 58790618 ZRATXKPGBYTWGC-LBPRGKRZSA-N 260.406 3.918 0 40 CHAB Oc1cc(O)c2cc(-c3ccc(O)c(F)c3)sc2c1 13472839 FHRLXXNPJFFTRA-UHFFFAOYSA-N 276.288 3.824 0 40 CHAB [N-]=[N+]=Nc1ccccc1C(=O)Oc1ccccc1C=O 33374080 PTPDDRPTKWXZQR-UHFFFAOYSA-N 267.244 3.660 0 40 CHAB C[C@H](CC(=O)O)CC(=O)c1ccc(C(C)(C)C)cc1 15441775 NPXVVJVOXBGDSA-NSHDSACASA-N 262.349 3.668 0 40 CHAB CCCCNC(=O)C1=Cc2cc(Cl)ccc2OC=C1 15838593 XCSRCTZKZNPEHI-UHFFFAOYSA-N 277.751 3.546 0 40 CHAB CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(OC)cc1 7037291 VPTKPSWBEXWIDQ-MOVXZBDNSA-N 295.382 3.976 0 40 CHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 3845469 TYQWYBWNFZCZMT-KHYOSLBOSA-N 299.414 3.965 0 40 CHAB COc1ccc(-c2[nH]nc(C(F)(F)F)c2Cl)cc1 16159130 KZZYYUCBMOCWEH-UHFFFAOYSA-N 276.645 3.758 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CC2(CC(c3ccccc3)C2)C1 1776000614 AZQWKSPBEUYFBL-MRXNPFEDSA-N 281.399 3.749 0 40 CHAB CC(C)CC(=O)Nc1nnc(C2CCCCC2)s1 51571 DVKQWDPSFCGMFV-UHFFFAOYSA-N 267.398 3.570 0 40 CHAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccnc1 36332 HXLWYXFNMBZDTM-MWLCHTKSSA-N 285.174 3.611 0 40 CHAB O=C(NCc1ccc(F)cc1)Nc1c[nH]c2ccccc12 5299885 JZRAYGNFVZGAOY-UHFFFAOYSA-N 283.306 3.629 0 40 CHAB Cc1ccc(NC(=O)CSc2cccs2)c(F)c1 40082071 MSMWPPBUVZICDH-UHFFFAOYSA-N 281.377 3.926 0 40 CHAB Cc1ccc(C(=O)C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 40090661 KCLHBVXAHJATLE-XIRDDKMYSA-N 299.414 3.605 0 40 CHAB Cc1sc2ncnc(Nc3cccc(O)c3)c2c1C 250286 KINCKDYCAJCMTN-UHFFFAOYSA-N 271.345 3.757 0 40 CHAB COCc1ccccc1NC(=O)N[C@@H](C)c1ccc(C)o1 46032986 YBTWYPKDECWMCW-LBPRGKRZSA-N 288.347 3.617 0 40 CHAB CCCCCOC(=O)Nc1ccc(OCC)cc1 1732307 QPRDTZBCETUFCP-UHFFFAOYSA-N 251.326 3.824 0 40 CHAB O=C(Nc1nccs1)c1csc(-c2ccccc2)n1 8060563 ZPGPRBSHGOCZSB-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB Cc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1 543836 JYZKKYDMIQUISY-UHFFFAOYSA-N 292.367 3.828 0 40 CHAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1 53155916 FSFPHCHXDZKOFI-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CCOc1cc(-c2ccccc2)sc1C(=O)NC(C)C 59297898 BNTAQCBDDPYFBP-UHFFFAOYSA-N 289.400 3.952 0 40 CHAB O=C(Nc1ccccn1)c1occc1-c1ccccc1 12537970 WQOUEIZSDIMGCL-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CCCC1 8082088 PIZIXOKAFLWZLH-CMDGGOBGSA-N 283.293 3.777 0 40 CHAB CC(C)C[C@H](C)N(C)C(=O)N[C@H](C)Cc1ccsc1 57855996 NFHPWFLPDXWPQL-OLZOCXBDSA-N 282.453 3.755 0 40 CHAB O=C(OC/C=C/c1ccccc1)c1ccc(F)cc1 2069613 WGAVBXFZWWLTMW-QPJJXVBHSA-N 256.276 3.696 0 40 CHAB CCCn1ccnc1SCCO[C@@H]1CCCC[C@H]1C 58171628 JDWPTFCGAXDSOC-ZIAGYGMSSA-N 282.453 3.981 0 40 CHAB Cc1nc2ccccc2nc1CSc1nccn1C1CC1 58404804 RDCVGFGOFHLCSU-UHFFFAOYSA-N 296.399 3.762 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1cccnc1Cl 2392708 VUBJHCFVJRMCFS-UHFFFAOYSA-N 297.782 3.821 0 40 CHAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccncc1 36674782 QAPZJFJUHDRPOO-GFCCVEGCSA-N 288.778 3.545 0 40 CHAB Cc1occc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 48353936 FFOIWBBUASDPHM-JTQLQIEISA-N 261.296 3.560 0 40 CHAB O=C(Nc1cccc(NC(=O)C2CC2)c1)C1CCCCC1 12884369 YHHXPQMYOWXDMQ-UHFFFAOYSA-N 286.375 3.554 0 40 CHAB Cc1ccsc1C(=O)Nc1ccccc1OC(F)F 3414814 VJNKYAMBSGLWOM-UHFFFAOYSA-N 283.299 3.910 0 40 CHAB O=C(Nc1nccs1)C1(c2ccc(Cl)cc2)CCC1 3437564 OYENASZJFXYFCZ-UHFFFAOYSA-N 292.791 3.857 0 40 CHAB Cc1cccc(C)c1NC(=O)CSc1nc(C)c(C)o1 8299343 UGBAFJAIWJQQTL-UHFFFAOYSA-N 290.388 3.639 0 40 CHAB Clc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 4539498 STKNATNNGDLXQY-UHFFFAOYSA-N 286.718 3.969 0 40 CHAB CC1=C[C@@H](C)[C@H](CN2CCO[C@@H]2C(C)C)[C@H](C)C1 61854986 ZINAYKAEPVIUEM-LVQVYYBASA-N 251.414 3.539 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccccc3o2)c(O)c1 6606441 KYUKPAAMFUBOEC-UHFFFAOYSA-N 267.284 3.699 0 40 CHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC(F)(F)F 6881616 YWTJJOBZJBMBKX-UHFFFAOYSA-N 293.288 3.575 0 40 CHAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccco1)C2 4992921 GZCLAYWRQNNOMJ-CYBMUJFWSA-N 292.338 3.686 0 40 CHAB Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1Cc1ccccc1 9052072 MWHFPORMWDFMBB-UHFFFAOYSA-N 298.773 3.718 0 40 CHAB CC(C)C[C@@H](C)OC(=O)c1cncnc1-c1ccccc1 96013411 LYARSQHOLUDYOT-CYBMUJFWSA-N 284.359 3.735 0 40 CHAB FC(F)(Cl)Oc1ccc(Br)cc1 32266366 QBFJZAGJDZAVQT-UHFFFAOYSA-N 257.461 3.617 0 40 CHAB C[C@@H](N(C)C(=O)c1ccc(Br)o1)C(C)(C)C 32788144 PFBDUFOZRAYNMG-MRVPVSSYSA-N 288.185 3.549 0 40 CHAB CCOc1ccc(-c2nc3cc(C)cc(N)c3o2)cc1 70461444 XERAQFZSXXJVOW-UHFFFAOYSA-N 268.316 3.784 0 40 CHAB CC(C)c1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)O 72220442 OKNQSFBJVDZISK-UHFFFAOYSA-N 264.712 3.552 0 40 CHAB CSc1ccc([C@@H]2CCCCN2C(C)C)cn1 72216902 QKXLLSQVJCQSRY-ZDUSSCGKSA-N 250.411 3.739 0 40 CHAB CCCCN1CCCC[C@H]1c1cnc(OC)cc1C 72218041 YNOFBPFVXZURAW-HNNXBMFYSA-N 262.397 3.726 0 40 CHAB Cc1ccc(COc2ccccc2-c2cc(N)[nH]n2)cc1 226104351 QZOXFDNMQNHWBZ-UHFFFAOYSA-N 279.343 3.546 0 40 CHAB CCc1cccc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 48367063 YXQSVDIOAHTHLF-LSDHHAIUSA-N 296.414 3.927 0 40 CHAB COc1ccccc1NC(=O)c1conc1-c1ccccc1 225871435 AFSQFXBVNRDYQS-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB CCCCSCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 96416892 XKTSSDGUONLONF-CQSZACIVSA-N 280.437 3.602 0 40 CHAB CCCCOc1ccc(Cl)cc1-c1noc([C@H](C)N)n1 256049839 BRHZSUGNWOXSKF-VIFPVBQESA-N 295.770 3.589 0 40 CHAB CC[C@@H](C(=O)N1CCC2(CC1)CC2(F)F)c1ccccc1 650599809 BVBKPAKGXGVQCV-CQSZACIVSA-N 293.357 3.828 0 40 CHAB CCCOc1ccc(CN[C@H](C)CC)cc1OCC 20933307 XCGHHZYDHXPUFP-CYBMUJFWSA-N 265.397 3.762 0 40 CHAB CN(C(=O)CCCOc1ccccc1)c1ccccc1 13596128 SSEQLNLMYKGARN-UHFFFAOYSA-N 269.344 3.509 0 40 CHAB O=C(NCCSc1ccccc1)c1ccc(Cl)cc1 18214464 YLJQUMKKGOTGQV-UHFFFAOYSA-N 291.803 3.862 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 19463232 IAFWDNUHCNWVCC-KBRIMQKVSA-N 294.398 3.597 0 40 CHAB CC[C@H](N[C@@H](C)CC(C)(C)OC)c1ccc(OC)cc1 37062569 IGLUDTWYPHTQNX-BBRMVZONSA-N 279.424 3.940 0 40 CHAB CCOc1ccc(Cn2c(C)ccc2C)cc1OCC 8729275 XOPPVDPEBLICFF-UHFFFAOYSA-N 273.376 3.951 0 40 CHAB O=C(/C=C/c1ccc(-c2ccccc2)cc1)NC1CC1 47111 NNVCUEGCJRSVOC-MDWZMJQESA-N 263.340 3.645 0 40 CHAB Cc1cc(C)cc(NC(=S)NC2CCCCC2)c1 99112 YSMSZJXFBZXZGG-UHFFFAOYSA-N 262.422 3.923 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@H]2c2cccnc2)c1 129726 GXSRBWMJCOVIHU-INIZCTEOSA-N 281.359 3.759 0 40 CHAB c1csc(-c2nnc3n2-c2ccccc2SC3)c1 160231 MKKPWOKLXHRYLV-UHFFFAOYSA-N 271.370 3.602 0 40 CHAB Nc1nccc(-c2ccc(-c3cccs3)s2)n1 108267 JWEPHJMZSUTZLQ-UHFFFAOYSA-N 259.359 3.516 0 40 CHAB Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1 137317 IPILUUVPKDVHOY-UHFFFAOYSA-N 274.327 3.561 0 40 CHAB Cc1cccc(C(=O)c2cccc(CN3CCCC3)c2)c1 2515047 GQSYNYJMCDVEOH-UHFFFAOYSA-N 279.383 3.822 0 40 CHAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 311664 RMRBLLORKPIXTP-QGZVFWFLSA-N 299.370 3.881 0 40 CHAB Cc1ccc(C)c(C(=O)Nc2nnc(CC(C)C)s2)c1 2624753 KGAIEHSCPHGLOR-UHFFFAOYSA-N 289.404 3.606 0 40 CHAB CC(C)(CO)[C@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@H]12 4025301 UUJKDBXPGVPHKQ-YXMSTPNBSA-N 264.409 3.545 0 40 CHAB CCC[C@@H](C)NC(=O)c1nc(-c2ccccc2)oc1C 32962424 OKJFYZVWFDTBOV-LLVKDONJSA-N 272.348 3.568 0 40 CHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(N)cc1 8614999 XUEHUKMVOSJLFC-APHBMKBZSA-N 275.392 3.886 0 40 CHAB CC1(C)C[C@@H](NC(=O)c2ccccc2)c2ccccc2O1 10542950 ZWEUBWAAOCADSK-OAHLLOKOSA-N 281.355 3.719 0 40 CHAB C[C@@H]1[C@@H](NC(=S)NCc2ccc(F)cc2)CCC[C@H]1C 108970138 YFBJGYBZUDJHJR-XUJVJEKNSA-N 294.439 3.615 0 40 CHAB O=C(c1c[nH]c2ccccc12)[C@@H](NC1CC1)c1ccccc1 57388184 VWFGESQTNNAWJA-SFHVURJKSA-N 290.366 3.844 0 40 CHAB Cc1nc(NC(=O)Cn2c(C)cc3ccccc32)sc1C 29764288 ILDSRORCWQCCNG-UHFFFAOYSA-N 299.399 3.662 0 40 CHAB CCn1cc(/C=C\c2cc[n+](C)cc2)c2cc(OC)ccc21 8744392 ZSNFBABAZONAQY-UHFFFAOYSA-N 293.390 3.665 0 40 CHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1F 6345802 PXEKHKRVGJKTQG-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2C)cc1C 9140024 IWPHHASMNFIHHF-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB CCOc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 19736497 LHSHKYCBDXUNRW-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB Nc1nc(-c2cccs2)cc(-c2ccccc2F)n1 62710341 UFFUVNPHPROTNP-UHFFFAOYSA-N 271.320 3.593 0 40 CHAB C[C@@H](NC(=O)[C@@H](C)n1cccc1)c1ccc2c(c1)CCCC2 84651746 HXJOEFGEJXEJBG-HUUCEWRRSA-N 296.414 3.805 0 40 CHAB Cc1nc2ccc(Br)cc2n1C(C)(C)C 95629693 SWXZXPZZABCIAC-UHFFFAOYSA-N 267.170 3.862 0 40 CHAB c1ccc([C@H]2C[C@H]2CNc2cccc(-c3nc[nH]n3)c2)cc1 89828040 JYWRFNAJEBVZNX-DOTOQJQBSA-N 290.370 3.687 0 40 CHAB CCOc1ccc(C(=O)c2cc(F)c(F)c(F)c2)cc1 55200054 YFNGXOVDPQCINL-UHFFFAOYSA-N 280.245 3.734 0 40 CHAB Cc1cc(N(C)C)ncc1[C@@H]1CCCN1Cc1ccccc1 72218669 XKSDZYINVYPGIZ-SFHVURJKSA-N 295.430 3.793 0 40 CHAB CC[C@H](O)c1cnc(Sc2ccccc2)c(C)c1 72222146 QKOUJSSCPUUIOP-AWEZNQCLSA-N 259.374 3.985 0 40 CHAB C[C@]12CC[C@@H]3c4cc(O)ccc4CC[C@@H]3[C@@H]1CC[C@@H]2O 4769221 YEOSPIFUAAHCPK-IAVJCBSLSA-N 272.388 3.609 0 40 CHAB biogenic Cc1cc(Nc2ccc(C(=O)O)cc2)c2cc(O)ccc2n1 39325603 RKSGKAXQQNXNTI-UHFFFAOYSA-N 294.310 3.691 0 40 CHAB Fc1cccc(Cn2ccc(-c3ccccc3)n2)c1 78639664 PYYQYMPVXJTEDS-UHFFFAOYSA-N 252.292 3.738 0 40 CHAB CCCN1CCCC[C@H]1c1ccc(N2CCCC2)nc1C 72218939 LCDGNVWIVDILDQ-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB Cc1cc(SC2CCCCC2)ncc1[C@H](C)N 72223843 QIUYMZIHKPUKNJ-NSHDSACASA-N 250.411 3.835 0 40 CHAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)C(C)C)cc(C)c1Cl 225207006 LLDAMALMRKNICD-QWHCGFSZSA-N 297.826 3.885 0 40 CHAB CCCN(c1c(C)cc(C)cc1C)[C@@H](CC)C(=O)O 225006145 IRZMAHZIMUQXBK-AWEZNQCLSA-N 263.381 3.691 0 40 CHAB Cc1c(N)cccc1C(=O)Nc1ccc2ccccc2c1 40309681 NDIPPECVVHKGON-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB CCN(CC(=O)Nc1ccccc1Cl)c1ccccc1 46082636 GLSUJZOJMGYEIR-UHFFFAOYSA-N 288.778 3.805 0 40 CHAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)C(C)C 225230832 QLAJLUHWVVNCJQ-WFASDCNBSA-N 297.826 3.967 0 40 CHAB Cc1ccc(NC(=S)NC(C(C)C)C(C)C)cc1 225325567 BSDVQDMIBDHFMA-UHFFFAOYSA-N 264.438 3.962 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1ccccc1F 47219966 WRNFNKSSFGPNRK-CYBMUJFWSA-N 283.346 3.736 0 40 CHAB COc1ccc(OCCn2cnc3cc(C)c(C)cc32)cc1 40224065 AJBONCIRRJYVLP-UHFFFAOYSA-N 296.370 3.741 0 40 CHAB FC(F)(F)C1CCN(c2nccc3occc23)CC1 266207112 LNRDGNJHFNDPNI-UHFFFAOYSA-N 270.254 3.607 0 40 CHAB CS(=O)(=O)c1ccccc1SCc1ccc(F)cc1 96410921 VXVYRUSMUSFVSF-UHFFFAOYSA-N 296.388 3.522 0 40 CHAB Cc1ccc(Oc2cccc([C@H]3CCCNC3)n2)cc1 257197624 FFFYZFGWZFVLAR-AWEZNQCLSA-N 268.360 3.649 0 40 CHAB Fc1ccccc1CN1CCC[C@H]1c1cccc2nccn12 257319028 VQJVMXJZACXGAF-INIZCTEOSA-N 295.361 3.811 0 40 CHAB Fc1cc(Cl)ccc1CN1CCC[C@H]1c1cnccn1 257315655 VCHIGCDOELLXRL-HNNXBMFYSA-N 291.757 3.606 0 40 CHAB C[C@@H]1[C@@H](Nc2cccc(C[S@](C)=O)c2)CCC[C@H]1C 253370551 SILIOTDCYBBNAK-YGOSVGOTSA-N 279.449 3.802 0 40 CHAB O=C(c1cc(Cl)cc(Cl)c1)[C@H]1CC=CC[C@H]1C(=O)O 95634180 KNWDHWYRCHLYCK-NWDGAFQWSA-N 299.153 3.843 0 40 CHAB CCN(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1C 105646974 LPYYFQXISCWLHN-SOUVJXGZSA-N 288.460 3.884 0 40 CHAB CC[C@@H](NCc1ccc(C)cn1)c1ccccc1OC 95416623 OYUGZESLZVSLQO-MRXNPFEDSA-N 270.376 3.640 0 40 CHAB CCCCCNC[C@@H](O)c1ccc(Cl)c(Cl)c1 2048088 JAZILVNOHQJZKN-CYBMUJFWSA-N 276.207 3.807 0 40 CHAB CCN1C(=O)S/C(=C\C(C)=C\c2ccccc2)C1=O 5552341 ZURHRDTUJZQDOF-QXGKOBNPSA-N 273.357 3.689 0 40 CHAB Clc1nc(Cl)c2cc(Br)sc2n1 260005390 SZLGVKPPRDUDTI-UHFFFAOYSA-N 283.965 3.761 0 40 CHAB Cc1ccc(SCCNC(=O)NC2CCCCC2)cc1 13610613 CBNCSSZZVHPKBY-UHFFFAOYSA-N 292.448 3.719 0 40 CHAB C[C@@]1(O)CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C 4655128 JXQJDYXWHSVOEF-ICBNADEASA-N 286.415 3.999 0 40 CHAB O=C(O)CCc1ccc(OCC2CCCCC2)cc1 395682 GGBGUTIKECCSQK-UHFFFAOYSA-N 262.349 3.663 0 40 CHAB CC(C)CC(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732857 CVXYZDHZQMPKAO-UHFFFAOYSA-N 295.404 3.627 0 40 CHAB CCc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 149614 YQWFWCOAHFRQSD-JLHYYAGUSA-N 281.355 3.910 0 40 CHAB CCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1 128752 CHDBZNZUQCQBPE-ZDUSSCGKSA-N 269.344 3.576 0 40 CHAB Cc1ccc(NC(=O)NCc2nc(C)cs2)c(Cl)c1 40525662 KSCGVIUNHPDDAX-UHFFFAOYSA-N 295.795 3.735 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CNc1ccccc1)C2 502377 VWXHTADNWYJLIR-JCKWVBRZSA-N 287.403 3.857 0 40 CHAB CC(=O)c1ccc2c(c1)CCc1cc(O)c(C(C)=O)cc1-2 1641035 HQDVPDPWKZZJAF-UHFFFAOYSA-N 280.323 3.563 0 40 CHAB CC[C@@H](CC(C)C)C(=O)OCCOc1ccccc1 1672088 UPLDCHKHXPZLKL-AWEZNQCLSA-N 264.365 3.681 0 40 CHAB CCc1c(Cl)nc(N)nc1Nc1ccc(C)c(C)c1 1682044 DCESIQLJPZZMSY-UHFFFAOYSA-N 276.771 3.635 0 40 CHAB c1ccc2c(c1)CCCN2c1ncnc2ccccc12 1683823 NVOKTPNLFPWRFT-UHFFFAOYSA-N 261.328 3.714 0 40 CHAB O=C(O)CCCCCC(=O)c1ccc(Cl)cc1 2378614 VTMPXLZTKLJLID-UHFFFAOYSA-N 254.713 3.558 0 40 CHAB Cc1sc2ncnc(N(C)Cc3ccco3)c2c1C 6876018 APPBTSOQHQFHRD-UHFFFAOYSA-N 273.361 3.538 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccccc1 21638382 CXXKCMCPYORFSK-LLVKDONJSA-N 257.358 3.508 0 40 CHAB O=C(CCCc1ccccc1)Nc1cccc2cn[nH]c12 32930946 YBILSHBBNDWPJZ-UHFFFAOYSA-N 279.343 3.524 0 40 CHAB O=C(O)c1cccc(-c2nccc(Oc3ccccc3)n2)c1 32918471 YMLLSHQCLFYDLY-UHFFFAOYSA-N 292.294 3.634 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2C(=O)c1ccccc1 100367441 IVDVAMTYPIOUEQ-DCGLDWPTSA-N 256.345 3.511 0 40 CHAB CSc1ccc([C@@H](C)Nc2cc(Cl)nc(N)n2)cc1 42102818 FZYXGUAYTATDMC-MRVPVSSYSA-N 294.811 3.607 0 40 CHAB C[C@@H](NC(=O)CCc1cccnc1)c1cccc(Cl)c1 23482997 CKNKJMKFTUIECN-GFCCVEGCSA-N 288.778 3.545 0 40 CHAB Cc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 100748582 PUOKFGFSKDLUKS-QZTJIDSGSA-N 285.387 3.719 0 40 CHAB CCC(=O)c1cc(OC(F)(F)F)ccc1Cl 108000602 UXOVAZONWGQHJR-UHFFFAOYSA-N 252.619 3.831 0 40 CHAB COc1ccc(C[C@@H](C)N[C@@H](C)c2ccccc2)cc1 35647632 OMJHYGQXULQISO-CABCVRRESA-N 269.388 3.977 0 40 CHAB in-vitro Cc1ccc(NC(=O)c2cnc(C)s2)c(Cl)c1 58014952 JZABTJXNLYVRIA-UHFFFAOYSA-N 266.753 3.666 0 40 CHAB Cc1cccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 113945700 JTLOEXVGVSSAGZ-INIZCTEOSA-N 297.398 3.696 0 40 CHAB Fc1cccc([C@H]2CCCN2Cc2nnsc2Cl)c1 44976909 JFXKWKMYBLUQAG-GFCCVEGCSA-N 297.786 3.668 0 40 CHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1 3333588 IBAKFBQLUUVAOS-ZYHUDNBSSA-N 272.373 3.713 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1ccc(OC(F)F)cc1 3609181 NMMXMCHUSSAYFU-UHFFFAOYSA-N 295.260 3.608 0 40 CHAB O=C(NCc1ccccc1)Nc1ccc(F)c(Cl)c1 25052691 QPOUDTFOINLVBG-UHFFFAOYSA-N 278.714 3.801 0 40 CHAB C[C@@H](c1ccccc1)N(C)Cc1nc(-c2ccco2)no1 13010424 BBTJWDVMPKVLOD-LBPRGKRZSA-N 283.331 3.523 0 40 CHAB CC(C)CCC(=O)Nc1nc(-c2ccccc2)ns1 48918826 QHGZKEPJRLYYBT-UHFFFAOYSA-N 275.377 3.580 0 40 CHAB O=c1oc2c(Cl)cc(Cl)c(Cl)c2s1 4013969 VSPNVXNEAFMINZ-UHFFFAOYSA-N 255.509 3.815 0 40 CHAB NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 6127033 LARJJEMUTNCPLC-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB Cc1ccc(F)c(NS(=O)(=O)c2ccccc2Cl)c1 5127049 TXQBSTLPAFFREO-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB O=C(NCC1(c2ccccc2)CC1)c1ccccc1Cl 8772655 NZGSBMXFGCRJSG-UHFFFAOYSA-N 285.774 3.802 0 40 CHAB O=C(CCCOc1ccccc1)Nc1ccc(F)c(F)c1 14401710 GWPCGRLKPPAEMQ-UHFFFAOYSA-N 291.297 3.763 0 40 CHAB COc1ccc([C@H](N)c2ccc(C(F)(F)F)cc2)cc1 19476467 YQCQSGAABUDZAD-CQSZACIVSA-N 281.277 3.762 0 40 CHAB in-vitro Cc1n[nH]cc1CNC(=O)c1ccc(C2CCCCC2)cc1 68239017 KYNONKFQTXLDBN-UHFFFAOYSA-N 297.402 3.696 0 40 CHAB CCc1nc(C[S@@](=O)Cc2cc(C)cc(C)c2)cs1 83830350 BCBLEMQYBYOZBB-LJQANCHMSA-N 293.457 3.771 0 40 CHAB C[C@@H](Sc1nnc2ccccn12)c1ccc(F)cc1 9721981 FDKNLIGROFXKSL-SNVBAGLBSA-N 273.336 3.722 0 40 CHAB CCN(C(=O)CC1=CCCCC1)c1nc(C)cs1 72292227 GUQGBWJEUAJPJH-UHFFFAOYSA-N 264.394 3.695 0 40 CHAB CC[C@@H](C)[C@H](C)NCc1nc(-c2cccc(C)c2)no1 95462641 NPYGPEOXFQQELY-OLZOCXBDSA-N 273.380 3.569 0 40 CHAB Cc1csc(CNc2ccn([C@H](C)c3ccccc3)n2)n1 95418593 VANCHWLGWVLJRW-CYBMUJFWSA-N 298.415 3.869 0 40 CHAB C[C@@H](CCO)C1(CNCc2ccc(Cl)s2)CCC1 95988548 FTYDHZJCXRSCCN-NSHDSACASA-N 287.856 3.680 0 40 CHAB CCCCOCc1c(Br)cnn1CC(C)C 408716502 NSOQAJKCLWVWQY-UHFFFAOYSA-N 289.217 3.618 0 40 CHAB CC[C@@H](O)c1cnc(N(C)c2ccccc2)cc1C 72223344 LQTQZWWYHKICQB-OAHLLOKOSA-N 256.349 3.601 0 40 CHAB CCc1nn(C)cc1N[C@@H](CC)c1ccc2c(c1)CCCO2 540782820 UZOSKSVYFGRNST-HNNXBMFYSA-N 299.418 3.871 0 40 CHAB CC(C)c1nc(CC(=O)NC2CCCCCC2)cs1 32476875 OCPPLOWRWCRDKO-UHFFFAOYSA-N 280.437 3.648 0 40 CHAB CCCNc1ccc([C@@H]2CCCN2CC(C)C)cn1 72213197 FTILUARQIYMTLT-HNNXBMFYSA-N 261.413 3.696 0 40 CHAB CCC(=O)c1ccc(N2CCCc3ccccc32)nc1 72225783 JSRNPMBUCXFEAQ-UHFFFAOYSA-N 266.344 3.759 0 40 CHAB CC(C)(C)C(=O)NCCSCc1ccc(Cl)cc1 223618917 WPZGEPCFIHJUFK-UHFFFAOYSA-N 285.840 3.736 0 40 CHAB Cc1ccc(CCC(=O)c2ccc3c(c2)OCO3)s1 199737249 ZRCNXVNAJJMJCQ-UHFFFAOYSA-N 274.341 3.601 0 40 CHAB Cc1ccc(COc2c(CO)ccc(C)c2C)cc1 95095205 TZKPETHXYMGTHR-UHFFFAOYSA-N 256.345 3.683 0 40 CHAB CCOC(=O)c1csc(Nc2ccccc2Cl)n1 95929220 XEVHGCIRKWOSHE-UHFFFAOYSA-N 282.752 3.717 0 40 CHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1 96318511 DCKHRVCFXAXECL-ZDUSSCGKSA-N 297.354 3.606 0 40 CHAB O=C(c1ccccc1)c1cc(Br)cnc1Cl 242688448 VQFNRVFJWRIGQP-UHFFFAOYSA-N 296.551 3.729 0 40 CHAB CC[C@H](C)n1ccc(NCc2cccc(F)c2F)n1 256050067 CMZPARYPMZAXQR-JTQLQIEISA-N 265.307 3.744 0 40 CHAB CN(C)c1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1 95916181 DKKDIWSBTRGHFO-UHFFFAOYSA-N 277.726 3.776 0 40 CHAB O=C(NC1(c2cccs2)CCCC1)c1ccco1 390828924 VJKWUVNDFBCPMJ-UHFFFAOYSA-N 261.346 3.540 0 40 CHAB CC(C)Oc1nc2c(C(F)(F)F)cccc2cc1N 685938556 OHMRRMIFIBOYLP-UHFFFAOYSA-N 270.254 3.623 0 40 CHAB Cc1cccc(NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c1 79100235 FXNGNVKSPJZMQX-AWEZNQCLSA-N 298.386 3.796 0 40 CHAB CC(C)(C)c1csc(NC(=O)c2ccnc(Cl)c2)n1 166949 JFEZTGLPSPSCAG-UHFFFAOYSA-N 295.795 3.741 0 40 CHAB O=S1(=O)CCCC1=C(c1ccccc1)c1ccccc1 5064041 IWJUIWJDRCAUJU-UHFFFAOYSA-N 284.380 3.655 0 40 CHAB CNc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1F 5240943 LXJHUBYIMYBZQM-UHFFFAOYSA-N 287.125 3.708 0 40 CHAB Cc1ccc2nc(Cc3ccc4nc(N)sc4c3)[nH]c2c1 5446363 BYYFQKHBZZUPOM-UHFFFAOYSA-N 294.383 3.654 0 40 CHAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1C 13582246 KBVLYDLWUBZOJK-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB Cc1ccc(Cl)cc1NC(=S)NC(=O)C(C)(C)C 14002728 BVJDFIPTOQSMND-UHFFFAOYSA-N 284.812 3.508 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1ccc(F)c(F)c1 19074369 LZUZZJMXLHSBNG-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1N 19278582 FFDLIMGAZXVSTP-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc2ccccc12 3386284 JNLQFKLCNNXMJB-RHSMWYFYSA-N 297.398 3.914 0 40 CHAB O=C(NCc1ccccc1)Nc1cc(Cl)nc(Cl)c1 163023 JLXRRWJXNAJLPY-UHFFFAOYSA-N 296.157 3.710 0 40 CHAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 40946576 CWTIRCRJELTHCY-CYBMUJFWSA-N 277.408 3.524 0 40 CHAB C[C@]1(c2ccccc2)NN=C(Cc2ccccc2)S1 6471060 IGGQEEOWYNHETB-INIZCTEOSA-N 268.385 3.752 0 40 CHAB CC(=O)c1ccc(NC(=O)C2[C@H]3CCC=CCC[C@H]23)cc1 18098401 JXZJEKZWRPLWPV-HOTGVXAUSA-N 283.371 3.820 0 40 CHAB CCc1nn2c(S)cc(C)nc2c1-c1ccc(F)cc1 13693388 OUUDPUBXLFLPED-UHFFFAOYSA-N 287.363 3.695 0 40 CHAB Cc1ccc(CNC(=O)CCCOc2ccccc2)s1 40122221 MYGGJHLIVPSPCQ-UHFFFAOYSA-N 289.400 3.532 0 40 CHAB CC(C)NCc1cc(-c2ccc(C(C)(C)C)cc2)n[nH]1 50479198 FCRKOBCIFSWJKQ-UHFFFAOYSA-N 271.408 3.872 0 40 CHAB FC(F)(F)[C@H]1C[C@@H](c2ccccc2)Nc2ccnn21 100774112 RKHNOQLBCDXICF-WDEREUQCSA-N 267.254 3.543 0 40 CHAB Cc1ccc([C@@H]2C=C(c3cccs3)Nc3ncnn32)cc1 100834939 LGZGQHCFEMPBPN-AWEZNQCLSA-N 294.383 3.704 0 40 CHAB Cc1occc1C(=O)N1CCC[C@@H]1c1ccsc1 40534479 ZBEWDMRUXMPXAL-CYBMUJFWSA-N 261.346 3.627 0 40 CHAB O=C(Oc1ccccc1)c1cc(Cl)cc(Cl)c1O 136197 PLIHAXTUDAJMFQ-UHFFFAOYSA-N 283.110 3.918 0 40 CHAB CCNC(=O)N[C@@H]1c2ccccc2CSc2ccccc21 347597 UDTQLIFTMFDQAL-MRXNPFEDSA-N 298.411 3.701 0 40 CHAB Cc1cc(C)nc(SCC(=O)c2c[nH]c3ccccc23)n1 351561 CWPKSUGPVWBNMX-UHFFFAOYSA-N 297.383 3.550 0 40 CHAB COc1ccc([C@H]2NCCC[C@H]2c2ccccc2)cc1 1700405 HOBHPIQVTRUWBT-ZWKOTPCHSA-N 267.372 3.904 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1cccs1 32747960 ZTMLAOANPVEEIE-QWHCGFSZSA-N 261.390 3.768 0 40 CHAB CCc1ccc(Nc2cc(C)nc(SC)n2)cc1 11907762 XVJSSMDTSNSERL-UHFFFAOYSA-N 259.378 3.813 0 40 CHAB O=C(CCc1ccc(Cl)cc1)NC1CCCCC1 11990537 SQIMJZDEMKBTDS-UHFFFAOYSA-N 265.784 3.722 0 40 CHAB CCCN(CC1CC1)C(=O)c1ccc2ccccc2c1O 32893609 LRQBOCFJGRWZPJ-UHFFFAOYSA-N 283.371 3.808 0 40 CHAB O=C(COc1ccc(Cl)cc1Cl)Cc1ccncc1 2780053 QGAAJEBFVCDVLK-UHFFFAOYSA-N 296.153 3.579 0 40 CHAB CCc1cccc(NC(=O)c2noc3c2C[C@@H](C)CC3)c1 20213348 UVYSKANMPQFNMA-NSHDSACASA-N 284.359 3.614 0 40 CHAB C[C@H](CNC(=O)NC[C@@H](C)c1ccccc1)c1ccccc1 25053663 DGBPBGMPCPPOAD-HZPDHXFCSA-N 296.414 3.893 0 40 CHAB CCOc1ccc([C@@H](C)NCc2csc(C)n2)cc1 35052949 OBTVXEZUKJLYLI-LLVKDONJSA-N 276.405 3.701 0 40 CHAB COc1ccc(C[C@H](C)N[C@@H](C)c2ccccc2)cc1 35647631 OMJHYGQXULQISO-GJZGRUSLSA-N 269.388 3.977 0 40 CHAB Cc1ccccc1[C@@H]1OC2=Nc3ccccc3NC2=C1O 103981346 ZUGSXUFFDHAQHN-INIZCTEOSA-N 278.311 3.992 0 40 CHAB Cc1ccc(C)c(CC(=O)N[C@@H](C)CCc2ccccc2)c1 20460054 MIQZLJCNCOIDDI-KRWDZBQOSA-N 295.426 3.983 0 40 CHAB Fc1cccc([C@H]2CCCN2CCc2ccncc2)c1 48248667 OOHIQGYXYNRHBJ-QGZVFWFLSA-N 270.351 3.600 0 40 CHAB O=C(NC1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 13021821 KAEUCIHJHGTXNX-UHFFFAOYSA-N 282.387 3.719 0 40 CHAB CSc1cccc(NC(=O)NCc2ccc(F)cc2)c1 13320060 VBJTZYWQEXTUFU-UHFFFAOYSA-N 290.363 3.869 0 40 CHAB C[C@H]1c2cccn2CCN1C(=O)Nc1cccc(Cl)c1 17742809 RBJCJJINMWLGEJ-NSHDSACASA-N 289.766 3.750 0 40 CHAB CCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1C 9264126 MPQXXLGJNOFALT-UHFFFAOYSA-N 278.783 3.670 0 40 CHAB c1cncc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)c1 96002763 HZVKUQCZDOIZJB-KRWDZBQOSA-N 296.418 3.560 0 40 CHAB COc1ccc(OC(=O)c2ccc3sc(C)nc3c2)cc1 408977265 HWXUUSDIMMMZMV-UHFFFAOYSA-N 299.351 3.833 0 40 CHAB Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1Cl 5560313 CGZPCOMKDAWJHI-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB Cc1ccc([C@@H](O)CN[C@@H](C)CCc2ccccc2)cc1 76082201 AEOIERRZSZMVIE-LPHOPBHVSA-N 283.415 3.639 0 40 CHAB CCN(CCC(F)(F)F)C(=O)c1cccc(Cl)c1 69383887 ZDEIAUNTCIFZTK-UHFFFAOYSA-N 279.689 3.755 0 40 CHAB C[C@@H](SCc1ccccc1F)C(=O)NC1CCCC1 71818578 TTYWGZKVPHRFCJ-LLVKDONJSA-N 281.396 3.506 0 40 CHAB Cc1ccc(CN[C@H]2CCOc3ccccc32)cc1 19962722 BWQIDBABVNNJGX-INIZCTEOSA-N 253.345 3.608 0 40 CHAB Cc1ccccc1-c1cc(O)cc2sc(=O)oc12 72193624 YLXSKPQIQDGHGM-UHFFFAOYSA-N 258.298 3.536 0 40 CHAB O=C(Nc1c(F)cccc1Br)[C@@H]1CC=CCC1 84246024 IDGAEQSMYNIULJ-SECBINFHSA-N 298.155 3.883 0 40 CHAB CCc1noc(C)c1NC(=O)NC(C)(C)c1ccccc1 95974393 VDWJXFWZQANMLS-UHFFFAOYSA-N 287.363 3.602 0 40 CHAB O=C(NCCC(c1ccccc1)c1ccccc1)NC1CC1 24566347 QWFJQHMZNAJFDD-UHFFFAOYSA-N 294.398 3.670 0 40 CHAB CC(C)c1ccc(-n2ncc3c(Cl)ncnc32)cc1 62202919 BYVNXYDIGLOWJL-UHFFFAOYSA-N 272.739 3.592 0 40 CHAB c1cnc2c(CSC3=NCCS3)cccc2c1 73924309 ATCFTXULIQJQOR-UHFFFAOYSA-N 260.387 3.571 0 40 CHAB CC(C)CC(=O)Nc1ccc(-c2nc3cnccc3o2)cc1 32071618 LELHLERDXLMAGK-UHFFFAOYSA-N 295.342 3.874 0 40 CHAB O[C@H](c1c(Cl)cccc1C(F)(F)F)C(F)(F)F 1536132704 JCDKKLVZGGBQEA-SSDOTTSWSA-N 278.579 3.955 0 40 CHAB Cc1ccc(C)c(-c2noc(-c3cccc(N)c3)n2)c1 89262377 QLPVLLYYALQUQR-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)NCC1CCCCC1 224435990 XKDLTLUGRDLOME-INIZCTEOSA-N 289.419 3.849 0 40 CHAB CCCCSc1nnc(Sc2nccc(C)n2)s1 96412842 NXBLYSUXRKKCSB-UHFFFAOYSA-N 298.462 3.680 0 40 CHAB CCC(=O)c1ccc(OCCC(C)C)c(OC)c1 95739984 ANZUGEIDLLPTPR-UHFFFAOYSA-N 250.338 3.713 0 40 CHAB C[C@@H]1CCCN([C@H](CN)c2ccc(Cl)c(Cl)c2)C1 242648364 QUIZRRFSKOTIJC-QMTHXVAHSA-N 287.234 3.725 0 40 CHAB C[C@@H](C1CC1)N(Cc1nc(-c2cccs2)no1)C1CC1 46060047 IYBNJQLQTMMMBW-JTQLQIEISA-N 289.404 3.561 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2ncccc2c1 106097028 SLWFTQCHRSWLPE-YDHLFZDLSA-N 280.371 4.000 0 40 CHAB C[C@@H](c1ccco1)N(C(=O)N[C@H]1CC=CCC1)C1CC1 86401433 UNAOIQJTNVIHMU-STQMWFEESA-N 274.364 3.623 0 40 CHAB COc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 5550829 ISIPGHUQILMXQM-LLVKDONJSA-N 289.762 3.840 0 40 CHAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccccc2)c1C 5404470 QFYOECVCTYVZQO-HNNXBMFYSA-N 283.371 3.560 0 40 CHAB Cc1ccc(C)c(C(=O)[C@@H](O)c2cc(C)ccc2C)c1 8637695 QUVANMPSSGWWDD-KRWDZBQOSA-N 268.356 3.837 0 40 CHAB C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(F)c1F 89929729 SABVNAVFIWYMPQ-QMMMGPOBSA-N 272.270 3.510 0 40 CHAB C[C@H](NC(=O)Nc1ccncc1)c1ccc(Cl)s1 40145802 LKGMQPZVZGBNBT-QMMMGPOBSA-N 281.768 3.679 0 40 CHAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1ccccc1 361893 BAWRUUABAPVIIA-HNNXBMFYSA-N 283.371 3.560 0 40 CHAB Cc1ccc(-c2nnnn2-c2cccc(Cl)c2C)cc1 411302 CTHPDVITXIZMRR-UHFFFAOYSA-N 284.750 3.600 0 40 CHAB CC1=C[C@@H]2[C@@H](c3ccccc3)Nc3ccccc3N2C1=O 1558540 FTURAVHDLMSXIS-IAGOWNOFSA-N 276.339 3.515 0 40 CHAB Cc1cc(C)c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 4109626 SIQGKPGBLYKQBB-ZNMIVQPWSA-N 257.377 3.987 0 40 CHAB C1CCN(C2(CNC3CCCC3)CCCCC2)CC1 21506308 XKBMDIOBMXKXJE-UHFFFAOYSA-N 264.457 3.707 0 40 CHAB Cc1cc(CN(C)C(=O)Nc2cccc3ccccc23)no1 46885355 BVBHHUFQFGVJBZ-UHFFFAOYSA-N 295.342 3.800 0 40 CHAB Cc1cc(Br)c(NC(=O)c2ccco2)cc1C 9582954 YNZIYBHUCDPDTI-UHFFFAOYSA-N 294.148 3.911 0 40 CHAB CC(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 1284130 MFMMQNFPYVHUSN-UHFFFAOYSA-N 297.354 3.834 0 40 CHAB CCO[C@@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1 1388423 GOKVIMNWZMCYMH-IRXDYDNUSA-N 269.344 3.932 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)cc1 113955027 APGVZCRIAZZOAC-GFCCVEGCSA-N 287.334 3.794 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 1393216 WSRPJNIWZJGTDS-UHFFFAOYSA-N 280.371 3.848 0 40 CHAB Cc1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C 106248304 FFKIOYGCRMVTLW-UMVBOHGHSA-N 274.433 3.778 0 40 CHAB C[C@H]1C[C@H]1C(=O)OCc1ccc(Cl)cc1Cl 3259536 HHVOGRFDSJSCMB-OIBJUYFYSA-N 259.132 3.693 0 40 CHAB CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1 3337089 JOFBAIYXQVOHDR-GXFFZTMASA-N 286.400 3.967 0 40 CHAB COc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1 19908955 NHIUKCJAMTZFSC-LRDDRELGSA-N 271.360 3.701 0 40 CHAB C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1cccnc1 10262241 RSGFGVZKMKHRIP-SNVBAGLBSA-N 298.371 3.574 0 40 CHAB COc1ccc(C(=O)CSc2ccccc2)c(OC)c1 36181215 PFOTXPVZSQCIQJ-UHFFFAOYSA-N 288.368 3.679 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1 3551947 MMBWMKHHJNUTFO-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB CC[C@@H](C)Cc1c(C)sc2nc(C3CC3)[nH]c(=O)c12 48860660 RXWZMQUNZLBPHX-MRVPVSSYSA-N 276.405 3.759 0 40 CHAB CCc1ccc(CNc2nc3ccccc3n2C)cc1 13361844 OBQDAEGSPHBSLW-UHFFFAOYSA-N 265.360 3.748 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cccc(COC)c1 5278391 UAIYWYOROZQZLJ-UHFFFAOYSA-N 283.371 3.956 0 40 CHAB Cc1ccc(NC(=O)N/C=C/c2ccco2)cc1C 5417287 MFGJTANABRPVDF-BQYQJAHWSA-N 256.305 3.689 0 40 CHAB Cc1ccc2c(c1)c1ncnc(N3CCC[C@@H](C)C3)c1n2C 5490033 ZJPYKGTWLHTNEA-CYBMUJFWSA-N 294.402 3.666 0 40 CHAB CCCNc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 7844119 OESJXAQURDJHNT-UHFFFAOYSA-N 277.393 3.780 0 40 CHAB CCn1c(CSC2=NCCS2)nc2c(F)cccc21 69445122 QIMJVFUMMNIZRX-UHFFFAOYSA-N 295.408 3.531 0 40 CHAB C[C@H](N[C@@H](c1ccccc1)c1ccccn1)c1ccccn1 95349350 RDOQRUWYOYYMFD-KXBFYZLASA-N 289.382 3.917 0 40 CHAB CCc1nc(CNc2cccc(Cl)c2NC(C)C)no1 89117891 JBAXBVXIFSLANM-UHFFFAOYSA-N 294.786 3.718 0 40 CHAB Cc1nc(O)ccc1[C@@H]1CCCCN1Cc1ccccc1 72218226 NMOCIPNDBINPRR-KRWDZBQOSA-N 282.387 3.823 0 40 CHAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccccc1 20459914 DZKYPUXKINIMCH-SFHVURJKSA-N 297.398 3.950 0 40 CHAB COc1ccccc1C(=O)N(C)Cc1ccc(Cl)cc1 30862835 KJRPJYJOKSLWKL-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB COc1cc(Cl)c2[nH]c(Cc3ccccc3)nc2c1 216912299 DAYSPYLVEZJMJN-UHFFFAOYSA-N 272.735 3.816 0 40 CHAB CCc1ccc(-c2cn3nc(CC)sc3n2)cc1 8606680 SBXHZVLLTNPTLT-UHFFFAOYSA-N 257.362 3.583 0 40 CHAB CC(=O)N1CCC(c2cccc(-c3ccccc3C)n2)CC1 72357540 ANCGSDUKBZMSKK-UHFFFAOYSA-N 294.398 3.783 0 40 CHAB Cc1cnccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72219510 QRORWESXLBGTBY-QGZVFWFLSA-N 296.370 3.864 0 40 CHAB O=C(CCCc1nc2ccccc2o1)NCC1=CCCCC1 224950800 GCUVXBVUJDLZBY-UHFFFAOYSA-N 298.386 3.767 0 40 CHAB CCc1ccc(CC)c(CNC(=O)C2CCCC2)c1 225725314 YMFFWOIULUNURD-UHFFFAOYSA-N 259.393 3.618 0 40 CHAB CCCNCc1cc(C)n(Cc2ccccc2C)c1C 223662125 MEJIUBAKYSMMQK-UHFFFAOYSA-N 270.420 3.961 0 40 CHAB CCCOc1ncc(NC(=O)C2(C)CCCC2)cc1C 225881077 TZGPAOWHHFGXOT-UHFFFAOYSA-N 276.380 3.698 0 40 CHAB CCNCc1c(C)n(CC(C)C)c2ccc(OC)cc12 223762106 SDBXGPZBPFUATA-UHFFFAOYSA-N 274.408 3.724 0 40 CHAB CC(C)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O 44426625 YBWWLAMSRYWGMF-LLVKDONJSA-N 260.255 3.605 0 40 CHAB COc1cccc(Cc2nc3ccc(C)cc3o2)c1 199744476 ACWHHWSMNFYPDA-UHFFFAOYSA-N 253.301 3.736 0 40 CHAB COc1ccc2c(-c3ccccc3)cc3nnc(C)n3c2c1 96305920 SSAKTZAMNRPINK-UHFFFAOYSA-N 289.338 3.867 0 40 CHAB C[C@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 96079242 LVMVUODNDAZVLF-AWEZNQCLSA-N 294.398 3.696 0 40 CHAB CC[C@@H](C(=O)O)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260621902 PRINFNJWELKMDJ-OCCSQVGLSA-N 275.392 3.950 0 40 CHAB CCOC(=O)CCCC(=O)c1cc(F)c(Cl)c(F)c1 575357798 RGONAPRNHJIECQ-UHFFFAOYSA-N 290.693 3.534 0 40 CHAB Cc1c(C(C)C)[nH]c2cccc(Br)c2c1=O 685938690 ZZXFFZLCMUGHKF-UHFFFAOYSA-N 280.165 3.722 0 40 CHAB CSc1nn(-c2ccccc2)/c(=N\c2ccccc2)s1 409948 BKCCMLANOFIDBR-JQIJEIRASA-N 299.424 3.888 0 40 CHAB Cc1ccsc1CN(CCCN(C)C)Cc1ccco1 13992849 NFYWVWNAAKDJRC-UHFFFAOYSA-N 292.448 3.603 0 40 CHAB COc1ccc([C@@H](C)NC(=O)Cc2cc(C)ccc2C)cc1 19931830 SJMYZHCJTKFYAB-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB O=C(O)c1cc(C2CC2)nc2c(Br)cccc12 3756618 NCLFQQAYRZHSGY-UHFFFAOYSA-N 292.132 3.573 0 40 CHAB Cc1ccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc1 4138004 RYFUEJJNJKSHIA-UHFFFAOYSA-N 278.355 3.715 0 40 CHAB Cc1cc(F)ccc1NC(=O)NCCc1ccccc1F 40103547 DVGDQZUTMAWKND-UHFFFAOYSA-N 290.313 3.637 0 40 CHAB CCOc1ccc(C[C@H]2C(=O)N(CC)c3ccccc32)cc1 101014595 NVTNHGOONGBKHZ-QGZVFWFLSA-N 295.382 3.778 0 40 CHAB CCOc1ccc(CNc2ccc(OC)cc2)cc1 516872 ZHCDECGARQNCSQ-UHFFFAOYSA-N 257.333 3.706 0 40 CHAB O=C(NCCc1cccs1)c1ccc(F)cc1Cl 17909596 AYKPUXKBLGLSRB-UHFFFAOYSA-N 283.755 3.513 0 40 CHAB O[C@@H](c1ccccc1)c1ccccc1[C@@H](O)c1ccccc1 1672202 LLYOFPFZFTWUGU-PMACEKPBSA-N 290.362 3.850 0 40 CHAB CCCC1(C(=O)OCCN(CC)CC)CCCCC1 1719273 RRFROFRULGOMKN-UHFFFAOYSA-N 269.429 3.622 0 40 CHAB CN1c2ccccc2C(=O)N[C@@H]1c1ccc2ccccc2c1 21360795 FZECJRIOGVBBQX-SFHVURJKSA-N 288.350 3.718 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C 6315765 WXNJRRLVFUJILG-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB C[C@@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CC=CCC1 32930654 VUYLMWDALVFCBT-QWHCGFSZSA-N 277.795 3.744 0 40 CHAB CCOc1cc(CN[C@@H](C)CC)cc(Cl)c1OC 8326650 BBWKFIRFVCUASK-JTQLQIEISA-N 271.788 3.635 0 40 CHAB CCC[C@H](C(=O)Nc1ccccc1O)c1ccccc1 21866388 BVEPHEIIOAJDMR-AWEZNQCLSA-N 269.344 3.915 0 40 CHAB COc1cc(C(C)(C)C)cc(Br)c1OC 500950 VAVDKWZKMUOKNZ-UHFFFAOYSA-N 273.170 3.764 0 40 CHAB Cc1nc(N2CCCC[C@@H]2C)c2c3c(sc2n1)CCC3 753813 VCYAESUMYLMZTL-JTQLQIEISA-N 287.432 3.867 0 40 CHAB Cc1noc(C)c1C(=O)NCC1(c2ccccc2)CCCC1 22839133 ZVJOAMYKXDSAPW-UHFFFAOYSA-N 298.386 3.533 0 40 CHAB Nc1cccc(-c2ccnc3cc(-c4ccccc4)nn23)c1 12396184 DMVAJHNJVGZSPP-UHFFFAOYSA-N 286.338 3.646 0 40 CHAB Cc1ccc(/C=C/c2nc(SCC(C)C)n[nH]2)o1 23223009 QOCRUEYIUMZMIS-VOTSOKGWSA-N 263.366 3.625 0 40 CHAB CCOc1ccccc1C(=O)Oc1ccccc1C 1017224 KCLATIJBFCOPTK-UHFFFAOYSA-N 256.301 3.613 0 40 CHAB CC[C@@H](C)c1cc(Cl)ccc1O[C@@H]1CCCNC1 42775381 GHPIVTYDLTZREQ-DGCLKSJQSA-N 267.800 3.984 0 40 CHAB Cc1noc(C)c1CN1CCC[C@H]1c1ccccc1 54993333 LFJHNAJSHNMNBM-INIZCTEOSA-N 256.349 3.629 0 40 CHAB Cc1ccc(CN(C)C(=O)c2ccc[nH]c2=S)c(C)c1 25599062 JWVYAEINEMMZJJ-UHFFFAOYSA-N 286.400 3.633 0 40 CHAB Cc1ccc2nc(-c3ccc(O)cc3)c(C)c(C(=O)O)c2c1 20407601 FCOQTCRBVHUZFL-UHFFFAOYSA-N 293.322 3.922 0 40 CHAB CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1C=O 59354381 MSXXNEGBVGHVFB-UHFFFAOYSA-N 289.253 3.865 0 40 CHAB CCc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12555102 YQEUGQNWIGANDF-SFHVURJKSA-N 294.398 3.681 0 40 CHAB O=C1CCCc2c1cnn2-c1ccc(Cl)c(Cl)c1 57478214 PQMLHYHARYZLGY-UHFFFAOYSA-N 281.142 3.698 0 40 CHAB CCOc1cccc(CNC(=O)c2ccc(CC)cc2)c1 57669711 RACYKJFOHUDNNU-UHFFFAOYSA-N 283.371 3.578 0 40 CHAB CCOc1ncccc1NC(=O)CCCc1cccs1 27512927 WOTLZLFMXSZTPC-UHFFFAOYSA-N 290.388 3.503 0 40 CHAB CCCn1ccnc1SCCO[C@H]1CCCC[C@H]1C 58171629 JDWPTFCGAXDSOC-KGLIPLIRSA-N 282.453 3.981 0 40 CHAB C[C@@H](Nc1ncnc2sccc12)c1cccc(O)c1 58298232 GCXIAPCECYFNII-SECBINFHSA-N 271.345 3.570 0 40 CHAB CCOCCn1c(CCc2ccccc2)nc2ccccc21 28228157 DEGQMLLKFKMQNX-UHFFFAOYSA-N 294.398 3.858 0 40 CHAB CC(C)OP(=O)(OC(C)C)[C@@H](O)c1ccccc1 2286497 QCHMUMZWEDNROG-CYBMUJFWSA-N 272.281 3.721 0 40 CHAB CCCCn1c(-c2ccccc2)nc2ccccc2c1=O 2220879 ULYPVQSREHEKIA-UHFFFAOYSA-N 278.355 3.864 0 40 CHAB CCc1ccc2occ(CC(=O)Nc3cc(C)ccn3)c2c1 27587402 OXMCOQCUKORJQV-UHFFFAOYSA-N 294.354 3.880 0 40 CHAB CCc1ccc(OCc2ccc(C(=O)NC(C)C)o2)cc1 28230193 USRAWUXQEKJVJT-UHFFFAOYSA-N 287.359 3.559 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2ncsc2c1 12794849 IYDAMOLVUVHKCF-NSHDSACASA-N 294.379 3.888 0 40 CHAB COc1cccc(COc2cccc3c2CCC[C@H]3O)c1 12993709 BLJMKQDYDHECCF-QGZVFWFLSA-N 284.355 3.644 0 40 CHAB Cc1cc(C)c2c(C(=O)O)cc(-c3cccnc3)nc2c1 3756929 UVSBSSUGXMGZGV-UHFFFAOYSA-N 278.311 3.612 0 40 CHAB O=C(OCc1coc(-c2cccs2)n1)c1ccccc1 5128330 CLULYIFKTXMCCK-UHFFFAOYSA-N 285.324 3.760 0 40 CHAB CC[C@H](C)NC(=O)CSC1=Nc2ccccc2CS1 5297095 HRWPYSJGEWXLPT-JTQLQIEISA-N 294.445 3.569 0 40 CHAB C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccncc1 5636261 ZIZGKWATVUCBJM-LLVKDONJSA-N 286.400 3.513 0 40 CHAB Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1C 6811441 DWPSRAMEIDYBOX-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB CNc1nnc(SCc2cccc(Cl)c2)s1 7076631 ZDZUTMXSLMVXQL-UHFFFAOYSA-N 271.798 3.526 0 40 CHAB CCCn1cc(NCc2ccc(F)c3cccnc23)cn1 90191645 IUQWTCYVDOLBSW-UHFFFAOYSA-N 284.338 3.593 0 40 CHAB Cc1cccc(C)c1NC(=O)CN(C)CC1CCCCC1 7682827 YWQVJPSSSXXXRQ-UHFFFAOYSA-N 288.435 3.754 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(F)cc1 22538111 NRUDFPOHHUPBGQ-SECBINFHSA-N 279.261 3.595 0 40 CHAB CCCC(=O)Nc1ccc(N(CC)C(=O)CCC)cc1 72287322 DIRULDNOWWZCSN-UHFFFAOYSA-N 276.380 3.578 0 40 CHAB Cc1cc(C[S@@](=O)Cc2ccc(C(C)(C)C)cc2)no1 71859034 XDQLJKFIUOVWRG-HXUWFJFHSA-N 291.416 3.729 0 40 CHAB Cc1ccc(CNc2ccc(Br)cc2)o1 19922999 MIUOMMLLXBPQKB-UHFFFAOYSA-N 266.138 3.963 0 40 CHAB CN1CCC[C@@H]1c1nc(-c2cccc3ccccc23)no1 97102694 GVOOZCDCFWAVJA-OAHLLOKOSA-N 279.343 3.657 0 40 CHAB CC(C)CN1CCC(N[C@@H](C)CCc2ccccc2)CC1 89840164 GVFSLAQQVWQFPJ-KRWDZBQOSA-N 288.479 3.718 0 40 CHAB O=C(O)c1ccccc1-c1nc2cc(Cl)ccc2[nH]1 20375275 LOULCRJBESGMMJ-UHFFFAOYSA-N 272.691 3.582 0 40 CHAB Cc1cccc(CC(Cc2cccc(C)c2)C(=O)O)c1 37528503 MLCIHSYLNACGHG-UHFFFAOYSA-N 268.356 3.789 0 40 CHAB CCCN1CCC[C@H]1c1cnc(N2CCCCC2)cc1C 72219222 GEUJUBKFIPNFNI-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C)c1 225693814 XKYAZYQJZMGINZ-INIZCTEOSA-N 279.380 3.537 0 40 CHAB CCc1ccc(C[C@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1 225042975 QBACNSXQPVPSFH-SFHVURJKSA-N 298.382 3.941 0 40 CHAB CCOc1cccc(CNC(=O)c2cc3ccccc3o2)c1 48376845 SVJFHTQJAFSDAS-UHFFFAOYSA-N 295.338 3.762 0 40 CHAB Cc1nc([C@H]2CCCO2)sc1C(=O)Nc1ccccc1 136484899 SLPCEAZJCUBZFY-GFCCVEGCSA-N 288.372 3.555 0 40 CHAB CCO[C@@]1(C(=O)Nc2ccc(OC)cc2)CCC[C@H](C)C1 225712480 YXOIHWLLQOQYFH-GUYCJALGSA-N 291.391 3.619 0 40 CHAB CCN(Cc1ccccc1)C(=O)CCc1ccccc1F 47220738 RHUYXQUNOGTNOY-UHFFFAOYSA-N 285.362 3.807 0 40 CHAB CC(C)CNCc1cc(Cl)ccc1Br 85219864 RUKZIYQOTKFCRW-UHFFFAOYSA-N 276.605 3.848 0 40 CHAB Cc1cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c(C)o1 48806901 ANDJLDZPEMMQBI-UHFFFAOYSA-N 293.706 3.500 0 40 CHAB c1ccc2c(c1)cc([C@@H]1CCCCN1)n2CC1CC1 95098034 VLSQNHQZSUHOKK-HNNXBMFYSA-N 254.377 3.866 0 40 CHAB c1cc(CN2CCC3(CCCN3CC3CC3)CC2)cs1 96049294 UQKVOKVVVSHLBA-UHFFFAOYSA-N 290.476 3.589 0 40 CHAB FC(F)(F)[C@@H](Cc1ccncc1)NC[C@@H]1CC=CCC1 96476734 JTXOERXOJMBTDM-ZIAGYGMSSA-N 284.325 3.501 0 40 CHAB C[C@H](c1nc(C2CC2)no1)N(C)Cc1ccc(Cl)cc1 51454005 UJWNTHVLTRLMTA-SNVBAGLBSA-N 291.782 3.793 0 40 CHAB CCCn1cc(NCc2ccc(OCC)cc2)c(C)n1 256053073 PVVXXUKNYVJQOJ-UHFFFAOYSA-N 273.380 3.612 0 40 CHAB CC[C@H](C(=O)O)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260616157 GATFTHUXNHOUOE-ZWNOBZJWSA-N 279.355 3.781 0 40 CHAB COc1cc(C(=O)CCCCCl)ccc1Cl 382682682 CCWIRFJWAVLRQH-UHFFFAOYSA-N 261.148 3.940 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC(c2cccs2)CC1 75157186 JCRFQKBRLYMQNA-AWEZNQCLSA-N 275.417 3.810 0 40 CHAB Cc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1C 514771006 VQXNRAPDFMUKSG-UHFFFAOYSA-N 279.347 3.522 0 40 CHAB O=C(CSc1ccc(F)cc1)Nc1ccccc1 3598226 QGZMJOULHUINCT-UHFFFAOYSA-N 261.321 3.557 0 40 CHAB Cc1c(Cl)c(Br)cc2sc(N)nc12 22121827 BOFRNUZPKIUZJB-UHFFFAOYSA-N 277.574 3.603 0 40 CHAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccc(C)cc1 11951774 JHMWLEHBRVHBTP-CSKARUKUSA-N 298.338 3.680 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ncoc1-c1cccs1 12239821 KNKTVEORODSLJB-GHMZBOCLSA-N 290.388 3.712 0 40 CHAB C=CCOc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 16406592 AIQAPMFYEZKTGX-UHFFFAOYSA-N 290.318 3.714 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1[C@H](C)CCC[C@H]1C 17009334 MOAYJGSEGKYGEV-CHWSQXEVSA-N 284.403 3.922 0 40 CHAB N[C@H](c1cccs1)c1ccccc1Br 19841944 PFZWSTXOJJELPA-NSHDSACASA-N 268.179 3.559 0 40 CHAB CCOC(=O)[C@H]1CC(=O)c2ccccc2[C@H]1c1ccccc1 1685571 LAKGJAYWSVCIGK-FUHWJXTLSA-N 294.350 3.584 0 40 CHAB CC(C)c1nccc(N2[C@H]3CC[C@H]2CC(=C2CC2)C3)n1 1888834176 VZFCOVXAGUWLIJ-GJZGRUSLSA-N 269.392 3.822 0 40 CHAB CC(C)CC(=O)Nc1cccc(OCc2ccccn2)c1 31456103 OPHUTEADLFQZSX-UHFFFAOYSA-N 284.359 3.645 0 40 CHAB COc1ccccc1NC(=S)N1CCCc2ccccc21 13572776 ZAHZALWJLXFNRZ-UHFFFAOYSA-N 298.411 3.845 0 40 CHAB Cc1ccc2c(c1)[C@]1(C)[C@@H](C(C)(C)N2C=O)C1(Cl)Cl 2357015 SSDADYGJWYQFQE-TZMCWYRMSA-N 298.213 3.811 0 40 CHAB Cc1nc(-c2ccccc2NC(=O)CCC2CCCC2)no1 40527749 RKDLAORCWTWKSX-UHFFFAOYSA-N 299.374 3.954 0 40 CHAB O=C(c1ccccc1)c1ccc(CN2CCCCC2)cc1 2514489 SBKBEDMRMXTWFQ-UHFFFAOYSA-N 279.383 3.904 0 40 CHAB COc1ccc(-c2csc(-c3ccncc3)n2)cc1 171859 SKHJXKHKCQDSOX-UHFFFAOYSA-N 268.341 3.881 0 40 CHAB CCNC(=O)c1ccc(-c2nc3ccccc3s2)s1 540349 ZBMYBCFDGJKSSP-UHFFFAOYSA-N 288.397 3.775 0 40 CHAB O[C@H](c1ccccc1)[C@@H](CN1CCCC1)c1ccccc1 346117 PVXJJESJYYEWMJ-RBUKOAKNSA-N 281.399 3.600 0 40 CHAB C[C@@H]1CCCCCC[C@@H]1OC(=O)c1ccccc1C(=O)O 1707469 LVNFNHCIECVTQR-DOMZBBRYSA-N 290.359 3.901 0 40 CHAB CC1=C[C@H](C)[C@@H](CN2CCO[C@@H]2C(C)C)[C@H](C)C1 2296810 ZINAYKAEPVIUEM-ZJIFWQFVSA-N 251.414 3.539 0 40 CHAB CN1CC[C@H](C[C@@](O)(c2ccccc2)C2CCCCC2)C1 4537366 NZBBMMXOZYOFPC-VQIMIIECSA-N 287.447 3.796 0 40 CHAB FC(F)(F)[C@@H]1C[C@@H](c2ccccc2)Nc2ccnn21 100774108 RKHNOQLBCDXICF-QWRGUYRKSA-N 267.254 3.543 0 40 CHAB C[C@@H](NC(=S)NCCCc1ccccc1)c1ccccc1 8266265 GTYPZCAMQZTTKD-OAHLLOKOSA-N 298.455 3.845 0 40 CHAB Cc1nnc(SCc2ccc(Cl)cc2)s1 2752894 MAPRJLDQEWNIMC-UHFFFAOYSA-N 256.783 3.792 0 40 CHAB Cc1cc2nc(-c3cc(N)c(C)c(N)c3)oc2cc1C 8703367 XUBBQFYFEUBFJB-UHFFFAOYSA-N 267.332 3.584 0 40 CHAB Cc1ccc2oc(C(=O)NCCC3=CCCCC3)cc2n1 8793778 WXIFJDHGOKYRJU-UHFFFAOYSA-N 284.359 3.757 0 40 CHAB Cc1ccc2c(c1)[nH]c1c(N3CCC[C@@H](C)C3)ncnc12 545552 KNYMODYJDICWPD-GFCCVEGCSA-N 280.375 3.656 0 40 CHAB C[C@H]1CCc2onc(-c3nnc(-c4ccccc4)o3)c2C1 2803648 JCVJBNHCIDXFTQ-JTQLQIEISA-N 281.315 3.516 0 40 CHAB COc1cc2ccccc2cc1C(=O)Nc1cccc(N)c1 57340148 FIKCXBVIEOOPKD-UHFFFAOYSA-N 292.338 3.683 0 40 CHAB O=C(COc1cccc2cccnc12)c1ccc(F)cc1 993093 VLLBDSPIWQEKTL-UHFFFAOYSA-N 281.286 3.636 0 40 CHAB CCN(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1C 105646977 LPYYFQXISCWLHN-KKUMJFAQSA-N 288.460 3.884 0 40 CHAB Cc1ccc2nc(NC(=O)CCc3cccnc3)sc2c1 12543675 DVBLULGXMSPXFD-UHFFFAOYSA-N 297.383 3.571 0 40 CHAB C[C@H]1Cc2ccccc2N1c1ncnc2ccsc12 12537042 SLIFXTIGVMIAPO-JTQLQIEISA-N 267.357 3.774 0 40 CHAB Cc1ccc([C@@H]2C3=C(O)C[C@@H](C)CC3=Nc3ncnn32)cc1 102602513 ONNDERDSODQIFB-MEDUHNTESA-N 294.358 3.504 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2cc3c(F)cccc3[nH]2)o1 44011994 WELSODBVVRDNBZ-SNVBAGLBSA-N 286.306 3.699 0 40 CHAB COc1c(OC)c(OC)c2c(c1OC)[C@@H]1C=C(C)[C@@H]2CC1 101037152 QUBYQAXBMQWBNX-QWRGUYRKSA-N 290.359 3.642 0 40 CHAB O=C(Nc1cccnc1)N(Cc1ccco1)Cc1ccco1 44889527 GQCWXPRLNNLFKH-UHFFFAOYSA-N 297.314 3.502 0 40 CHAB Cc1cc(NC(=O)N(Cc2ccco2)C2CCCC2)no1 58376923 UTPPHEAITGGBCA-UHFFFAOYSA-N 289.335 3.553 0 40 CHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(C)o2)cc1 48345216 XIPQRBZHTKVCJH-AWEZNQCLSA-N 299.370 3.737 0 40 CHAB O=C(Nc1ccc2oc3ccccc3c2c1)[C@H]1CCCO1 9154055 QVAFPDUWPAYONX-MRXNPFEDSA-N 281.311 3.704 0 40 CHAB Brc1ccc(CNCc2cccs2)cc1 4657500 CQRMPPYXHRNRII-UHFFFAOYSA-N 282.206 3.800 0 40 CHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 5673486 PFVULAAGJUGAHK-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB Oc1ccc(-c2csc(NCc3ccccc3)n2)c(O)c1 6787992 PBYTYQVOPNPPRS-UHFFFAOYSA-N 298.367 3.833 0 40 CHAB OC[C@H]1CCCN(C2CCCCC2)[C@H]1c1ccccc1 5775450 OSJBIUWOUITRHG-AEFFLSMTSA-N 273.420 3.765 0 40 CHAB COc1cccc(-c2nc(Cl)n(-c3ccccc3)n2)c1 22125192 INMGDYUAXPWGFC-UHFFFAOYSA-N 285.734 3.596 0 40 CHAB CCCc1cc(C(=O)Nc2cccnc2)sc1C 15096898 IVEUNEJGAZFTSP-UHFFFAOYSA-N 260.362 3.656 0 40 CHAB CCCCCCNc1ccc(OCCOC)cc1 19738277 JRFLIOSELKNDJV-UHFFFAOYSA-N 251.370 3.704 0 40 CHAB CCCCOc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 20244031 WUEQDDSSBIHRJN-KRWDZBQOSA-N 296.370 3.720 0 40 CHAB c1ccc(C[C@H]2CCCCN2Cc2nnc(C3CC3)o2)cc1 69528539 NOGRBKPHZLJTAB-MRXNPFEDSA-N 297.402 3.544 0 40 CHAB Fc1ccc(Cn2ccc(-c3ccc(F)cc3)n2)cc1 72079562 AJKJGAVICUWYIU-UHFFFAOYSA-N 270.282 3.877 0 40 CHAB Cc1ccc([C@H](C)NCCC(=O)Nc2ccccc2C)o1 97111290 RFTWKCWWIXIVSH-AWEZNQCLSA-N 286.375 3.576 0 40 CHAB C[C@H](NC(=O)[C@H](C)n1cccc1)c1ccc2c(c1)CCCC2 84651747 HXJOEFGEJXEJBG-GJZGRUSLSA-N 296.414 3.805 0 40 CHAB Clc1cc(I)c(Cl)s1 38538309 DPXGPXPLIDOIPQ-UHFFFAOYSA-N 278.929 3.660 0 40 CHAB COC(=O)C[C@H](C)SCc1ncc(-c2cccs2)o1 79358948 KKAUYFANVRWPKH-VIFPVBQESA-N 297.401 3.588 0 40 CHAB COc1ccc2sc(NCc3ccco3)nc2c1 61968142 WCRQESUVTZUMBW-UHFFFAOYSA-N 260.318 3.510 0 40 CHAB CNC(=O)c1sc2cc(Cl)ccc2c1Cl 39294407 KCEMMAAKWTUCKF-UHFFFAOYSA-N 260.145 3.568 0 40 CHAB CC(C)(C)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 216923005 RIWYBYYBNIRDGY-UHFFFAOYSA-N 293.370 3.626 0 40 CHAB Cc1ccc([C@@H](C)NC(=S)Nc2ccncc2)c(C)c1 225479301 RKZSIBGFUJJZEW-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB Cc1ncccc1C(=O)N1C[C@@H](C)Sc2ccccc21 88222867 ABOPEQCEPOWSHN-LLVKDONJSA-N 284.384 3.531 0 40 CHAB CC(C)c1ocnc1C(=O)N1CCC2(CCCCC2)C1 89891179 QBFWUJXFYCRTQP-UHFFFAOYSA-N 276.380 3.594 0 40 CHAB C[C@@H]1CC(C)(C)N(CC(=O)O)c2ccc(Cl)cc21 223186346 ZOOLIGOYUNVTAH-SECBINFHSA-N 267.756 3.517 0 40 CHAB Cc1ccc(CCC(=O)N2CCc3ccccc3C2)cc1C 96621671 HTCXVJHMTHMHHR-UHFFFAOYSA-N 293.410 3.821 0 40 CHAB c1ccc2oc(-c3ccnc4nc(C5CCC5)nn34)cc2c1 96345326 QMWFQOWEGSIZSP-UHFFFAOYSA-N 290.326 3.805 0 40 CHAB Cc1cc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)ccc1Cl 95634123 IXJPMLMGPPJUGB-NEPJUHHUSA-N 280.751 3.722 0 40 CHAB CC(C)COc1cc(F)cc(C(=O)C(F)(F)F)c1 95732804 QUZZIHUBKLWWCO-UHFFFAOYSA-N 264.218 3.606 0 40 CHAB COC(=O)[C@@H](C)c1cc(Oc2ccccc2)ccc1F 96171908 VKNLUTWKDOKSCK-NSHDSACASA-N 274.291 3.895 0 40 CHAB Cc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1 5021758 XCFXJPRTWFSKJI-QINSGFPZSA-N 288.350 3.649 0 40 CHAB CCCCOC(=O)OCCCC(F)(F)C(F)(F)F 169795767 XQPGWBVRHYZTQR-UHFFFAOYSA-N 278.217 3.918 0 40 CHAB COc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 151889413 HSGWRRUKBULVBZ-UHFFFAOYSA-N 275.735 3.625 0 40 CHAB COc1ccc([C@@H](O)Cc2ccc(Cl)cc2)cc1 1712785 JWSSKOBICRDDNW-HNNXBMFYSA-N 262.736 3.625 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(F)cc1 6215209 GHUVJKZLZPGCFD-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB C[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(F)cc1 3614465 OZQYGEDKORTRDY-WHGQRRHOSA-N 269.319 3.716 0 40 CHAB c1ccc(-c2ccc(CO[C@H]3CCCNC3)cc2)cc1 14631601 WOZOVXZTEIVCSJ-SFHVURJKSA-N 267.372 3.622 0 40 CHAB in-vitro C1C2CC3CC1CC(c1nnc(C4CC4)n1C1CC1)(C2)C3 29044112 HLEZHQNJCIUVRS-UHFFFAOYSA-N 283.419 3.958 0 40 CHAB C[C@H]1CCc2c(sc3c2[C@@H](c2cccnc2)CC(=O)N3)C1 15085270 NVIIEWXQZKANPW-GXFFZTMASA-N 298.411 3.742 0 40 CHAB CCCCCCc1ccc(C(=O)COC(C)=O)cc1 575357559 QTBGJIFOYUJDGP-UHFFFAOYSA-N 262.349 3.555 0 40 CHAB Cc1cccc(C(=O)Nc2c(C)cc(O)cc2C)c1 3076011 APSWIXOHQZNDRL-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB Cc1nnc(SCC(=O)C(C)(C)C)n1C1CCCCC1 40456792 BJOSFORWVUZCTR-UHFFFAOYSA-N 295.452 3.799 0 40 CHAB COc1ccc2[nH]c(C)c(CCNCC(C)(C)C)c2c1 2513405 LVTZNXQBBDVXLD-UHFFFAOYSA-N 274.408 3.663 0 40 CHAB CCCC[C@H](NC(C)=O)c1nc2ccccc2n1CCC 1926999 OMHVHODOCYNCCQ-HNNXBMFYSA-N 287.407 3.814 0 40 CHAB CCOc1ccc2nc(-c3ccc(N)cc3)sc2c1 3185350 LEOZQOJMMLSBDY-UHFFFAOYSA-N 270.357 3.944 0 40 CHAB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1ccc(O)cc1)N2 4458723 CZFHEXWDCUTIMN-GOSISDBHSA-N 291.354 3.845 0 40 CHAB COCCNc1nc(C23CC4CC(CC(C4)C2)C3)cs1 7843658 FGGCIYBNDJGBRT-UHFFFAOYSA-N 292.448 3.669 0 40 CHAB O=C(O)C/C(=C/c1cccc(F)c1)c1nc2ccccc2o1 22024850 XWVOOIVEEGQZLD-WQLSENKSSA-N 297.285 3.982 0 40 CHAB CSc1ccc(NC(=O)Cc2noc3ccccc23)cc1 8049530 IYQMFGHOMZQDSV-UHFFFAOYSA-N 298.367 3.731 0 40 CHAB Nc1nccc(-c2cc3c(ccc4ccccc43)o2)n1 1399312 VZGJEXPSHNWALT-UHFFFAOYSA-N 261.284 3.625 0 40 CHAB CN(C)C(=O)c1ccc(-c2nc3ccccc3s2)cc1 59842888 LTHAFULXCTUOOT-UHFFFAOYSA-N 282.368 3.665 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCc2[nH]c3ccc(F)cc3c2C1 25528789 HUHYVFWDPGDYTI-GFCCVEGCSA-N 298.361 3.548 0 40 CHAB CCn1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)n1 27929919 YVOTUCHJLSCWTK-UHFFFAOYSA-N 277.412 3.694 0 40 CHAB Cc1cccnc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 12521801 RKIPGLYZJQTGAE-UHFFFAOYSA-N 285.734 3.777 0 40 CHAB Cc1ccc2nc(-c3ccc(N)cc3Cl)[nH]c2c1 20156952 GNYHCAMCDZTJGD-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB Cc1nc(-c2cccc(NCc3ccc(C)s3)c2)n[nH]1 37781687 YIGFTAZZWFQHAH-UHFFFAOYSA-N 284.388 3.762 0 40 CHAB O=C(Nc1cnccc1Oc1ccccc1)c1ccccn1 58394265 LSANUTOELFQNHR-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB Cc1ccc(C(=O)Nc2cc(Cl)cc3cccnc23)cn1 12980570 YXDHOCHYPZROMV-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB CCCCCn1c([C@@H]2CCCN2C(C)=O)nc2ccccc21 21524478 LEOAZOJPBVCGIV-KRWDZBQOSA-N 299.418 3.910 0 40 CHAB COc1ccc(CNc2nc(C)nc3sc(C)cc23)cc1 28162881 ZKOGPZPLEHBKMW-UHFFFAOYSA-N 299.399 3.929 0 40 CHAB COc1ccc(Cn2c(-c3ccccc3)cccc2=O)cc1 4041254 AFLHLELCGQXAFK-UHFFFAOYSA-N 291.350 3.572 0 40 CHAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 7386116 SGGPQDFATTWKIN-XQQFMLRXSA-N 294.826 3.645 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(Br)cc1Cl 8936975 OVAKIUASEIQGMM-XPUUQOCRSA-N 288.572 3.697 0 40 CHAB COc1ccc([C@@H](N)c2ccc(C(F)(F)F)cc2)cc1 19476465 YQCQSGAABUDZAD-AWEZNQCLSA-N 281.277 3.762 0 40 CHAB in-vitro CCc1cccc(C)c1NC(=O)CCc1ccco1 9252686 JCVAPFWTPBJVIE-UHFFFAOYSA-N 257.333 3.722 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 20460742 AUGOFRBQKFFNDS-CVEARBPZSA-N 297.398 3.948 0 40 CHAB C[C@@H](NC(=O)C1CCCC1)c1nc(C(C)(C)C)cs1 71882935 UFCJXEFLSSWAAA-SNVBAGLBSA-N 280.437 3.808 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(Oc2cccnc2)nc1 89877862 RWZYMWDPXQOEQY-CYBMUJFWSA-N 295.342 3.564 0 40 CHAB COc1c(C)c(OC)c(C(=O)CC(C)C)c(OC)c1C 1730929 PYUCCSKQLHUKCA-UHFFFAOYSA-N 280.364 3.558 0 40 CHAB biogenic S=C(Nc1ccccc1)C(=S)Nc1ccccc1 3274082 MGSYJQOVDPNHSC-UHFFFAOYSA-N 272.398 3.865 0 40 CHAB biogenic CCCCN1CCCC[C@@H]1c1cccnc1NC1CC1 72213742 SAGIRACAGZQNDB-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB CC[C@H](Nc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C 72207614 ZMQWDSNVWJAVAT-JSGCOSHPSA-N 278.396 3.790 0 40 CHAB CC(=O)N1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214113 HXRPPAMOXYUUBS-KRWDZBQOSA-N 295.386 3.899 0 40 CHAB COc1ccc2cc([C@H](O)c3ccsc3)ccc2c1 49956081 DUUBOLPJYZFDFQ-INIZCTEOSA-N 270.353 3.992 0 40 CHAB Cc1ccc(C)c(Nc2ccc(N)cc2C(=O)NC(C)C)c1 225465021 KNWYXBRRWPXXDU-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB CN(C)c1ncc(C(F)(F)F)cc1-c1ccc(C=O)cc1 91695376 VRJRQWYAVBTCRB-UHFFFAOYSA-N 294.276 3.646 0 40 CHAB Nc1ccccc1[C@H](O)CCc1cccc(Cl)c1 242648530 QYGLCKOXODUVFQ-OAHLLOKOSA-N 261.752 3.588 0 40 CHAB Cc1nccn1Cc1ccc(-c2ccccc2C(=O)O)cc1 257293346 QPCKJTKGHWGLIR-UHFFFAOYSA-N 292.338 3.605 0 40 CHAB CCCC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(C)=O 257266671 MDZLUDYVSYUIQQ-XSDHEKCYSA-N 293.451 3.523 0 40 CHAB CC(C)(C)C(=O)N1CCS[C@H](c2cccs2)CC1 219471489 NFSXVXKIQHDSLB-LBPRGKRZSA-N 283.462 3.801 0 40 CHAB NCc1cc(-c2ccccc2)c(C(F)(F)F)s1 16158432 ZOHCUDFCDXHXKZ-UHFFFAOYSA-N 257.280 3.893 0 40 CHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)C(C)C)[C@H]3CCC1 12462600 MSWBZZSMICJBEZ-KRWDZBQOSA-N 296.414 3.825 0 40 CHAB NC(=O)[C@@H](SCc1ccc(Cl)cc1)c1ccccc1 14079650 BKNOCQRALQSVTE-AWEZNQCLSA-N 291.803 3.800 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@@]12C[C@@H]2c1ccccc1 16607553 ABGBAHFQEQUBSI-AEFFLSMTSA-N 276.339 3.583 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1 12340122 ZGDJKBIGXVLSEZ-LLVKDONJSA-N 272.373 3.899 0 40 CHAB Nc1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1 38040267 TVINDEPPMFUWBQ-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB O=S(=O)(Nc1cccc2ccccc12)c1cccs1 156173 QWMMZMCPCHWSCU-UHFFFAOYSA-N 289.381 3.702 0 40 CHAB O=C(CC1CCCCC1)Nc1cccc(Cn2cccn2)c1 32467119 BSRFEKOWFUQNFG-UHFFFAOYSA-N 297.402 3.840 0 40 CHAB CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(C)nc21 20603981 PMZDALLIRGMKPO-SSDOTTSWSA-N 299.346 3.671 0 40 CHAB COc1cccc(CCC(=O)c2ccc(C)cc2)c1 2516493 LCNRFEJSZXRMAX-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB Cc1cc(C)c(C)c(OCc2nc(-c3ccccn3)no2)c1 199804 KUVIUZSCRZDCIE-UHFFFAOYSA-N 295.342 3.636 0 40 CHAB Nc1c(-c2cccc(Cl)c2)cnn1-c1ccccc1 2508433 BHBGGHCMFRKDHY-UHFFFAOYSA-N 269.735 3.775 0 40 CHAB CC[C@H]1CCCCN1c1ccc(Br)cc1N 37082974 ZCCQPLLXUHHISP-NSHDSACASA-N 283.213 3.800 0 40 CHAB C[C@H]1OC(c2ccccc2)(c2ccccc2)O[C@@H]1C 378188 LSSAXVFWCRKZIZ-ZIAGYGMSSA-N 254.329 3.712 0 40 CHAB O=C(c1ccccc1)[C@@H]1CCCN(CCc2ccccc2)C1 1585572 ZONSOLSUMGWIOY-LJQANCHMSA-N 293.410 3.824 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1cccc(OC(F)F)c1 375185 SOPVORMBEAEBNC-UHFFFAOYSA-N 295.260 3.988 0 40 CHAB O=C1[C@@H]2CCC[C@H]2C1(c1ccccc1)c1ccccc1 4722063 LZRARGDGJOHTHL-IAGOWNOFSA-N 262.352 3.972 0 40 CHAB COC[C@H](C)Nc1nc(-c2ccc(C)c(C)c2)cs1 6671142 SKYNFNLFIOJTDJ-LBPRGKRZSA-N 276.405 3.874 0 40 CHAB Cc1cnc(NC(=O)COc2ccccc2C(C)C)s1 7800723 TVQAFPOHHHYSLU-UHFFFAOYSA-N 290.388 3.592 0 40 CHAB O=C(Nc1cccc(F)c1)c1ccc2cc[nH]c2c1 33244763 SAQZUCKRKWYTKS-UHFFFAOYSA-N 254.264 3.559 0 40 CHAB COc1ccc(NC(=O)c2ccc(Cl)o2)c(C)c1 171305278 NBTJJEJURWVJNV-UHFFFAOYSA-N 265.696 3.502 0 40 CHAB CC(C)n1ccc(-c2cccc(-c3cnccn3)c2)n1 23543993 DHSTYGGRJFAXKC-UHFFFAOYSA-N 264.332 3.588 0 40 CHAB Cc1ccccc1-c1noc(-c2cccnc2Cl)n1 22120245 QHKGLMULVOGYTJ-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB CCN(CC)C(=O)O[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 104385790 IAXGAHCTCBLTDE-LALPHHSUSA-N 253.386 3.680 0 40 CHAB Cc1nc(/C=C/C(=O)N(C)[C@@H](C)c2ccccc2)cs1 10035615 CNALMXFAMHWZOD-VMPCVLLUSA-N 286.400 3.684 0 40 CHAB CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)cc1 3337084 JOFBAIYXQVOHDR-MFKMUULPSA-N 286.400 3.967 0 40 CHAB CC(C)CC[C@H](CC(=O)O)[C@H]1CCOC(C)(C)C1 2159731 CGFDHQZQOJIQDO-OLZOCXBDSA-N 256.386 3.719 0 40 CHAB biogenic CC(C)(C)NC(=O)c1cc2cc(Br)ccc2o1 28250055 OGDAMGWBMLGQCG-UHFFFAOYSA-N 296.164 3.724 0 40 CHAB Oc1ccc(-c2nccc(-c3cccs3)n2)cc1 13125631 DXGRYMLAIPDOCN-UHFFFAOYSA-N 254.314 3.578 0 40 CHAB O=C(Nc1ccc(F)cc1)Nc1ccc2cc[nH]c2c1 13331121 UORRNFKBGDWMIZ-UHFFFAOYSA-N 269.279 3.951 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2cc(C)c(C)s2)o1 39975819 SSORRIABWNYNLD-JTQLQIEISA-N 263.362 3.757 0 40 CHAB Cc1nc(-c2cccc(NC(=O)c3ccccn3)c2)cs1 14095992 DBXUXNRPEWOGPF-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(C)n2)cc1 14171387 RHPXODZIZRKOPR-NSHDSACASA-N 288.416 3.576 0 40 CHAB CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2F)s1 4696343 VQEWBGRFFQASLX-SECBINFHSA-N 293.367 3.833 0 40 CHAB Cc1cccc(NC(=O)N[C@H](C)CCc2ccc(O)cc2)c1 8852208 CNVAZELWYSZDNO-CQSZACIVSA-N 298.386 3.843 0 40 CHAB CCc1nnc(SCc2ccc(Cl)cc2)o1 7605085 WQOWKSCDNUEGOI-UHFFFAOYSA-N 254.742 3.578 0 40 CHAB Cc1cc(Br)ccc1NC(=O)CC(F)(F)F 19483742 OGXAPFQTUHZHQH-UHFFFAOYSA-N 296.086 3.648 0 40 CHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1Cc2ccccc2O1 7947341 PUKAGBOOACMWKM-HNNXBMFYSA-N 287.746 3.591 0 40 CHAB C[C@@H]1CCCC[C@@H]1Nc1cccc(N2CCOCC2)c1 95360920 RZFNJOKDWRMMOI-PBHICJAKSA-N 274.408 3.514 0 40 CHAB COc1ccc2c(c1)CCCCN2C(=O)c1ccsc1 95451987 VONLIZUIXWFDCN-UHFFFAOYSA-N 287.384 3.740 0 40 CHAB CC[C@H](C)OCc1nn(CC(C)C)cc1Br 408716236 KGZXEBFGYVGGMA-JTQLQIEISA-N 289.217 3.617 0 40 CHAB Cc1ccc(C(=O)c2ccc(F)cc2F)cc1F 37354659 ODAYAWAVLNPREE-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Cc1ccc(NC(=O)Cc2ccccc2)c2cccnc12 31091819 KZWGVYKJCPOMLE-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB Cc1cc(N)ncc1[C@@H]1CCCCN1Cc1ccccc1 72218526 LXFACAOXDJECOJ-KRWDZBQOSA-N 281.403 3.699 0 40 CHAB CCCN1CCC[C@@H]1c1cccnc1NC1CCC1 72213899 JNEGTBDEUGWAEC-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB CCCC(=O)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79501999 CDYBNXPHWSDYDR-UHFFFAOYSA-N 297.314 3.562 0 40 CHAB Cc1ccc(Oc2ccc(N(C)C(=O)CC(C)C)cc2)nn1 38670805 HMLBVGDHOBMBRI-UHFFFAOYSA-N 299.374 3.586 0 40 CHAB C[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 32779885 GLANUJZDWUSLJY-JTQLQIEISA-N 276.767 3.836 0 40 CHAB O=C(COc1ccccc1)NCc1ccc2ccccc2c1 45201221 MOOSSLBKJAGZFS-UHFFFAOYSA-N 291.350 3.535 0 40 CHAB O[C@]1(C(F)(F)F)CCCc2ccc(Br)cc21 222270714 JOHJSZNJDLIQQH-SNVBAGLBSA-N 295.098 3.535 0 40 CHAB Brc1cccnc1SCc1ccccn1 98010594 SEUIJBAWAMGGIT-UHFFFAOYSA-N 281.178 3.531 0 40 CHAB Cc1cc(C)cc(-n2ccnc2SCc2cncn2C)c1 72312949 RUPULTMLQVAKOL-UHFFFAOYSA-N 298.415 3.515 0 40 CHAB C[C@@H]1CCCN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C1 1019856 UIMQZAVFCDNWAF-FOGDFJRCSA-N 290.234 3.836 0 40 CHAB CCc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 3210009 NHPRWOQVTHOZLX-LFIBNONCSA-N 295.313 3.733 0 40 CHAB O=C(Cc1cccs1)c1ccc(Cl)c(F)c1 236169212 XTUWHSHCOSZMDA-UHFFFAOYSA-N 254.713 3.966 0 40 CHAB CCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12 14260634 BZGXYKOJWKZWLG-UHFFFAOYSA-N 295.342 3.654 0 40 CHAB Cc1ccoc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 33214735 UUUDDNYXDLEUPY-UHFFFAOYSA-N 282.299 3.859 0 40 CHAB CC(C)(C)OC(=O)N[C@@H](CC1CCCCCCC1)C(=O)O 44294822 YCDKRFRIIKNPNR-ZDUSSCGKSA-N 299.411 3.715 0 40 CHAB c1ccc2c(c1)CCC[C@@H]2Sc1nnc2ccccn12 40114213 PEPLYFUXSYUTDX-AWEZNQCLSA-N 281.384 3.899 0 40 CHAB O=C(c1ccc(-c2ccccc2)cc1)N1CCSC1=S 30819565 AQLGZHRGMKLIOG-UHFFFAOYSA-N 299.420 3.828 0 40 CHAB Cc1ccccc1NC(=O)N(Cc1ccccn1)C1CC1 40525327 HQCKGMZVZMBQAC-UHFFFAOYSA-N 281.359 3.587 0 40 CHAB O=C(N[C@@H](c1cccs1)C1CCCC1)C1CCOCC1 32396856 WXLQMTCFOICVMW-OAHLLOKOSA-N 293.432 3.522 0 40 CHAB O=C(c1cccs1)c1ccccc1C(=O)N1CCCCC1 29483942 YFKRIWYXTOBYPJ-UHFFFAOYSA-N 299.395 3.605 0 40 CHAB CC(=O)C(C(C)=O)[C@@H](c1ccccc1)c1ccc(F)cc1 378235 SMOWHTNEIJQNDO-SFHVURJKSA-N 284.330 3.752 0 40 CHAB COc1ccc(C2([C@@H]3NCCC4=C3CCCC4)CC2)cc1 1611777 OKPBMVNJXZSMGO-GOSISDBHSA-N 283.415 3.959 0 40 CHAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N(Cc1ccco1)C1CCCC1 102396774 CQXMMZYMZVYKFQ-ZQIUZPCESA-N 285.387 3.763 0 40 CHAB CCCC(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 4901439 YGEAPENHOQXEJL-UHFFFAOYSA-N 279.343 3.969 0 40 CHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)cc1 32819431 VCGFGWGKLKFVIE-NVXWUHKLSA-N 285.387 3.715 0 40 CHAB Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccccc1O 84077385 RDCGIALZODXCRF-UHFFFAOYSA-N 299.370 3.711 0 40 CHAB C[C@@H]1CC(=O)N(Cc2ccc(F)cc2)c2ccccc2N1 21793459 NHNPVMFNGOHCNJ-GFCCVEGCSA-N 284.334 3.563 0 40 CHAB COc1cc(C)ccc1OCc1nc2ccccc2nc1C 32957864 LETIFQNYODQWIA-UHFFFAOYSA-N 294.354 3.834 0 40 CHAB O=C(NC1CCCCCC1)[C@@H]1C[C@@H]1c1ccccc1 1480360 LPWHOULVAUYTTM-HZPDHXFCSA-N 257.377 3.629 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)nc1 20407231 UXJUXPCGEQGGRD-UHFFFAOYSA-N 267.332 3.523 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2cccc(C(=O)O)c2C)c1 20138802 ZCMBJFAEWTZGQU-UHFFFAOYSA-N 283.327 3.562 0 40 CHAB CC(C)Oc1ccc(CNC[C@H]2CCOC(C)(C)C2)cc1 2111107 PHZSWIQAUOSQOI-INIZCTEOSA-N 291.435 3.769 0 40 CHAB biogenic Cc1c([C@@H]2[C@@H](CCN)C2(C)C)c2ccccc2n1C 2111439 CSWYSAZUCZBEDB-CJNGLKHVSA-N 256.393 3.575 0 40 CHAB biogenic Cc1ccc(C)c(NC(=O)[C@H](NC(C)C)c2ccccc2)c1 3413934 HKEUSTHPWBAXDQ-GOSISDBHSA-N 296.414 3.981 0 40 CHAB COC(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 17024593 VYMQOWPVZHDEOK-CQSZACIVSA-N 298.382 3.953 0 40 CHAB Cc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2ncnn21 13131662 POGWTRRCYJWWKQ-IRXDYDNUSA-N 290.370 3.733 0 40 CHAB aggregator NC(=O)[C@H](Sc1cccc2cccnc12)c1ccccc1 69737891 ZAVDHSSVQKIIJM-MRXNPFEDSA-N 294.379 3.554 0 40 CHAB Cc1csc(N(C(=O)c2ccccn2)c2ccccc2)n1 6608740 QLDMGAQBYAWTBX-UHFFFAOYSA-N 295.367 3.825 0 40 CHAB Cc1cc(C)c2nc3sc(C(=O)O)cc3cc2c1 19568361 UYSGUMDGPPOZNK-UHFFFAOYSA-N 257.314 3.765 0 40 CHAB Cc1nc2ccccc2c(N2CCC[C@H](O)C2)c1C(C)C 96006345 CZEGFLZZHLTUKH-AWEZNQCLSA-N 284.403 3.628 0 40 CHAB Fc1ccc(-c2noc(-c3cccnc3Cl)n2)cc1 22120328 QLXIGMMZOYCPHV-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](CC)Oc1ccccc1Cl 20482507 KMVVOYVDWIYSSG-YPMHNXCESA-N 283.799 3.802 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C)c1 20050205 XABIMWGGQDYKDY-HNNXBMFYSA-N 297.398 3.641 0 40 CHAB Cc1ccc(N(C)C(=O)c2ccc3snnc3c2)cc1C 408992399 BAGFUPAZMKXJAA-UHFFFAOYSA-N 297.383 3.585 0 40 CHAB O=C(c1cccs1)c1ccccc1Br 36942572 UBIACPJPSJPEDB-UHFFFAOYSA-N 267.147 3.742 0 40 CHAB O=C(Cc1ccncc1)c1ccc(C(F)(F)F)cc1 36428728 CEWANWLDCMJIOR-UHFFFAOYSA-N 265.234 3.526 0 40 CHAB O=C(O)/C=C/c1ccc(NC(=S)Nc2ccccc2)cc1 216928994 YJPDQLQTVGLEGA-DHZHZOJOSA-N 298.367 3.593 0 40 CHAB CCCCSc1nnc(C)n1-c1ccc(C)cc1 75322545 XYIAFIYCTZTYHN-UHFFFAOYSA-N 261.394 3.776 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)C1CCCCC1 30864050 NUWYPKYYTUFURV-GFCCVEGCSA-N 295.810 3.898 0 40 CHAB CCOc1ncccc1[C@H]1CCCN1Cc1ccccc1 72211829 SMRHPFVMGLYGHO-QGZVFWFLSA-N 282.387 3.817 0 40 CHAB CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 48356596 HMQJBADNUYGQBJ-ZDUSSCGKSA-N 251.345 3.829 0 40 CHAB COc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223156860 VSWCLICJGLCQOV-CYBMUJFWSA-N 295.382 3.675 0 40 CHAB CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 85221491 WAKCEBZISBIMLL-UHFFFAOYSA-N 286.114 3.825 0 40 CHAB CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 499597584 CGOSYWJSYQNBMJ-ZJUUUORDSA-N 259.132 3.660 0 40 CHAB Cc1cccnc1NC(=S)N[C@@H]1CCCc2ccccc21 225462524 ZFPLEFCBWYDBOE-OAHLLOKOSA-N 297.427 3.754 0 40 CHAB CCOC(=O)/C(Cl)=C/c1ccc(C(C)C)cc1 85396899 IPIXLLFNRKSMMO-LCYFTJDESA-N 252.741 3.953 0 40 CHAB COc1cc(CO)c(Cl)cc1OCc1ccc(C)cc1 95095040 ZNKXRMGHLHGOJI-UHFFFAOYSA-N 292.762 3.728 0 40 CHAB Cc1ccc(C(=O)C(F)(F)C(F)(F)F)c(C)c1 95916823 HKCAWUSBUPUFQF-UHFFFAOYSA-N 252.182 3.684 0 40 CHAB Nc1ccccc1[C@@H](O)CCc1cccc(Cl)c1 242648529 QYGLCKOXODUVFQ-HNNXBMFYSA-N 261.752 3.588 0 40 CHAB CCCn1cc(NCc2cc(C3CC3)nn2C(C)C)cn1 256054851 YBCWRMMFRMLVQN-UHFFFAOYSA-N 287.411 3.560 0 40 CHAB CSc1cccc(C(=O)c2cc(F)cc(F)c2)c1 95917227 CDCNOUCXNKJYOQ-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB Cc1ccc(C(=O)Nc2cc(-c3cccs3)n[nH]2)s1 48751027 VAWYXZOKQSFKCY-UHFFFAOYSA-N 289.385 3.760 0 40 CHAB CCCN(CC(=O)N(C(C)C)C(C)C)Cc1ccccc1 58876399 ORZXJAKEZVBPJM-UHFFFAOYSA-N 290.451 3.544 0 40 CHAB CC(C)(C)[C@@H]1COC(c2ccccc2Br)=N1 98091799 NJQJYOLYDOCZGX-NSHDSACASA-N 282.181 3.641 0 40 CHAB COc1cc(CN2CCCC[C@@H]2C)ccc1OC(F)F 39985824 IGOJHVDSCRRAHG-NSHDSACASA-N 285.334 3.671 0 40 CHAB CCS[C@@H](C)C[C@H]1CC(=O)c2c(CC)noc2C1 5470435 RNANQWURTQNRTD-UWVGGRQHSA-N 267.394 3.514 0 40 CHAB CCc1cc(N)cc(Br)c1N1CCC(C)CC1 226315257 DYLBSOJDSZDNRL-UHFFFAOYSA-N 297.240 3.830 0 40 CHAB COc1cc(CNc2ccc(C)cc2C)ccc1O 19877342 LXWGFWYNYYXLQL-UHFFFAOYSA-N 257.333 3.630 0 40 CHAB Cc1cnc(NC(=O)c2ccc(C(F)(F)F)cc2)s1 6888505 XQNFFVBMAJBDSU-UHFFFAOYSA-N 286.278 3.723 0 40 CHAB C[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccccc1 32674524 OXWWRCCXQBUGQS-HNNXBMFYSA-N 293.410 3.985 0 40 CHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)cc1 1511966 QMELJOZDKQWMQC-UHFFFAOYSA-N 292.791 3.928 0 40 CHAB C[C@@]1(O)c2ccccc2[C@@](C)(O)c2c1ccc1ccccc21 1676940 GJODVXBHWDFIDL-WOJBJXKFSA-N 290.362 3.665 0 40 CHAB CCC[C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)C(=O)O 8732898 ARWICHUXJIMQGT-MNOVXSKESA-N 295.404 3.627 0 40 CHAB C[C@H](NC(=O)N(C)Cc1ccccc1)c1ccccc1F 40024115 QHFJHJTYKVFTNU-ZDUSSCGKSA-N 286.350 3.728 0 40 CHAB O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1O 2568865 VCDYVHGVQMIZSJ-UHFFFAOYSA-N 282.217 3.776 0 40 CHAB CC(C)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 1284258 QXDWUWURUMMPNK-UHFFFAOYSA-N 287.388 3.791 0 40 CHAB CC1(C)CC=C[C@H](COC(=O)c2ccccc2C(=O)O)C1 1700448 RVAKEMCKGXEJJX-LBPRGKRZSA-N 288.343 3.534 0 40 CHAB Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 3494334 YLNJWTUJGLADFA-UHFFFAOYSA-N 281.355 3.501 0 40 CHAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1C 7070497 BUAQWMRPTGKEMK-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB Fc1ccccc1NC(=S)NCc1ccccc1Cl 7571273 AMODGIHKZOUGEI-UHFFFAOYSA-N 294.782 3.966 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](CC)Oc1cc(C)ccc1C 22523410 VFQMNQCKDNZYRR-GJZGRUSLSA-N 277.408 3.766 0 40 CHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccccc3)[C@H]1[C@@H]2C 101832962 PLYQNNOXZOYWGG-VGAPYMQISA-N 272.388 3.585 0 40 CHAB COc1ccc(-c2csc(-n3nc(C)c(C)c3C)n2)cc1 1393582 KOAIYYFGKVSFML-UHFFFAOYSA-N 299.399 3.930 0 40 CHAB CC(=O)Nc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 25313241 HAKRYOXOWKFMBE-YVEFUNNKSA-N 298.386 3.651 0 40 CHAB C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccn1 36688746 HUWOOASXDKXDIQ-IWUURBKTSA-N 298.430 3.865 0 40 CHAB C[C@@H]1CCCN(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C1 13133070 UIMQZAVFCDNWAF-CKYFFXLPSA-N 290.234 3.836 0 40 CHAB COCc1nc(-c2cc(F)ccc2F)c(C)s1 69841668 MTCQEVYRAAIKNO-UHFFFAOYSA-N 255.289 3.543 0 40 CHAB CC[C@@H](C)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 4666370 PPXIKLMMTTXNLM-ZIAGYGMSSA-N 261.409 3.903 0 40 CHAB COc1c(-c2ccco2)oc2cc(C)c(C)cc2c1=O 5580536 WXDBWGLJCYTDKB-UHFFFAOYSA-N 270.284 3.678 0 40 CHAB Cc1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 6623260 YGOSNMWMOAZARO-UHFFFAOYSA-N 289.400 3.919 0 40 CHAB Cc1ccccc1-c1nn2c(-c3ccoc3C)nnc2s1 4938867 NTBPHKBDBKAJSE-UHFFFAOYSA-N 296.355 3.730 0 40 CHAB Cc1cccc(C)c1OCCn1ccnc1-c1cccnc1 67673842 YYTVSHQMBCQBLD-UHFFFAOYSA-N 293.370 3.641 0 40 CHAB CCc1cccc(C)c1NC(=O)CCc1c(C)noc1C 7400922 FOWBCQNZHYEMNA-UHFFFAOYSA-N 286.375 3.734 0 40 CHAB CCCC1(CCC)NC(=O)N(c2ccc(C)c(C)c2)N1 15867880 USJUVKRNIGJWGH-UHFFFAOYSA-N 275.396 3.634 0 40 CHAB CC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(F)c1 19871618 YYFAATLDUMTEMD-UHFFFAOYSA-N 274.247 3.549 0 40 CHAB CC1(C)CN(C(=O)OC(C)(C)C)c2ccccc2N1 72266383 DMUCCFLWWHRQHQ-UHFFFAOYSA-N 262.353 3.632 0 40 CHAB in-vitro FC(F)(F)c1ccnc(N2CCC[C@@H]2c2cccs2)n1 84437166 FNMUQLBESMWBIU-SECBINFHSA-N 299.321 3.898 0 40 CHAB O=C(NC1CCCCC1)N(Cc1ccccc1)CC(F)F 79068126 BIIIGNYQUCOSNU-UHFFFAOYSA-N 296.361 3.796 0 40 CHAB Cc1c([C@@H](C)N[C@@H](C)c2cnn(C)c2)oc2ccccc12 95420802 DZACUUNWAHCIER-QWHCGFSZSA-N 283.375 3.887 0 40 CHAB O=C(Nc1cccc(F)c1)N1CC[C@H]1c1ccccc1F 75103805 VWBNQBFFBYALNC-HNNXBMFYSA-N 288.297 3.944 0 40 CHAB Cc1c(C(=O)O)c2ccccc2n1Cc1cccc(F)c1 216946561 KTMOFVSUWADJJV-UHFFFAOYSA-N 283.302 3.835 0 40 CHAB C[C@H]1CCC[C@@H](C)N1CCCCOc1cccc(C=O)c1 217795021 DMMOKWRPHDEISO-IYBDPMFKSA-N 289.419 3.921 0 40 CHAB c1cnc(SC2CCCCC2)c([C@@H]2CCCN2)c1 72217283 BPHGKWNKMISGQG-AWEZNQCLSA-N 262.422 3.931 0 40 CHAB COc1cccc(NC(=O)c2ccc(-c3ccco3)o2)c1 72243277 YSIXBOBUWWIHJE-UHFFFAOYSA-N 283.283 3.801 0 40 CHAB FC(F)(F)Oc1ccccc1C[C@@H]1CCCCNC1 77293296 VMCUMPJCUKKCAZ-NSHDSACASA-N 273.298 3.517 0 40 CHAB in-vitro COc1ncc(-c2ccc(F)cc2)cc1C(F)(F)F 47206348 ZVKNAFIZWIAJSF-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB Cc1nc(C)c(-c2nnc(SC3CCCC3)o2)s1 84062519 RCFDFJFMQDBQAG-UHFFFAOYSA-N 281.406 3.845 0 40 CHAB CCCOc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 43209875 VCLOIJIZXANBOI-UHFFFAOYSA-N 298.338 3.632 0 40 CHAB COc1ccc(CC(=O)N[C@H](C)c2ccc(C)cc2)cc1C 223120394 YWFYUZUYVRVKHB-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB Oc1ccc(-c2ccc(F)cc2)c(C(F)(F)F)n1 47204641 CIVHXYQVYXMQKE-UHFFFAOYSA-N 257.186 3.612 0 40 CHAB CC[C@H](C)N1C(=O)CC[C@@H]1c1c(C)n(C)c2ccccc12 85430342 LTGOYYRQYNHPNS-BLLLJJGKSA-N 284.403 3.949 0 40 CHAB CCC[C@H](O)c1cccc(OC(F)(F)C(F)F)c1 95740155 GTQYJXKVWBMFFO-JTQLQIEISA-N 266.234 3.757 0 40 CHAB Cc1cnc(CNc2cnn(-c3ccccc3)c2C(C)C)o1 192758499 OTRKNMMNZSCWIB-UHFFFAOYSA-N 296.374 3.904 0 40 CHAB C[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 96026217 NZWWWQHUDNCALR-AWEZNQCLSA-N 257.377 3.797 0 40 CHAB FC(F)(F)C1(c2cc(Br)ccn2)CCC1 95629701 PZHJLEJYZOMDEI-UHFFFAOYSA-N 280.087 3.828 0 40 CHAB CCOC(=O)n1cc(Br)c2cc(F)ccc21 90471302 XUSPKFNHWSSXGC-UHFFFAOYSA-N 286.100 3.548 0 40 CHAB O=C1CCCc2c1cnn2-c1cc(Cl)cc(Cl)c1 96861449 KHWDTXGLMJXVRK-UHFFFAOYSA-N 281.142 3.698 0 40 CHAB CC(C)c1oc([C@H]2CCCN2)nc1-c1ccccc1 68576846 ZJIIRBDGXAVPMC-CYBMUJFWSA-N 256.349 3.890 0 40 CHAB in-vitro COc1ccc(-c2ccc(Br)cn2)cc1 39402280 RNHJUTIKTVYRAJ-UHFFFAOYSA-N 264.122 3.520 0 40 CHAB CC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 383592 CLKZRPOYEYEJHY-UHFFFAOYSA-N 289.718 3.518 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cccc(C)c2C)c1 6377015 GODVXIWCLYZHRP-UHFFFAOYSA-N 267.328 3.758 0 40 CHAB CC1CCC(NC(=O)c2cccc(Cl)c2)CC1 6263615 BEICPFRDPPWJNA-UHFFFAOYSA-N 251.757 3.649 0 40 CHAB COC(=O)c1sc(-c2ccc(CC(C)C)cc2)cc1N 82551 CYBUSLWBHVFSJH-UHFFFAOYSA-N 289.400 3.982 0 40 CHAB in-vitro C[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccs1 28427272 KSPKEYLATJGCRX-SNVBAGLBSA-N 295.354 3.836 0 40 CHAB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c(C)o1 1776008855 PGSOYAQCZJYJMX-HOTGVXAUSA-N 285.387 4.000 0 40 CHAB CCN(C(=O)c1cn2c(C)cccc2n1)c1ccccc1C 40052649 NJAQDDPZXKKEKN-UHFFFAOYSA-N 293.370 3.618 0 40 CHAB S=C1CO[C@@H](c2ccccc2)N1c1ccccc1 81112 UCYWHNDOEJMQLF-HNNXBMFYSA-N 255.342 3.549 0 40 CHAB Oc1ccc(-c2ccc(I)cc2)cc1 2579046 WJXIAMCDWSUSEI-UHFFFAOYSA-N 296.107 3.664 0 40 CHAB in-vitro O=C(Nc1ccccc1Cl)c1cc2ccccc2c(=O)o1 11689993 JBRDBULDQPRANU-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB Cc1cc([C@H](C)NC(=O)C[C@H]2C=CCC2)c(C)s1 46240551 FMURUWUXIWJIFP-AAEUAGOBSA-N 263.406 3.898 0 40 CHAB CCCOc1ccccc1Cn1c(=O)sc2ccccc21 4318181 ATQVQCQELWKPPP-UHFFFAOYSA-N 299.395 3.900 0 40 CHAB O=C(Nc1ccccc1F)Oc1cccc2cccnc12 4539177 HUGOBPFIZGLTKL-UHFFFAOYSA-N 282.274 3.985 0 40 CHAB CC[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 32895712 WTJORUAMKALNSE-MRVPVSSYSA-N 255.745 3.642 0 40 CHAB O=C(Nc1nccs1)c1ccc2c3c(cccc13)CC2 8761833 LCJFBIYFUNUIPC-UHFFFAOYSA-N 280.352 3.647 0 40 CHAB Cc1noc2c1[C@H](c1cccnc1)C1=C(O)CCCC1=N2 102734229 YHZJWKKBMWYNJF-AWEZNQCLSA-N 281.315 3.592 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2)c(C)c1 55731820 ZHXFCADOXOPJNQ-HNNXBMFYSA-N 283.371 3.501 0 40 CHAB c1ccc2sc(N3CCc4sccc4C3)nc2c1 22137452 AXFZIMRHLIOGTC-UHFFFAOYSA-N 272.398 3.921 0 40 CHAB CCN(CC)c1ccc(C(=S)N2CCC(C)CC2)cc1 9188323 QIAAIXPECRSPPZ-UHFFFAOYSA-N 290.476 3.940 0 40 CHAB CC[C@H](C)[C@H](C)NCc1ccccc1Br 42419225 WDTWUBOMMXEIHP-QWRGUYRKSA-N 270.214 3.973 0 40 CHAB Cc1ccc2nc([C@H]3CCCN3C(=O)CCC(C)C)[nH]c2c1 61232940 FUIBYDOJPHHXJA-MRXNPFEDSA-N 299.418 3.971 0 40 CHAB Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2)c1 999432 IBFQYTJRKGAZSP-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CC1(C)C=CN(c2ccc(F)c(Cl)c2)C(S)=N1 54957134 OOAKJYYFSJVUJJ-UHFFFAOYSA-N 270.760 3.877 0 40 CHAB Cc1cccnc1NC(=O)N[C@@H]1CCSc2ccccc21 43167661 RXCZDCQWBSTMDN-CYBMUJFWSA-N 299.399 3.749 0 40 CHAB COc1ccccc1C1=N[C@@H](c2ccc(C)cc2)N=C1C 1386249 VLZXHIOAOFAPFB-SFHVURJKSA-N 278.355 3.966 0 40 CHAB CNc1nc(Sc2ccc(C)cc2)cc(C(F)(F)F)n1 1396767 SHNHJQUYMCYYBX-UHFFFAOYSA-N 299.321 3.997 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc3c(c2)CCO3)[C@@H]1C 26068631 SPYHDNNZFCMOCO-DMMFZDECSA-N 299.414 3.576 0 40 CHAB CCOc1cccc(CNc2ncnc3ccccc23)c1 37715788 LVMDYJVDTJMRMV-UHFFFAOYSA-N 279.343 3.641 0 40 CHAB COc1ccc([C@H](NC(=O)c2ccc(C)cc2)C2CC2)cc1 26947143 BQRWPXGNTSEPHB-GOSISDBHSA-N 295.382 3.885 0 40 CHAB C[C@@H](N)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 20594508 DDJQFAXXZPWWOV-FSPWUOQZSA-N 267.372 3.716 0 40 CHAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OC 20092835 NRHHZTHYKCDALQ-UHFFFAOYSA-N 287.359 3.715 0 40 CHAB O=C(O)CCCCC(=O)c1ccc2ccccc2c1 2378700 GMYDEGVDEPRTQI-UHFFFAOYSA-N 256.301 3.668 0 40 CHAB COc1ccccc1C(=O)c1cc2ccccc2o1 20362288 ZKGOMWQUXAQPJO-UHFFFAOYSA-N 252.269 3.672 0 40 CHAB Cc1cccc(OCCN(C)Cc2nc3ccccc3o2)c1 48368064 XMCULWHRPQROQB-UHFFFAOYSA-N 296.370 3.647 0 40 CHAB O=C(/C=C/c1cccc(Cl)c1)NCc1ccccc1 3480557 JSLKMBWLOJDPSS-MDZDMXLPSA-N 271.747 3.670 0 40 CHAB CC(C)c1ccc(Cn2c(CCO)nc3ccccc32)cc1 8786078 QYEUDTKSMREIQF-UHFFFAOYSA-N 294.398 3.743 0 40 CHAB O=C(Cc1ccc2c(c1)CCC2)NC1CCCCCC1 7397759 CBYMKODKWAFADE-UHFFFAOYSA-N 271.404 3.557 0 40 CHAB O=C(NCc1ccc(F)cc1)NC1CCCCCCC1 9218864 DRLYQETZWOCUIS-UHFFFAOYSA-N 278.371 3.738 0 40 CHAB Cc1ccnc2nc(CSCc3ccccc3)[nH]c12 96010361 JMVPLLUBQCCCAY-UHFFFAOYSA-N 269.373 3.700 0 40 CHAB CC(=O)Nc1cccc(N[C@H]2CCOC3(CCCC3)C2)c1 94365889 RBPCQELIKGUQOP-INIZCTEOSA-N 288.391 3.549 0 40 CHAB C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccncc1F 97135927 DPSIOAUESAZOCZ-JSGCOSHPSA-N 299.349 3.631 0 40 CHAB Cc1ccccc1CNc1cc(F)ccc1-n1cccn1 95389681 HFNYVSXIOCNTQT-UHFFFAOYSA-N 281.334 3.932 0 40 CHAB Cc1cccc(CNc2nc(-c3ccccc3)no2)c1 95397033 PFPVRBYSHZEXDV-UHFFFAOYSA-N 265.316 3.657 0 40 CHAB O=C(Nc1cc(-c2ccco2)ccc1F)N1CCCC1 98014276 NFLIWWQBIMLOPF-UHFFFAOYSA-N 274.295 3.713 0 40 CHAB Cc1ccccc1[C@@H](N[C@H](C)c1cnn(C)c1)C1CC1 95967942 BMLPANRPPYCKIC-DYVFJYSZSA-N 269.392 3.530 0 40 CHAB Fc1cccc(Cn2ccnc2-c2cccs2)c1 95990763 XNGWHDXTBGAHIE-UHFFFAOYSA-N 258.321 3.799 0 40 CHAB CC(=O)OC[C@@]12COC3(CCCC3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 5527928 DNFFPEBVRBASNE-TXCZRRACSA-N 292.419 3.727 0 40 CHAB biogenic Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OCc1ccccc1 36393883 BGNJFFDMGYHCJT-JKSUJKDBSA-N 297.398 3.778 0 40 CHAB CNCc1ccc(SC2CCCCC2)nc1C 72224891 ISHMPXYPSRCYGW-UHFFFAOYSA-N 250.411 3.534 0 40 CHAB CC[C@@H](O)c1ccc(N(C)c2ccccc2)nc1C 72224386 PWCCHHFXKONHNR-OAHLLOKOSA-N 256.349 3.601 0 40 CHAB O=[N+]([O-])c1cc(Cl)ccc1N1CCc2ccccc21 34162951 PQESBPVYULHBIR-UHFFFAOYSA-N 274.707 3.942 0 40 CHAB Brc1ccc([C@@H]2C[C@@H]2CN2CCCC2)cc1 217809276 XRBKNTXOIJFLEF-OCCSQVGLSA-N 280.209 3.648 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cscc1C 75149019 QSTVITADOTZZHM-ZDUSSCGKSA-N 290.413 3.816 0 40 CHAB O[C@@H](c1c(Cl)cccc1C(F)(F)F)C(F)(F)F 1536132705 JCDKKLVZGGBQEA-ZETCQYMHSA-N 278.579 3.955 0 40 CHAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccccc1F 225468300 RIVYVSAHSPTTRC-UHFFFAOYSA-N 288.322 3.717 0 40 CHAB CC(C)Oc1ccc(C(=O)NCC2=CCCCC2)cc1 224272490 IWINAPHOMCDWAI-UHFFFAOYSA-N 273.376 3.704 0 40 CHAB Fc1cc(CNCc2ccccc2)ccc1Br 43576952 RQNDUPXKAFEBKU-UHFFFAOYSA-N 294.167 3.878 0 40 CHAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 82609389 IMZBZJWEMPTZSN-DTWKUNHWSA-N 267.291 3.632 0 40 CHAB CC1(C)CC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc21 226743640 USNLZVQFMXWIGB-UHFFFAOYSA-N 294.354 3.559 0 40 CHAB COc1cccc2cc(Br)c(Cl)nc12 95098182 VOUVDGSUVOSKOB-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB CC(C)Oc1c(C(=O)O)oc2ccc(Br)cc12 96510842 WHXRSEWMGNUGTO-UHFFFAOYSA-N 299.120 3.681 0 40 CHAB CC(=O)c1ccc(C(C)=O)c(OCc2ccccc2)c1 5051871 QRGJBXOLKYYFDS-UHFFFAOYSA-N 268.312 3.671 0 40 CHAB O=Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 16400020 DHJDUOKWFZLSKB-UHFFFAOYSA-N 257.676 3.961 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1ccc(C(C)(C)C)cc1 168640379 LAOOQLOIXKZWCV-UHFFFAOYSA-N 262.349 3.509 0 40 CHAB Cc1nc(-c2ccccc2NC(=O)C2CCC2)cs1 208008882 GKXUBKOILIDWTP-UHFFFAOYSA-N 272.373 3.857 0 40 CHAB O=C(COc1ccccc1Cl)Nc1ccc(F)c(F)c1 3514926 QGFRDXJXICDZDA-UHFFFAOYSA-N 297.688 3.636 0 40 CHAB CCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1 226352729 VZJKHHJNNQEXNN-UHFFFAOYSA-N 287.315 3.774 0 40 CHAB CC[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC2 20769224 QUSVOUJGOGGEEP-INIZCTEOSA-N 272.392 3.972 0 40 CHAB Fc1ccccc1CSc1nnc(-c2ccncc2)o1 4941560 LIHJYMUMUAVXLO-UHFFFAOYSA-N 287.319 3.563 0 40 CHAB CCOc1ccccc1NC(=O)c1cc2nc(C)ccc2o1 8793859 IDKRJBJYEIDDOI-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB CCOC(=O)CCCC(=O)c1ccccc1C(C)C 575357679 WGOBBPJBJSFAPO-UHFFFAOYSA-N 262.349 3.726 0 40 CHAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2F)cc1 42653957 UBBICKAFPKFPIS-ZHACJKMWSA-N 291.347 3.547 0 40 CHAB Oc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 100070108 BMYYACBMCIIUKF-UHFFFAOYSA-N 270.719 3.898 0 40 CHAB O=C(CC(=O)c1ccc2ccccc2c1O)c1ccco1 100719766 GDWLKXMGWPUDCN-UHFFFAOYSA-N 280.279 3.594 0 40 CHAB COc1cccc2c1OC(C)(C)N1N=C(c3ccco3)C[C@H]21 221396 LSPGFGJKXRNQBE-CYBMUJFWSA-N 298.342 3.568 0 40 CHAB Cc1ccc(-c2cc(C(N)=O)c3cc(Cl)ccc3n2)o1 17009716 WUWNNMGYTDNSQO-UHFFFAOYSA-N 286.718 3.556 0 40 CHAB C[C@H]1CC(C)(C)N(C(=O)C(F)(F)F)c2ccccc21 377664 TXKWZNBVSYFMJT-VIFPVBQESA-N 271.282 3.868 0 40 CHAB COc1ccccc1-c1cnc2ccc(Cl)cc2n1 32520263 DCFZOKQFAVWNAO-UHFFFAOYSA-N 270.719 3.959 0 40 CHAB Cc1cc(OCC(=O)N(C)CC2CCCC2)ccc1Cl 60211774 JKZYRKFCMWZGNX-UHFFFAOYSA-N 295.810 3.676 0 40 CHAB CC[C@H](C(=O)Nc1ccc(C)c(O)c1)c1ccccc1 365445 PYDNFXCEWDUZDQ-HNNXBMFYSA-N 269.344 3.833 0 40 CHAB C[C@]12C[C@@H](NC(=O)N1c1cccc(F)c1)c1ccccc1O2 2498586 BQOHJBOIUGENCN-PBHICJAKSA-N 298.317 3.595 0 40 CHAB C[C@@]12CCC(=O)C[C@@H]1CCC1=C2CC[C@H]2C(=O)CC[C@H]12 3843934 ZWHSPFDZONRAGT-HMECXNKFSA-N 272.388 3.841 0 40 CHAB COc1ccc(CC(=O)O[C@H]2CCCc3ccccc32)cc1 32902315 UHQNUSOYWJUPFX-SFHVURJKSA-N 296.366 3.859 0 40 CHAB O=C(O)Cc1ncc(C(F)(F)F)cc1-c1cccc(F)c1 47206726 BYIMHUTUSGKSFS-UHFFFAOYSA-N 299.223 3.534 0 40 CHAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)sc1C 101988541 YLMYQOXLBCWUBR-FMKGYKFTSA-N 277.433 3.919 0 40 CHAB Cc1ccc(CN(C(=O)c2cc(C3CC3)on2)C2CC2)cc1 25765131 JEJKQVYQVMCXHF-UHFFFAOYSA-N 296.370 3.665 0 40 CHAB CS/C(=C\[N+](=O)[O-])Nc1ccc(C(C)C)cc1 100381861 ZJXBFMYWISHOQM-WQLSENKSSA-N 252.339 3.661 0 40 CHAB Cc1ccc2nc(/C=C/c3csnn3)ccc2c1 44025643 MKPSDPFVCPWNHR-AATRIKPKSA-N 253.330 3.565 0 40 CHAB Nc1ccc(C(=O)OC2CCCCC2)cc1Br 20134530 BEQUZZAYPUZBJK-UHFFFAOYSA-N 298.180 3.521 0 40 CHAB CCCCc1nnc2sc(-c3ccc(C)c(C)c3)nn12 11277862 LROKFVLKGMWRCR-UHFFFAOYSA-N 286.404 3.812 0 40 CHAB CC(C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12857046 UACNLMFLCUYRLN-UHFFFAOYSA-N 275.348 3.713 0 40 CHAB Cc1ccc(OCCOc2ccc3ccc(=O)oc3c2)cc1 3493715 DFBCIOIBRGRKQJ-UHFFFAOYSA-N 296.322 3.559 0 40 CHAB Cc1cccc(OCCCCn2nnc3ccccc32)c1 5015533 GBJCDZDGJVGTBO-UHFFFAOYSA-N 281.359 3.599 0 40 CHAB CCCc1cc(-c2nnc(S)n2CC)c2ccccc2n1 6493358 NPCZHRKMVUPFNJ-UHFFFAOYSA-N 298.415 3.754 0 40 CHAB O=C(/C=C/c1nc2ccccc2o1)NC1CCCCCC1 6561614 WFCOECXZWQOMMQ-VAWYXSNFSA-N 284.359 3.680 0 40 CHAB c1ccc(COc2ccc(OCC3CCNCC3)cc2)cc1 14631464 QBVYAJIMGHTLOC-UHFFFAOYSA-N 297.398 3.644 0 40 CHAB CCCCP(=O)(CCCC)CSC(=N)N 4814903 NFTDDOPWUACONS-UHFFFAOYSA-N 250.348 3.534 0 40 CHAB Cc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1 67789612 BHGQJJHJSWCJNO-UHFFFAOYSA-N 273.763 3.507 0 40 CHAB Clc1ccc(C2=NN=C(NC3CCCC3)SC2)cc1 7849943 PWLGTACZXLTPGJ-UHFFFAOYSA-N 293.823 3.679 0 40 CHAB CCCOc1cccc(C(=O)Nc2ccc(N)cc2C)c1 19736423 WFSFWCCAKUEFGY-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Cc1ccnc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 9316442 IBXFHLRWIBRZLL-OLZOCXBDSA-N 286.762 3.786 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccc[nH]2)cs1 9549373 BXBZQNBGMXYAMY-CMDGGOBGSA-N 295.367 3.790 0 40 CHAB C[C@H](CCc1ccccc1)CNc1cccc(CO)c1 97105327 MCLBUYHFNINGBP-OAHLLOKOSA-N 269.388 3.860 0 40 CHAB CCO[C@@H]1C[C@@H](NCc2cccc(OC)c2)C12CCCC2 85679964 OBCFGXJHXMMKAL-IAGOWNOFSA-N 289.419 3.523 0 40 CHAB O=C(c1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1c1ccc(F)cc1 9913629 XLMQVSNYCUHXNE-CHWSQXEVSA-N 280.302 3.688 0 40 CHAB CCCOc1ccc(C(=O)Nc2cccc(COC)c2)cc1 25334781 UVYFPIJYTPOVMF-UHFFFAOYSA-N 299.370 3.874 0 40 CHAB CCCOc1cccc(C(=O)Nc2ccc(C)cc2N)c1 61667272 WPHBVEIAOXZRHU-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Cc1cccc(-c2[nH]ncc2C(=O)NC2CCC(C)CC2)c1 72329100 LUTWFFYFWCSAEA-UHFFFAOYSA-N 297.402 3.694 0 40 CHAB CN1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214092 KQFYUUSNMBEMMT-MRXNPFEDSA-N 267.376 3.982 0 40 CHAB CCCCSc1nnc(C)n1Cc1ccccc1 35315300 HXCPJEKKNHNREQ-UHFFFAOYSA-N 261.394 3.527 0 40 CHAB O=C(CCc1ccccc1)Nc1ccc(-c2cc[nH]n2)cc1 31561668 IYBQHOASGIWCHU-UHFFFAOYSA-N 291.354 3.648 0 40 CHAB Cc1cccc(NC(=O)C(C)(C)c2ccccc2)c1 36022587 PPNDSXCDPAXLTK-UHFFFAOYSA-N 253.345 3.911 0 40 CHAB CCCN1CCC[C@@H]1c1ccc(N2CCCC2)nc1C 72218921 QSWQUQAZBFDLSP-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB Fc1ccccc1CSc1nsc(Cl)n1 71980748 NQRWUBHEIRGZCL-UHFFFAOYSA-N 260.746 3.623 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 44901703 COPUYPNORIEFOW-UHFFFAOYSA-N 273.763 3.541 0 40 CHAB O=C(OCc1ccccc1)c1snnc1-c1ccccc1 223833184 CGFPULXGCWXVLW-UHFFFAOYSA-N 296.351 3.562 0 40 CHAB Clc1ccc(OCC[C@H]2CCCNC2)c(Cl)c1 42772303 LSJKZJIHVUYTMZ-SNVBAGLBSA-N 274.191 3.762 0 40 CHAB CC(C)CNCc1ccn([C@H](C)c2ccccc2)c1 223694865 QEEPJCZOPWDEMT-OAHLLOKOSA-N 256.393 3.843 0 40 CHAB Cc1nc(Cl)cc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 226076441 KRVSULZAPXIBJL-NSHDSACASA-N 297.786 3.510 0 40 CHAB O[C@@H]1CC2(CCC2)Sc2cc(Br)ccc21 238708923 VINKJDAMETWNJP-SNVBAGLBSA-N 285.206 3.901 0 40 CHAB O=C(CCC(F)(F)F)N1CCC[C@H]2CCCC[C@H]21 95440925 XKOBLIVHLWYVNY-GHMZBOCLSA-N 263.303 3.510 0 40 CHAB OCCC[C@H]1CCCN1Cc1cccc2ccccc12 52761818 CTTUWCOXTKULQA-QGZVFWFLSA-N 269.388 3.577 0 40 CHAB CC[C@@H](C)Oc1c(F)cc(F)cc1Br 95915367 ARUCORNPFZWTOM-ZCFIWIBFSA-N 265.097 3.905 0 40 CHAB O=C1CCc2cc(-c3csc(C4CC4)n3)c(F)cc2N1 48640323 NIOOXVSSNFHISF-UHFFFAOYSA-N 288.347 3.711 0 40 CHAB COC(=O)c1csc2c(C(F)(F)F)cc(Cl)nc12 160049 GVXHSMAJJFVLGD-UHFFFAOYSA-N 295.669 3.755 0 40 CHAB Cc1cc(O[C@@H](Cc2ccccc2)C(=O)O)ccc1Cl 225013795 YEGASYAJEIYGHT-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Cc1ccc(-c2cnc(-c3cccc(N)c3)o2)cc1 226102979 KTZVIGXTVCWSDX-UHFFFAOYSA-N 250.301 3.899 0 40 CHAB COc1ccccc1-n1c(S)nnc1-c1ccc(C)cc1 11692619 DYZQJLMOFCTWCD-UHFFFAOYSA-N 297.383 3.540 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1cc(C(F)(F)F)nc(C)n1 1775995614 BKBZOCLULBSHSV-TXEJJXNPSA-N 297.324 3.881 0 40 CHAB Cc1cccc([C@H](C)NCCCCn2ccnc2C)c1 95423171 KVFRQPVWYKCCJY-HNNXBMFYSA-N 271.408 3.631 0 40 CHAB COc1ccc2[nH]c3c(C)c(C)c(OC)c(O)c3c2c1 3647417 MKNADQBPZINGKC-UHFFFAOYSA-N 271.316 3.661 0 40 CHAB biogenic,in-vitro COc1ccc(C(F)(F)F)cc1C(=O)CCSC 575359989 BJWQRTGZVCQCCU-UHFFFAOYSA-N 278.295 3.650 0 40 CHAB O=C1CCCc2[nH]nc(-c3cccc4ccccc34)c21 20674297 SLVMVJDOWIJNSD-UHFFFAOYSA-N 262.312 3.749 0 40 CHAB CCN(CC)C(=O)c1c(C=O)cccc1Oc1ccccc1 1857794655 HNCHKUJBBKRKHC-UHFFFAOYSA-N 297.354 3.773 0 40 CHAB COC(=O)c1cc(-c2ccccc2OC)nc2ccccc12 115709 KDXLAHAJDIKWSP-UHFFFAOYSA-N 293.322 3.697 0 40 CHAB CCn1c(C)nnc1SCc1ccc(Cl)s1 60364588 GWUSQJBIHMCISD-UHFFFAOYSA-N 273.814 3.614 0 40 CHAB Cc1cc(C(=O)NC2CCCCCC2)c2ccccc2n1 2622272 OVENYHPUPUPILM-UHFFFAOYSA-N 282.387 3.996 0 40 CHAB CCN(CC)c1ccc(C(=S)N2CCCCC2)cc1 1471402 HFKXDRULQWLUCT-UHFFFAOYSA-N 276.449 3.694 0 40 CHAB O=C1c2ccc3ccccc3c2CC[C@H]1N1CCCCC1 1594872 DEWCHKWQJYCBCB-GOSISDBHSA-N 279.383 3.823 0 40 CHAB C[C@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1 32755024 WAGPNQXYTWPOMP-GFCCVEGCSA-N 296.345 3.841 0 40 CHAB O=C(O)c1cc2sccc2n1Cc1ccc(F)cc1 3030946 SXAQUTFTNUVQFM-UHFFFAOYSA-N 275.304 3.588 0 40 CHAB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 3830640 FMGSKLZLMKYGDP-NNRKOQHJSA-N 288.431 3.879 0 40 CHAB COc1cc(NCCC[C@@H]2CCCCN2)c2ncccc2c1 4365377 BMOWBCJBOOAZSL-HNNXBMFYSA-N 299.418 3.578 0 40 CHAB CCN(Cc1ccccc1)C1CCN(Cc2ccco2)CC1 4703474 UBKSCQYMVRCTBQ-UHFFFAOYSA-N 298.430 3.766 0 40 CHAB Cc1oc(C(C)(C)C)c(CN2CCCCC2)c1C(=O)O 6472805 NFALAJZLIPRHMZ-UHFFFAOYSA-N 279.380 3.570 0 40 CHAB O=c1[nH]c2ccc(Cl)cc2c(O)c1-c1ccccc1 8578565 LTEXAOXVPRQIQP-UHFFFAOYSA-N 271.703 3.554 0 40 CHAB COc1ccc(C)cc1CS[C@H](C)C(=O)NC(C)(C)C 52805042 BZFKHEPKACDFPU-GFCCVEGCSA-N 295.448 3.540 0 40 CHAB O=C(O)c1ccc(COc2cccc(Cl)c2)s1 12357609 QIRNDRHHPZXSCN-UHFFFAOYSA-N 268.721 3.679 0 40 CHAB CC(C)c1ccc(OC[C@@H]2CCNC2)c(Br)c1 42770512 VYIAAOFQHSLVGP-LLVKDONJSA-N 298.224 3.561 0 40 CHAB Cc1noc(C)c1CN[C@@H]1CCSc2c(F)cccc21 105984395 IJUAFTDEVNLQFB-CQSZACIVSA-N 292.379 3.757 0 40 CHAB COc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1F 24924761 UAYKYXHGJHGSMF-UHFFFAOYSA-N 296.301 3.635 0 40 CHAB Clc1ncc(CN2CCCc3ccccc32)s1 1402806 ZMRADZRXLMWKLX-UHFFFAOYSA-N 264.781 3.749 0 40 CHAB O=C(N1CCc2ccccc21)C1(c2ccccc2)CCC1 25318509 SXNFRMLXWWPRBT-UHFFFAOYSA-N 277.367 3.698 0 40 CHAB CCCOc1ccc2c(C)c(C)c(=O)oc2c1OCCC 1805704 UNSGRMVHFMCPHK-UHFFFAOYSA-N 290.359 3.987 0 40 CHAB CCSc1nnc(Cc2ccccc2)n1-c1ccccc1 35840078 PSOCPXCVFNMSOF-UHFFFAOYSA-N 295.411 3.970 0 40 CHAB CCCCCC(=O)Nc1cc(OC)c(Cl)cc1OC 2139022 TWAVLYVFJURUSK-UHFFFAOYSA-N 285.771 3.876 0 40 CHAB COc1ccc(C)cc1CN(C)c1nc2ccccc2o1 12768046 MYAOKZPYHIUNRP-UHFFFAOYSA-N 282.343 3.781 0 40 CHAB C[C@@H](Sc1ncccc1Cl)C(=O)NC1CCCCC1 11033835 LIWLHLZIJUXPTB-SNVBAGLBSA-N 298.839 3.665 0 40 CHAB CSc1nc(Cl)c2c3c(sc2n1)CCC3 5094130 FBFDZNFDXNRNRF-UHFFFAOYSA-N 256.783 3.555 0 40 CHAB COc1ccc(CCC(=O)NC2CCCCCCC2)cc1 6128055 IAVOIRPPFMYDRY-UHFFFAOYSA-N 289.419 3.857 0 40 CHAB Cc1ccc(C)c(C(=O)Nc2nc3c(s2)CCCC3)c1 6472439 KOFAOTJLEPRPEF-UHFFFAOYSA-N 286.400 3.891 0 40 CHAB O=C(/C=C/c1ccco1)Nc1nc2c(s1)CCCCC2 14554142 UQIBRQLQFOTCOF-CMDGGOBGSA-N 288.372 3.657 0 40 CHAB Cc1ccccc1COc1c(C)cc(CO)cc1C 20425095 YDCFFAROFZOKBP-UHFFFAOYSA-N 256.345 3.683 0 40 CHAB CCCSc1nc(-c2ccccc2Br)n[nH]1 7252210 KXKYPSVZZHWEKR-UHFFFAOYSA-N 298.209 3.736 0 40 CHAB CCCOCc1c(Br)cnn1[C@H](C)CC 408716066 IMZIVXPEZJFLLJ-SECBINFHSA-N 275.190 3.543 0 40 CHAB CCOc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1C 71899341 FWMAMRILQJMPRX-ZDUSSCGKSA-N 287.359 3.820 0 40 CHAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccsc2)C1 72403445 OOSQJSVMRYLVHH-LBPRGKRZSA-N 299.355 3.710 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1 20485234 OJWVPCXKGGMKTO-INIZCTEOSA-N 287.334 3.930 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1N 20194947 ODZSHXMMIVYMCF-UHFFFAOYSA-N 278.714 3.622 0 40 CHAB CCCCn1c([C@H]2CCCN2C(=O)CC)nc2ccccc21 21787051 FBMZAWGPLYPUBM-MRXNPFEDSA-N 299.418 3.910 0 40 CHAB Cc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 522115 NRQBCDSTILQEHO-UHFFFAOYSA-N 254.260 3.908 0 40 CHAB biogenic O=C(Cc1cccs1)c1ccccc1OC(F)F 38126023 OVGISVYNJNDPIK-UHFFFAOYSA-N 268.284 3.775 0 40 CHAB CCC(=O)c1ccc(OCc2ccccc2)cc1OC 3844107 WALSFODQACXDEM-UHFFFAOYSA-N 270.328 3.867 0 40 CHAB biogenic C[C@]12CC=C3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 4369811 FABGTKBXHAEVKL-XSLAGTTESA-N 270.372 3.519 0 40 CHAB biogenic COc1cc2nc(C)c(C)c(Cl)c2cc1OC 37947790 OHVHUPYSKBSOHA-UHFFFAOYSA-N 251.713 3.522 0 40 CHAB Cc1ccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)cc1C 71979039 JHQFFAXWCOHDGJ-KRWDZBQOSA-N 294.354 3.695 0 40 CHAB COc1ccccc1CN(C)C(=O)/C=C/c1ccc(F)cc1 44905087 YFBIPXOBGXMREO-FMIVXFBMSA-N 299.345 3.506 0 40 CHAB Clc1cccc(-c2nc(Cl)c3c(n2)CCC3)c1 42297083 DINPDNYECZHUBO-UHFFFAOYSA-N 265.143 3.939 0 40 CHAB Cc1ccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225020945 BEGDXUSOWAACQK-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)NCC1=CCCCC1 224417616 OMYXBCGJBIEOQC-CQSZACIVSA-N 287.403 3.633 0 40 CHAB COC(=O)CN1c2cc(Cl)ccc2C(C)=CC1(C)C 223824616 XRMDOYYMBIHSAT-UHFFFAOYSA-N 279.767 3.515 0 40 CHAB Cc1cccc(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 253398185 GRSIDQJMBMNVEW-KRWDZBQOSA-N 297.373 3.693 0 40 CHAB O=C(Nc1ccccn1)c1cc2c(Cl)nccc2s1 1531173715 ULWNJYOKNBXVBD-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB CC(=O)N(Cc1cc(C)nc2ccccc12)C1CCCC1 70015048 QMFXRXMRFDVPEN-UHFFFAOYSA-N 282.387 3.834 0 40 CHAB CC(=O)c1cc(Br)c(F)cc1OC(C)C 953000381 PHRZIDQICVICRF-UHFFFAOYSA-N 275.117 3.578 0 40 CHAB Fc1ccc(NCC(F)(F)F)c(Br)c1 20430874 LOEKBCJCOUJRHW-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB Clc1cccc(-n2ncc3c(Cl)nc(Cl)nc32)c1 168105890 HZHWVLWGAYWFPE-UHFFFAOYSA-N 299.548 3.776 0 40 CHAB CN(C(=O)c1ccc(-c2ccccc2N)o1)c1ccccc1 226303864 OHGFGTZZJYOJCZ-UHFFFAOYSA-N 292.338 3.805 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1Cl 21125410 LITKHWGQVBTKDK-LLVKDONJSA-N 289.762 3.840 0 40 CHAB CCc1ccc(C(=O)CCc2nc3ccccc3[nH]2)cc1 587957141 QSGGQUQFMBSSSN-UHFFFAOYSA-N 278.355 3.941 0 40 CHAB Clc1cccc(Cl)c1COc1ccccn1 264939 KQLSGIWMHRZFKP-UHFFFAOYSA-N 254.116 3.967 0 40 CHAB Fc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1 40161837 XAXDMNDPZRTETQ-LLVKDONJSA-N 261.262 3.600 0 40 CHAB CN(CCCc1ccccc1)c1nc(Cl)c(C=O)s1 2507514 OKRVRDJMRPCJOI-UHFFFAOYSA-N 294.807 3.678 0 40 CHAB COc1cccc(C(=O)NC2CCCCCCC2)c1 3093816 OOIQKCTUZPCJFE-UHFFFAOYSA-N 261.365 3.538 0 40 CHAB Cc1sc(NC(=O)C(C)C)nc1-c1ccccc1 3107717 AVWCZBKPYLLEPE-UHFFFAOYSA-N 260.362 3.713 0 40 CHAB CCC[C@@H]1O[C@@H](c2ccc(OC)cc2)OC[C@H]1CC 4410472 VBKDECKJNITBRB-KCXAZCMYSA-N 264.365 3.936 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2O)C1(C)C 32895960 SZLXBXCNHZAWNQ-RISCZKNCSA-N 259.349 3.569 0 40 CHAB CCc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1 21796525 DSMQEIYBVQMWET-UHFFFAOYSA-N 291.354 3.687 0 40 CHAB CCOc1ccc2[nH]c3c(NCC(C)C)ncnc3c2c1 540820 XTLQODYRAZEBCC-UHFFFAOYSA-N 284.363 3.578 0 40 CHAB O=C(CCc1ccc(Cl)cc1)NCc1ccc(F)cc1 10747934 RBXPKGGVVLVQIF-UHFFFAOYSA-N 291.753 3.728 0 40 CHAB CC[C@@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(O)cc5c4CCN(C2)[C@H]13 104170189 RAUCDOKTMDOIPF-NGOSSMBMSA-N 296.414 3.634 0 40 CHAB CSc1ccccc1NCc1ccc2c(c1)OCO2 23282875 AFAICGREHRKLLO-UHFFFAOYSA-N 273.357 3.749 0 40 CHAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(Cl)c[nH]1 23506070 ULSJLDBZRSLTFI-QMMMGPOBSA-N 298.720 3.780 0 40 CHAB Oc1cccc(-c2csc(NNc3ccccc3)n2)c1 1415084 FORUKQGSYSRYJH-UHFFFAOYSA-N 283.356 3.955 0 40 CHAB CC(=O)Nc1cc(NC(=O)CCC2CCCC2)ccc1F 24992153 FDQOJJKFQBDQSG-UHFFFAOYSA-N 292.354 3.693 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@H]1C=CCC1)CC3 25544790 CQUYKSUIIOMFSE-CQSZACIVSA-N 294.398 3.717 0 40 CHAB c1ccc2oc(CN3CCC[C@H]4CCCC[C@H]43)nc2c1 107327419 KSVLOICKWMICNZ-UKRRQHHQSA-N 270.376 3.982 0 40 CHAB CC1(C)C=CN(c2cccc3ccccc23)C(=S)N1 56693949 RUSBOBQMNRFAFU-UHFFFAOYSA-N 268.385 3.827 0 40 CHAB CCOC(=O)c1sc2cc(F)ccc2c1Cl 3204878 SNVVXZHADAAYSF-UHFFFAOYSA-N 258.701 3.871 0 40 CHAB CC(C)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 21596380 NDFQYRCRKFEKRJ-UHFFFAOYSA-N 278.421 3.669 0 40 CHAB c1ccc2oc(Sc3ncc4ccccn34)nc2c1 48545587 ILGDBINEAVBTSD-UHFFFAOYSA-N 267.313 3.627 0 40 CHAB C[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1 3569690 JBMKKVXAGNNEER-LLVKDONJSA-N 291.297 3.779 0 40 CHAB Cc1ccc(NC(=O)Cc2cccc3cccnc23)c(F)c1 12952272 SZRARQDHVZYUMT-UHFFFAOYSA-N 294.329 3.864 0 40 CHAB CCCOc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 8565772 BWAMZZXIKBGRTD-AWEZNQCLSA-N 283.371 3.966 0 40 CHAB CC(=O)c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 6051875 OGVAXCPLNJBXLI-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB CCOC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 4290648 KXBJXIZSSIYICF-UHFFFAOYSA-N 296.779 3.646 0 40 CHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1cccs1 6220482 BSDQBPCVSJAEAO-SNVBAGLBSA-N 295.791 3.658 0 40 CHAB Nc1cc(Cl)ccc1Oc1ccc(F)c(F)c1 14629431 TZVYVRBHCKKPIU-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB CCc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 5611226 KGWLXKOCADHXJD-UHFFFAOYSA-N 265.356 3.990 0 40 CHAB Cc1nc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2s1 7670303 KJVUEALNXAUQOD-LLVKDONJSA-N 272.373 3.900 0 40 CHAB Cc1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1 8114691 SRQGJYWYTNYCNT-UHFFFAOYSA-N 279.383 3.733 0 40 CHAB C[C@H](Nc1ncnc2c1oc1ccccc12)c1ccccn1 9743898 HISBDVMUSPUWSM-NSHDSACASA-N 290.326 3.944 0 40 CHAB Cc1ccc(NCc2cn3cc(C)ccc3n2)c(F)c1 78958411 UNSMAEGIBDZPRN-UHFFFAOYSA-N 269.323 3.702 0 40 CHAB CCCn1nc(C)c(CNc2nc3ccccc3o2)c1C 97231787 OCRLJDUGLFFJGI-UHFFFAOYSA-N 284.363 3.663 0 40 CHAB COc1cccc2c(C(=O)O)c(-c3ccccc3)[nH]c12 408827304 IOVCDNAFAVBECK-UHFFFAOYSA-N 267.284 3.542 0 40 CHAB FC(F)(F)c1nccc(Cl)c1Br 95761940 IPWRSJNPYSDMMD-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB Nc1nc(-c2cccc(Cl)c2)cc(-c2ccco2)n1 71977578 ZVCBYIQZQHPLLU-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB COc1cccc(-c2cc(-c3ccc(C)cc3)nc(N)n2)c1 71977859 FSUHNGZQGYNSBA-UHFFFAOYSA-N 291.354 3.710 0 40 CHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)C2CC=CC2)c1 89616422 KHMKCXIFGRLRHH-QGZVFWFLSA-N 269.388 3.933 0 40 CHAB O=C(NCCC1=CCCCC1)c1conc1-c1ccccc1 225870568 VTPWYUVKIUSYQJ-UHFFFAOYSA-N 296.370 3.962 0 40 CHAB CC[C@@H]1N=C(C)c2cccn2-c2cc(OC)c(OC)cc21 225377634 GRZPUJWBPPBYMQ-ZDUSSCGKSA-N 284.359 3.768 0 40 CHAB O=C(O)[C@@H](Cc1ccccc1)Oc1cccc2ccccc12 225014333 JMGGQEORWGXTCD-GOSISDBHSA-N 292.334 3.915 0 40 CHAB Cc1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1 96586341 YEQLTFKCLPABFI-UHFFFAOYSA-N 295.382 3.891 0 40 CHAB OCCCc1c[nH]c2c(Br)cc(Cl)cc12 252507907 WWPCUCIIIQPWKO-UHFFFAOYSA-N 288.572 3.509 0 40 CHAB Cc1ccc(C)c(C(=O)c2cc(F)c(F)cc2F)c1 95916828 KATQCWYRSNCCDY-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB Cc1ccc(C2(C(F)(F)F)N=N2)c2cccnc12 1504245135 VFXGTNCWOCPJKR-UHFFFAOYSA-N 251.211 3.724 0 40 CHAB O=C(O[C@@H]1CCSC1)c1ccc(Cl)cc1Cl 159622 OZPSBZVNYWWSKR-MRVPVSSYSA-N 277.172 3.656 0 40 CHAB Cc1ccc(-c2cnc(-c3ccc(N)cc3)o2)cc1 226103063 KUUILLOTAMYLGT-UHFFFAOYSA-N 250.301 3.899 0 40 CHAB Cc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)s1 3373264 WXLKSWVXVOKVCZ-MDWZMJQESA-N 287.315 3.540 0 40 CHAB CN1CCC2=C(c3ccccc3)c3ccccc3[C@H]2C1 5700911 JNDASOYIKNULGB-GOSISDBHSA-N 261.368 3.921 0 40 CHAB O=C(CCc1ccccc1F)NCc1ccc(Cl)cc1 19160316 JNKWQRVCJAAUNI-UHFFFAOYSA-N 291.753 3.728 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)ncn3C)c(C)c1 162766462 IPFNNLZBEIEAAZ-UHFFFAOYSA-N 293.370 3.751 0 40 CHAB c1cc2c(cc1CNC1CCCCCCC1)OCO2 7521823 LKMNHNFDENGUJA-UHFFFAOYSA-N 261.365 3.618 0 40 CHAB CN(C(=O)c1cc(N)c(Cl)cc1Cl)c1ccccc1 226302492 CGZMCUQYEFWDBG-UHFFFAOYSA-N 295.169 3.852 0 40 CHAB Cc1cc(C)c(NC(=O)C2[C@@H]3[C@@H]2[C@@H]2CC[C@@H]3C2)c(C)c1 100079481 DUIWOWWTTVTZGJ-KBXIAJHMSA-N 269.388 3.842 0 40 CHAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)C1CCC1 38754729 JNMZJGZVJWRDKR-UHFFFAOYSA-N 296.326 3.504 0 40 CHAB Clc1cc(OC2C3CC4CC(C3)CC2C4)nc(Cl)n1 1857940 PATBRHMGNOWNMR-UHFFFAOYSA-N 299.201 3.987 0 40 CHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C 10449966 XRCOJZOQKGXWLI-CHWSQXEVSA-N 299.345 3.571 0 40 CHAB CCOc1ccccc1/C=C/C(=O)N1CCCCCC1 40159842 PRKLSMSTDHRVIP-VAWYXSNFSA-N 273.376 3.501 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2C)o1 40525330 WAOAOQIWPUHQJQ-GFCCVEGCSA-N 258.321 3.779 0 40 CHAB Cc1ccc(-c2nc(-c3ccccn3)no2)c(Cl)c1 91456 DJTPZUYTPVBPKW-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB COc1ccccc1Sc1ccccc1C[C@H](C)N 347791 IZCVLFKUXSXJLR-LBPRGKRZSA-N 273.401 3.736 0 40 CHAB CN(Cc1ccsc1)C(=O)c1cccc2cccnc12 32741292 CTHFEIWDJXDUQD-UHFFFAOYSA-N 282.368 3.569 0 40 CHAB O=C1[C@H](c2ccccc2)CCC[C@@H]1CN1CCCCC1 1637852 YZZLWLVHJAYMRB-SJORKVTESA-N 271.404 3.625 0 40 CHAB COc1cc(C=O)ccc1OC(=O)Nc1cc(C)ccc1C 1738408 HVBAQRLGSLOASD-UHFFFAOYSA-N 299.326 3.735 0 40 CHAB CCCCOC(=O)c1ccc(OC(=O)C(CC)CC)cc1 2065801 ZOFNMFYCIVCODL-UHFFFAOYSA-N 292.375 3.985 0 40 CHAB CCNC(=S)Nc1ccccc1Cc1ccccc1 2646548 RPLSNHMOTHMASY-UHFFFAOYSA-N 270.401 3.584 0 40 CHAB CCC[C@H](C)NC(=O)CSCCCc1ccccc1 46806676 AAHAJPSPHXPQSQ-AWEZNQCLSA-N 279.449 3.657 0 40 CHAB CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 979351 MQCKIWHLRVCIAY-JGGQBBKZSA-N 271.404 3.903 0 40 CHAB COc1ccc([C@@H]2CN(c3ccccc3)C[C@H]2C(C)=O)cc1 12351627 YHIGONDGSZFBNC-OALUTQOASA-N 295.382 3.504 0 40 CHAB BrC1(Br)[C@H]2CC/C=C/CC[C@@H]21 100971758 STKCBSOKXZTMOU-HIQWKFPQSA-N 280.003 3.849 0 40 CHAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC(C)C)cc12 3224726 QZNMQQMPCZRUBF-UHFFFAOYSA-N 299.399 3.534 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)o1 103449571 GZIDGWCEDDCBQF-OWWPQDGLSA-N 273.376 3.542 0 40 CHAB CCCCc1cc(C[C@@H]2C[C@H](NC(C)C)C2(C)C)no1 67889856 QTVGVRFJKGNCGA-CJNGLKHVSA-N 278.440 3.972 0 40 CHAB biogenic,in-vitro CC[C@@H](C)C(=O)Nc1ccccc1-c1nc(C(C)C)n[nH]1 58364991 UGGCNQNTSBWTLE-LLVKDONJSA-N 286.379 3.580 0 40 CHAB O=C(Cc1ccc(Cl)cc1)c1cc(F)ccc1O 2243274 DEQFRUBBOCSQOC-UHFFFAOYSA-N 264.683 3.610 0 40 CHAB in-vitro O=C(O)CCCCCCC(=O)c1cc(F)ccc1F 2243643 DBNDEQIYYJKBBK-UHFFFAOYSA-N 270.275 3.573 0 40 CHAB CCOc1ccccc1-c1ccc2sc(N)nc2c1 65404849 HOGONUKDMBQMHN-UHFFFAOYSA-N 270.357 3.944 0 40 CHAB CC(C)[C@H](N[C@@H](C)CC1CCC1)C(=O)OC(C)(C)C 95991639 NUYVESPXCFBHPI-JSGCOSHPSA-N 269.429 3.521 0 40 CHAB CC(C)CC(C)(C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 75108561 XTJNCPHWADIBFA-NSHDSACASA-N 295.427 3.617 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1Cl 20482503 KMVVOYVDWIYSSG-DGCLKSJQSA-N 283.799 3.802 0 40 CHAB Cc1ccc(CCCNC(=O)CCc2ccco2)c(C)c1 39981933 ZSIFKGOQKIZHKI-UHFFFAOYSA-N 285.387 3.578 0 40 CHAB O[C@@H](c1ccccc1)c1cc(OCc2ccccc2)ns1 36469841 XAFKAQMHNZXAGB-KRWDZBQOSA-N 297.379 3.804 0 40 CHAB COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(N)n1 71977848 IGIAOHKMWMJJMI-UHFFFAOYSA-N 291.354 3.710 0 40 CHAB CCCN1CC=C(c2nc3cc(CC)ccc3o2)CC1 73636269 ONTJCJDYNUBBRM-UHFFFAOYSA-N 270.376 3.889 0 40 CHAB CCCn1c(CCCCC(=O)O)nc2cccc(Cl)c21 37443430 GSTITPPNXRIQHX-UHFFFAOYSA-N 294.782 3.897 0 40 CHAB Cc1nc(N2CCCCCC2)ccc1[C@@H](O)c1ccccc1 72224576 HISZIDVUYJQXOK-IBGZPJMESA-N 296.414 3.852 0 40 CHAB Cc1n[nH]c(-n2cccc2)c1-c1ccc(Cl)cc1 72415050 IBNUCPBRJOAYFO-UHFFFAOYSA-N 257.724 3.829 0 40 CHAB CC(C)N1CCCC[C@H]1c1ccc(Br)nc1 72211574 ADWQZXPIZNYYMW-LBPRGKRZSA-N 283.213 3.780 0 40 CHAB Cc1cccc(CNC(=S)Nc2ccc(F)c(F)c2)c1 225427216 ZQNBJZOVUIPWDV-UHFFFAOYSA-N 292.354 3.760 0 40 CHAB COc1ccc(C(=O)C(F)(F)F)c2ccccc12 80300325 QDUIAIPDAPNCBE-UHFFFAOYSA-N 254.207 3.593 0 40 CHAB C[C@H]1CCCN(Cc2ccc(Br)cc2F)C1 42205910 MGOJSPYQZJDYCY-JTQLQIEISA-N 286.188 3.820 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2)o1 226304660 DOCABOFQJZHFHF-STQMWFEESA-N 298.386 3.932 0 40 CHAB CCCNC(=O)c1ccc(N[C@@H](C)c2ccccc2)c(N)c1 225412915 CGTOOMRTJSPJBS-ZDUSSCGKSA-N 297.402 3.582 0 40 CHAB COC(=O)c1cc(N)ccc1Nc1cccc2ccccc12 225467656 VRBSUFYSKICBAK-UHFFFAOYSA-N 292.338 3.952 0 40 CHAB c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2CC2CC2)cc1 96061595 JFKOZPIBBFAARA-RBUKOAKNSA-N 285.431 3.509 0 40 CHAB COc1cccc(C[S@@](=O)CC2CCCCC2)c1 96403872 KRSJEWGJZQVOGN-GOSISDBHSA-N 266.406 3.524 0 40 CHAB CC(C)Oc1ccnc2c(Br)cccc12 685937843 WGXUMHNLOLKRIF-UHFFFAOYSA-N 266.138 3.785 0 40 CHAB Cc1ccc(C)c(OC(=O)COC2CCCCC2)c1C 59272023 FDGIJXCHKDZZDK-UHFFFAOYSA-N 276.376 3.867 0 40 CHAB Cc1ncsc1CN1CCC(OC2CCCCC2)CC1 92736201 OHTWTHWIKZZKKI-UHFFFAOYSA-N 294.464 3.765 0 40 CHAB Cc1nccn1CCCCN[C@@H]1CCCc2sccc21 96478380 JTSJHIIVLYZNJG-OAHLLOKOSA-N 289.448 3.700 0 40 CHAB O=C(c1ccc(Cl)cc1)C(F)(F)Br 199619447 UBKGHSUQIZNVEW-UHFFFAOYSA-N 269.472 3.510 0 40 CHAB Fc1ccc(Br)cc1SC(F)F 604221852 SUGNEHAPAGWOCN-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB Fc1ccc(Br)c2nc(C(F)(F)F)oc12 258329196 AEOPZDVHBUOLFR-UHFFFAOYSA-N 284.006 3.748 0 40 CHAB CCOC(=O)c1cc(Cl)c(C(F)(F)F)cc1F 575385122 LDDXOTMRUIYMJR-UHFFFAOYSA-N 270.609 3.675 0 40 CHAB S=C(NCCCOC1CCCCC1)Nc1ccccc1 18168131 IBNSOQOZYPGDIB-UHFFFAOYSA-N 292.448 3.712 0 40 CHAB CC(C)C[C@@H](N)C1(c2c(F)cccc2F)CCC1 1772714924 NVVFTUKJTNQEIZ-CYBMUJFWSA-N 253.336 3.760 0 40 CHAB Cc1ccc(Nc2nc(C)c(C(=O)O)s2)c(C)c1 5448153 KXWANMWDLXUFIQ-UHFFFAOYSA-N 262.334 3.510 0 40 CHAB c1ccc(C(N2CCCCC2)N2CCCCC2)cc1 19324196 SBCQLLZYDKXTLE-UHFFFAOYSA-N 258.409 3.657 0 40 CHAB CSc1ccccc1C(=O)Nc1ccccc1C(C)=O 7718165 LHZUBPBLCBIUDB-UHFFFAOYSA-N 285.368 3.863 0 40 CHAB Cc1ccccc1NC(=O)c1ccc2ncsc2c1 105421 OEOAWBBSOFYXDU-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB O=C(c1ccccc1C(F)(F)F)N1CCCCCC1 28210666 SDFAOHOZFHEXNX-UHFFFAOYSA-N 271.282 3.722 0 40 CHAB O=C(c1ccccc1)[C@H](CN1CCCC1)c1ccccc1 436612 RKMMNJJFYFRSOY-GOSISDBHSA-N 279.383 3.749 0 40 CHAB CCC(=O)Nc1ccc(C)c(NC(=O)c2cccs2)c1 40111934 LFURENJBBMSJRQ-UHFFFAOYSA-N 288.372 3.657 0 40 CHAB O=C(Nc1cccc(OC(F)F)c1)N1CCCCCC1 40540520 YWWHEIXQJYJPBQ-UHFFFAOYSA-N 284.306 3.696 0 40 CHAB O=C(Nc1ccc(F)cc1Cl)c1ccccc1F 40845 DKXPBUWFBQYUEK-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB CC(C)c1ccc(C(=O)CCC2OCCCO2)cc1 2518098 PXDTYPPZIMEGLE-UHFFFAOYSA-N 262.349 3.536 0 40 CHAB COc1cc2ccccc2cc1C(=O)NCCC(C)C 3549751 KMXTULHHVYYWGC-UHFFFAOYSA-N 271.360 3.624 0 40 CHAB Cc1[nH]c2ccccc2c1[C@@H](CN)c1ccccc1 11919583 GSGJVAPSKPIZOX-HNNXBMFYSA-N 250.345 3.567 0 40 CHAB COc1ccc(CN[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 102377079 MNGASJXVAKILMO-VWNJHIHFSA-N 259.393 3.610 0 40 CHAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1F 67786951 KGJYPRLPXIEJNJ-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB CNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100872790 QJJHVTCDNCFOQD-QAQJPARQSA-N 283.415 3.579 0 40 CHAB Cc1ccccc1Nc1nc(C)c(CCC(C)C)c(=O)[nH]1 9009911 KIVFUIWQSXDLSD-UHFFFAOYSA-N 285.391 3.719 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53357824 LBRUODHYZOIDPT-XJKSGUPXSA-N 295.386 3.583 0 40 CHAB C[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1 22427370 BIYGAZGMCSFDLI-HNNXBMFYSA-N 294.398 3.779 0 40 CHAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 9816723 ZYEVTIJHLYYFOQ-CQSZACIVSA-N 299.370 3.800 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1ccccc1Cl 12599168 QUUCMDABCXELJR-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB CCCCC[C@@H](C)NC(=O)[C@@]1(C)CC1(Cl)Cl 55544629 KNPHRJNMNATWDE-MWLCHTKSSA-N 266.212 3.655 0 40 CHAB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1C1CCCC1 408786675 LYZXYHJOOAGYDN-MDWZMJQESA-N 290.388 3.544 0 40 CHAB c1ccc(NC2=NN=C(c3ccccc3)CS2)cc1 13739219 MRECSZYJYCCRST-UHFFFAOYSA-N 267.357 3.606 0 40 CHAB CCCCc1cc2cc(C(=O)O)ccc2nc1Cl 4547020 PMBQEMKCWXNBDC-UHFFFAOYSA-N 263.724 3.929 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 15554674 DGMPOQPBSJJMFW-CJNGLKHVSA-N 295.386 3.583 0 40 CHAB Cc1ccc(F)cc1NCc1cnoc1-c1ccco1 97021086 UTZSODRXXUBHNV-UHFFFAOYSA-N 272.279 3.994 0 40 CHAB CO[C@H](C)c1cccc(N[C@@H]2C[C@@H](C)N(C)C[C@H]2C)c1 97045952 UIHKEERKLQQKBS-VMUDFCTBSA-N 276.424 3.535 0 40 CHAB CC(C)CO[C@@H]1C[C@H](OC(=O)[C@H]2CC=CCC2)C1(C)C 84544338 NUZJKHWOGZJRMY-ZNMIVQPWSA-N 280.408 3.726 0 40 CHAB CCN(C(=O)Nc1ccccc1OC)[C@@H](C)c1ccncc1 75110097 PPEXLQDAIADMDM-ZDUSSCGKSA-N 299.374 3.705 0 40 CHAB Cc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72211273 MVUWMNUUVCCXMY-QGZVFWFLSA-N 280.371 3.757 0 40 CHAB CC(C)(C)OC(=O)Nc1noc2cccc(Cl)c12 72209004 XMSRSBGDDOEWSZ-UHFFFAOYSA-N 268.700 3.828 0 40 CHAB CCC(C)(C)NC(=O)c1csc2c1CC[C@H](C)C2 36719042 SXVMTMVICCDBTM-JTQLQIEISA-N 265.422 3.791 0 40 CHAB CCOC(=O)/C=C(/C)Nc1cc2c(cc1C)cc(C)n2C 66087572 NMIGOVVCZFAZNR-WQLSENKSSA-N 286.375 3.674 0 40 CHAB COc1ccc(C(=O)c2cc(C)c(C)cc2C)cc1 39205415 CGZMEGDMNFCMOL-UHFFFAOYSA-N 254.329 3.851 0 40 CHAB Cc1nc(N2CCCc3ccccc32)ccc1[C@H](C)O 72224959 FRQNNBRWQWXFIX-ZDUSSCGKSA-N 268.360 3.528 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1OC 33565566 ZEHSUXKKOLZAOZ-INIZCTEOSA-N 299.370 3.800 0 40 CHAB C[C@H]1C[C@@H](Nc2ccccc2C[S@](C)=O)CC[C@H]1C 134852849 XWSFVTKYFIVRCA-QUHUKJRKSA-N 279.449 3.802 0 40 CHAB CCc1nnc(SCc2ccc3ccccc3c2)[nH]1 193042574 JHYIVNQFVWMZKT-UHFFFAOYSA-N 269.373 3.813 0 40 CHAB COc1ccccc1C(=O)c1ccc(SC)cc1 43209727 UAYOKDCLJWDOMW-UHFFFAOYSA-N 258.342 3.648 0 40 CHAB Fc1cc(Br)cnc1NCc1ccccc1 228872013 ZKFVEKUMGDIEJS-UHFFFAOYSA-N 281.128 3.595 0 40 CHAB CCOc1ccc(-c2cnc(N)n2C[C@@H](C)CC)cc1 199414303 YJSIYLYLEDXLTN-LBPRGKRZSA-N 273.380 3.577 0 40 CHAB O=C(CCCOc1ccc(F)cc1)Oc1ccc(F)cc1 94992610 VVKDTRUWPOELQZ-UHFFFAOYSA-N 292.281 3.729 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(F)c1 95116653 BITLDMURAACAMS-CQSZACIVSA-N 288.347 3.585 0 40 CHAB CCN(Cc1ccccc1)C(=O)c1ccc(C)cc1C 96572747 QTUWFLWKXIWGEE-UHFFFAOYSA-N 267.372 3.966 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)c(C)c2)cc1 95916506 CQVNQQARERVIEQ-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB Cc1cc(C[S@@](=O)Cc2ccc(C(C)(C)C)cc2)on1 71859036 QDBAKAWMYTXBBS-HXUWFJFHSA-N 291.416 3.729 0 40 CHAB CS[C@H]1CC[C@H](N(C)Cc2ncc(C(C)(C)C)o2)C1 75920946 NMNCZIMFJFKNIZ-RYUDHWBXSA-N 282.453 3.688 0 40 CHAB CC(F)(F)COc1ccccc1NCC(F)(F)F 1083810992 JSFOPACMVCIRSV-UHFFFAOYSA-N 269.213 3.695 0 40 CHAB O=C(NCC1=CCCCC1)c1ccccc1Br 223460465 XWAUTJCRWIJIOB-UHFFFAOYSA-N 294.192 3.679 0 40 CHAB CCSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 5953861 GJGHKCQXGCBJHG-UHFFFAOYSA-N 264.394 3.649 0 40 CHAB CCc1ccccc1NC(=O)CCc1ccc(F)cc1 18119030 WDMBMCYDILTPDA-UHFFFAOYSA-N 271.335 3.959 0 40 CHAB O=C(O)/C(=C\c1ccc(Cl)cc1)c1ccccc1 1593409 VRWKAXRIXMCDDY-UVTDQMKNSA-N 258.704 3.965 0 40 CHAB CC(C)(C)c1n[nH]c2cc(-c3ccccn3)ccc12 1888890419 BAEIDKCKIRPGKR-UHFFFAOYSA-N 251.333 3.922 0 40 CHAB Cc1cc(C)n(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)n1 34691 UIFNZABODPAWGD-MWLCHTKSSA-N 287.190 3.731 0 40 CHAB CC[C@@H](C(=O)c1ccccc1OC(C)=O)c1ccccc1 575361778 LFBDWPIVZAAIBR-OAHLLOKOSA-N 282.339 3.988 0 40 CHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(F)cc1 5516904 VEVYGGSPAKWWOQ-UHFFFAOYSA-N 293.301 3.535 0 40 CHAB CC(C)c1ccc(CNC[C@H](O)c2ccccc2)cc1 20028142 ABAYPBNJVATNDZ-SFHVURJKSA-N 269.388 3.633 0 40 CHAB S=c1oc(-c2ccccc2)nn1CNc1ccccc1 329455 BPTWAJOPJFCROM-UHFFFAOYSA-N 283.356 3.942 0 40 CHAB Cc1cc2n(n1)[C@H](c1cccnc1)Nc1c(C)cccc1-2 818113 XAHQOHCUTQZIRV-QGZVFWFLSA-N 276.343 3.534 0 40 CHAB O=C(S[C@H](O)c1ccc(Cl)cc1)c1ccccc1 1563822 IBAVVKIKJIGYEX-AWEZNQCLSA-N 278.760 3.905 0 40 CHAB COC(=O)C1c2cc(C)ccc2-c2ccc(C)cc21 1600003 NLDZDTOYANBSHH-UHFFFAOYSA-N 252.313 3.589 0 40 CHAB Clc1ccc([C@@H]2CN(Cc3ccccc3)CCO2)cc1 52247610 OZJWODSNEWNWOV-KRWDZBQOSA-N 287.790 3.914 0 40 CHAB Fc1cc(F)c2nc(N3CCCCC3)sc2c1 4111286 NLBLRCLSDQQTTE-UHFFFAOYSA-N 254.305 3.565 0 40 CHAB CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 2652495 GLNHXPGCKTWAHK-UHFFFAOYSA-N 274.751 3.658 0 40 CHAB O=C(Nc1cc(F)ccc1F)Nc1cc(F)ccc1F 32933452 XFEDGWRRXUQMQA-UHFFFAOYSA-N 284.212 3.887 0 40 CHAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)C2 8612981 DVMAUGGKVWJBDV-HILJTLORSA-N 272.388 3.609 0 40 CHAB COc1cccc(C=O)c1Nc1ccccc1Cl 8732588 WYYXMXVFXNUYGY-UHFFFAOYSA-N 261.708 3.905 0 40 CHAB O=C1OC(c2ccco2)=N/C1=C\c1ccc2ccccc2c1 523938 QWUOZGIAUCRMQS-PTNGSMBKSA-N 289.290 3.777 0 40 CHAB C1CCCN(C2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)CC1 100861238 XCZBNZIWHQGJOM-NUJGCVRESA-N 276.468 3.515 0 40 CHAB CCCCCOc1ccc(C(=O)c2ccccn2)cc1 43210486 AVYFXJOUDYOOEV-UHFFFAOYSA-N 269.344 3.882 0 40 CHAB CCOC(OCC)c1ccc(F)cc1Br 76818248 DHPSVWWHCBZFLP-UHFFFAOYSA-N 277.133 3.660 0 40 CHAB BrC1=C[C@H]2[C@H]1[C@@H]1C=C[C@H]2c2ccccc21 104134112 NPPNDZKDSHBZLV-FMCLSXCISA-N 259.146 3.962 0 40 CHAB Cc1ccc(COC(=O)c2ccc3ncsc3c2)cc1 3292807 KUOSQSADWPRDQT-UHFFFAOYSA-N 283.352 3.962 0 40 CHAB Cc1nc(NC2CCCCCCC2)sc1C(=O)O 20156585 WMLTWGGYINFAOW-UHFFFAOYSA-N 268.382 3.675 0 40 CHAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(=O)[nH]c1 7669069 CLDMOOIHKSYNMO-UHFFFAOYSA-N 298.386 3.874 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)c(C)s2)cc1 13015278 LSZALCNHLCRWIN-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB COc1ccc(-c2nc(NC(=O)C(C)C)sc2C)cc1 4279328 UPGSQUFGZQYNPU-UHFFFAOYSA-N 290.388 3.722 0 40 CHAB COc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1OC 5127690 OMGOUGHPXDBAAO-UHFFFAOYSA-N 288.734 3.901 0 40 CHAB O=C(COc1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 6378296 OQNSTJQUDFEJBH-UHFFFAOYSA-N 297.688 3.636 0 40 CHAB C[C@H](Sc1nncs1)c1nnc(-c2cccs2)o1 14169024 WOPFUWYSJBQHLA-LURJTMIESA-N 296.402 3.503 0 40 CHAB Cc1nc(-c2cccc3ccccc23)ccc1C(=O)O 4568138 RZHLUXJQHNTKLI-UHFFFAOYSA-N 263.296 3.908 0 40 CHAB Cc1cccc(C)c1NC(=O)Cc1c[nH]c2ccccc12 6558812 OPTJFWICBVXDLD-UHFFFAOYSA-N 278.355 3.966 0 40 CHAB CCCCOCCCNC(=O)c1ccccc1SCC 4649093 WEDSDCSNBDOWOK-UHFFFAOYSA-N 295.448 3.735 0 40 CHAB O=c1cc(-c2ccccc2)[nH]c2ccc(Cl)cc12 8700567 QKTGFMIEELHDSD-UHFFFAOYSA-N 255.704 3.849 0 40 CHAB CC(C)NC1=NN=C(c2cccc3ccccc23)CS1 8943873 GKPYLIXXJSMCJT-UHFFFAOYSA-N 283.400 3.645 0 40 CHAB Cc1ccc(NC(=O)CCc2ccc3c(c2)CCO3)cc1 71415925 LHUXLGDEMMRXCE-UHFFFAOYSA-N 281.355 3.501 0 40 CHAB Oc1ccc(-c2csc(COc3ccccc3)n2)c(O)c1 9530716 ITIIVXZFUZSNPM-UHFFFAOYSA-N 299.351 3.800 0 40 CHAB CC(C)[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCC1 79494654 SVROANMTKHMAIA-LBPRGKRZSA-N 295.408 3.736 0 40 CHAB O=C(Cc1cccc2cccnc12)Nc1ccccc1F 32874038 CMOZINYRMGIASX-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB Cc1ccccc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 32828115 HSVKRGXANMBKNL-UHFFFAOYSA-N 277.327 3.637 0 40 CHAB CCCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 521393997 BOTQHVRHEZGMKN-UHFFFAOYSA-N 283.327 3.590 0 40 CHAB COc1ccc(CN2CCCC[C@H]2c2ccnc(C)n2)cc1 72379983 VOGIJMSMTGLQJK-SFHVURJKSA-N 297.402 3.521 0 40 CHAB CC[C@H](C(=O)O)N1c2c(C)cccc2C(C)=CC1(C)C 223196627 LKBABKVWGFABPK-CQSZACIVSA-N 273.376 3.860 0 40 CHAB O=C(c1ncoc1-c1ccccc1Cl)N1CCCCC1 89821240 VPFQITNKBGVFGI-UHFFFAOYSA-N 290.750 3.621 0 40 CHAB CCc1ccc(CNC(=O)Nc2ccccc2OC)cc1 44845602 UDOYYWVSECYKSO-UHFFFAOYSA-N 284.359 3.579 0 40 CHAB CC[C@@H](NC(=O)c1ccc(OC)c(C)c1)c1ccccc1 225795829 YTRQBVNKUIQYIT-MRXNPFEDSA-N 283.371 3.885 0 40 CHAB CCCc1nc(-c2ccccc2)ccc1C(=O)OCC 96875467 RHKIJKQMGDCJEQ-UHFFFAOYSA-N 269.344 3.878 0 40 CHAB Cc1cc(Br)cc(C)c1O[C@@H]1CCCCO1 95095303 MXBGAOAPILJORB-GFCCVEGCSA-N 285.181 3.971 0 40 CHAB CCCSc1nc(-c2ccccc2Cl)n[nH]1 95116153 FLJYNOFIQHIBIP-UHFFFAOYSA-N 253.758 3.627 0 40 CHAB CCCCn1nc(NC(C)=O)c2cc3ccc(C)cc3nc21 17209355 YXHFVDFWMXQUIE-UHFFFAOYSA-N 296.374 3.651 0 40 CHAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCCCC4)cc3c2C1 17305555 FPJGPWAXERGPQC-ZDUSSCGKSA-N 296.414 3.919 0 40 CHAB CCN(C(=O)c1cc2nc(C)ccc2o1)c1ccccc1 8793816 CDYNXBRMMNHYEK-UHFFFAOYSA-N 280.327 3.803 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1CCCCOc1cccc(C=O)c1 217794935 DMMOKWRPHDEISO-HZPDHXFCSA-N 289.419 3.921 0 40 CHAB CCOc1ccccc1NCCOc1ccc(OC)cc1 40005418 LYUGLVMCCCZDMM-UHFFFAOYSA-N 287.359 3.585 0 40 CHAB CC(C)[C@H](C)NC(=O)Nc1cccc(Br)c1 40023866 JFMPNGJQZYUWOD-VIFPVBQESA-N 285.185 3.615 0 40 CHAB CN(C(=O)c1cc(-c2cccs2)on1)c1ccccc1 20851160 YUJARGFTNRLXIP-UHFFFAOYSA-N 284.340 3.680 0 40 CHAB O=C(c1ccc(CN2CCC2)cc1)C1CCCCC1 2514650 GZEKLDPISHKODV-UHFFFAOYSA-N 257.377 3.655 0 40 CHAB Cc1nc2cc(NC(=O)CCNc3ccccc3)ccc2o1 32451756 ZAGQWWNTOYKBKL-UHFFFAOYSA-N 295.342 3.577 0 40 CHAB COC(=O)c1cccc2c1N[C@H]1C[C@@H](C)CC[C@H]1C2(C)C 1057563 LEVRTGSAASAKJI-LNSITVRQSA-N 287.403 3.981 0 40 CHAB CCC(=O)O[C@@H](C)COc1ccc([C@@H](C)CC)cc1 1583905 CFRSYUAGQLXQKM-STQMWFEESA-N 264.365 3.921 0 40 CHAB O=CNc1ccc2c(c1)Cc1cc(Br)ccc1-2 1609848 NNRMOJWWDBFZAS-UHFFFAOYSA-N 288.144 3.589 0 40 CHAB COc1cc(-c2cc(=O)c3ccc(C)c(C)c3o2)ccc1O 41195133 VUQDFZVRWABAIN-UHFFFAOYSA-N 296.322 3.791 0 40 CHAB CCCNCc1ccc(OCc2ccccc2)cc1 6430943 NZDJNTIBTNRFDT-UHFFFAOYSA-N 255.361 3.765 0 40 CHAB CC(C)OC(=O)c1ccc(NC(=O)c2ccccc2)cc1 482162 QYHMIQPMEVRZSN-UHFFFAOYSA-N 283.327 3.504 0 40 CHAB CN[C@@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 100262095 TYGZLRGXVVMQMY-HPCHECBXSA-N 286.257 3.718 0 40 CHAB O=S(=O)(C1=C[C@@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2)c1ccccc1 104292882 GAWUOEBTRWCIMM-CXTNEJHOSA-N 298.407 3.720 0 40 CHAB Cc1ncc(CN(C)Cc2ncc(-c3ccccc3)o2)s1 47259524 BJICMCQROPBWRE-UHFFFAOYSA-N 299.399 3.739 0 40 CHAB COc1cccc(C(=O)c2c[nH]c3ccc(F)cc23)c1 111683041 USBPYNMGZOYXSM-UHFFFAOYSA-N 269.275 3.547 0 40 CHAB C[C@H](NCc1sccc1Br)c1ccccn1 43674940 LBSSPIRKEKQACC-VIFPVBQESA-N 297.221 3.756 0 40 CHAB Cc1noc(-c2ccccc2)c1C(=O)Nc1ccccc1 35671362 GEXUGQJZMUBAKE-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB COc1cc(OC)cc(C(=O)Oc2ccccc2Cl)c1 3248132 GGFONQWNRDQVIM-UHFFFAOYSA-N 292.718 3.576 0 40 CHAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2N)cc1 22214591 CHSPUERZMZPUTL-UHFFFAOYSA-N 298.386 3.584 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1cc(F)ccc1F 22560015 OQCFZNDHSYKNHA-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CCC[C@@H](C)NC(=O)c1c2c(nc3ccccc13)CCC2 3330497 WDWPJICBOKQJCK-GFCCVEGCSA-N 282.387 3.642 0 40 CHAB Cc1ccc(NC(=O)CNc2ccc(Cl)cc2F)cc1 3398435 WINJQDKYWFYPSX-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB Cc1noc([C@@H](C)Sc2nc3ccc(Cl)cc3[nH]2)n1 12824903 OMSMHRDYEWKVLL-ZCFIWIBFSA-N 294.767 3.761 0 40 CHAB Oc1nc(-c2ccccn2)nc2c1sc1ccccc12 49068725 ALFAOHUTKFMVBY-UHFFFAOYSA-N 279.324 3.612 0 40 CHAB C[C@H](NC(=O)Nc1ccccc1Cl)c1ccccn1 13331910 CMLBVEAVYWNEGR-JTQLQIEISA-N 275.739 3.618 0 40 CHAB CC(C)(C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 4072159 GZLQYQTWHYJECP-UHFFFAOYSA-N 295.795 3.843 0 40 CHAB Cc1ccc(NCc2cc3ccccc3[nH]c2=O)c(C)c1 5025580 AMRFUVFRNQOSAY-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(O)c1 5066026 RPBRCSLXSXCFOW-UHFFFAOYSA-N 295.260 3.972 0 40 CHAB FC(F)(F)c1ccc(-c2noc(-c3ccncc3)n2)cc1 4548551 LOCVEPTVUXCIGC-UHFFFAOYSA-N 291.232 3.817 0 40 CHAB CCCCC(=O)Nc1cccc(NC(=O)CCC)c1 4672683 FRQAXNMCUARGCQ-UHFFFAOYSA-N 262.353 3.554 0 40 CHAB CCc1ccc2c(c1)S(=O)(=O)c1c(C)cc(C)cc1C2 18194793 QJLQJLQCOMSROZ-UHFFFAOYSA-N 286.396 3.603 0 40 CHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccs1 14790085 LRURDQBHKSXHDA-UHFFFAOYSA-N 285.290 3.697 0 40 CHAB CCn1c(COc2cccc(OC)c2)nc2ccccc21 6753112 SBNZBTDLIGTTHA-UHFFFAOYSA-N 282.343 3.644 0 40 CHAB CC[C@@H]1CN(C(=O)c2ccoc2)CC[C@H]1c1ccccc1 80451544 KTNIWYCSNYMVNY-RHSMWYFYSA-N 283.371 3.936 0 40 CHAB CC(C)(C)OC(=O)N1CCC(COc2ccccc2)CC1 80637019 OSJBTRFDXUFYFO-UHFFFAOYSA-N 291.391 3.713 0 40 CHAB COc1ccc(C(C)(C)c2ccc(C(=O)O)cc2)cc1 9195331 JBLPGSOEBQSFLJ-UHFFFAOYSA-N 270.328 3.719 0 40 CHAB Cc1ccc(C(=O)Nc2cc(F)ccc2F)s1 9155891 UYJFDGINAISBII-UHFFFAOYSA-N 253.273 3.587 0 40 CHAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccnc1 9220874 DFABYNMVAZTDRN-UHFFFAOYSA-N 295.795 3.851 0 40 CHAB CC(=O)Nc1cccc(N[C@H](C)c2cnn(C(C)C)c2)c1 97037052 YGMQUSAGFAHFSK-GFCCVEGCSA-N 286.379 3.596 0 40 CHAB CCCCC[C@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1 9483495 SKOJEOOFUHSXJW-LBPRGKRZSA-N 288.391 3.875 0 40 CHAB Cc1ccnn1-c1ccc(C(=O)N2CCCCCCC2)cc1 9452431 FJSUITYVVZQWNR-UHFFFAOYSA-N 297.402 3.587 0 40 CHAB C=CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 83851934 MARNNOAXGFTKOX-UHFFFAOYSA-N 294.070 3.592 0 40 CHAB CC(C)(C)c1ccc([C@H]2CCCN2C(=O)NC2CC2)cc1 84284317 UNJDXWSUWVZYDR-MRXNPFEDSA-N 286.419 3.993 0 40 CHAB COc1c(Cl)cccc1NCc1csc(C)n1 86203269 VGVWCIBOMYDBFN-UHFFFAOYSA-N 268.769 3.726 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccc(F)cc1F 60613034 OHXFJIVXEGTLON-NSHDSACASA-N 269.335 3.911 0 40 CHAB CNC[C@H]1C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 70453169 HSFKHCXRMWCJII-BDAKNGLRSA-N 263.690 3.682 0 40 CHAB CCc1ccc(-c2nc3cc(C)cc(N)c3o2)cc1 70461422 CWKRPBCHKGWXTH-UHFFFAOYSA-N 252.317 3.948 0 40 CHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCNC2)n1 72354410 INZUIESASHMERN-INIZCTEOSA-N 284.378 3.587 0 40 CHAB CCCOc1cccc(/C=C2\SC(=S)N=C2O)c1 47080608 SWRKESCJWATMIJ-FLIBITNWSA-N 279.386 3.805 0 40 CHAB CCCOC1(C(=O)Nc2ccc(OCC)cc2)CCCC1 225654099 UGWUUUMBHRZLDV-UHFFFAOYSA-N 291.391 3.763 0 40 CHAB c1ccc(COCCOc2ccc3[nH]ccc3c2)cc1 137249527 ONVWMJXMIRWBOW-UHFFFAOYSA-N 267.328 3.764 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccccc2Cl)c1 43210125 RLARQHZLNLKCPR-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB Cc1ccc([C@@H]2CCCCCN2C(=O)C[C@@H]2CCCO2)o1 98012612 KPSCBUUTVIGIBQ-GJZGRUSLSA-N 291.391 3.601 0 40 CHAB O=Cc1ccc(-c2ccccc2)cc1Br 91365435 ZSBBCCLFWAMIEJ-UHFFFAOYSA-N 261.118 3.929 0 40 CHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)c2ccccc2)cc1 96318512 DCKHRVCFXAXECL-CYBMUJFWSA-N 297.354 3.606 0 40 CHAB C/C=C/C(=O)Nc1ccc(SCC)c(Cl)c1 255187565 FJOZSISKMVZFQG-HWKANZROSA-N 255.770 3.967 0 40 CHAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(F)s1 252492146 MEEHIOAOYPTFDN-UHFFFAOYSA-N 299.392 3.811 0 40 CHAB CN(C)[C@@H](CC1CC1)C1(c2ccc(F)cc2)CCC1 575410804 JQCWBACQDCWDHQ-INIZCTEOSA-N 261.384 3.978 0 40 CHAB COC(=O)c1[nH]ccc1-c1ccc(Cl)cc1Cl 1772714906 GIFFTGUERRSJMC-UHFFFAOYSA-N 270.115 3.775 0 40 CHAB Cc1cc(C)cc(OCc2ccc(C(=O)O)cc2)c1 5592302 RTAABVPKNHSFBK-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB Cc1ccc(/C=C/C(=O)NC[C@@H](C)c2ccccc2)cc1 8168704 SUUMVACXOUXQJA-CJTWTEFWSA-N 279.383 3.928 0 40 CHAB O=C1O[C@@H](c2ccc(F)cc2)C=C1Nc1cccc(F)c1 100326558 KMFLDPJWZWNBAA-OAHLLOKOSA-N 287.265 3.559 0 40 CHAB Oc1ccc([C@](O)(Cc2ccccc2)c2ccccc2)cc1 2389568 LQDKHIMEMDNRPO-FQEVSTJZSA-N 290.362 3.871 0 40 CHAB in-vitro CCOCCCNCc1ccc(-c2ccccc2)cc1 8253193 HCZBIGLPWDPMBM-UHFFFAOYSA-N 269.388 3.870 0 40 CHAB Cc1cc(C)c(C(=O)Nc2cccc(F)c2)c(Cl)n1 39050 YUAJCSVZQIHMDJ-UHFFFAOYSA-N 278.714 3.743 0 40 CHAB CC(C)n1c(SCC2CCC2)nc2ccsc2c1=O 1775967865 FDGFKHCPOVHOTR-UHFFFAOYSA-N 294.445 3.931 0 40 CHAB C[C@H]1C[C@@H](C)CN(CCCCOc2ccccc2C=O)C1 217796519 CEXLILJLAPBTAC-IYBDPMFKSA-N 289.419 3.636 0 40 CHAB C[C@@H](NC(=O)c1cccnc1S)c1ccc(Cl)s1 30015782 VKPSZJFWBMMZPU-SSDOTTSWSA-N 298.820 3.576 0 40 CHAB CC(C)OCCCNC(=O)C1CCC(C(C)(C)C)CC1 40161079 ORJZPMXPELICRF-UHFFFAOYSA-N 283.456 3.770 0 40 CHAB C=CC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 24157 ZSSNFVUCVKVMEC-UHFFFAOYSA-N 269.300 3.612 0 40 CHAB O=C(NCCc1ccc(F)cc1)Nc1ccc2c(c1)CCC2 20457688 RCBZUKGKGVAVLR-UHFFFAOYSA-N 298.361 3.679 0 40 CHAB COc1cccc(C(=O)CCc2ccccc2OC)c1 2516445 NRLMPROALFTGMK-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 364961 FNTGQGRATKJMQC-JKSUJKDBSA-N 297.398 3.948 0 40 CHAB COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 1628197 PHIYOIHJCBWXTI-UHFFFAOYSA-N 277.323 3.997 0 40 CHAB Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1C 3306654 GQLUIVBPEDZZHT-UHFFFAOYSA-N 295.448 3.695 0 40 CHAB CN(C(=O)CSc1ccccc1)C1CCCCC1 10231556 JHXARKCOZYIJMD-UHFFFAOYSA-N 263.406 3.570 0 40 CHAB O=C(CCc1ccccc1F)N[C@@H]1CCCc2ccccc21 8269079 VKAJSIIGXIBXLE-GOSISDBHSA-N 297.373 3.952 0 40 CHAB O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCCC1 59843416 IHYXMTBFASDDMV-UHFFFAOYSA-N 275.735 3.836 0 40 CHAB CSCc1cccc(C(=O)N[C@H]2CCCC[C@H]2C)c1 21875609 WPIXYKQRFYSUGQ-DOMZBBRYSA-N 277.433 3.858 0 40 CHAB CCOc1ccc(C(=S)N2CCCCCC2)cc1 9190091 KSLKLNFQDQWSGO-UHFFFAOYSA-N 263.406 3.637 0 40 CHAB CN(C)c1ccc(NC(=O)NC2CCCCC2)cc1Cl 58010445 VEQUQFLAWDCFMH-UHFFFAOYSA-N 295.814 3.860 0 40 CHAB CCOc1ccccc1NC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2 100234612 AIWJTJUBCUJDJF-BZPMIXESSA-N 290.432 3.560 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccncc2C)C1(C)C 107294407 HVLRYQRUCQZFFB-JSGCOSHPSA-N 258.365 3.567 0 40 CHAB O=C(O)[C@H]1CCCN1Cc1sc2ccccc2c1Cl 35303583 CMSFHUJUADFAIG-SNVBAGLBSA-N 295.791 3.604 0 40 CHAB CC(C)(C)NC(=O)c1cccnc1Sc1ccccc1 3341570 LHONGHLAYLYYIK-UHFFFAOYSA-N 286.400 3.761 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1cc(F)ccc1F 22561237 SZWYVPQXIAXVAO-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB O=C(O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1 36173455 CJNSEIUQORLUMK-LBPRGKRZSA-N 262.255 3.571 0 40 CHAB Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)CC(C)(C)C2 10338871 SHHVTGNUGXUBKP-UHFFFAOYSA-N 288.778 3.989 0 40 CHAB Cn1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)n1 12798967 NPBWIUZIICISJQ-UHFFFAOYSA-N 283.375 3.720 0 40 CHAB CCCOc1ccc2cc(C(=O)c3ccc[nH]3)oc2c1 12808495 KRALBWHEXRDZRK-UHFFFAOYSA-N 269.300 3.781 0 40 CHAB C[C@H]1CCc2c(sc3ncnc(NCC4CC4)c23)C1 12894210 NAVYPAYRQMOQRJ-VIFPVBQESA-N 273.405 3.638 0 40 CHAB CCOc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1 3482929 LBASGHWNTPNNDC-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CC=CCC1 12977147 GMMKBZJUQCOOMX-OCCSQVGLSA-N 275.417 3.940 0 40 CHAB C[C@H](N)c1nc(-c2ccc(Br)cc2)cs1 3708666 KUWRUGPKOMAJOU-ZETCQYMHSA-N 283.194 3.592 0 40 CHAB Cc1ccc(NC(=O)CC2(C(=O)O)CCCCC2)c(C)c1 8922293 XMUJQSHPVVOESD-UHFFFAOYSA-N 289.375 3.667 0 40 CHAB O=C(Nc1cccc2cccnc12)c1ccc2c(c1)CCC2 8344623 JSMRCSTXRABUDQ-UHFFFAOYSA-N 288.350 3.976 0 40 CHAB CCOC(=O)C(C)(C)Oc1cccc(Cl)c1Cl 17007682 CVXFVBGOGGACSM-UHFFFAOYSA-N 277.147 3.714 0 40 CHAB O=C(NCc1ccc(Cl)cc1)C1(c2ccccc2)CC1 6079063 WWYRRJFIDLLNBR-UHFFFAOYSA-N 285.774 3.688 0 40 CHAB CC[C@H](C)NC(=O)NC1CCC(C(C)(C)C)CC1 13746337 GEMXCLBRSMZYOG-HIFPTAJRSA-N 254.418 3.689 0 40 CHAB Cc1cc2ncc3c(n2n1)/C(=C/c1ccccc1)CCC3 5445444 CDYCCLKFTYEOEX-RVDMUPIBSA-N 275.355 3.915 0 40 CHAB CCCOc1ccc(-c2cnc3n2CCCC3)cc1 26506717 KPHWMVDOFVXUEL-UHFFFAOYSA-N 256.349 3.675 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(N)ccc1C 19736083 WUFMKHBACSTNMJ-MRXNPFEDSA-N 298.386 3.682 0 40 CHAB CSCC(=O)Nc1ccccc1Oc1ccccc1 9512477 CBOPWMZHUSPSGW-UHFFFAOYSA-N 273.357 3.780 0 40 CHAB Cc1n[nH]cc1CN[C@H](Cc1ccccc1)c1ccccc1 97159087 QDZPGDADJZAIOO-LJQANCHMSA-N 291.398 3.792 0 40 CHAB CC(C)[C@@H](C)CC(=O)N(C)[C@@H](C)c1cccc(O)c1 84409791 IIYWBTYKMAHLRR-STQMWFEESA-N 263.381 3.594 0 40 CHAB CCc1ncc(CNc2cc(CN(C)C)ccc2C)s1 95429321 OHQIQOLZSYHNHY-UHFFFAOYSA-N 289.448 3.688 0 40 CHAB CC(C)(C)[S@@](=O)CCNCc1cc2ccccc2s1 89694431 CDANTVKBPHSEGB-LJQANCHMSA-N 295.473 3.538 0 40 CHAB CC[C@@H](C)NC(=O)N(C)CCc1cccc2ccccc12 89942296 VCIDERZEFMOIBA-CQSZACIVSA-N 284.403 3.822 0 40 CHAB CC(C)(C)CC(C)(C)NC(=O)NC(=S)c1ccccc1 408731498 LCRLCGAZMOENSX-UHFFFAOYSA-N 292.448 3.876 0 40 CHAB Cc1cncc(CN2CCC(OCc3ccccc3)CC2)c1 189752591 VGVWZKARZNEHBF-UHFFFAOYSA-N 296.414 3.571 0 40 CHAB CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)OC)cc1 33605204 KHDNBLKBTBOSDJ-CYBMUJFWSA-N 292.375 3.846 0 40 CHAB CN(C(=O)CCSCc1ccccc1)C1CCCC1 30754012 SHWZEIUOXCSMDB-UHFFFAOYSA-N 277.433 3.711 0 40 CHAB COC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCCC1 185028284 DGWLZUMLDMNASO-UHFFFAOYSA-N 291.391 3.762 0 40 CHAB O=Cc1ccccc1OCCCCN1CCCCCC1 217796332 OKHMAZNNAGRJTG-UHFFFAOYSA-N 275.392 3.534 0 40 CHAB O=C(Nc1cccc(Oc2ncccn2)c1)[C@H]1CC=CCC1 32027240 YCXFKJIGMQODJF-ZDUSSCGKSA-N 295.342 3.564 0 40 CHAB CCc1ccc(-c2cc(C3(C(=O)O)CCCC3)no2)cc1 72220615 MFYPGBSKEKMUQX-UHFFFAOYSA-N 285.343 3.800 0 40 CHAB CCOc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 44845301 GBQNZZUBRAXPTA-UHFFFAOYSA-N 288.322 3.546 0 40 CHAB Cc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)nc1 225516405 OKNDZCNUYBAWOE-AWEZNQCLSA-N 299.443 3.698 0 40 CHAB CC(C)Oc1cccc(NC(=O)Cc2ccccc2F)c1 225447446 DKBZCBPZWAJCKO-UHFFFAOYSA-N 287.334 3.794 0 40 CHAB Brc1cccc2c3c([nH]c12)CCSC3 83728998 UIJJQOWGDGWILJ-UHFFFAOYSA-N 268.179 3.720 0 40 CHAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C 225651577 OSRMLUNWGDXZNT-QGZVFWFLSA-N 293.407 3.928 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1cccc(Cl)c1 48412024 CPORDTWDQZODAN-OAHLLOKOSA-N 271.747 3.757 0 40 CHAB COC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1 82725749 BZGWUEFCUVETLA-UHFFFAOYSA-N 263.120 3.567 0 40 CHAB C[C@H](Oc1ccccc1Cl)C(=O)NCC1CCCCC1 224292821 LRFIZNLHCDPZPC-LBPRGKRZSA-N 295.810 3.804 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1)c1ccc2c(c1)CCC2 223157015 AJMHFYLFKRQMEW-HNNXBMFYSA-N 293.410 3.985 0 40 CHAB Cc1nnc([C@H](C)Oc2cc(C)c(Cl)c(C)c2)o1 98013727 JXBUJGCCRMKJRG-VIFPVBQESA-N 266.728 3.788 0 40 CHAB Cc1ccc2c(c1)OC[C@@H](c1cc(F)cc(F)c1)N2 96531354 OUZSICJFUOYNIP-AWEZNQCLSA-N 261.271 3.819 0 40 CHAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(F)cc1 96586333 KNMZIUKTXHTDFP-UHFFFAOYSA-N 299.345 3.722 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1CC[C@@H](O)C(C)(C)C 242687702 UQWKTINIAKDQEY-QWHCGFSZSA-N 285.428 3.573 0 40 CHAB O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(F)c1 30895455 LJAZBOZMDIOSSX-HNNXBMFYSA-N 283.346 3.676 0 40 CHAB CC(C)(CC(=O)O)CC(=O)c1ccc(Cl)c(F)c1 95634045 PYGZSXVMIZRSAK-UHFFFAOYSA-N 272.703 3.553 0 40 CHAB C[C@@H](CSC(C)(C)C)Nc1cccc(CO)c1 190998104 DJHRKAOURBSVLY-NSHDSACASA-N 253.411 3.511 0 40 CHAB CO[C@@H](CNc1nc2ccccc2o1)c1ccsc1 1775972801 WMXKOLARIUMXGQ-ZDUSSCGKSA-N 274.345 3.689 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c1 12598991 GZFVBOCQNDWKAN-NSHDSACASA-N 291.297 3.679 0 40 CHAB Fc1ccccc1CNC(=S)Nc1cccc(Cl)c1 13937064 FEJYHVGDZASNLU-UHFFFAOYSA-N 294.782 3.966 0 40 CHAB OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC1 165439 YAKFETHTYBAIJR-UHFFFAOYSA-N 260.283 3.611 0 40 CHAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccco1 8756895 KRYDOULNNJZFEB-CYBMUJFWSA-N 279.339 3.853 0 40 CHAB CC(C)NC(=O)NCCc1ccc(-c2cccs2)s1 1889149259 KKRAXWRAVJMXDI-UHFFFAOYSA-N 294.445 3.727 0 40 CHAB CC[C@@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1 10423655 AEWGHYFXKMJTAZ-CYBMUJFWSA-N 263.724 3.814 0 40 CHAB CCCc1nnc2sc(-c3ccc(C(C)C)cc3)nn12 15423443 UHDOGOAOZCVIHY-UHFFFAOYSA-N 286.404 3.929 0 40 CHAB Cc1nc(NC(=O)/C=C/c2c(F)cccc2F)sc1C 40130480 REKCREVOLAIBPN-VOTSOKGWSA-N 294.326 3.690 0 40 CHAB CCc1ccccc1NC(=O)[C@H](C)Oc1ccccc1 30696 XKWTZNNZSPFQRC-ZDUSSCGKSA-N 269.344 3.655 0 40 CHAB Cc1c(-c2nnc(-c3cccnc3)o2)oc2ccccc12 20717300 DBLTXUQTRBSDGX-UHFFFAOYSA-N 277.283 3.853 0 40 CHAB COc1cc(CNc2ccc(C)c(C)c2)cc2c1OCO2 292989 ARLAFBZHADCCFP-UHFFFAOYSA-N 285.343 3.653 0 40 CHAB Cc1ccccc1OC(=O)c1ccc(Br)cc1 363501 BAQANPSLAVMOTB-UHFFFAOYSA-N 291.144 3.977 0 40 CHAB COc1cc(/C=C/c2ccncc2)ccc1OC(=O)C1CC1 11858437 UZVSEGGIMFDZKS-NSCUHMNNSA-N 295.338 3.576 0 40 CHAB CCC(=O)O[C@H](C)COc1ccc([C@H](C)CC)cc1 1583902 CFRSYUAGQLXQKM-CHWSQXEVSA-N 264.365 3.921 0 40 CHAB Cc1cnc(SCc2ccc(Cl)cc2)nc1N(C)C 1679758 FOSSQGHSGOIVAU-UHFFFAOYSA-N 293.823 3.797 0 40 CHAB CC(=O)c1cc(Br)c2cccc3c2c1CC3 1723060 DLWLKJGZZLTUPZ-UHFFFAOYSA-N 275.145 3.904 0 40 CHAB CCCCOc1ccc(C(=O)CCN(CC)CC)cc1 3068311 LPKOSRPOBBYLTA-UHFFFAOYSA-N 277.408 3.780 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(O)c(C)c2C)c1 3078209 GMVUWAQEFLCABK-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB Cc1cc2cc(CNC(=O)c3ccccc3F)ccc2[nH]1 4138035 NPJVHXCKMYVLCY-UHFFFAOYSA-N 282.318 3.545 0 40 CHAB CCCc1ccc(NC(=O)COc2cccc(C)c2)cc1 7690095 WPECCBGOTFBKJY-UHFFFAOYSA-N 283.371 3.965 0 40 CHAB O=C(CCc1ccccc1F)Nc1ccccc1F 8276252 HNEKHTJSQQKQGP-UHFFFAOYSA-N 261.271 3.536 0 40 CHAB Cc1ccc(NC(=O)c2cccc(Cl)c2)c(C(=O)O)c1 21814959 SFROREOFRBHSDU-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB in-vitro Cc1ccc(NC(=O)[C@](F)(Cl)C(F)(F)F)c(C)c1 2779759 PMHCJQDDWPDISX-SNVBAGLBSA-N 283.652 3.709 0 40 CHAB Clc1cccc(Cl)c1COc1ccncc1 543061 AJAAZFRKQXONLE-UHFFFAOYSA-N 254.116 3.967 0 40 CHAB CCCc1ccc(OCc2ccc(C(=O)OC)o2)cc1 551968 AFQIYCOOSPTZMR-UHFFFAOYSA-N 274.316 3.598 0 40 CHAB CC(C)CC(=O)Nc1ccccc1N1CCCCC1 520714 VIVZYXXRYSBHSC-UHFFFAOYSA-N 260.381 3.662 0 40 CHAB COc1cc(Cl)cc(NC(=O)c2occc2C)c1OC 12274823 WECLCEPGDGZNCI-UHFFFAOYSA-N 295.722 3.511 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105667310 RDPYUJVATKZBIE-DKIMLUQUSA-N 285.431 3.950 0 40 CHAB Cc1cc(F)ccc1NC(=O)N[C@H]1CCC[C@H](C)C1 43420641 YXQYMBLCAGMOMD-GWCFXTLKSA-N 264.344 3.834 0 40 CHAB C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)Nc1ccccc1 58174539 KSUZXULANVIHLM-CQSZACIVSA-N 297.402 3.505 0 40 CHAB C[C@@H](NC(=O)CCc1ccsc1)c1ccc(F)c(F)c1 24649184 ZRUZLWIZOMDXMW-SNVBAGLBSA-N 295.354 3.836 0 40 CHAB Cc1ccc(C(=O)CCCCCCC(=O)O)cc1C 2378624 GGNRLMOGYMXCTP-UHFFFAOYSA-N 262.349 3.911 0 40 CHAB CN(CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 3417745 OFWQVYCFSPVTGM-UHFFFAOYSA-N 292.741 3.554 0 40 CHAB COc1ccc(NC(=O)Cc2ccccc2)cc1Cl 3472205 KIIZYZQQNIRMQU-UHFFFAOYSA-N 275.735 3.530 0 40 CHAB O=c1[nH]c(Nc2cccc3ccccc23)nc2ccccc12 16676176 SQFBFXLQIATXJR-UHFFFAOYSA-N 287.322 3.820 0 40 CHAB CCC(CC)NC(=O)c1oc2ccc(F)cc2c1C 8210437 PTQXFBZXZAREAC-UHFFFAOYSA-N 263.312 3.799 0 40 CHAB CC(C)=CC(=O)NCc1c(Cl)cccc1-n1cccc1 4054845 UXULGYVZMAYQSP-UHFFFAOYSA-N 288.778 3.713 0 40 CHAB Cc1cc(C(=O)Nc2ccc(C)c(F)c2)c2c(C)noc2n1 14268104 UBAPDBJSGYSICJ-UHFFFAOYSA-N 299.305 3.539 0 40 CHAB CCCCN(Cc1ccccc1)C(=O)c1ccco1 6663827 QEQWHGXDMJIIHE-UHFFFAOYSA-N 257.333 3.722 0 40 CHAB COc1ccc(C(=O)O[C@H]2CCCCC2=O)c2ccccc12 7496571 XEBRUWBYCQWDKJ-KRWDZBQOSA-N 298.338 3.517 0 40 CHAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1cccs1 15841838 TVNVJONZXLUYKO-UHFFFAOYSA-N 294.379 3.808 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N)cc1C 19736387 VAPWXNINIDLYNX-QGZVFWFLSA-N 298.386 3.682 0 40 CHAB Cc1ccc([C@@H]2CSCCN2Cc2scnc2C)o1 93819140 QHYASDZNXZEGFO-LBPRGKRZSA-N 294.445 3.643 0 40 CHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccco1 9514480 LEGDSKAHDMFJFZ-UHFFFAOYSA-N 299.349 3.511 0 40 CHAB Clc1ccccc1CNc1nc(-c2cccs2)n[nH]1 9667650 FQLFEKAXFDFQBH-UHFFFAOYSA-N 290.779 3.799 0 40 CHAB CC[C@H](NCc1ccc(C(C)C)cc1)c1cncn1C 95996307 ZRMUNANHRBLFBF-INIZCTEOSA-N 271.408 3.784 0 40 CHAB Cc1cc(Br)cc(C)c1C(=O)C(F)(F)F 308784353 FBGFVBWIEGWMDI-UHFFFAOYSA-N 281.071 3.811 0 40 CHAB Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1C 409103749 BSUYJDWBAIBDOZ-DHDCSXOGSA-N 284.384 3.727 0 40 CHAB CCOC(=O)CC[C@H](C(=O)c1ccccc1)c1ccccc1 3844234 PKHLVAWYYZWUCP-KRWDZBQOSA-N 296.366 3.996 0 40 CHAB biogenic CCCN1CC=C(c2nc3ccc(F)cc3s2)CC1 73638885 ZJKBXDFWQHSHPW-UHFFFAOYSA-N 276.380 3.935 0 40 CHAB COc1ccc(NC(=O)c2ccc[nH]c2=S)cc1Cl 30700493 OFWQIQVRAJLOQE-UHFFFAOYSA-N 294.763 3.658 0 40 CHAB Cc1occc1[S@](=O)Cc1ncc(-c2cccs2)o1 189627925 NUORPWFYHJJRBJ-LJQANCHMSA-N 293.369 3.612 0 40 CHAB Cc1cc(NC(=O)c2ccc(F)cc2)n(C2CCCC2)n1 32610342 SKEUZMIAAGCICF-UHFFFAOYSA-N 287.338 3.698 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)NC2CCCCCC2)c1C 32476884 VWHYNVPELZUUML-HNNXBMFYSA-N 289.419 3.910 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1cccs1 32747962 ZTMLAOANPVEEIE-STQMWFEESA-N 261.390 3.768 0 40 CHAB Cc1cc(F)ccc1C(=O)c1ccc(F)cc1F 62773887 UPYJIUDHUMOQCP-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Cc1cc2nc(NC[C@H]3CCCO3)sc2cc1C 42379449 JPOHPNBWWLOFCN-LLVKDONJSA-N 262.378 3.504 0 40 CHAB Cc1cccc(Nc2cc(N)nc(-c3ccccc3F)n2)c1 49467805 XMZZOMKBJYHCGD-UHFFFAOYSA-N 294.333 3.917 0 40 CHAB CCNCc1cc(C)n(Cc2ccc(Cl)cc2)c1C 223664484 OPPJUEAPYXOPGI-UHFFFAOYSA-N 276.811 3.916 0 40 CHAB Cc1cccc(CO)c1OCc1ccc(Cl)cc1 95095175 WGXVAELSCVHHBB-UHFFFAOYSA-N 262.736 3.720 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1cccc(C)c1 95115876 RNFRPMUPHJPUSP-INIZCTEOSA-N 284.384 3.754 0 40 CHAB C[C@@H]1CCC[C@H](CCN[C@@H](c2ccncc2)c2ncc[nH]2)C1 252540202 OZLFOINJYVINDS-INMHGKMJSA-N 298.434 3.700 0 40 CHAB COc1ccc(NC(=S)NC2CCCCCC2)cc1 13818402 MSCIQFRHEQPZKH-UHFFFAOYSA-N 278.421 3.704 0 40 CHAB Clc1nc(Cl)c2c(n1)[C@@H](c1ccccc1)CC2 91691398 IPFZARHKKQXZPN-SECBINFHSA-N 265.143 3.862 0 40 CHAB CCC1CCC(NC[C@H](O)c2ccc(C)cc2)CC1 95365098 ORVLGQVEUDAFFX-PREGVCBESA-N 261.409 3.587 0 40 CHAB Cc1ccc2sc(N3CC[C@@H](CF)C3)nc2c1C 1163996279 IWNNJPGNENVLML-NSHDSACASA-N 264.369 3.709 0 40 CHAB CC(C)CN(CC(=O)Nc1cccc(Cl)c1)CC(C)C 1672729 FVECHTHFSUFXBF-UHFFFAOYSA-N 296.842 3.893 0 40 CHAB Cc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)o2)cc1 5864404 OPYXIAYISFGEKG-CYBMUJFWSA-N 288.372 3.649 0 40 CHAB CC[C@@H](C)NC(=O)N[C@H](CC)c1ccc(Cl)cc1 13746444 UIVNQZUVRUOYMS-ZWNOBZJWSA-N 268.788 3.889 0 40 CHAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)NC2CCCCC2)C1 16578041 ASNMQJHTWVLBJY-YOEHRIQHSA-N 278.440 3.929 0 40 CHAB c1cnc2c(c1)CNCCCCCOc1ccccc1O2 643560667 ZDOCFQOUINCLPV-UHFFFAOYSA-N 284.359 3.526 0 40 CHAB C[C@H]1CCc2sc(C(=O)NC3CCCCC3)cc2C1 28085800 JRZURHWEHUDHMQ-NSHDSACASA-N 277.433 3.935 0 40 CHAB CC1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 13325366 DDXRWOAACVLZEY-UHFFFAOYSA-N 268.307 3.665 0 40 CHAB Cn1ccnc1Sc1ncc(C(F)(F)F)cc1Cl 40161663 CVTTVZOGZBYZFH-UHFFFAOYSA-N 293.701 3.639 0 40 CHAB Cc1ccc(OCCCCNC(=O)c2ccsc2)cc1 40122463 FUVDAPSIMMJXSQ-UHFFFAOYSA-N 289.400 3.646 0 40 CHAB Cc1ccc(OC(C)(C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 20367909 PBTKMRKQBDCHML-GASCZTMLSA-N 289.419 3.657 0 40 CHAB O=C1O[C@H](Nc2ccc3ncccc3c2)c2ccccc21 100250 GTEDHMHLVXBEGM-INIZCTEOSA-N 276.295 3.516 0 40 CHAB Clc1ccc(-c2cnc3n2CCC3)cc1Cl 245542 BTPWUBCTINWAEA-UHFFFAOYSA-N 253.132 3.803 0 40 CHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(O)cc1 319614 PWMNGETXBMRAEK-UHFFFAOYSA-N 293.322 3.806 0 40 CHAB Cc1cccc(OCCCC(=O)Nc2ncc(C)s2)c1 7800795 ALCCCKJHMCHILS-UHFFFAOYSA-N 290.388 3.558 0 40 CHAB CCOc1ccc(C(=O)c2ccc(F)cc2)cc1OCC 1456015 MZBBLTKFETWHHN-UHFFFAOYSA-N 288.318 3.854 0 40 CHAB Cc1ccccc1NCc1c(C)[nH]c2ccccc2c1=O 2706764 HBPTYGNSOZBBNY-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1cc(C)c(NC(=O)COc2ccccc2)c(Cl)c1 3515488 LBFRIEBWPPWPFS-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB COc1cc([C@@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1O 4027085 SOHWVJPJRLXISV-HZMVBMFHSA-N 288.387 3.937 0 40 CHAB biogenic Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(F)c2)c(C)c1 8041654 STLROOOWNWINAX-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB CCc1cccc(C)c1NC(=O)Cc1noc2ccccc12 8007547 AYHPYIKSDIYGGV-UHFFFAOYSA-N 294.354 3.880 0 40 CHAB CC[C@H](C)CNCc1ccccc1Br 42419221 CSENELAXHWXZNX-JTQLQIEISA-N 256.187 3.585 0 40 CHAB CNc1nc2c(s1)[C@H](c1cccc(F)c1F)CC(O)=N2 61718828 HASVUIKLUCXREU-ZETCQYMHSA-N 295.314 3.587 0 40 CHAB Cc1ccnc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 12542468 QJIJYRVDXNKGFW-UHFFFAOYSA-N 294.276 3.590 0 40 CHAB Fc1ccc(-c2ccnc(SC(F)F)n2)cc1 1386448 SBHWYXROAPNBCY-UHFFFAOYSA-N 256.252 3.597 0 40 CHAB O=C(Nc1cccc2c1CCCC2)c1ccc2[nH]cnc2c1 12525309 JUNFCSSIXSXSPC-UHFFFAOYSA-N 291.354 3.694 0 40 CHAB COCc1ccccc1CN[C@@H](C)c1ccccc1 37762681 PKKYPJZXNGODEQ-AWEZNQCLSA-N 255.361 3.684 0 40 CHAB Cc1ccc(CCCNC(=O)/C=C/c2ccc(F)cc2)cc1 10110378 WRLSRMDYDYRVGE-JLHYYAGUSA-N 297.373 3.896 0 40 CHAB Cc1nc(C)c(C(=O)N2CCc3sccc3[C@H]2C)s1 48260916 XNHLFFGDTFIDFS-SECBINFHSA-N 292.429 3.581 0 40 CHAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3ccccc3c2)no1 11038955 AHGQRFYGFHEAGY-LBPRGKRZSA-N 295.342 3.575 0 40 CHAB Cc1cccc(NC(=O)CCC(=O)c2cccs2)c1C 8207591 OHWNMHWJRGGLMP-UHFFFAOYSA-N 287.384 3.967 0 40 CHAB CN(C(=O)c1cccc2ncccc12)c1ccccc1 13002477 FUVXTDLOXJUYOU-UHFFFAOYSA-N 262.312 3.511 0 40 CHAB c1ccc2c(CSc3nncs3)cccc2c1 13000224 DGECQCNKOZJNTF-UHFFFAOYSA-N 258.371 3.984 0 40 CHAB C[C@H]1CN(C(=S)Nc2ccccc2)N(c2ccccc2)C1 13571544 RMMJZJDYJLDOHX-CQSZACIVSA-N 297.427 3.757 0 40 CHAB CC1CCN(CCOc2ccc(Br)cc2)CC1 39425331 YOXUULLSHCNAFM-UHFFFAOYSA-N 298.224 3.560 0 40 CHAB CCN(CCC(F)(F)F)C(=O)Cc1ccc(Cl)cc1 65612842 SSTOIIRUNZWBHC-UHFFFAOYSA-N 293.716 3.683 0 40 CHAB Clc1ccccc1-c1nnc(COc2ccccc2)o1 4539508 FMDOPZVZMPMJHF-UHFFFAOYSA-N 286.718 3.969 0 40 CHAB Sc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 4622382 ONHJYVSFNHWHQD-UHFFFAOYSA-N 293.804 3.938 0 40 CHAB N=C(O)c1ccccc1OC/C=C/c1ccccc1 14677093 WKIDSWOTPNGXMT-RMKNXTFCSA-N 253.301 3.662 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)NC2CCCC2)c(C)c1 6916973 XWFNYAYKUTVCEX-CYBMUJFWSA-N 277.433 3.843 0 40 CHAB CCN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 7386559 GOPXURQSSAUQLK-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)NC1CCCCCC1 18210773 YRUZPJZWEPOVNW-AWEZNQCLSA-N 275.392 3.601 0 40 CHAB Brc1ccc2c(Br)cccc2n1 26507148 ATGKTRHBSFNTPU-UHFFFAOYSA-N 286.954 3.760 0 40 CHAB Cc1cc(-c2noc(C(C)(C)c3cccnc3)n2)ccc1F 96006883 JAITUBFVILASPD-UHFFFAOYSA-N 297.333 3.905 0 40 CHAB CCc1ccccc1NC(=O)c1ccnc(Cl)c1 19813527 NYRONFDLCBLASJ-UHFFFAOYSA-N 260.724 3.550 0 40 CHAB CCCCN1C(=O)c2ccccc2[C@@H]1NCCC(C)C 9730995 SAHDIDPLTPXPDL-MRXNPFEDSA-N 274.408 3.577 0 40 CHAB Cc1cnc([C@H](NC(=O)C=C2CCCCC2)C2CC2)s1 75147745 CBWSCDLHCXBCES-OAHLLOKOSA-N 290.432 3.909 0 40 CHAB O=C(c1ccc2c3c(cccc13)CC2)[C@H](O)c1ccccc1 3844994 CUWREYKDDYJRCN-LJQANCHMSA-N 288.346 3.855 0 40 CHAB biogenic CSCC[C@@H](C)NC(=O)Nc1ccc(C)cc1C 77178190 QLCRSFWZCPWGNQ-GFCCVEGCSA-N 266.410 3.567 0 40 CHAB O=C(c1ccc(F)c(Cl)c1)c1c(F)cccc1F 70210379 FJVSOIKNSHTYKX-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB CC(C)CN1CCC[C@H]1c1ccc(NC2CCC2)nc1 72213842 LZIXCZIKSQVMAM-INIZCTEOSA-N 273.424 3.839 0 40 CHAB c1cnc2c(SCCOC[C@@H]3CCCO3)cccc2c1 78954881 KSRALRWDAWBPDR-AWEZNQCLSA-N 289.400 3.523 0 40 CHAB CCOC(=O)c1ccc(C(=O)CCc2ccc(C)cc2)cc1 43212024 IWUVPPXOEPDXIP-UHFFFAOYSA-N 296.366 3.987 0 40 CHAB COc1cc(Cc2nc3cc(C)ccc3o2)cc(OC)c1 228952220 MSSGOFDGTAEKPE-UHFFFAOYSA-N 283.327 3.744 0 40 CHAB Cc1ccc(Cl)cc1C[C@H](Oc1ccccc1)C(=O)O 225076407 KQTCOTFDHOWVKM-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB C[C@H]1C[C@@H](n2cc(C(=O)C(F)(F)F)cn2)CC[C@H]1C 85037005 XIXBRAQXQGCRHW-YWVKMMECSA-N 274.286 3.625 0 40 CHAB CCc1ccc(CC(=O)NCc2ccc(Cl)cc2)cc1 225783227 NFBWOCMIWQRWNQ-UHFFFAOYSA-N 287.790 3.761 0 40 CHAB Cc1nnc([C@H](C)N[C@H](CC(C)C)c2cccs2)o1 97373835 HKHBWAMOBRROTD-CMPLNLGQSA-N 279.409 3.878 0 40 CHAB CCO[C@@H](C)c1nc(CSC2=NCCS2)cs1 96424801 MBTZOGRXBYCVML-QMMMGPOBSA-N 288.463 3.577 0 40 CHAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@H]1CCCC1=O 93487875 BSNQLZMGLCTBIL-CHWSQXEVSA-N 281.396 3.535 0 40 CHAB Cc1cc(C(=O)[C@H]2CCCC[C@H]2C(=O)O)ccc1Cl 95634126 IXJPMLMGPPJUGB-NWDGAFQWSA-N 280.751 3.722 0 40 CHAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1 177056 GIHHWZDCEABATP-UVTDQMKNSA-N 283.714 3.685 0 40 CHAB CCCC[C@H]1[C@@H](C)C1(Br)Br 2144928 VVXFDFGQTPWSOD-RQJHMYQMSA-N 270.008 3.929 0 40 CHAB CSC1=Nc2ccccc2N=C(N2CCCC2)C1 5706905 IVMCVGIHPGDYRC-UHFFFAOYSA-N 259.378 3.609 0 40 CHAB Cc1nc(-c2cccc(C(F)(F)F)c2)sc1CO 12336284 JUQXNDWKZOIZPS-UHFFFAOYSA-N 273.279 3.630 0 40 CHAB Cc1ccc(/N=C/c2ccc(OCC(=O)O)cc2)c(C)c1 8368728 PNFMMBRMGYFWCV-VCHYOVAHSA-N 283.327 3.517 0 40 CHAB c1ccc(-c2nc(COc3ccc4c(c3)OCO4)co2)cc1 13985494 NKOSRIWXDKZQMR-UHFFFAOYSA-N 295.294 3.649 0 40 CHAB Cc1ccc(CN[C@H](c2ccccc2)c2nccn2C)s1 30643625 YMVIFNRMTMTBAS-MRXNPFEDSA-N 297.427 3.669 0 40 CHAB CCCC[C@@]1(c2ccccc2)NN=C2Oc3ccccc3N21 4189726 CLHNKNMHOQWWQL-GOSISDBHSA-N 293.370 3.803 0 40 CHAB Cc1cccc(Cc2cnc(NC(=O)C(C)C)s2)c1 6302362 VUFQOELYHDXJNK-UHFFFAOYSA-N 274.389 3.637 0 40 CHAB Cc1ccc2c(O)c(C(=O)c3ccc(Cl)cc3)cnc2n1 6974074 ORALSWAQXPYCAU-UHFFFAOYSA-N 298.729 3.528 0 40 CHAB Cc1cc2cc(NC(=O)Cc3ccccc3F)ccc2[nH]1 40072701 KHTKSGWPNXDKLH-UHFFFAOYSA-N 282.318 3.797 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)Nc1ccc2c(c1)CCC2 20569815 QFVMWJBXOUEKOD-BETUJISGSA-N 272.392 3.970 0 40 CHAB O=C(c1ccc(CN2CCC2)cc1)c1cccc(Cl)c1 2514616 BCUQUKINYKNDCJ-UHFFFAOYSA-N 285.774 3.777 0 40 CHAB Cc1cccc(NC(=O)CSc2ccccc2)c1 561731 YQSBNGWFXIALFT-UHFFFAOYSA-N 257.358 3.726 0 40 CHAB CCCc1cc2c(cc1NC(=O)c1ccc(C)cc1)OCO2 381819 RQZOLORUQSWUBE-UHFFFAOYSA-N 297.354 3.929 0 40 CHAB CC[C@@H](C)OC(=O)C[C@H](c1ccccc1)N1CCCCC1 1569411 CQLCJFCUAHKNIE-NVXWUHKLSA-N 289.419 3.945 0 40 CHAB CCOC(=O)Nc1ccc2c(c1)-c1ccccc1C2 1713238 UTVVQFGFDWRKTO-UHFFFAOYSA-N 253.301 3.826 0 40 CHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 4309587 FCQNZMCMQAARHD-UHFFFAOYSA-N 263.646 3.707 0 40 CHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 6929232 HIKMXMNNDVJVQY-JTQLQIEISA-N 293.725 3.885 0 40 CHAB CC[C@H](C)C(=O)NCc1ccnc(Oc2ccccc2)c1 32931119 ZGOPIDRNEFKLHL-ZDUSSCGKSA-N 284.359 3.536 0 40 CHAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC(=O)C2 58200756 VUQQUDLAAJRNMK-OWSLCNJRSA-N 270.372 3.817 0 40 CHAB CC1=C[C@H](C)C2(COC(c3ccco3)OC2)[C@H](C)C1 517870 HDOZYLVTCNXYDZ-LOCSVTFISA-N 262.349 3.934 0 40 CHAB biogenic Cn1c(Nc2ccc(Cl)cc2)nc2ccccc21 513013 MUPUCSNAOIHGPJ-UHFFFAOYSA-N 257.724 3.970 0 40 CHAB O=C(CCc1cccs1)NCc1ccccc1Cl 23142812 IEVGUPXRIPMXJS-UHFFFAOYSA-N 279.792 3.651 0 40 CHAB COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1C 20025567 WBBGPUIQZIPSHK-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB C[C@@H](CCNC(=O)N[C@H](C)c1ccncc1)c1ccccc1 58289612 GPFQXOHAQXBALY-LSDHHAIUSA-N 297.402 3.636 0 40 CHAB O=C(Nc1cc(-c2ccccc2)no1)c1ccccc1 3603235 WJNSQKPWMDVDCI-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB C[C@@H](N)c1nc(-c2ccc(Br)cc2)cs1 3708667 KUWRUGPKOMAJOU-SSDOTTSWSA-N 283.194 3.592 0 40 CHAB S=C(Nc1cc(Cl)cc(Cl)c1)N1CCCC1 13325875 XBTMQQSUVNBBHH-UHFFFAOYSA-N 275.204 3.786 0 40 CHAB CSc1cccc(NC(=O)NCCC(C)C)c1 13320144 QQZMUYNFTZWNNH-UHFFFAOYSA-N 252.383 3.576 0 40 CHAB O=C(NCc1ccccc1)c1ccc(-c2ccco2)cc1 4677047 FPIDDTKQESBZIT-UHFFFAOYSA-N 277.323 3.877 0 40 CHAB CC[C@H](NC(=O)C1CCCCC1)c1ccc(OC)cc1 20451784 BLXPJPIALMVPSA-INIZCTEOSA-N 275.392 3.843 0 40 CHAB N#Cc1ccc(-c2ccc(Oc3ncccn3)cc2)cc1 6600711 UJCSSFDNMZEMGZ-UHFFFAOYSA-N 273.295 3.808 0 40 CHAB Cn1ccc2c(C(=O)Nc3cccc4[nH]ccc34)cccc21 72324402 VAVACFCXNRKJNM-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic CCOC(=O)[C@@H](Sc1nc2ccccc2o1)C(C)C 95414349 QHXHIVOGNQDWQJ-LBPRGKRZSA-N 279.361 3.508 0 40 CHAB N=c1[nH]nc(/C(=C/c2ccccc2)c2ccccc2)s1 408718129 KYYUQKBKUPAHNA-SDNWHVSQSA-N 279.368 3.540 0 40 CHAB O=C(O)[C@@H](Nc1ccccc1Cl)c1ccccc1F 37955069 MZPVUMFEEMAPRR-ZDUSSCGKSA-N 279.698 3.717 0 40 CHAB in-vitro Cc1cccc(C(=O)Oc2c(C)cc(C(=O)O)cc2C)c1 216726922 XLLBLYAANWCPBL-UHFFFAOYSA-N 284.311 3.529 0 40 CHAB CC(C)CN1CCCC[C@@H]1c1cccnc1NC1CC1 72213740 GXWHTQNJNZIEAW-MRXNPFEDSA-N 273.424 3.839 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(N(CC)CC)nc1 72212842 AOEWPWMXPAHFFG-INIZCTEOSA-N 275.440 3.865 0 40 CHAB CSCCC(=O)c1ccc(F)c(C(F)(F)F)c1 70436991 WQIJZZPRDNRVKN-UHFFFAOYSA-N 266.259 3.780 0 40 CHAB CCCCN1CCCC[C@@H]1c1ccc(OCC)nc1 72211803 YDCHWPGNUJLEBB-OAHLLOKOSA-N 262.397 3.807 0 40 CHAB c1ccc(CN2CCCC[C@@H]2c2ccncc2)cc1 72211049 XAEJVXZQIVOGMD-QGZVFWFLSA-N 252.361 3.809 0 40 CHAB O=C(Cc1ccccc1)c1ccc(OC(F)F)cc1 38127024 OJPBXGHGERDPQV-UHFFFAOYSA-N 262.255 3.713 0 40 CHAB CC(C)Cc1ccc(CNCc2ccccc2)n1C 226020233 CCYUNOORNWRETN-UHFFFAOYSA-N 256.393 3.513 0 40 CHAB COc1ccc(-n2cnc3cc(C)c(C)cc32)cc1 199733999 XTVVSTYYLCZUGR-UHFFFAOYSA-N 252.317 3.651 0 40 CHAB CC(C)(CC(=O)c1cccc2ccccc12)C(=O)O 43214219 YCFUPRNLZWUAAJ-UHFFFAOYSA-N 256.301 3.523 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(F)cc1 83264770 VJXHNIORPORNTP-CQSZACIVSA-N 294.370 3.637 0 40 CHAB Cc1cccc2cc(C(=O)NCc3ccccc3)oc12 41306724 JYTYLRAKDNSNNT-UHFFFAOYSA-N 265.312 3.671 0 40 CHAB CC(C)(C)c1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1 40169603 QOPCJABPONQWSV-UHFFFAOYSA-N 278.359 3.831 0 40 CHAB CC(C)Cn1ccc2c(NC(=O)C(C)C)cccc21 96114199 ZFMKPBHGCPCIKT-UHFFFAOYSA-N 258.365 3.892 0 40 CHAB biogenic C[C@@H]1CC[C@@H]1COc1ccccc1Br 96526365 LZCBTBCGABMWER-NXEZZACHSA-N 255.155 3.874 0 40 CHAB COc1cccc(OC)c1C(=O)c1cccc(SC)c1 95917212 SFAOSHQTKIUXQH-UHFFFAOYSA-N 288.368 3.657 0 40 CHAB CCN(Cc1cccc(F)c1)C(=O)c1cnccc1Cl 95419005 LWHNMNWCLDGYLK-UHFFFAOYSA-N 292.741 3.536 0 40 CHAB Cc1onc(-c2ccc(C(C)(C)C)cc2)c1C(=O)O 11627983 MFMKSWWROYJVRG-UHFFFAOYSA-N 259.305 3.646 0 40 CHAB Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 5940404 OEQGGZPTCXQNAP-UHFFFAOYSA-N 262.312 3.674 0 40 CHAB CC1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 12947401 JDDLEQGBFPYNRX-LXVYMNJGSA-N 295.810 3.802 0 40 CHAB Cc1nc2sccn2c1C(=O)c1cccc(Cl)c1 12584603 FWBGSWJZGQSINH-UHFFFAOYSA-N 276.748 3.589 0 40 CHAB CCOc1ccc2nc(NC(=O)C(C)(C)C)sc2c1 181075 QJUSXKSUEGPJEH-UHFFFAOYSA-N 278.377 3.680 0 40 CHAB CCn1nc(C)cc1C(=O)Nc1ccc2sccc2c1 11696041 XXGXFKYEQMKQAQ-UHFFFAOYSA-N 285.372 3.678 0 40 CHAB O=C(Nc1ccc2ncsc2c1)c1ccccc1 10217131 GYCSEOAIFGSAHQ-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB Cc1ccc(C)n1NC(=O)c1cccc2ccccc12 20131528 PDMVPOYTCIBACW-UHFFFAOYSA-N 264.328 3.642 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)NC1CCCC1 40096468 VBDMFNYNZAXRLK-UHFFFAOYSA-N 252.745 3.713 0 40 CHAB Cc1ccccc1NC(=O)NCCSc1ccccc1 40095264 YLVPDMOPLSZTHP-UHFFFAOYSA-N 286.400 3.909 0 40 CHAB CCOC(=O)CCCCC(=O)c1ccc(CC)cc1 2580355 BYNSXOPQFGNUNB-UHFFFAOYSA-N 262.349 3.555 0 40 CHAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2)c1 306816 LSVANDKRDBLKMT-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB Cc1ccc2oc(=O)n(Cc3ccc(OC(C)C)cc3)c2c1 386011 YXPUFNMWUQXXMH-UHFFFAOYSA-N 297.354 3.738 0 40 CHAB Cc1nc(CSc2nnc(C3CC3)n2C2CC2)cs1 32739698 QIQAVTVWXRKWIZ-UHFFFAOYSA-N 292.433 3.548 0 40 CHAB COc1ccc(C)cc1NC(=O)c1cc2c(s1)CCC2 3256755 HMVYQZGBIRVSTE-UHFFFAOYSA-N 287.384 3.806 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccncc1 480185 JGMFUVUBDIBMAQ-UHFFFAOYSA-N 296.248 3.849 0 40 CHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cscn1 78482646 NDWPBUNMTYMLHP-LBPRGKRZSA-N 288.416 3.629 0 40 CHAB Fc1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1 55211068 KBRDRDNCEKUANR-GOSISDBHSA-N 278.330 3.809 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 20490263 BTIPFIWQDANXHM-BXUZGUMPSA-N 283.799 3.802 0 40 CHAB CN(CC(=O)c1ccccc1Cl)C1CCCCC1 3293110 NGNPJHVISOVGEM-UHFFFAOYSA-N 265.784 3.787 0 40 CHAB COc1cccc(CC(=O)c2c[nH]c3ccc(F)cc23)c1 111683213 AEQQXWMLJORKEI-UHFFFAOYSA-N 283.302 3.741 0 40 CHAB C[C@@H](NC(=O)NCc1ccccc1)c1ccc(Cl)s1 27350118 WPRUIFSKZNJAQE-SNVBAGLBSA-N 294.807 3.962 0 40 CHAB O[C@H](c1cc(F)cc(F)c1)c1cccc(Br)c1 55201563 OLQISAMSKVXZHN-ZDUSSCGKSA-N 299.114 3.809 0 40 CHAB Cc1ccc(CC(=O)N(C)c2ccc3ccccc3c2)cn1 58394226 USHGYQAXKRAKFQ-UHFFFAOYSA-N 290.366 3.749 0 40 CHAB CCc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2389254 IMLWGYVDZQECIP-UHFFFAOYSA-N 256.301 3.526 0 40 CHAB Cc1sc(N)nc1-c1ccc(C(F)(F)F)cc1 28009131 SUDKFQSYTBBEGL-UHFFFAOYSA-N 258.268 3.720 0 40 CHAB C[C@H](NC(=O)Nc1ccccc1F)c1cccs1 8734714 MLKIZLRLNQETFO-VIFPVBQESA-N 264.325 3.770 0 40 CHAB CCCCCCc1c(C)c2c(O)cc(O)cc2oc1=O 8764791 ITHCYOPLUFBMGC-UHFFFAOYSA-N 276.332 3.635 0 40 CHAB biogenic CC[C@@H](C)NC(=O)N[C@H](CC)c1ccc(C)cc1C 13745632 AOKBCXSLXGRHMD-UKRRQHHQSA-N 262.397 3.852 0 40 CHAB COc1ccccc1C(=O)Nc1cc(-c2ccccc2)no1 8869645 LFLREAHJGKYHDY-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB Cc1ccc(C2=N/C(=C\c3ccccc3C)C(=O)O2)cc1 4714076 ABAMYGDQTCBGQJ-WJDWOHSUSA-N 277.323 3.648 0 40 CHAB CCc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 6811446 ILIUNSDGLIPAQU-UHFFFAOYSA-N 293.322 3.608 0 40 CHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCC1 7779369 KVESVQGANISLPO-HNNXBMFYSA-N 289.375 3.893 0 40 CHAB Cc1ccc2nc(/C(Cl)=C/c3ccccc3)cc(=O)n2c1 7908827 FMAZWPIUXUYRCO-ZROIWOOFSA-N 296.757 3.740 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN(C)CC[C@H](C)O)o1 93481234 NFCKAVWELHQLGA-LBPRGKRZSA-N 291.366 3.597 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C)c(C)c1 20050580 SSWLFVDZSXMWAL-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB O=C(c1c(F)cc(Br)cc1F)C1CCC1 122159381 OLULHCHSNRTYLZ-UHFFFAOYSA-N 275.092 3.710 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)c1nc(S)nc(C(F)(F)F)c12 36724561 FMPXSYUWRRBPDK-PWCHPLFNSA-N 288.338 3.959 0 40 CHAB CC[C@H](N)c1ccc(SCc2ccccc2)nc1 72225416 NCHRGSXLELQBPL-AWEZNQCLSA-N 258.390 3.784 0 40 CHAB CN1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 72213973 VXPHLIDMTIWLBX-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB O=C(Nc1ccccc1)c1conc1-c1ccccc1 225870785 LBMKKZJBOCYBME-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB COc1ccccc1NC(=O)CCc1ccc(C)c(C)c1 225614024 FRQNMHPZCJUXEW-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1ccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1 225020166 SZOOGWQWPDKLKY-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB Clc1ccc([C@@H]2CCCN2)c(Br)c1 84623585 LMURJLTUTXGEFZ-JTQLQIEISA-N 260.562 3.527 0 40 CHAB CCc1ccc(CC)c(CNC(=O)c2ccc(F)cc2)c1 223868352 NKXVURXTTCEEQQ-UHFFFAOYSA-N 285.362 3.881 0 40 CHAB COc1ccc(-c2ccccc2F)c(C(F)(F)F)n1 47204816 DIEZAFPJYIKUGU-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB Cc1cccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)c1 49467915 XZTZPJACACUDQJ-UHFFFAOYSA-N 294.333 3.917 0 40 CHAB CC(C)(C)C(=O)NCCCc1cccc2ccccc12 225557895 OEMHHGKDLWSDEE-UHFFFAOYSA-N 269.388 3.935 0 40 CHAB C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccnc2)C1 98014245 GUUKMVXAFFDKNI-BLLLJJGKSA-N 299.349 3.836 0 40 CHAB CCn1c([C@H](C)NC2CCSCC2)nc2ccccc21 237223859 HONFKDCTEQCKPX-LBPRGKRZSA-N 289.448 3.602 0 40 CHAB Cc1ncccc1CNC(=O)Nc1ccc(F)c(C2CC2)c1 529095734 KAZWBNGSOOPATB-UHFFFAOYSA-N 299.349 3.728 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CCCCC2)CC1 82610507 ZCTRFIICURVZHX-UHFFFAOYSA-N 253.386 3.968 0 40 CHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCC1 40159776 HBZZUNRXBJSOCP-UHFFFAOYSA-N 275.682 3.680 0 40 CHAB Cc1ccc2nc(NC(=O)OCC(F)(F)F)sc2c1 109698254 KIUDFSAQFXNLPX-UHFFFAOYSA-N 290.266 3.716 0 40 CHAB Ic1ccc2sccc2c1 15042982 XVLLBRYWAUIDSJ-UHFFFAOYSA-N 260.099 3.506 0 40 CHAB Cc1ccc(NC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1C 208026922 XESYIGRDYBIFJM-GJZGRUSLSA-N 256.349 3.628 0 40 CHAB CCN(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12 32722429 LLDYLJUYXYCMOE-UHFFFAOYSA-N 298.411 3.821 0 40 CHAB CSc1ccc(NC(=O)NCCCC(C)C)cc1 40104222 APTJODLCLNDPEL-UHFFFAOYSA-N 266.410 3.966 0 40 CHAB COC(=O)CCOc1c(Cl)cc(Cl)cc1Cl 20518775 VTRRSSMDVBTBMK-UHFFFAOYSA-N 283.538 3.589 0 40 CHAB in-vitro Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1 132488 DPWKMDKBMVCVOF-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB Cc1csc(-c2cc3cc(Cl)ccc3oc2=O)n1 273819 GPLLUFMXFUXGHX-UHFFFAOYSA-N 277.732 3.878 0 40 CHAB Cc1cc(C)c(NC(=O)OCC(F)(F)F)c(C)c1 32628844 BAXPBBVKZUIZRF-UHFFFAOYSA-N 261.243 3.723 0 40 CHAB in-vitro Cc1ccc2c(c1)CN(C)c1ccc(C)cc1CN2C 1589260 GONCATUIYIZZIB-UHFFFAOYSA-N 266.388 3.890 0 40 CHAB C1=CO[C@]2(N3CCN(c4ccccc4)CC3)CCCC[C@H]2C1 1706584 CYUSZIDJYHFRGG-PKOBYXMFSA-N 298.430 3.629 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN1C[C@H]2CCCC[C@H]2[C@@H]31 4026529 HKCFIODYAGNXJQ-TVZGQMOCSA-N 296.414 3.896 0 40 CHAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NCCC1=CCCCC1 103584901 VAUVHWYRAVWBMF-BZUAXINKSA-N 261.409 3.819 0 40 CHAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1 10109642 RCLMKXLYZBKRAE-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB Cc1cccc(N2C(=O)[C@@H]3CC[C@@](C)(C2=O)C3(C)C)c1C 100284112 OSVKRYJQZURXKY-UGSOOPFHSA-N 285.387 3.619 0 40 CHAB Cc1ccccc1-n1c(Cc2cccs2)n[nH]c1=S 535862 FYAVBSRWGRKXMF-UHFFFAOYSA-N 287.413 3.891 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cc(N)ccc1Cl 20194134 JOPDNBIKJRSQAU-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB O[C@H](Cn1cnc2ccccc21)c1ccc2ccccc2c1 51086441 IOWLIZAHVBOLOF-LJQANCHMSA-N 288.350 3.923 0 40 CHAB O=C(Nc1ccc(F)cc1F)C1C2CC3CC(C2)CC1C3 24830364 MFVBLKFZEVSOLK-UHFFFAOYSA-N 291.341 3.976 0 40 CHAB O=C(NC1CCCCCC1)[C@H]1C[C@@H]1c1ccccc1 1480362 LPWHOULVAUYTTM-CVEARBPZSA-N 257.377 3.629 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@H](c1nccs1)C1CC1 107502044 VGYFYSPKFNGRSS-NHULGOKLSA-N 290.432 3.537 0 40 CHAB CN(C)C(C)(C)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 104177024 DTIKEEZPIDWSHF-XJKCOSOUSA-N 253.430 3.558 0 40 CHAB OC1=Nc2n[nH]cc2[C@@H](c2cccc(C(F)(F)F)c2)C1 20738449 HSPSICMNOAPCBV-SECBINFHSA-N 281.237 3.552 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)NCCc1ccccc1 58160992 QOVIWVABQKYXRX-UHFFFAOYSA-N 288.416 3.547 0 40 CHAB O=C(/C=C/c1ccco1)N1CCCCc2ccccc21 58391922 XBVICOBWHQQQHJ-ZHACJKMWSA-N 267.328 3.662 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1ccnn1C1CCCCC1 48325325 NFJMKANIKSSQSC-CYBMUJFWSA-N 273.380 3.683 0 40 CHAB C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccco1 12849610 ZQKGDAGMMPKZRW-ZDUSSCGKSA-N 295.338 3.689 0 40 CHAB COc1ccccc1-c1csc(NCC(C)C)n1 3455789 DAZBEPBZUCOYLC-UHFFFAOYSA-N 262.378 3.887 0 40 CHAB Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)nc1 48696947 ZBMWYRQZONOBFE-WDEREUQCSA-N 286.297 3.697 0 40 CHAB Cc1ccc2c(c1)c1cccc3c1n2CCN3N=O 4321460 JETSRQMLLMQQCA-UHFFFAOYSA-N 251.289 3.604 0 40 CHAB Clc1cccc2c1[C@H]1Cc3ccccc3CN1CC2 64219025 GLSMGFUBVXKHNJ-MRXNPFEDSA-N 269.775 3.996 0 40 CHAB Cc1cc(C)c(NC(=O)NCc2cc(C)on2)c(Cl)c1 65607556 HPVJILHFARDDEP-UHFFFAOYSA-N 293.754 3.575 0 40 CHAB Cc1ccc(C)c(CSc2nc3ncccc3[nH]2)c1 5458324 YLTCFORMMOBRNC-UHFFFAOYSA-N 269.373 3.867 0 40 CHAB CC(C)CN1C(=O)/C(=C\c2ccccc2O)c2ccccc21 409116853 MEJYADRKEMPMSS-WJDWOHSUSA-N 293.366 3.935 0 40 CHAB CCCC(CCC)C(=O)Nc1cccc([C@H](C)O)c1 8714208 RFJRHQLJDWZEKM-LBPRGKRZSA-N 263.381 3.895 0 40 CHAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CC=CCC1 7264626 GMAJODSUDHOLLN-SNVBAGLBSA-N 284.186 3.966 0 40 CHAB Cc1ccc(/N=c2/sc3ccccc3n2C)cc1 15768389 PWDGKJBZJNJIFU-FOCLMDBBSA-N 254.358 3.781 0 40 CHAB C[C@@H]1CCCCN1CCCNC1CCCCCC1 19912903 OERFHJMDYSIMQY-OAHLLOKOSA-N 252.446 3.563 0 40 CHAB CC(=O)c1ccc(NC(=O)Nc2ccc(O)cc2)cc1C 97104829 BWOZHPSPDCDGHX-UHFFFAOYSA-N 284.315 3.547 0 40 CHAB CC[C@@H]1CN(C)c2ccccc2CN1Cc1c(C)noc1C 79073986 KGKSYBMVFVJRBR-MRXNPFEDSA-N 299.418 3.522 0 40 CHAB O=C(Nc1cc(Cl)ccc1-n1cccc1)c1cccnc1 72403686 YDNQMOBMZHMFNS-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB CCCCOCc1c(Br)cnn1C(C)C 408717273 XVBQDGVKGGNCAR-UHFFFAOYSA-N 275.190 3.543 0 40 CHAB CC(C)(C)Nc1ccc(C(=O)c2ccccc2)cn1 72225828 CQBHZSNACIUHDR-UHFFFAOYSA-N 254.333 3.523 0 40 CHAB CC(C)(C)Nc1nc2ccccc2nc1-c1ccncc1 4726102 UNGTURVWDAZTNY-UHFFFAOYSA-N 278.359 3.902 0 40 CHAB COC(=O)c1ccccc1-c1nc2cc(Cl)ccc2o1 34168512 QBJNWKBHVZVGKS-UHFFFAOYSA-N 287.702 3.935 0 40 CHAB CC(C)(C)OC(=O)NCc1c[nH]c2ccc(Cl)cc12 77024505 DBPLAYJMAOZAHW-UHFFFAOYSA-N 280.755 3.846 0 40 CHAB O=C(NCCc1cccs1)c1c(F)cccc1Cl 36717338 FGGGAFHBZDVYPQ-UHFFFAOYSA-N 283.755 3.513 0 40 CHAB C[C@@H]1CCC[C@H]1Nc1ccc(Cl)c(C[S@](C)=O)c1 215556545 UEOISBBFTDMTSI-RUHJCQMXSA-N 285.840 3.819 0 40 CHAB Cc1ccc(Nc2ccc(N)cc2C(=O)NC2CC2)c(C)c1 225464606 LVTMWVGBBKVKEY-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB Cc1ccc(CCC(=O)NCC2CCCCC2)cc1C 225204156 JADOEFNBLNZNAO-UHFFFAOYSA-N 273.420 3.933 0 40 CHAB Cc1ccnc(Nc2ccccc2Br)c1 228971275 OLXLNWOGIWIGAU-UHFFFAOYSA-N 263.138 3.896 0 40 CHAB Cc1ccc(Nc2ccc(C(=O)N3CCCC3)cc2N)cc1 225417717 GUBRQOYNOVSMMB-UHFFFAOYSA-N 295.386 3.557 0 40 CHAB Cc1ccccc1[C@H](C)NC(=S)Nc1ncccc1C 225755092 HXSKCTZTGCQOAV-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB Cc1ncc(NC(=O)N2C[C@H](C(C)C)c3ccccc32)cn1 333243007 QLVLNGMDFVEYEO-OAHLLOKOSA-N 296.374 3.577 0 40 CHAB C[C@H](NC(=O)CC1CC1)c1ccc(-c2cccnc2)cc1 96446749 DGOWSNIFXPWQCJ-ZDUSSCGKSA-N 280.371 3.726 0 40 CHAB CCOc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260658755 DXWTYNKMKSHAOL-HUBLWGQQSA-N 290.432 3.560 0 40 CHAB Cc1cc(SC(F)(F)F)ncc1Br 95918441 LTPPHEHITBUBOM-UHFFFAOYSA-N 272.089 3.764 0 40 CHAB O=C(O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12 114709281 OUPMKSLXZDCYEL-UHFFFAOYSA-N 295.338 3.764 0 40 CHAB C[C@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 5559236 HQWDKIQCVUQCOK-LBPRGKRZSA-N 273.763 3.760 0 40 CHAB Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1 17007177 JLDBPTHJXAUGJA-UHFFFAOYSA-N 273.336 3.925 0 40 CHAB Cn1c(/C=C/c2ccccc2Cl)nc2ccccc2c1=O 4369023 GVYDHBQRMAGYQA-ZHACJKMWSA-N 296.757 3.757 0 40 CHAB Fc1ccc(CNc2ccc(F)c(F)c2)cc1F 19918091 ARTWKHWVHXNSGN-UHFFFAOYSA-N 255.214 3.855 0 40 CHAB Cc1nc2ccccc2nc1NCc1cccs1 29402098 OYAHWELTKYDNKD-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB Cc1cccc(Cn2c(C(=O)O)cc3ccccc32)c1 19984233 QVBCVZIUPVNMAT-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB C[C@@H]1CCCC[C@@H]1N(C)CCC(=O)Nc1ccccc1 32777675 CJQIVLRRDCRIRZ-ZBFHGGJFSA-N 274.408 3.526 0 40 CHAB CCC(=O)Nc1cccc(-c2cn3ccc(C)cc3n2)c1 1423371 WNKGLEIOZWOTEF-UHFFFAOYSA-N 279.343 3.658 0 40 CHAB CCc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 10412753 CBJHEUFMEOSICL-UHFFFAOYSA-N 297.354 3.549 0 40 CHAB C[C@@H](NCc1cscn1)c1cccc(Cl)c1 40420817 FPWSPMVHRSWRMD-SECBINFHSA-N 252.770 3.647 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)C1[C@H]2CCCC[C@H]12 101400767 GCBUFWSSBKBWQB-UWVGGRQHSA-N 267.731 3.854 0 40 CHAB Cc1nc(C)c2c(C)n(-c3ccccc3)nc(C)c1-2 367551 LRBNKSGLZHGUQC-UHFFFAOYSA-N 251.333 3.606 0 40 CHAB CCN(CC)CCNc1cccc2c(SC)ccnc12 1591897 PXZJKGBRFSFURW-UHFFFAOYSA-N 289.448 3.710 0 40 CHAB Cc1cccc(N2C(=O)[C@@H]3CC[C@](C)(C2=O)C3(C)C)c1C 3097285 OSVKRYJQZURXKY-SCLBCKFNSA-N 285.387 3.619 0 40 CHAB COc1ccc(-c2csc(-c3ccccn3)n2)cc1 6809623 AKZYJUJVFCOXJZ-UHFFFAOYSA-N 268.341 3.881 0 40 CHAB Cc1nn(C)c(C)c1CN[C@H](C)c1ccc2c(c1)CCCC2 8880138 XOXDIBPAIANJHB-CYBMUJFWSA-N 297.446 3.767 0 40 CHAB O[C@H](c1cccc(F)c1)c1cccc(Br)c1 37465039 RWKNMZLQGZSYLL-ZDUSSCGKSA-N 281.124 3.670 0 40 CHAB in-vitro CCC(CC)N(C)C(=O)N[C@@H]1CCCc2ccccc21 42959956 CMXUIXZDMJYODE-MRXNPFEDSA-N 274.408 3.894 0 40 CHAB Cc1ccc(SCCC(=O)N[C@@H](C)C(C)C)cc1 57160006 LFHWZBMHPYGGGV-ZDUSSCGKSA-N 265.422 3.638 0 40 CHAB CCCCC[C@H](C)NC(=O)[C@]1(C)CC1(Cl)Cl 55544628 KNPHRJNMNATWDE-ONGXEEELSA-N 266.212 3.655 0 40 CHAB CCOc1ccc(C(=O)Nc2cc(F)ccc2F)cc1C 20025620 IANCRBLEOFFOQP-UHFFFAOYSA-N 291.297 3.924 0 40 CHAB COC(=O)c1ccc([C@H](C)Sc2nc(C)cs2)o1 48331545 YLJXKKUFBBWOOQ-QMMMGPOBSA-N 283.374 3.684 0 40 CHAB Cc1nc(C)c([C@@H](C)NC(=O)Nc2cccc(F)c2)s1 48694435 PNPAQJGLTDWPBA-SECBINFHSA-N 293.367 3.782 0 40 CHAB CC1(C)Cc2ccccc2-c2nnc(-c3ccc(O)cc3)n21 13130059 SZTIGWGUVVLZIC-UHFFFAOYSA-N 291.354 3.609 0 40 CHAB CC[C@@H](C)NC(=O)N[C@H](CC)c1cccc(Cl)c1 13746451 YMBFKFJZXJPYFP-ZWNOBZJWSA-N 268.788 3.889 0 40 CHAB COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C=O 39712968 IEENEJLKQKCCDD-UHFFFAOYSA-N 272.144 3.545 0 40 CHAB C[C@@H](Nc1ccccc1Oc1ccccc1)C(=O)NC1CC1 6313717 QCWONKROULENPY-CYBMUJFWSA-N 296.370 3.558 0 40 CHAB O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CC=CCC1 14180886 UAYJBENPAQFYBY-GFCCVEGCSA-N 295.835 3.905 0 40 CHAB O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S1 9190096 RHRLYVRWKISPMD-UVTDQMKNSA-N 281.336 3.678 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(N)c1C 19736290 WOBTYRRKJFOSRN-INIZCTEOSA-N 298.386 3.682 0 40 CHAB C[C@H](CNC[C@@H]1CCCO1)Oc1ccc(C(C)(C)C)cc1 19737906 SEYDLTAVGGJHPD-PBHICJAKSA-N 291.435 3.520 0 40 CHAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 7757958 MQIJJHLZTBLRKU-QGZVFWFLSA-N 297.354 3.905 0 40 CHAB COc1cc(NC(=O)c2ccsc2)c(OC)cc1Cl 9453921 SPFLPIOUKCEMSP-UHFFFAOYSA-N 297.763 3.671 0 40 CHAB Clc1ccc(SCC[C@H]2CCCCN2)cc1 8039536 MCRKDDZFRNKWBG-GFCCVEGCSA-N 255.814 3.964 0 40 CHAB in-vitro C[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccccn1 9745234 BTHIRDOAIRLZOR-CYBMUJFWSA-N 276.339 3.726 0 40 CHAB Cc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)n1C 72226825 IPVBVJHJGYNKKT-UHFFFAOYSA-N 278.315 3.532 0 40 CHAB CCc1nc([C@H](C)NCc2ncc(C(C)(C)C)o2)cs1 97112259 OHDLQAAMBGTWJP-JTQLQIEISA-N 293.436 3.842 0 40 CHAB C[C@@H](NC(=O)c1ccco1)c1cccc(Br)c1 20025420 LPGDYLZNHBWGJY-SECBINFHSA-N 294.148 3.533 0 40 CHAB Nc1sc2c(c1C(=O)c1ccc(Cl)c(F)c1)CCC2 95347569 GMBOUMNYICQVBI-UHFFFAOYSA-N 295.766 3.843 0 40 CHAB in-vitro CC(C)OCc1ccc(CN[C@H](C)C2CCOCC2)cc1 95420469 XVCMVTILOLZQEL-OAHLLOKOSA-N 291.435 3.516 0 40 CHAB COC(=O)c1sc(C(C)(C)c2ccccc2)nc1C 95431627 MCLJPBSGDXQFCC-UHFFFAOYSA-N 275.373 3.564 0 40 CHAB CCCN1CCC(Nc2cc(C)nc3ccccc23)CC1 89959038 PSIVRIXVKXICFS-UHFFFAOYSA-N 283.419 3.830 0 40 CHAB Cc1cccc(-c2nc(Cl)n(-c3ccccc3)n2)c1 22125183 WWXDVNWYYOLTEC-UHFFFAOYSA-N 269.735 3.896 0 40 CHAB Cc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1 26460415 BOXJHXMCIHNPLA-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB Nc1ccc(OC(F)(F)F)cc1-c1ccccc1 47207279 DNSUFAAFDZLIJJ-UHFFFAOYSA-N 253.223 3.834 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccco1 72221543 ZWJQISNNSNXSBP-AWEZNQCLSA-N 271.316 3.753 0 40 CHAB C[C@H]1CCC[C@@H]1OC[C@H](O)CN1C(C)(C)CCCC1(C)C 35093063 ZLYUPXNPZUWJIQ-XHSDSOJGSA-N 297.483 3.596 0 40 CHAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccncc1Cl 73096440 LLGNSNBENWELGK-SUNKGSAMSA-N 278.783 3.528 0 40 CHAB Cc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1N 225174677 AUNGKWCEDLBILU-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB Cc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)nc1 225462646 RUAGVSXDDTZTCU-HNNXBMFYSA-N 297.427 3.754 0 40 CHAB CCOc1cc(-c2nc(-c3ccccc3)n[nH]2)ccc1OC 85384997 IJCRSYRPYFKZKW-UHFFFAOYSA-N 295.342 3.546 0 40 CHAB COc1cc(C)c(C(=O)N2CCC(C)CC2)cc1C(C)C 225656350 TXUSCNPISKMSMG-UHFFFAOYSA-N 289.419 3.999 0 40 CHAB CCCc1ccc(OCCNC(=O)c2cccs2)cc1 223437694 NIKSDYPJBLPIAT-UHFFFAOYSA-N 289.400 3.509 0 40 CHAB COc1cncc(-c2ccc(OC(F)(F)F)cc2)c1 90411507 QTDPCIIBNUKKPQ-UHFFFAOYSA-N 269.222 3.656 0 40 CHAB Cc1cc(O)ccc1NC(=O)[C@@H]1SCCc2ccccc21 95431727 RVGYSMZOSQJOOY-MRXNPFEDSA-N 299.395 3.670 0 40 CHAB Cc1cccc2c(Cl)c(Br)cnc12 41702261 AUMFABFWRVHBOO-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB in-vitro CCOc1c(Cl)cc(F)cc1Br 725239979 QEUMCWYHPSKDKT-UHFFFAOYSA-N 253.498 3.640 0 40 CHAB CCc1ccc(Br)cc1Br 97436562 KSHOAMYVHOIVHU-UHFFFAOYSA-N 263.960 3.774 0 40 CHAB Cc1ccc(CCCNC(=O)CSc2ccccc2)cc1 13668971 XDUHJAHJRNQGKL-UHFFFAOYSA-N 299.439 3.836 0 40 CHAB CCSc1nnc(-c2ccc(Br)cc2)o1 19927938 KSXTYBOOCFANND-UHFFFAOYSA-N 285.166 3.611 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)ncn2C 163263449 WFZAIMVCGJPVBY-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB Clc1cccc(CCNc2ncnc3sccc23)c1 8119584 UVUCTCQWIXHBDG-UHFFFAOYSA-N 289.791 3.999 0 40 CHAB S=C(NCc1ccccc1)c1cccc(Cl)c1 408578207 WTXVZRHWNZBSBS-UHFFFAOYSA-N 261.777 3.805 0 40 CHAB O=C(O)CCCCc1cc2c(s1)CCCCC2 5511170 UDRXGTKVQBATQW-UHFFFAOYSA-N 252.379 3.814 0 40 CHAB O=C(Nc1cccc2cn[nH]c12)[C@H]1CCCc2ccccc21 40059001 GTMJNHZCGBHSRE-HNNXBMFYSA-N 291.354 3.622 0 40 CHAB CC(C)N(C(=O)/C=C/c1ccccc1Cl)C(C)C 64056 ZEOHAWMPTJVIQX-MDZDMXLPSA-N 265.784 3.999 0 40 CHAB O=C(CC1CCCCC1)NCC[C@@H]1CNc2ccccc21 20251981 CIGSMOOGHGLFOE-OAHLLOKOSA-N 286.419 3.672 0 40 CHAB in-vitro CC1(C)C(=O)[C@@]2(C(=O)Nc3cccc(Cl)c3)CC[C@H]1C2 100868097 AYQHCBUMVMKAFK-MGPLVRAMSA-N 291.778 3.674 0 40 CHAB CC(C)CNC(=O)c1ccccc1Nc1ccccc1 17127623 JQGUGOVLPCTOHX-UHFFFAOYSA-N 268.360 3.816 0 40 CHAB Cc1cc(C)n(C(=O)COc2ccc(Cl)cc2Cl)n1 364078 WGEUSFXLHJRECP-UHFFFAOYSA-N 299.157 3.526 0 40 CHAB CN[C@@H](c1ccccc1)c1ccccc1Br 3886970 HUUOWYZTEOSVSA-AWEZNQCLSA-N 276.177 3.758 0 40 CHAB C[C@H](CC(=O)Nc1nnc(C2CC2)s1)c1ccccc1 2629106 LJXZKMQMMDQVKK-SNVBAGLBSA-N 287.388 3.548 0 40 CHAB Oc1ccc(CC[C@@H]2CCNc3ccccc32)cc1 4366359 VAQRKDMOIDEBBF-CQSZACIVSA-N 253.345 3.924 0 40 CHAB Cc1cc(NC(=O)c2ccc(N3CCCC3)cc2)ccc1F 7383249 MFQZVDMJPRMQTK-UHFFFAOYSA-N 298.361 3.987 0 40 CHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccccc2C)c1 8041217 BHUOZRYQVROVQE-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB O=C(OCc1cccc(F)c1)c1ccc2ncsc2c1 8938080 BJTFOBFAGCQFMN-UHFFFAOYSA-N 287.315 3.792 0 40 CHAB Cc1cc(F)ccc1[C@@H](O)c1ccccc1Br 55203391 UXCREISDCSEFOD-CQSZACIVSA-N 295.151 3.978 0 40 CHAB O=C(O)c1ccc(C(F)(F)F)nc1-c1ccccc1F 47205265 YNIRLSCULDGHMI-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB COC(=O)Nc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 55513003 BRNIQVWRQLFNGL-UHFFFAOYSA-N 298.342 3.734 0 40 CHAB FC(F)(F)c1ccc(OCC[C@@H]2CCCCN2)cc1 20595716 FKBXQPBMPRUANF-LBPRGKRZSA-N 273.298 3.616 0 40 CHAB Cc1ccc(CC(C)(C)c2nc(C(=O)O)cs2)cc1 57905097 BIZIUEONJVIIKN-UHFFFAOYSA-N 275.373 3.670 0 40 CHAB Cc1ccc(-c2noc(CN3CCc4ccccc43)n2)cc1 12822143 ADSWWXBSUDPVAW-UHFFFAOYSA-N 291.354 3.608 0 40 CHAB CCC1CCC2(CC1)NN=C(c1ccccc1)S2 4018013 IFAHUQQWPULLPT-UHFFFAOYSA-N 260.406 3.981 0 40 CHAB O=C(O)c1ccccc1SCc1ccsc1 4218501 ZNSHPJTYGIZOKH-UHFFFAOYSA-N 250.344 3.739 0 40 CHAB O=C1C[C@@H](c2ccccc2)c2c(-c3ccccc3)n[nH]c2O1 4626281 RJUARKZSTIIMBO-AWEZNQCLSA-N 290.322 3.518 0 40 CHAB CC1(C)CC(N2CCCCCC2)=CC(=[N+]2CCCC2)C1 15953122 SZWJOMFGHPFQSN-UHFFFAOYSA-N 275.460 3.814 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 7811363 QMMOLIBYCUKGHP-VXGBXAGGSA-N 294.826 3.565 0 40 CHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccoc1 16299645 LPKMJLLPPXZGER-LBPRGKRZSA-N 293.775 3.900 0 40 CHAB C[C@H](Nc1ncnc2ccccc12)c1ccccc1F 8230342 GOORALIXXWCKHR-NSHDSACASA-N 267.307 3.942 0 40 CHAB Cc1nc(Cl)c2c(C)c(C(=O)OCC(C)C)sc2n1 19953574 AGNNJGMNHIHHOO-UHFFFAOYSA-N 298.795 3.774 0 40 CHAB C[C@H]1CC(C)(C)N(C(=O)c2cocn2)c2ccccc21 97047054 CQTGTBSPGMVEMQ-NSHDSACASA-N 270.332 3.607 0 40 CHAB CCc1ccc([C@@H](C)NCCCc2c(C)noc2C)o1 95969135 WMKHJBYJDBIMNO-GFCCVEGCSA-N 276.380 3.730 0 40 CHAB Cc1cc(NCc2csc(-c3ccsc3)n2)no1 95976643 URYXMSPTJPFHCJ-UHFFFAOYSA-N 277.374 3.780 0 40 CHAB Cc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C)C 65743438 RDOMIXRXUQRLEV-UHFFFAOYSA-N 259.271 3.998 0 40 CHAB in-vitro C[C@H]1CCC[C@@H](C)N1Cc1ccc(N)cc1Br 37515910 FPVDVIKKPOYZMN-PHIMTYICSA-N 297.240 3.794 0 40 CHAB C[C@H](c1ccccc1F)[S@@](=O)Cc1ccccc1F 78556010 DNIVAAJVHYLDPB-NSPYISDASA-N 280.339 3.975 0 40 CHAB c1ccc(C(OC[C@H]2CCCNC2)c2ccccc2)cc1 71256389 RFAADNHELHYGFE-INIZCTEOSA-N 281.399 3.792 0 40 CHAB Cc1ccc2oc(SCc3nnc(C4CC4)o3)nc2c1 72626756 JZQHUZAYYXILTA-UHFFFAOYSA-N 287.344 3.689 0 40 CHAB O=C(NCCc1cccs1)c1cc(F)ccc1Cl 72331805 OUVBJSIZPZQZTF-UHFFFAOYSA-N 283.755 3.513 0 40 CHAB COc1cccc(-c2csc(Br)n2)c1 41391083 DWWCYARMZHKGNY-UHFFFAOYSA-N 270.151 3.581 0 40 CHAB COc1ccc2oc(C(=O)Nc3ccccc3OC)cc2c1 41306288 DHQYHWUAXMJNNL-UHFFFAOYSA-N 297.310 3.702 0 40 CHAB Cc1cc(N)ccc1-c1ccc(C(=O)N2CCC[C@@H](C)C2)o1 226304535 XAUZBRIPASPJIZ-GFCCVEGCSA-N 298.386 3.709 0 40 CHAB COCc1cccc(C(=O)N2CCCc3ccc(F)cc32)c1 40538936 QYLVPQIEMIQOOI-UHFFFAOYSA-N 299.345 3.565 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 45204757 IGGVVPUTYUSMEG-ZHGJIWRESA-N 275.436 3.898 0 40 CHAB Cc1cc(N[C@H](c2cccc(F)c2)c2ccccn2)ncn1 96487426 DQZLELHKNBIXPQ-QGZVFWFLSA-N 294.333 3.521 0 40 CHAB CCCCOc1ccc(C(=O)C(F)(F)F)cc1C 95732768 PLBKQAZCVGWHMB-UHFFFAOYSA-N 260.255 3.919 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccnc(Cl)c2)C1 257231582 GHJAONFABPQDOE-GFCCVEGCSA-N 296.798 3.850 0 40 CHAB O=C(c1ccc(Cl)c(F)c1)c1ccc(F)cc1F 95916260 VAJYFFFXEMIBIP-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB FC(F)c1ccnc(C(F)F)c1Br 575629231 MVKIRPKSSYPVCG-UHFFFAOYSA-N 258.012 3.719 0 40 CHAB CSc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 100668 PXCPXPCAXFUXPM-RVDMUPIBSA-N 295.363 3.753 0 40 CHAB C[n+]1ccccc1/C=C/c1ccc(N2CCCCCC2)o1 5002320 IQPBUVUCDOTBGU-UHFFFAOYSA-N 283.395 3.655 0 40 CHAB COc1c(F)cc(F)cc1C(=O)CCc1ccccc1 575358073 IBPARZVFTRBVOQ-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB CC(C)CCNC(=O)c1cnn(-c2ccccc2)c1C1CC1 30549413 IXRIIPMPIGBAIP-UHFFFAOYSA-N 297.402 3.526 0 40 CHAB Cc1ccc([C@@H](CCN)[C@H]2CCOC(C)(C)C2)cc1 201897 GXWXGJWPSDTAAG-JKSUJKDBSA-N 261.409 3.633 0 40 CHAB biogenic COc1cccc(C(=O)CCc2cc(F)c(F)c(F)c2)c1 2517840 MHUXVXKPWUFVKO-UHFFFAOYSA-N 294.272 3.928 0 40 CHAB Cc1cc(OCC(=O)N[C@H]2CCCC[C@H]2C)ccc1Cl 141671 ZXACVKRLOMYMLC-ABAIWWIYSA-N 295.810 3.722 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccc(OCC)cc1 2580389 VFBJISMEWYEETQ-UHFFFAOYSA-N 292.375 3.782 0 40 CHAB O=C(CCc1ccccc1F)NCC1(c2ccccc2)CC1 21047717 KEMLETOTQOTMSS-UHFFFAOYSA-N 297.373 3.606 0 40 CHAB COc1cccc(NC(=O)Cc2ccccc2Cl)c1 2633476 YBJIZSRYCOEGGN-UHFFFAOYSA-N 275.735 3.530 0 40 CHAB COC(=O)c1ccc(Cl)cc1NC(=O)C1CCCCC1 1618633 OVIZECCRTFGJFQ-UHFFFAOYSA-N 295.766 3.645 0 40 CHAB O=c1c(O)c(-c2ccc(Cl)cc2)oc2cc(O)ccc12 1678812 QODKDHAVNFRNBN-UHFFFAOYSA-N 288.686 3.525 0 40 CHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](N)(=O)c1ccccc1 2585152 JEIUEGUEQPISEY-MNFOOTCESA-N 295.363 3.941 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)s2)cc1 2766936 GQABRGYYKAWRIO-LBPRGKRZSA-N 259.374 3.856 0 40 CHAB Cc1cc([C@H]2CCCN2Cc2nc3ccccc3s2)on1 52821755 IVTHJPPXDWIWTM-CYBMUJFWSA-N 299.399 3.930 0 40 CHAB CCOc1cccc(NC(=O)CCc2ccccc2F)c1 55767779 JECYXOKRTDICDV-UHFFFAOYSA-N 287.334 3.796 0 40 CHAB CC(=O)O[C@]1(c2ccccc2)CCN(C(C)(C)C)C[C@H]1C 34144942 RJPQYHOYVZTHMX-RDTXWAMCSA-N 289.419 3.585 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1 113950882 YHZKYIZKVGRUPL-KRWDZBQOSA-N 297.398 3.777 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)c1cn(C)c2ccccc12 12528083 JDPPOTRGFKJDAJ-CQSZACIVSA-N 292.382 3.978 0 40 CHAB O=C(/C=C/c1ccco1)N[C@@H]1CCCC[C@@H]1C(F)(F)F 25048422 ZFVLTBWHFLFXPZ-ADYIUWEDSA-N 287.281 3.530 0 40 CHAB CCOC(=O)/C=C1/CCCc2ccc(Cl)cc21 105304015 YCBDVRGFEKFWEX-FLIBITNWSA-N 250.725 3.623 0 40 CHAB O=c1[nH]c2c(s1)C1(CCCC1)[C@@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 101262437 KHMQOKBUWRJFJO-GWOFURMSSA-N 293.457 3.769 0 40 CHAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 25270809 IQXJCHUKQKSVTC-INIZCTEOSA-N 297.398 3.868 0 40 CHAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1 2147295 MDGRCZMZIVXYDB-UHFFFAOYSA-N 265.234 3.958 0 40 CHAB Cc1ccc(NC(=O)CCc2nc3ccccc3s2)nc1 9367786 KNGHVBWRTZWZBM-UHFFFAOYSA-N 297.383 3.571 0 40 CHAB CC(C)(C)c1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1 4811989 LKNDCUAXXULMKI-QGZVFWFLSA-N 281.355 3.805 0 40 CHAB COc1ccc2cc(C(=O)N3CCC[C@H](C)C3)ccc2c1 19170018 CGGHLXFMSJBBGD-ZDUSSCGKSA-N 283.371 3.721 0 40 CHAB OCCN(Cc1cccs1)C[C@@H]1CC12CCCCC2 19223552 CEBDPERFGXPCCQ-AWEZNQCLSA-N 279.449 3.513 0 40 CHAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(N)=O 7653252 IYSKZJSORSTKRM-UHFFFAOYSA-N 296.757 3.963 0 40 CHAB O=C(OCc1cc2c(Cl)cccc2[nH]1)c1cscn1 79064977 OYLKNHCOWCVMCR-UHFFFAOYSA-N 292.747 3.635 0 40 CHAB CCOC(=O)CCCN1CCC[C@@H]1/C=C/c1ccccc1 95468492 SMNGSEFKXHXZFE-GZKZCVOOSA-N 287.403 3.508 0 40 CHAB C[C@H]1CCC[C@H](C)N1CCCCOc1ccccc1C=O 217796253 YUHRPNBHESYHBU-HOTGVXAUSA-N 289.419 3.921 0 40 CHAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccccc3)oc12 73742562 NZUUNVSFXAQNTJ-LBPRGKRZSA-N 295.338 3.932 0 40 CHAB Cc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72211229 GUUZZZDTYVWJBB-QGZVFWFLSA-N 252.361 3.727 0 40 CHAB Clc1ccccc1-c1cnc(-c2ccccn2)[nH]1 216624140 OBEKAUKJBHNTRP-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB O=C(CCC(F)(F)F)Nc1ccc(F)cc1Cl 173039939 JWOUOUAJNMZAHK-UHFFFAOYSA-N 269.625 3.760 0 40 CHAB Cc1cc(N)cc(C)c1NC(=O)c1ccc(OC(C)C)cc1 45889434 RNFYREUMSJUTLV-UHFFFAOYSA-N 298.386 3.925 0 40 CHAB Clc1ccc(Cl)c2c1ncn2CN1CCCCC1 73634261 PSYNXRLIXZCSDF-UHFFFAOYSA-N 284.190 3.787 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)Cc1cccc(Cl)c1 222966400 PUJSDSFKEQYYAP-LBPRGKRZSA-N 285.774 3.860 0 40 CHAB CC1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCC1 225946194 BLMBZBTVRUPITG-UHFFFAOYSA-N 291.416 3.700 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 44839156 AGUFJSLTNXBERX-HOCLYGCPSA-N 277.408 3.766 0 40 CHAB COCc1cccc(NC(=O)Cc2ccc(C)cc2C)c1 225186567 ABFYMBUOSXQADO-UHFFFAOYSA-N 283.371 3.631 0 40 CHAB O[C@@H](c1ccc(Br)cc1)c1cc(F)cc(F)c1 40243319 TVLARBGTRPZQCH-ZDUSSCGKSA-N 299.114 3.809 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccccc1F 83264789 JMBRJZPOMZWSJC-LBPRGKRZSA-N 294.370 3.637 0 40 CHAB Cc1c(CNc2cnn(C3CCCC3)c2)cnn1C(C)C 256053425 RLEXCYKPQKVYAC-UHFFFAOYSA-N 287.411 3.696 0 40 CHAB CCc1nc(C)cn1-c1cc(Br)ccc1F 95915650 YKGQLVZVNQDFKK-UHFFFAOYSA-N 283.144 3.645 0 40 CHAB CCCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 36625146 AGHRXECWULIGPF-NSHDSACASA-N 269.797 3.793 0 40 CHAB CC[C@H](C)NC(=O)Nc1ccc(Br)cc1F 137471 GRZMTFRCPAITNC-ZETCQYMHSA-N 289.148 3.508 0 40 CHAB CCCC(=O)N(Cc1ccccc1)Cc1ccco1 257066 UHUXRMJHQGBUJX-UHFFFAOYSA-N 257.333 3.609 0 40 CHAB CCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 3264855 XPPAFZZWTHMLGK-UHFFFAOYSA-N 272.782 3.874 0 40 CHAB CCCC[C@@H](CC)CNC(=O)NC1CCCCC1 6042912 XPUUQWDBQWCCFH-CYBMUJFWSA-N 254.418 3.835 0 40 CHAB Fc1cc(-c2cncc([C@@H]3CCCN3)c2)ccc1Cl 906195141 ZQWKMIKJHBFLII-HNNXBMFYSA-N 276.742 3.966 0 40 CHAB O=C(NCc1cc(F)cc(F)c1)c1ccc(F)cc1Cl 30162618 ZTVOTIVCWQYGJF-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB Cc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1 4061476 NODUQZQKSCQHHR-UHFFFAOYSA-N 292.382 3.725 0 40 CHAB CCOc1ccccc1NCc1nnc(-c2ccccc2)o1 4384707 JCJPTUCWFRBBEP-UHFFFAOYSA-N 295.342 3.747 0 40 CHAB Cc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 13701107 ZBZPOWTURLHKBQ-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB CC[C@@H](Sc1ccccc1NC(=O)CC(C)C)C(=O)O 8732856 VVYUVFJYKMAHSL-GFCCVEGCSA-N 295.404 3.627 0 40 CHAB CC(C)CC(=O)Nc1ccccc1SCCCC(=O)O 8732854 NCWJXRDRRHDHRE-UHFFFAOYSA-N 295.404 3.628 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)CSCc2cccs2)C1 40069682 CRYNPAGUYNLJCD-RYUDHWBXSA-N 283.462 3.676 0 40 CHAB Cc1cc(N)cc2sc(NC(=O)C3CCCCC3)nc12 192914 GXLANAVNGBFEED-UHFFFAOYSA-N 289.404 3.706 0 40 CHAB CCCCc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 20594892 HJLNUWCYFSOPQY-CQSZACIVSA-N 282.387 3.915 0 40 CHAB c1ccc2c(c1)N[C@H](c1ccc3c(c1)OCO3)S2 113190 SKIHWBCOUBHKRA-AWEZNQCLSA-N 257.314 3.632 0 40 CHAB CC(C)COC(C(=O)O)(c1ccccc1)c1ccccc1 206820 YMJWNXIHEGIXBK-UHFFFAOYSA-N 284.355 3.687 0 40 CHAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccccc1 2625029 AHOACJKPVOPPPA-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB CN(C)CCCN1CCC2(CC1)CCC(C)(C)CC2 1680249 YJDQGKDHWFUIGT-UHFFFAOYSA-N 266.473 3.621 0 40 CHAB CC(C)OC(=O)N(C(=O)OC(C)C)c1ccc(F)cc1 1732320 ZOKQAYXMNRXGML-UHFFFAOYSA-N 283.299 3.722 0 40 CHAB CC(C)n1cnc2scc(-c3ccccc3)c2c1=O 11990247 HUPPUHTXKUTAHY-UHFFFAOYSA-N 270.357 3.706 0 40 CHAB Cc1ccc([C@@H](Nc2cc(C)cc(C)c2)C(=O)O)cc1 4244784 QAFHRAABXONVEO-MRXNPFEDSA-N 269.344 3.850 0 40 CHAB C[C@@H]1CCCCN1C(=S)Nc1ccc(Cl)cc1 6409436 ZAHJSAQGAWPOMW-SNVBAGLBSA-N 268.813 3.911 0 40 CHAB CC[C@H](C)N1C(=O)N(c2ccccc2)[C@](C)(O)CC1(C)C 491450 SVKHWMUHEZPJOS-SUMWQHHRSA-N 290.407 3.604 0 40 CHAB CC(C)(C)c1ccc(CCC(=O)NCc2ccccn2)cc1 10315347 QSWQNOIRGCQTLO-UHFFFAOYSA-N 296.414 3.628 0 40 CHAB COc1ccc(NCc2c[nH]c3ccccc23)cc1 505967 KEZHIJOFKHASAE-UHFFFAOYSA-N 252.317 3.789 0 40 CHAB CC(C)CCNc1ncnc2c1[nH]c1ccc(F)cc12 538861 DXUUZGMTDYBKRQ-UHFFFAOYSA-N 272.327 3.708 0 40 CHAB COc1cc2c(cc1NC(=O)NC1CC1)oc1ccccc12 53493741 LRZCMWLZBKYDRK-UHFFFAOYSA-N 296.326 3.879 0 40 CHAB C[C@H](NC(=O)Nc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101494136 KVGMTVUPUOMKSE-JLNYLFASSA-N 258.365 3.633 0 40 CHAB CCC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 25024269 GEZOJTMEGHFCRU-QGZVFWFLSA-N 253.345 3.611 0 40 CHAB CC(=O)Oc1ccc2ccccc2c1Br 1638566 KANGGDZPWPJYSX-UHFFFAOYSA-N 265.106 3.528 0 40 CHAB CC(C)OP(=O)(OC(C)C)[C@@H](O)c1ccccc1F 2087935 NDOKYXRHNHTOIC-CYBMUJFWSA-N 290.271 3.860 0 40 CHAB O=C(Nc1ccncc1)c1occc1COc1ccccc1 10126259 KLQAWRHXHMAONS-UHFFFAOYSA-N 294.310 3.506 0 40 CHAB COc1ccccc1C(=O)N(C)c1nc2ccccc2s1 12944349 MCHVYLGVUOZDNO-UHFFFAOYSA-N 298.367 3.582 0 40 CHAB C[C@@H]1CCCN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 4185401 UIMQZAVFCDNWAF-SCVCMEIPSA-N 290.234 3.836 0 40 CHAB CCCC[C@@H](CC)CNC(=O)Cc1ccc(C)cc1 4715912 JPPMJKOEUXPSNB-OAHLLOKOSA-N 261.409 3.870 0 40 CHAB Cc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)o1 5795539 LBAYHIUWANXAGY-SNAWJCMRSA-N 285.387 3.686 0 40 CHAB CC1CCC(NC(=O)c2csc3c2CCCC3)CC1 6805791 NPVKWGFANBDBLE-UHFFFAOYSA-N 277.433 3.935 0 40 CHAB COCc1ccc(C(=O)Nc2cccc(C)c2C)cc1 7400315 HWHMZFDYQQAEAA-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)Cc2ccccc2)cc1 20025333 NMYIEJYHYYNDJG-CYBMUJFWSA-N 285.412 3.828 0 40 CHAB CCc1c(NCc2ccccc2OC)cnn1CC(C)C 95445317 NZSSNXWANWEELY-UHFFFAOYSA-N 287.407 3.722 0 40 CHAB Cc1cc(N2CCCCCC2)ncc1[C@@H](N)c1ccccc1 72223535 BOTWKVCGEBSPQX-IBGZPJMESA-N 295.430 3.819 0 40 CHAB CN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358369 WUGBIZSYOULTQC-CYBMUJFWSA-N 287.794 3.606 0 40 CHAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)cc1 32819429 VCGFGWGKLKFVIE-DOTOQJQBSA-N 285.387 3.715 0 40 CHAB Cc1cc(NC(=O)c2ccc(F)cc2C)ccc1F 157712640 AJIJXEVGVFZTOY-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB COC(=O)c1ccc(CC(C)C)n1Cc1ccc(F)cc1 226023389 DOBNFKZWEKCEAT-UHFFFAOYSA-N 289.350 3.661 0 40 CHAB CC(C)C(NC(=S)Nc1ccc(F)cc1F)C(C)C 225327143 FLHQERALMAIOCG-UHFFFAOYSA-N 286.391 3.932 0 40 CHAB CCC(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 41091579 DSQGQZMMUNKKIJ-UHFFFAOYSA-N 284.290 3.982 0 40 CHAB O=C(CCc1ccc(Cl)cc1Cl)N1CCCCC1 44595737 FXZJHEVNYQROGE-UHFFFAOYSA-N 286.202 3.939 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)NCC1CCCCC1 224420640 AOXBSDUPRFRRNZ-CQSZACIVSA-N 289.419 3.713 0 40 CHAB Fc1cccc(F)c1-c1noc(-c2cccnc2Cl)n1 89262761 AGAYRMPELSXVRR-UHFFFAOYSA-N 293.660 3.730 0 40 CHAB CC(C)CO[C@@H](Cc1cccc2ccccc12)C(=O)O 225050033 QXDPFKDIPJKZAL-INIZCTEOSA-N 272.344 3.508 0 40 CHAB CC[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccncc1 96478356 SUYUUTMRVMSOHG-SJORKVTESA-N 270.351 3.949 0 40 CHAB CCCCOc1cc(Br)cc(F)c1F 95915375 FMGMLFDOBXVPNR-UHFFFAOYSA-N 265.097 3.906 0 40 CHAB O[C@H]1CC2(CCC2)Sc2ccc(Br)cc21 238723766 BKPAIHVMSQTRNN-JTQLQIEISA-N 285.206 3.901 0 40 CHAB CC(C)N1CCC[C@@H](c2ccc(-c3nccs3)cn2)C1 257294530 QUOZVFJKXMSBPA-CQSZACIVSA-N 287.432 3.793 0 40 CHAB O=C(COCc1ccccc1)c1cc(F)c(F)c(F)c1 382700345 NVZMDOBAINRYDR-UHFFFAOYSA-N 280.245 3.503 0 40 CHAB O=C(NCc1ccc(-c2ccco2)o1)[C@@H]1CC=CCC1 575607308 ZMUOZAZHTSDMCG-GFCCVEGCSA-N 271.316 3.512 0 40 CHAB CN(Cc1cscn1)[C@H](c1ccccc1)C(F)(F)F 95349682 FMINUCFDRVQQQC-GFCCVEGCSA-N 286.322 3.879 0 40 CHAB O=C(Nc1ccc(Cl)cc1)N1CCC(F)(F)CC1 794754632 FRYJQUXMSFDXRP-UHFFFAOYSA-N 274.698 3.603 0 40 CHAB O[C@@H](CCNc1ccc(Cl)cc1)c1ccccc1 5604327 UPAPSCIMJJKPFM-HNNXBMFYSA-N 261.752 3.876 0 40 CHAB O=C(Nc1cccc2cccnc12)c1cc(Cl)ccn1 8072168 KNUHJCJXFYHUSQ-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB CCCCC(=O)Nc1cc(Cl)c2nc(N)sc2c1 226308705 KRNJJXUCVQXIKU-UHFFFAOYSA-N 283.784 3.661 0 40 CHAB Clc1ccc2nc(N3C[C@H]4CCC[C@H]4C3)oc2c1 1889119593 UYRIVZYJALFLLU-AOOOYVTPSA-N 262.740 3.718 0 40 CHAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F 12949168 QCCULBJXIBXPBO-NXEZZACHSA-N 289.272 3.677 0 40 CHAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccoc1 29027062 WHPRABRYDUIBKB-UHFFFAOYSA-N 271.316 3.853 0 40 CHAB COc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1Cl 32925356 BKPPNHPZACCWAT-JTQLQIEISA-N 282.771 3.612 0 40 CHAB COc1cccc2cc([C@H](C)NCc3ccncc3)oc12 20140569 XCHKGHZLVPUYDM-LBPRGKRZSA-N 282.343 3.687 0 40 CHAB CCN(CC)c1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100622163 KHTYTECZYNVANU-CPUCHLNUSA-N 286.419 3.908 0 40 CHAB COc1ccc2c(c1)[C@](C)(c1ccccc1)C[C@@H](C(=O)O)C2 1615612 AEOUKUJQOHNJCC-LIRRHRJNSA-N 296.366 3.648 0 40 CHAB CN(C(=O)Nc1ccccc1F)C1CCCCC1 1752565 NPAZZAUZSXTOKQ-UHFFFAOYSA-N 250.317 3.622 0 40 CHAB CCCCCOc1ccc2c3c(c(=O)oc2c1)CCC3 1801080 PLCUMZQRYDWROF-UHFFFAOYSA-N 272.344 3.851 0 40 CHAB O=C(SCc1ccco1)c1c(Cl)nc2ccccn12 3230516 LASVLOGWOSOKHU-UHFFFAOYSA-N 292.747 3.654 0 40 CHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 3607826 UXARRBIPDWUSKJ-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB Cc1cccc(C)c1OCC(=O)Nc1cc(F)ccc1F 3611308 JXNWJRMTHWYSIF-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC12CC3CC(CC(C3)C1)C2 102416105 SIWGJTYQZHZSTD-OCGHMNHXSA-N 287.447 3.898 0 40 CHAB C[C@@]1(c2ccccc2)NN=C(Cc2ccccc2)S1 6472555 IGGQEEOWYNHETB-MRXNPFEDSA-N 268.385 3.752 0 40 CHAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(C(F)(F)F)c1 6925923 HAIIAJAXYIKTDK-LOWVWBTDSA-N 297.320 3.871 0 40 CHAB O=C(O)c1ccc(-c2ccc(OC(F)F)cc2)s1 37326656 GEIKDXXXDUHSIO-UHFFFAOYSA-N 270.256 3.715 0 40 CHAB in-vitro Cc1nnc2c3ccccc3nc(-c3ccccc3Cl)n12 1246336 DLULGJAOKRNADW-UHFFFAOYSA-N 294.745 3.906 0 40 CHAB CCc1cccc(C)c1N1C=CC(C)(C)NC1=S 56701202 SMSKXJXOAQXIGG-UHFFFAOYSA-N 260.406 3.544 0 40 CHAB CC(=O)c1ccc(NCC(=O)Nc2cc(C)ccc2C)cc1 12633636 ADTUJPFUMCFDDM-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB O=C(NCCc1cccs1)C1(c2ccccc2)CCCC1 29203571 ZZKQMEXEEMKFMY-UHFFFAOYSA-N 299.439 3.919 0 40 CHAB Cc1[nH]c2ccc(C(=O)NC3CCCCC3)cc2c1C 12923947 QITPMMKQTSSWBQ-UHFFFAOYSA-N 270.376 3.847 0 40 CHAB Cc1nc(-c2ccccc2)sc1-c1ccnn1C 4050605 QKKNLCDXPBSYQV-UHFFFAOYSA-N 255.346 3.519 0 40 CHAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccncc1 17584814 GUDTTXCZRFMQGO-UHFFFAOYSA-N 281.142 3.570 0 40 CHAB O=C(O)c1sc(Cl)cc1CCc1ccccc1 4419586 JXIBEBTURSVSPL-UHFFFAOYSA-N 266.749 3.885 0 40 CHAB CCCCC[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 8764495 AOSRZFRBMVTKJS-LBPRGKRZSA-N 258.365 3.867 0 40 CHAB biogenic Cc1ccc(NC(=O)CCC(=O)c2cccs2)cc1F 6508550 WRBUUPBHAANFKB-UHFFFAOYSA-N 291.347 3.797 0 40 CHAB CCc1ccc(CN2CCc3ccccc3C2)cc1 4690554 LWWCONYXHDHQPK-UHFFFAOYSA-N 251.373 3.807 0 40 CHAB C[C@@H](NC(=O)c1cccnc1)c1cccc2ccccc12 4656402 YHDNUDCCQOADDI-CYBMUJFWSA-N 276.339 3.726 0 40 CHAB Clc1ccc(-c2csc(NNC3=NCCC3)n2)cc1 5715792 MVBHAZOTVBGQKC-UHFFFAOYSA-N 292.795 3.572 0 40 CHAB CCC(C)(C)c1ccc(OC[C@H]2CCCNC2)cc1 19233129 XPCSGDJILQAJRM-AWEZNQCLSA-N 261.409 3.753 0 40 CHAB CCC(CC)C(=O)N1CCc2cc3cccc(C)c3nc21 15841990 JRYCMCCWCZOGDS-UHFFFAOYSA-N 282.387 3.869 0 40 CHAB C[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(Cl)cc1 8036437 CIULGSKADOUBQZ-LLVKDONJSA-N 289.766 3.750 0 40 CHAB Cc1cccc(OC(=O)c2ccc(OC(C)C)nc2)c1F 96002220 MFSCVEFOANOMJN-UHFFFAOYSA-N 289.306 3.536 0 40 CHAB CSc1ccccc1NC(=O)c1cn2ccc(C)cc2n1 9314787 CIABUSRDBJRXAP-UHFFFAOYSA-N 297.383 3.617 0 40 CHAB CN(C(=O)OC(C)(C)C)c1ccc2ccccc2n1 71921559 RTPLOTGMAIZKES-UHFFFAOYSA-N 258.321 3.606 0 40 CHAB FC(F)(F)c1ccc(-n2cc(Br)cn2)cc1 72193384 LMPAUJFYIDBMTG-UHFFFAOYSA-N 291.070 3.654 0 40 CHAB in-vitro Cc1ccoc1C(=O)Oc1cccc(Oc2cccnc2)c1 95456212 SPGGMJFGVRKMBP-UHFFFAOYSA-N 295.294 3.995 0 40 CHAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccco1 9912197 JWCZDFXGSRNPQG-LBPRGKRZSA-N 282.343 3.571 0 40 CHAB CCCCn1c(CCC(=O)O)nc2cc(Cl)ccc21 64874417 IIHYYOGRTFOJSE-UHFFFAOYSA-N 280.755 3.507 0 40 CHAB COc1ccc([C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 38566430 OIHWQVZFNXAMJZ-INIZCTEOSA-N 287.403 3.591 0 40 CHAB O=C(c1ccc(-c2ccco2)o1)N1CCc2ccccc2C1 72243291 SSHFLUWZXKQFQR-UHFFFAOYSA-N 293.322 3.738 0 40 CHAB Fc1ccc(Oc2ccc(Br)cn2)cc1 42249364 AAJHDBCTINSRCO-UHFFFAOYSA-N 268.085 3.776 0 40 CHAB CCOc1ccc(/C=N/Nc2ccccc2)cc1OC 41213075 ZOEYNYDRXRJXRO-SFQUDFHCSA-N 270.332 3.540 0 40 CHAB CC[C@@H](C)CCOC(=O)c1snnc1-c1cccs1 223846387 JNHFXWJKUBFEPU-SECBINFHSA-N 296.417 3.860 0 40 CHAB CCCCc1nnc(CCCC)n1-n1c(C)ccc1C 225150500 JYVABDDDCVKYNB-UHFFFAOYSA-N 274.412 3.693 0 40 CHAB CC(C)(C)OC(=O)Nc1cc(Cl)ncc1Cl 199829163 IRPCYWZEWUDZDN-UHFFFAOYSA-N 263.124 3.735 0 40 CHAB C[C@@H](OC[C@@H]1CO1)c1cc(F)c(Cl)cc1Cl 95096316 GMNNPRMAMBLDBQ-RNFRBKRXSA-N 265.111 3.609 0 40 CHAB COc1ccccc1CN(C)Cc1ccccc1C 48374792 ROZOIOFAPUDALV-UHFFFAOYSA-N 255.361 3.636 0 40 CHAB CCOc1ccc([C@@H]2COc3ccccc3N2)cc1 96531132 UIZCQVRCOIEXMN-HNNXBMFYSA-N 255.317 3.631 0 40 CHAB Cc1nnc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)o1 96493199 VYBVYCGCVRXPCB-DYQSUWPFSA-N 291.782 3.518 0 40 CHAB COC(=O)c1cc2cc(OC(F)(F)F)ccc2s1 90513305 SBWDLPVAPIPKRG-UHFFFAOYSA-N 276.235 3.587 0 40 CHAB Cc1cc(NC(=O)c2cccs2)c2ccccc2n1 16268874 SNJPAXGWJGFBSK-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB F[C@H]1Oc2cc(Cl)c(Cl)cc2OC1(F)F 91252140 LNKLSARNVLCRPV-ZETCQYMHSA-N 259.010 3.653 0 40 CHAB CC[C@@H]1C[C@@H]2[C@](C)(OC=C3CCCC[C@@H]3[C@]2(C)C(=O)O)O1 1772591043 CBIDMVNWAPNTBS-UAHISNFZSA-N 294.391 3.713 0 40 CHAB O=C(Sc1nccc(-c2ccccc2)n1)c1ccco1 5948091 XELSKDQBQJVGOP-UHFFFAOYSA-N 282.324 3.669 0 40 CHAB COc1ccc2c(c1)C=C(C(=O)Nc1ccccc1)C=CO2 15838744 RYXIKWLYJRKHLQ-UHFFFAOYSA-N 293.322 3.623 0 40 CHAB Cc1cccc2sc(N3CCC[C@H](CF)C3)nc12 1307198948 UKEDBQDSMZJCCZ-LLVKDONJSA-N 264.369 3.791 0 40 CHAB O=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1 4358368 APVVKSBTXXDQAK-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB CCOC(=O)CCCC(=O)c1cccc(C(C)(C)C)c1 575357721 NHCJYLXHPDPTQX-UHFFFAOYSA-N 276.376 3.900 0 40 CHAB C[C@]1(O)Cc2cc3c(c(OCc4ccccc4)c21)CCC3 2113462458 SBZYYFHMQCRNCG-IBGZPJMESA-N 280.367 3.518 0 40 CHAB CCOCCCC(=O)Nc1nc2c(C)ccc(C)c2s1 40131073 QOZXBRAPUNUEMR-UHFFFAOYSA-N 292.404 3.668 0 40 CHAB CCCc1noc([C@H](C)Nc2ccc3oc(C)nc3c2)n1 40511390 XIDONPULAGNYLD-VIFPVBQESA-N 286.335 3.645 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(Oc2ncccn2)c1 32027018 AFUQTZITZBNMKD-CYBMUJFWSA-N 295.342 3.564 0 40 CHAB CSc1ccc(C(=O)c2ccccc2CN2CCC2)cc1 2515608 PPEQEZAEFDKMJD-UHFFFAOYSA-N 297.423 3.845 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)nc1 166612 ZDKRADGNGVIHQR-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB COc1ccc(C(=O)Cc2ccc3ccccc3n2)cc1 154034 XEXQEYGNRKJASK-UHFFFAOYSA-N 277.323 3.669 0 40 CHAB CCc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 557443 UEUHNAROMGGDLJ-UHFFFAOYSA-N 293.322 3.608 0 40 CHAB Cc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1 559633 DBQLAAUIQBPRCF-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB O=c1oc2ccccc2cc1-c1nnc(-c2ccccc2)o1 346604 XCWSXFUBKNIMTJ-UHFFFAOYSA-N 290.278 3.510 0 40 CHAB biogenic CCCCOc1c(Cl)cc(C(=O)O)cc1OCC 2656420 GDSHBAGQRADQSZ-UHFFFAOYSA-N 272.728 3.616 0 40 CHAB CCOC(=O)c1cc2c(ccn2C)n1Cc1cccc(C)c1 1337996 BPTMESHFFQCCEU-UHFFFAOYSA-N 296.370 3.513 0 40 CHAB Brc1cccc(C[n+]2ccc3ccccc3c2)c1 21364130 DNEZDTXLEPCRNF-UHFFFAOYSA-N 299.191 3.938 0 40 CHAB O=C(O)c1ccccc1CC1Cc2cc3c(cc2C1)CCC3 1645337 OEYOMJBEZBBMOK-UHFFFAOYSA-N 292.378 3.831 0 40 CHAB CCN(CC)C[C@](CC)(c1ccccc1)C1(O)CCCC1 1670723 CTRJMWKCAXNZAW-GOSISDBHSA-N 289.463 3.981 0 40 CHAB COc1ccc(C)cc1[C@H](C)NCc1nc2ccccc2o1 32797281 KSNCBTNNYNFLCY-ZDUSSCGKSA-N 296.370 3.996 0 40 CHAB CNC(=N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3145409 JGOMVXGYTVQPFM-UHFFFAOYSA-N 262.397 3.532 0 40 CHAB biogenic Cc1ccccc1CCNC(=O)NCCC1=CCCCC1 32862760 NAPLCUOTFSFBMV-UHFFFAOYSA-N 286.419 3.727 0 40 CHAB O=C(Nc1ccc(F)cc1F)[C@H]1C[C@@H]1c1ccccc1 473433 CCHOTFCJTOHMGZ-OLZOCXBDSA-N 273.282 3.707 0 40 CHAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1C1CC1 102728234 GAWUGNRUKAZTNM-UHFFFAOYSA-N 297.383 3.534 0 40 CHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 8041033 METINHSQGKWJMS-INIZCTEOSA-N 297.398 3.729 0 40 CHAB COc1ccc2oc(C(=O)Nc3ccccc3)cc2c1 8166288 UHTZFSOUBQJNJP-UHFFFAOYSA-N 267.284 3.694 0 40 CHAB CCCn1nnc2ccccc2/c1=N\c1ccccc1Cl 104130148 PZILFSANCBKULJ-FBMGVBCBSA-N 298.777 3.727 0 40 CHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCCC3(C)C)cc2)n1 77354495 NYXKIKXAZAPECR-UHFFFAOYSA-N 297.402 3.504 0 40 CHAB COC(=O)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 1388074 NCCVOBXNACGBNN-UHFFFAOYSA-N 296.351 3.659 0 40 CHAB c1ccc(CSCc2nc3ccccc3[nH]2)cc1 1473119 BQVKMWLNEKKQRL-UHFFFAOYSA-N 254.358 3.996 0 40 CHAB Cc1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2)n1 25707528 HGFSNRPLBZFAGC-UHFFFAOYSA-N 296.248 3.541 0 40 CHAB CC(C)OC(=O)c1ccc(-c2ccc(C=O)o2)c(Cl)c1 57351514 GPORPJRFSPLVHY-UHFFFAOYSA-N 292.718 3.978 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)cc(F)c2)o1 43881746 QINXDMGIEZLPTD-SECBINFHSA-N 280.274 3.749 0 40 CHAB CC(C)[C@@H](C)N(C)C(=O)c1cnc(Cl)c(Cl)c1 35239143 BHLWCCGFTICKJR-MRVPVSSYSA-N 275.179 3.505 0 40 CHAB Cc1nn(C(C)C)c(C)c1NCc1ccc2c(c1)CCO2 37787598 RIVOMRCNEFDINF-UHFFFAOYSA-N 285.391 3.628 0 40 CHAB S=C1ON=C(c2ccccc2)/C1=C\Nc1ccccc1 104274885 AQFLHTGXSAAFMM-SDNWHVSQSA-N 280.352 3.744 0 40 CHAB CC[C@@H]1CCCCN1C(=O)CSCc1ccccc1 3257932 XWIMBQDLJOJWDH-OAHLLOKOSA-N 277.433 3.711 0 40 CHAB CCc1ccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)s1 36392266 CGSLDVZPIBHIRA-LLVKDONJSA-N 292.231 3.511 0 40 CHAB CC[C@@H]1CCCCN1CC(=O)c1ccc(Cl)s1 3306946 YEXVPVSIPDASRF-SNVBAGLBSA-N 271.813 3.849 0 40 CHAB Cc1csc(CNc2nc3ccccc3s2)n1 37979623 DSTMTUDGCWVGNO-UHFFFAOYSA-N 261.375 3.673 0 40 CHAB O=C(Nc1cccc2cccnc12)[C@@H]1CC=CCC1 8428878 AXHZBQBLLUWLLY-CYBMUJFWSA-N 252.317 3.530 0 40 CHAB CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 14162150 PQTKAEIVSMJYCD-UHFFFAOYSA-N 270.279 3.884 0 40 CHAB CC(C)CCNC(=O)c1ccccc1C(=O)c1ccccc1 8714258 MZVFUHADNRFYLC-UHFFFAOYSA-N 295.382 3.694 0 40 CHAB C[C@]12CC[C@H]3[C@@H](C=C[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 118936210 XGWRPPUOKMMEOO-KHOSGYARSA-N 290.447 3.527 0 40 CHAB Cc1ccc(C)c(SCc2cc(=O)n3ccccc3n2)c1 15346283 LARANZXTXLZLOL-UHFFFAOYSA-N 296.395 3.604 0 40 CHAB O=C(CCc1ccccc1)Nc1cccc2cccnc12 8851758 PORBEERCKMTFBX-UHFFFAOYSA-N 276.339 3.806 0 40 CHAB Cc1cc(C(=O)N2CC[C@@H](C)Nc3ccccc32)c(C)o1 78875540 IXTMSHDMWQFIQH-LLVKDONJSA-N 284.359 3.747 0 40 CHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1F 28304961 HEPQASRSEANZID-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1c1ccc(F)cc1 71835207 ATEVPZOJIBNDIH-BZUAXINKSA-N 299.345 3.886 0 40 CHAB Cc1ccccc1CC(=O)Nc1cc(-c2cccs2)n[nH]1 72272852 WSSRXJZMPJVCDR-UHFFFAOYSA-N 297.383 3.628 0 40 CHAB Cc1oc(-c2cccs2)nc1CS[C@@H](C)[C@@H](C)O 79060059 WDVVCCSIBYNXJW-SCZZXKLOSA-N 283.418 3.714 0 40 CHAB CCNc1cc(C(=O)Nc2ccccc2)ccc1C 75103406 HVVLGYIPALUKHE-UHFFFAOYSA-N 254.333 3.679 0 40 CHAB C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)CCc1ccco1 75145811 LIILRSNQPZLPQT-GXTWGEPZSA-N 289.400 3.678 0 40 CHAB CC(C)Cc1nc(Cl)nn1-c1ccc(Cl)cc1 22125696 POQUOGRXCORAGN-UHFFFAOYSA-N 270.163 3.773 0 40 CHAB CCC(CC)n1ccc(C(=O)O[C@@H](C)c2ccccn2)n1 89943256 RCGDILYAZCALRE-LBPRGKRZSA-N 287.363 3.557 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1C 408730877 JUGPBGJOHUPSCZ-UHFFFAOYSA-N 293.370 3.751 0 40 CHAB O=C1O[C@H](c2ccccc2)Cc2cccc(Cl)c21 3848082 TXUGHBPYVSYTDQ-ZDUSSCGKSA-N 258.704 3.794 0 40 CHAB biogenic CC(C)Oc1cc(C(=O)N2CCCCC2)cc2occc12 72240212 RUIACRZHEKQZJX-UHFFFAOYSA-N 287.359 3.846 0 40 CHAB CCCN1CCCC[C@H]1c1cc(OC)ccc1OC 72221884 NRXFBSZHTWEPNJ-HNNXBMFYSA-N 263.381 3.641 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)cc2)c2cccnc12 31091685 QQARSTRHBYKSHT-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB O=C(Cc1ccccc1Cl)N1CC[C@H](c2ccccc2)C1 38567053 FHGKKJDHEDLAIJ-INIZCTEOSA-N 299.801 3.899 0 40 CHAB COc1ccc(OC)c(-c2nc3cc(Cl)ccc3[nH]2)c1 70270089 JJJMASRPZJMWDC-UHFFFAOYSA-N 288.734 3.901 0 40 CHAB CCCN1c2cc(OC)c(C(=O)O)cc2[C@@H](C)CC1(C)C 223779145 MSLGODOIROSKIY-NSHDSACASA-N 291.391 3.896 0 40 CHAB O=Cc1cc(-c2ccccc2)ccc1OCC1CC1 42784124 ZVAGFMNQDNHXMY-UHFFFAOYSA-N 252.313 3.955 0 40 CHAB CCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)on1 95949843 XKCHYHLRNPHDPD-UHFFFAOYSA-N 285.221 3.537 0 40 CHAB CCc1ccc([C@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)o1 90542111 ZZDNZXRLQJBYGM-HEHGZKQESA-N 295.448 3.547 0 40 CHAB C[C@]12CC[C@@H]3[C@H](C[C@H](O)[C@]45C[C@@H]4CC[C@@]35C)[C@H]1CCC2=O 257345938 NIDVKCKYZAQGOI-BDUCUMRISA-N 288.431 3.569 0 40 CHAB CS[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 31663446 REXMHSKRYHAKRB-LURJTMIESA-N 264.177 3.683 0 40 CHAB Cc1ccc(C)c(C(=O)[C@H](O)c2cc(C)ccc2C)c1 1710985 QUVANMPSSGWWDD-QGZVFWFLSA-N 268.356 3.837 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2cccc(C)c2)c(OC)c1 147234 XZYMCKCLSWEUIZ-CSKARUKUSA-N 297.354 3.664 0 40 CHAB Cc1ccccc1NCc1nnc(-c2ccccc2)o1 4247701 GOLWNUPNHPGLIC-UHFFFAOYSA-N 265.316 3.657 0 40 CHAB CSc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 11422533 IHMRNEICEKFTOS-UHFFFAOYSA-N 290.413 3.881 0 40 CHAB Cc1ccc(-c2nnc(NC3CCCC3)s2)cc1 5015656 DWMOFIRBSCDADM-UHFFFAOYSA-N 259.378 3.868 0 40 CHAB Cn1cc(NC(=O)NC2CCCCC2)c2ccccc21 5265678 LWNKXBMMUVYKNE-UHFFFAOYSA-N 271.364 3.633 0 40 CHAB Brc1ccc2c(Br)c[nH]c2c1 13450446 PJAIMBYNTXNOCN-UHFFFAOYSA-N 274.943 3.693 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)N1CCC[C@@H](C)C1 13649115 ZKSXOSUUPUKLQA-KGLIPLIRSA-N 277.433 3.567 0 40 CHAB Cc1ccc(CN(Cc2sccc2C)C[C@H](C)O)s1 13991518 GZLALKNPGIAFGK-LBPRGKRZSA-N 295.473 3.809 0 40 CHAB Cc1ccc(Cc2c(C)nn(-c3ccc(F)cc3)c2O)cc1 14162662 DQIPXHKIHGQRNH-UHFFFAOYSA-N 296.345 3.925 0 40 CHAB O=C(c1c(F)cccc1F)N1CCC[C@H]1c1ccco1 15835951 JENMGTSYQVPUQD-LBPRGKRZSA-N 277.270 3.535 0 40 CHAB COc1ccc(OC)c(/C=C/c2cnnc3ccccc23)c1 1659821 VKBHPOSMLJQUEV-BQYQJAHWSA-N 292.338 3.817 0 40 CHAB O=C(NCc1ccc(F)cc1)c1cc2ccccc2o1 3551592 FVQLDFLFMBSNAV-UHFFFAOYSA-N 269.275 3.502 0 40 CHAB Cc1ccc(C)n1NC(=O)c1ccc(Cl)c(Cl)c1 20131513 GSQSVVLNMHZLLN-UHFFFAOYSA-N 283.158 3.796 0 40 CHAB CC(C)(C)C(=O)Nc1ccccc1SCCCC(=O)O 8732845 OIHXQAFBPGNDSW-UHFFFAOYSA-N 295.404 3.628 0 40 CHAB CC(C)CC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 192800 QOVZOJSJODMHSI-UHFFFAOYSA-N 295.342 3.874 0 40 CHAB c1cc(OC2CCCC2)ccc1N[C@@H]1CN2CCC1CC2 37016159 QTRZWNKSZCFYFU-GOSISDBHSA-N 286.419 3.514 0 40 CHAB Clc1nc(Cl)c2c3c(sc2n1)CCCC3 1560365 CPWQCJFDDILDOU-UHFFFAOYSA-N 259.161 3.877 0 40 CHAB Cc1ccc([C@]2(c3ccccc3)O[C@H]3OC=C[C@H]32)cc1 1587210 IKZQQMRJOBQRKS-KURKYZTESA-N 264.324 3.755 0 40 CHAB CN(C)CCCOc1ccc(OCc2ccccc2)cc1 3363309 QKRRRCYPBMVCRM-UHFFFAOYSA-N 285.387 3.596 0 40 CHAB O=C(O)c1ccc(COc2ccccc2Cl)cc1 4165441 YJDZJDKPESDFTK-UHFFFAOYSA-N 262.692 3.617 0 40 CHAB CC(=O)Nc1ccc(C(=O)N[C@H](C)CCCC(C)C)s1 32865931 DUTWVQJCZUNHDL-LLVKDONJSA-N 296.436 3.651 0 40 CHAB O=C(C1CCCCC1)N1CCC(c2ccccc2)CC1 6864092 ILKDBLISGVHPFQ-UHFFFAOYSA-N 271.404 3.973 0 40 CHAB CCCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1 8560964 RMHWFEUWSYCNHK-AWEZNQCLSA-N 283.371 3.966 0 40 CHAB Cc1ccccc1NC(=O)[C@]12C[C@@H]3CC[C@]1(C)[C@@]3(C)CO2 100749594 VEXFIHOUSZHFJY-VIBAHUMZSA-N 285.387 3.529 0 40 CHAB Cc1noc(C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c1Cl 101466476 OOOALQBGZHYFSP-ZUZCIYMTSA-N 296.798 3.677 0 40 CHAB Cc1ccc2[nH]c3c(N4CCC[C@H](C)C4)ncnc3c2c1 501589 OQXPUDOARLYDPL-LBPRGKRZSA-N 280.375 3.656 0 40 CHAB CCO[P@@](=O)(CC(=O)c1ccccc1)c1ccccc1 520087 MTDWPJWDQAEDMU-FQEVSTJZSA-N 288.283 3.509 0 40 CHAB CCCc1noc2nc(-c3cccs3)cc(C(=O)O)c12 20081490 QOXLOKUUZXHCKA-UHFFFAOYSA-N 288.328 3.602 0 40 CHAB CC1=NN(c2ccc(C(=O)N3CCCCCCC3)cc2)CC1 77925030 SYHBKMKZTMLDAH-UHFFFAOYSA-N 299.418 3.679 0 40 CHAB Cc1cccc(CN2CCSc3sccc3C2=O)c1 1403645 JJQWKNIRKNHYAP-UHFFFAOYSA-N 289.425 3.805 0 40 CHAB O=C(Nc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1C(=O)O 1513352 HWPAEJWYKJFXBY-JKSUJKDBSA-N 297.354 3.669 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1cccnc1 10262213 OCCLXCXTCCQFBZ-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB Cc1ccc(-c2nc(COc3ccccc3C)n[nH]2)cc1 17877591 AFFBHQDDVMRLKE-UHFFFAOYSA-N 279.343 3.668 0 40 CHAB c1ccc2c(Oc3ccc4c(c3)CCC4)ncnc2c1 48324113 ORKMIABOGHTDRT-UHFFFAOYSA-N 262.312 3.911 0 40 CHAB Cc1cc(NC(=O)c2ccsc2)n(Cc2ccccc2)n1 12893197 KEFPZOAQVLLERD-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB CN(Cc1cccs1)C(=O)c1ccc2ccccc2n1 3413632 IOFJWBATERBCAV-UHFFFAOYSA-N 282.368 3.569 0 40 CHAB Cc1nc(-c2ccc(NC(=O)C[C@H]3C=CCC3)cc2)co1 12905615 QKMKWVQATMWTDZ-ZDUSSCGKSA-N 282.343 3.945 0 40 CHAB Cc1occc1C(=O)Nc1ccc(OC(C)C)cc1 48600878 NDSRYCIKMRJNNS-UHFFFAOYSA-N 259.305 3.628 0 40 CHAB Cc1cccc(C(=O)O)c1NC(=O)c1cc2ccccc2o1 13432321 VKXPNTPSWNTBKW-UHFFFAOYSA-N 295.294 3.692 0 40 CHAB CCCCc1nnc2sc(-c3cc4ccccc4[nH]3)nn12 13682560 FXUUCLKVQOOUAW-UHFFFAOYSA-N 297.387 3.677 0 40 CHAB O=C(Nc1ccccc1F)Nc1cccnc1Cl 6222447 JFJCBYAOAWAQRJ-UHFFFAOYSA-N 265.675 3.518 0 40 CHAB COCc1cccc(CNCc2cccc3[nH]ccc23)c1 70938918 OAUQAILWZPODCT-UHFFFAOYSA-N 280.371 3.604 0 40 CHAB C1CCC(N2CCC(N3CCCCCC3)CC2)CC1 4703447 BSGAUFJEHNSTJX-UHFFFAOYSA-N 264.457 3.660 0 40 CHAB Cc1ccccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 15629088 DYKXIUSZPUYMED-OAHLLOKOSA-N 287.746 3.591 0 40 CHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC=CCC1 7655643 ZDZYFAKFUUALKT-SNVBAGLBSA-N 265.740 3.643 0 40 CHAB O=C(O)c1ccccc1/C(F)=C(\F)C(F)(F)F 19735237 CUOKTXDAPACOKH-BQYQJAHWSA-N 252.138 3.555 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2C)c1C 7987295 DQUWHAOTEXHLPM-UHFFFAOYSA-N 284.359 3.703 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1F 9364687 RTDCNLLOQNWWLM-KGLIPLIRSA-N 299.345 3.885 0 40 CHAB Cc1ccc(CNc2ccn([C@H](C)c3ccccc3)n2)nc1 95418587 YHDHGVRDRZKMJV-OAHLLOKOSA-N 292.386 3.808 0 40 CHAB CN(C(=O)c1cccc2ccccc12)c1cccnc1 74078409 MUJYWHKMFKYFKQ-UHFFFAOYSA-N 262.312 3.511 0 40 CHAB CC(C)C[C@H](NC(=O)COc1ccccc1)c1ccccc1 20495778 AHCZBIMBMGQNSA-SFHVURJKSA-N 297.398 3.969 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1ccccc1 20494137 TZZPOGIOAWZDOS-KRWDZBQOSA-N 297.398 3.811 0 40 CHAB CCCOc1ccc(C(=S)NCCc2ccccc2)cc1 408577168 RMZHTMZLESZILJ-UHFFFAOYSA-N 299.439 3.983 0 40 CHAB CC(C)(C(=O)O)[C@@H](c1ccccc1)[C@H]1CCCCC1=O 3850131 AJVFOGGGBHLTOF-ZFWWWQNUSA-N 274.360 3.640 0 40 CHAB biogenic CC[C@H](O)c1cnc(Sc2ccccc2)cc1C 72223182 YWTWCGPEVPKBJR-AWEZNQCLSA-N 259.374 3.985 0 40 CHAB Cc1ccc([C@H]2N(C#N)N=CN2c2ccc(C)cc2)cc1 71404911 RQASXXZGDWRTKZ-QGZVFWFLSA-N 276.343 3.549 0 40 CHAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1 41091211 RNMDRKWBPMXLNI-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Cc1ccncc1C(=O)c1ccc(Cl)cc1Cl 45029031 ZIIIHEGBCGICQI-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB O=C(O)c1sc2cc(Br)oc2c1Cl 228967399 YZKZXKWFFFBOPR-UHFFFAOYSA-N 281.514 3.608 0 40 CHAB CC(C)(C)SCC(=O)Nc1c(F)cccc1NC1CC1 96468130 DHCFCKBOBWYCTA-UHFFFAOYSA-N 296.411 3.870 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccc(SC)cc2)c1 95916729 PBJCBHFRBUMNCJ-UHFFFAOYSA-N 288.368 3.657 0 40 CHAB CC(C)=CC(=O)N(Cc1cccnc1)Cc1ccccc1C 59920242 GOQPMMWKRCWDAN-UHFFFAOYSA-N 294.398 3.885 0 40 CHAB C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc2c(c1)CCO2 84691862 VRQMBWWRVWSHOI-WFASDCNBSA-N 288.391 3.664 0 40 CHAB CCOc1ccccc1NC(=O)c1ccc(Cl)o1 12980696 VKVFXYZUMHFBJG-UHFFFAOYSA-N 265.696 3.584 0 40 CHAB COc1ccc(/C(=C\[S@@](C)=O)c2cccs2)cc1 17109618 XEUWRDIQJDFOCT-HGZMWJMZSA-N 278.398 3.524 0 40 CHAB C[C@H]1CC[C@@H](C)N1c1ccc(N2CCCCC2)c(N)c1 17957899 ZPGCBYCQHPDAGN-OKILXGFUSA-N 273.424 3.636 0 40 CHAB Cc1cc(C(=O)NCCc2ccc(C(C)C)cc2)c(C)o1 15536174 RMXRCAVGZMDSNR-UHFFFAOYSA-N 285.387 3.992 0 40 CHAB CCCCC[C@@H](/C=C/C(=O)OCC)O[C@@H]1CCCCO1 1857788556 GSEOPYZMKPSQQR-IXVOVUJJSA-N 284.396 3.598 0 40 CHAB CCCCC[C@]1(C)NC(=S)N(c2ccc(Cl)cc2)N1 6783059 ISRBXXCUXQFMDW-CQSZACIVSA-N 297.855 3.836 0 40 CHAB Cc1cc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c(C)o1 29278688 COVMUUAPTSITBV-UHFFFAOYSA-N 281.315 3.539 0 40 CHAB Nc1ccc2ccn(Cc3ccc(Cl)cc3)c2c1 37222392 AWTQRRARYGHVGP-UHFFFAOYSA-N 256.736 3.925 0 40 CHAB O=C(Cc1cccs1)N(Cc1cccs1)C1CC1 40069888 YLPPAZIQADIUKL-UHFFFAOYSA-N 277.414 3.543 0 40 CHAB COc1ccccc1/C=C/C(=O)Nc1cc(C)cc(C)c1 149609 IDFIOBPTHWZAJL-CMDGGOBGSA-N 281.355 3.964 0 40 CHAB O=C(COc1ccc(Cl)cc1)Nc1c(F)cccc1F 562912 MMVMRASQNGRKQY-UHFFFAOYSA-N 297.688 3.636 0 40 CHAB C[C@@H](NC(=O)c1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102181832 QZSIDWSBUWMMLM-UHXUPSOCSA-N 277.795 3.895 0 40 CHAB CCc1ccccc1N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C 3097278 WJRPGDRTJITICN-ACJLOTCBSA-N 285.387 3.565 0 40 CHAB CC[C@H](C)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7539011 FFRRQBGOGMAISU-LBPRGKRZSA-N 287.359 3.621 0 40 CHAB CC1(C)[C@@H]2CC=C(COC(=O)c3ccccc3)[C@@H]1C2 100363826 YUXLMPQJQGGWGZ-CABCVRRESA-N 256.345 3.836 0 40 CHAB O=C(c1cc(-c2ccccc2)no1)N1CCc2ccccc21 32922752 RSKSDCAIOQASSM-UHFFFAOYSA-N 290.322 3.545 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3)nc2)c1 22389216 KTCAIAWRGSIZHL-UHFFFAOYSA-N 295.386 3.551 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1csc(-c2ccsc2)n1 23177671 VWWSJIVYDGITRM-SNVBAGLBSA-N 292.429 3.886 0 40 CHAB O=C(/C=C/c1cccs1)Nc1ccc(F)c(F)c1F 3208369 NEPXMSQKBKCPML-ZZXKWVIFSA-N 283.274 3.817 0 40 CHAB Nc1onc(-c2ccc(F)cc2)c1-c1ccccc1 26512506 XCJRPTVOHSWTQN-UHFFFAOYSA-N 254.264 3.730 0 40 CHAB in-vitro Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1F 12820617 PIUXGELBHYLGTC-GFCCVEGCSA-N 269.319 3.726 0 40 CHAB Cc1ccc2c(CC(=O)Nc3ccccc3)coc2c1 3480934 TVROPEQBFDCOQA-UHFFFAOYSA-N 265.312 3.922 0 40 CHAB Cc1cc(C)cc(C2=CCN(C(=O)c3ccoc3)CC2)c1 91822772 PEWXKNGXMIAAPH-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB O=C(Nc1ccc2ccccc2c1)c1n[nH]c2c1CCCC2 8739732 QAEDPOXHCUFTPU-UHFFFAOYSA-N 291.354 3.694 0 40 CHAB O=C(O)/C=C/c1ccc(-c2ccccc2OC(F)(F)F)o1 5515107 NZKLTODPPZSQAT-SOFGYWHQSA-N 298.216 3.943 0 40 CHAB CC(=O)c1cccc(NCC(=O)Nc2cccc(C)c2C)c1 4903894 WRURLLPTNFNPJG-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB CCC[C@@H](C)NC(=O)CSCc1ccc(C)cc1 6945442 OURYJBFCBISFHS-CYBMUJFWSA-N 265.422 3.533 0 40 CHAB Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1Cl 7653758 HYJMOLSBYAWIHA-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CC(C)c1cccc(C(C)C)c1NC(=O)c1cnccn1 7668976 VDJSPFBHRJJQTA-UHFFFAOYSA-N 283.375 3.976 0 40 CHAB COC(=O)C1(c2ccc(Cl)cc2)CCCCC1 9280734 SHDCRBFNUMCGRF-UHFFFAOYSA-N 252.741 3.715 0 40 CHAB COc1ccnc(CSCc2nc(C)c(C)s2)c1 97161792 YYYBPQXWYHMPNR-UHFFFAOYSA-N 280.418 3.597 0 40 CHAB O=C(c1ccoc1)N(CC(F)F)c1cccc(Cl)c1 84804166 YPIRYALSIXSOTQ-UHFFFAOYSA-N 285.677 3.845 0 40 CHAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](O)[C@@H]2O 118933802 ZWUOTDQQNZPUOC-GCXXXECGSA-N 290.447 3.527 0 40 CHAB Cc1cccc(N(C)C(=O)[C@@H]2Cc3ccccc3S2)c1C 515667970 AEMJVNYFMCIVCK-KRWDZBQOSA-N 297.423 3.983 0 40 CHAB C[C@@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)NCCC[C@H]12 33702323 GWLZIXUQGCRFNW-PKRLLGJHSA-N 289.463 3.652 0 40 CHAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)CC 216247173 BOJXHHIQIVQAGZ-CJNGLKHVSA-N 285.387 3.912 0 40 CHAB CCN1CC=C(c2nc3cc(Cl)ccc3o2)CC1 73636021 KCBWEDSXKIJTRA-UHFFFAOYSA-N 262.740 3.590 0 40 CHAB CCCCNCc1ccc(OCC(C)C)c(OC)c1 32114206 NXCAZBXITDNXAF-UHFFFAOYSA-N 265.397 3.620 0 40 CHAB CCSc1nc(N)cc(Nc2cccc(Cl)c2)n1 49467487 PZONJMARKQQWCA-UHFFFAOYSA-N 280.784 3.568 0 40 CHAB CCNc1ccc2nc(-c3ccc(OC)cc3)oc2c1 226284343 RNEVMKJQWXEEDH-UHFFFAOYSA-N 268.316 3.935 0 40 CHAB Cc1ccc(-c2ccc(Br)cc2F)nc1 45028360 HODSQTQDHLRTJT-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB Cc1ccc(Nc2ccc(C(=O)OC(C)C)cc2N)cc1 225417418 FRKVUKIHCRWZNE-UHFFFAOYSA-N 284.359 3.886 0 40 CHAB CC[C@@H](NC(=O)NC1CCCCC1)c1ccc(OC)cc1 225755579 CLTTTXPHCUXXQF-MRXNPFEDSA-N 290.407 3.778 0 40 CHAB CN(C)C(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 225253246 XBTWGEQJKLUUES-UHFFFAOYSA-N 299.761 3.585 0 40 CHAB CC(C)n1ncc2ccc(NC(=O)NCc3ccco3)cc21 194794277 IZYLGZCJICGWPZ-UHFFFAOYSA-N 298.346 3.532 0 40 CHAB CCOC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 85398378 HHOSEZMBBQNNJH-UHFFFAOYSA-N 294.354 3.969 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)O[C@H](C)C1 40526116 CIHORNHWHVMWPW-OKILXGFUSA-N 290.407 3.760 0 40 CHAB COc1cccc(CCC(=O)c2ccc(OC)c(F)c2)c1 199731927 USSICHKRBXJJPI-UHFFFAOYSA-N 288.318 3.658 0 40 CHAB C[C@@H]1CC(=O)c2cnn(-c3cc(Cl)cc(Cl)c3)c2C1 199729424 RJHXBFDNSRFQLO-QMMMGPOBSA-N 295.169 3.944 0 40 CHAB CN(Cc1ccncc1)[C@H](c1ccccc1)c1ccccn1 95431938 AUMJLQTXCYILJD-LJQANCHMSA-N 289.382 3.698 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1c(F)cccc1F 89064206 WQKJDJGQDOVCPG-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)nc1)Nc1cccs1 390831814 VFDIMCMDKWVVML-UHFFFAOYSA-N 299.355 3.725 0 40 CHAB O=C(c1ccc(F)cc1F)N1CC[C@H](c2cccs2)C1 826573216 CTRHCDUYHPSMGV-JTQLQIEISA-N 293.338 3.656 0 40 CHAB C[C@H](NCCc1cccc2cccnc12)c1ccco1 89910123 LGBGFIZBWHFYBZ-ZDUSSCGKSA-N 266.344 3.721 0 40 CHAB Cc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1 226346813 AKBJMBRPOXXOEQ-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CCc1c(C)nc2c(-c3cccs3)c(C)nn2c1C 12115640 CASRWQBTTPBPKB-UHFFFAOYSA-N 271.389 3.945 0 40 CHAB COc1cccc(O)c2c(C)[n+](-c3ccc(C)cc3)c(C)c1-2 17145606 RVBNYTVOSZMBIB-UHFFFAOYSA-O 294.374 3.708 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(F)c(F)c1 19074394 PJESMCPWNUFOSF-INIZCTEOSA-N 287.309 3.772 0 40 CHAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1 21695512 CIPIVKVHYSAXLA-UHFFFAOYSA-N 285.318 3.505 0 40 CHAB CCC(=O)c1cccc(OCc2cccc(F)c2)c1 575242839 PALCWTOLLWOGFK-UHFFFAOYSA-N 258.292 3.997 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)C12CC3CC(CC(C3)C1)C2 6183696 WKNPJADWMJGKKT-ZAOZSLGCSA-N 275.436 3.992 0 40 CHAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1-c1ccco1 100887963 BMFYLIVNFBIFOS-BJDJZHNGSA-N 289.404 3.824 0 40 CHAB in-vitro O=C(c1ccc(-c2ccccc2)cc1)n1nnc2ccccc21 293041 FZHIYZAKANBLCK-UHFFFAOYSA-N 299.333 3.787 0 40 CHAB O=C(NCCc1nc(C2CCCCC2)cs1)C1CCC1 75610150 CLHCTYWWNKYGIZ-UHFFFAOYSA-N 292.448 3.650 0 40 CHAB COc1ccc(C(=O)Oc2cc(C)ccc2C)cc1OC 365035 LYPAHJSMJCHJNC-UHFFFAOYSA-N 286.327 3.540 0 40 CHAB CCOc1ccccc1C(=O)Oc1cccc(C)c1 1017220 DZSOYIFSXKUGED-UHFFFAOYSA-N 256.301 3.613 0 40 CHAB CCOCc1ccccc1NC(=O)N[C@H](C)c1ccccn1 52468554 VDUNKRRPVOMWAJ-CYBMUJFWSA-N 299.374 3.501 0 40 CHAB C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@H]2O 4428374 NLLMJANWPUQQTA-UBDQQSCGSA-N 270.372 3.529 0 40 CHAB in-vitro CC(C)CCOC(=O)CCCCC(=O)OCCC(C)C 4722488 HIEOGLNFUKBFCF-UHFFFAOYSA-N 286.412 3.725 0 40 CHAB C[C@H]1CC[C@H](C)N1c1ccc(N2CCCCC2)c(N)c1 8701416 ZPGCBYCQHPDAGN-KBPBESRZSA-N 273.424 3.636 0 40 CHAB CC1=C[C@@H](C)C2(COC(c3ccco3)OC2)[C@H](C)C1 517868 HDOZYLVTCNXYDZ-KCNJBTMXSA-N 262.349 3.934 0 40 CHAB biogenic O=C(/C=C/c1ccccc1)Nc1cccc2cccnc12 556601 CTPSLLCFINSULA-VAWYXSNFSA-N 274.323 3.887 0 40 CHAB O=Cc1ccc(-c2ccccc2Br)cc1 1257408 ZJESBIYQYKDPMD-UHFFFAOYSA-N 261.118 3.929 0 40 CHAB Cc1cc(Br)ccc1N1CCCCC1 114598273 RJPUFKBRNGSMSP-UHFFFAOYSA-N 254.171 3.748 0 40 CHAB O=c1[nH]c(-c2ccccc2)ncc1Cc1ccc(Cl)cc1 22606763 WLLUEFOMGYBVPT-UHFFFAOYSA-N 296.757 3.681 0 40 CHAB CCCCNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 8209096 GPKJLHANLXXQCL-UHFFFAOYSA-N 287.388 3.517 0 40 CHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccn1 8279102 XOZZZKCRUPSZHG-NSHDSACASA-N 297.383 3.525 0 40 CHAB Cc1cccc(CSCC(=O)NCc2ccccc2C)c1 28327217 BHVVYCLXWNRKPR-UHFFFAOYSA-N 299.439 3.853 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1ccc2nsnc2c1 21595402 YJHVMEWLHKCVEC-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB O=C(NCCc1ccco1)c1cc2c(s1)CCCCC2 8231305 PYQAXURQPBAVDF-UHFFFAOYSA-N 289.400 3.583 0 40 CHAB Cc1ccc(C(=O)Nc2nnc(-c3ccoc3C)o2)cc1C 12974332 UDSHXYVBHQFGSQ-UHFFFAOYSA-N 297.314 3.507 0 40 CHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(F)c1 48652481 UTYPWAUEGMFIJQ-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB CC(C)C[C@@H](CN(C)C)NCc1cnc(C(C)(C)C)s1 62838958 JYCSABBOWQBSAU-ZDUSSCGKSA-N 297.512 3.507 0 40 CHAB Cc1cnc(NC(=O)c2sccc2C(C)C)s1 48877425 VHGGAKXUDPDVSF-UHFFFAOYSA-N 266.391 3.889 0 40 CHAB FC(F)(F)c1ccnc(NCc2ccccc2Cl)n1 70250145 LFHQIVHLTKBDAM-UHFFFAOYSA-N 287.672 3.761 0 40 CHAB COCc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 5279047 TYIMXNRGFVZIGZ-GOSISDBHSA-N 295.382 3.640 0 40 CHAB CCCCC(=O)Nc1ccc(Br)cc1F 4666167 RPBOMRZSTXGSNK-UHFFFAOYSA-N 274.133 3.717 0 40 CHAB CCSc1nc(N)c2c3c(sc2n1)CC[C@@H](C)C3 4734472 IJLNSCLDPKPUPS-SSDOTTSWSA-N 279.434 3.510 0 40 CHAB CCc1cccc(C)c1NC(=O)[C@@H]1CC1(Cl)Cl 7653282 XAHBCDYZFXSDFJ-JTQLQIEISA-N 272.175 3.690 0 40 CHAB CNc1nc(-c2cc(C)n(CC(F)(F)F)c2C)cs1 7844438 CUFZSXYIGWWVFU-UHFFFAOYSA-N 289.326 3.832 0 40 CHAB COc1ccc(Cl)cc1C(=O)NCc1ccccc1C 7977058 YONCIJFVYFRCGL-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3)o2)cs1 9314222 OUXDRGYVVSEPET-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB Cc1sc2ncnc(Nc3cccc(CO)c3)c2c1C 9322605 BXWJUNGDMDFQEZ-UHFFFAOYSA-N 285.372 3.544 0 40 CHAB CC(C)NC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccn1 71883995 MSVWPVZFCBNKLM-HNNXBMFYSA-N 297.402 3.763 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1nc2cc(C(C)(C)C)ccc2o1 72311649 NAWDUQHIPUANJR-MWLCHTKSSA-N 272.348 3.720 0 40 CHAB CC(C)c1ccc2nc([C@@H]3CCCS3)[nH]c(=O)c2c1 84625230 HWURKUWBCOZLJQ-ZDUSSCGKSA-N 274.389 3.615 0 40 CHAB C[C@@H](NCc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 95419222 NHHYBIQVKLMCNC-CYBMUJFWSA-N 294.398 3.767 0 40 CHAB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccnc2)C1 98014244 GUUKMVXAFFDKNI-MLGOLLRUSA-N 299.349 3.836 0 40 CHAB CCn1cccc1/C=C1/SC(=O)N(c2ccccc2)C1=O 408965807 MGSIWNVCMOSGFB-SDNWHVSQSA-N 298.367 3.749 0 40 CHAB Cc1cc(Cl)n2nc(C)c(-c3ccccc3)c2n1 31775872 JOISBKFSEWNWGJ-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB C[C@@H](NC(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1 3188839 SGLFHXKQHRRGFV-SSDOTTSWSA-N 299.214 3.605 0 40 CHAB biogenic CCC(CC)CCCN(C)C(=O)c1ccn(CC(C)C)n1 1530313149 RBVVBADOWLDKMD-UHFFFAOYSA-N 293.455 3.828 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4C=C[C@H]3[C@@H]1CCC2=O 4706353 WTRRIQCGCGCMQA-CBZIJGRNSA-N 268.356 3.898 0 40 CHAB biogenic,in-vitro C[C@@H](Sc1ccc(-n2ccnc2)nn1)c1ccccc1 70635258 GILHJJKVPSTHTG-GFCCVEGCSA-N 282.372 3.516 0 40 CHAB Cc1cnccc1NC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 120508481 QTGRWTKZRXHEST-WFASDCNBSA-N 299.374 3.988 0 40 CHAB Cc1ccc(N)cc1Nc1nc(-c2cccnc2)cs1 36241999 JKQOCRHWVAAVFB-UHFFFAOYSA-N 282.372 3.839 0 40 CHAB Cc1cncc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 72211368 RZDPYXIBZMPCLH-AWEZNQCLSA-N 276.380 3.852 0 40 CHAB COC(=O)[C@@H](C)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223193023 DGANVYFZCVIYCA-CQSZACIVSA-N 287.403 3.867 0 40 CHAB COc1ccc(NC(=O)C2(Sc3ccccc3)CC2)cc1 225960257 RWJABLWUZFIVHD-UHFFFAOYSA-N 299.395 3.959 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)C(C)C 225217905 VOMVGIXNNLTEMI-GJZGRUSLSA-N 277.408 3.622 0 40 CHAB CCc1ccccc1C[C@H](Oc1cccc(C)c1)C(=O)O 225039395 ALDZGJVNKHGPNW-KRWDZBQOSA-N 284.355 3.632 0 40 CHAB CCCC[C@@H](CC)CNC(=O)COc1ccc(F)cc1 85423424 ABSGOLRSNPEJPM-CYBMUJFWSA-N 281.371 3.537 0 40 CHAB COc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225637111 AIUJEEPHBOLOMB-SJCJKPOMSA-N 291.391 3.537 0 40 CHAB CN(C(=O)c1cc(-c2ccccc2)no1)c1ccccc1 40090239 MQAUBZHBXOFSGM-UHFFFAOYSA-N 278.311 3.618 0 40 CHAB COc1ccc(Cc2ncc(-c3cccs3)[nH]2)cc1 82204911 JKLYOEXBRHBUOI-UHFFFAOYSA-N 270.357 3.738 0 40 CHAB CC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1C 225540883 PVHHWYNYPQEDKO-KRWDZBQOSA-N 285.362 3.944 0 40 CHAB CC(C)Cn1c(Cl)nc2sc3c(c2c1=O)CCCC3 96517637 ATKUPAAYTJMOAX-UHFFFAOYSA-N 296.823 3.646 0 40 CHAB CN(C)Cc1cc(C(F)(F)F)ccc1Br 90411269 JSEUXQGFCPBRIF-UHFFFAOYSA-N 282.103 3.530 0 40 CHAB CCOc1cccc([C@H]2C[C@H](O)c3ccccc3N2)c1 242548462 LMEXYBBRSGEAGV-SJORKVTESA-N 269.344 3.676 0 40 CHAB CCCCNCc1ccc(OCCC)c(OCC)c1 20933207 DWLKHXABRPOSDH-UHFFFAOYSA-N 265.397 3.764 0 40 CHAB CCOc1ccccc1CCCNC(=O)c1cccc(C)c1 13667629 OAWHKCJHQJXSTG-UHFFFAOYSA-N 297.398 3.756 0 40 CHAB CCCOc1ccccc1/C=C1/SC(=S)N=C1O 2671130 HTDGWMXFWGJXTI-DHZHZOJOSA-N 279.386 3.805 0 40 CHAB CC(C)(C)SC[C@H]1CCCCN1C(=O)c1ccoc1 390829610 FJEAKXYYJGNWKI-CYBMUJFWSA-N 281.421 3.806 0 40 CHAB C[C@@H]1CCC[C@@]2(C1)NCCc1c2[nH]c2ccccc12 32666100 LPEYZMKDCFQJKR-PXAZEXFGSA-N 254.377 3.719 0 40 CHAB Cc1ccc(Cn2cnc3cc(F)c(F)cc32)cc1 24425365 MSIATEREKALXNR-UHFFFAOYSA-N 258.271 3.671 0 40 CHAB Cc1cc2cc(CNC(=O)c3ccccc3F)ccc2n1C 4061502 NJCYBPYBOAPCKV-UHFFFAOYSA-N 296.345 3.556 0 40 CHAB O=C(Cc1cccs1)c1ccc(Br)s1 37981863 XRWDESYLKQEOIA-UHFFFAOYSA-N 287.203 3.998 0 40 CHAB O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccccc1 5388421 QNAWKLMBUPNKIX-UHFFFAOYSA-N 296.757 3.612 0 40 CHAB O=C(O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100318103 HUDYINFVSMWUNU-DIOPXHOYSA-N 270.372 3.999 0 40 CHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccco1 20025431 VQKOSRSCPHWGOD-UHFFFAOYSA-N 273.185 3.690 0 40 CHAB CC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2C)cc1 30057 IJVKHIITCLSYAC-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB CC(=O)Nc1cc(NC(=O)CC2CCCCC2)ccc1F 40490031 ZZUGHNRMRZUMOI-UHFFFAOYSA-N 292.354 3.693 0 40 CHAB C[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)cc1 297355 OHAGWRQRFCFWTA-ZDUSSCGKSA-N 259.393 3.999 0 40 CHAB COC(=O)c1ccccc1N1Cc2cc(C)c(C)cc2C1 559663 BZVXLCWEMRGXJK-UHFFFAOYSA-N 281.355 3.610 0 40 CHAB CC[C@H](C)OC(=O)Nc1cccc(OC(=O)NC(C)C)c1 2033692 ZAUINTVZQQDXEH-NSHDSACASA-N 294.351 3.530 0 40 CHAB CCN(C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1cc(C)ccc1C 102396694 BRNQQJJIRLGMBT-HRCADAONSA-N 269.388 3.869 0 40 CHAB CCSc1nnc(NC(=O)c2cc(C)ccc2C)s1 6232376 KUKAUVUGLRMHGH-UHFFFAOYSA-N 293.417 3.519 0 40 CHAB CCCCCNC(=O)CSCc1cc(C)cc(C)c1 6597184 JWJMLSKOLILXHX-UHFFFAOYSA-N 279.449 3.843 0 40 CHAB Cc1cc(C)cc(NC(=O)c2noc3c2C[C@H](C)CC3)c1 7000202 UKSXCPVSGNZZDB-SNVBAGLBSA-N 284.359 3.669 0 40 CHAB O=C(Cc1ccsc1)Nc1nc2ccccc2s1 7767963 KJWNOCYWKFMYKL-UHFFFAOYSA-N 274.370 3.539 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 8303212 SPZRDSCHURSRLJ-CYBMUJFWSA-N 271.335 3.554 0 40 CHAB Cc1cccc2[nH]c3c(N4CCC[C@H](C)C4)ncnc3c12 534747 BJOIXVYXCGJAJL-NSHDSACASA-N 280.375 3.656 0 40 CHAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 9816729 ZYEVTIJHLYYFOQ-AWEZNQCLSA-N 299.370 3.800 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2c(C)cccc2C)cc1 1426051 GMRVHQUTVDSKRC-UHFFFAOYSA-N 267.328 3.758 0 40 CHAB O=C(CCC1CCCCC1)NCCc1cccs1 43945805 FOKGDKGDSGEZKE-UHFFFAOYSA-N 265.422 3.767 0 40 CHAB CS/C(=C\[N+](=O)[O-])Nc1ccc(C(C)(C)C)cc1 100381859 MYQFHKXUKVNXJL-XFXZXTDPSA-N 266.366 3.835 0 40 CHAB CSc1nc(-c2ccc(F)cc2)c(CO)c(C(C)C)n1 22059541 SCPDKLGGJBBVLF-UHFFFAOYSA-N 292.379 3.620 0 40 CHAB in-vitro CC(=O)OC[C@@]12COC(=C(C)C)[C@H](C(C)=C[C@H]1C)[C@@H]2C 100549654 XPUXDIZNNJHBTE-IARIHHJXSA-N 278.392 3.708 0 40 CHAB O=C(NCC1(c2ccccc2)CCC1)c1ccccc1 10221304 PBLWKWIVWOGAHM-UHFFFAOYSA-N 265.356 3.538 0 40 CHAB CCN(CC)C(=O)C[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1 2149933 HEUJCGMLLZGMIQ-GJZGRUSLSA-N 283.456 3.722 0 40 CHAB biogenic Cc1c/c(=N/c2cccc(Cl)c2)n2ccsc2n1 10386615 LHEAWWIDLXRKCR-VBKFSLOCSA-N 275.764 3.590 0 40 CHAB Cc1cc(C(=O)c2cc(Cl)ccc2Cl)ccn1 45038603 MCJHJGCHQSPWJI-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CC(C)c1ccc2cc(C(=O)NCc3ccco3)[nH]c2c1 45262968 FCPXVLNGWWFPSP-UHFFFAOYSA-N 282.343 3.814 0 40 CHAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 2512595 BXHHVFCWPMRSIU-UHFFFAOYSA-N 296.370 3.541 0 40 CHAB COc1ccc(-c2cc(N)ccc2OC(F)F)cc1 3399125 DPVCADZHWVBPPN-UHFFFAOYSA-N 265.259 3.546 0 40 CHAB O=C(CCCc1c[nH]c2ccccc12)NC1CCCCC1 3344009 UBLOPJKKYBQAES-UHFFFAOYSA-N 284.403 3.940 0 40 CHAB O=C(O)c1ccc(-c2ccc(Br)s2)s1 38002010 NZFOLHUYXSTVHQ-UHFFFAOYSA-N 289.175 3.937 0 40 CHAB CC(C)c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cc1 13939855 DBNQLMXZOXDMCX-UHFFFAOYSA-N 283.437 3.618 0 40 CHAB Cc1ccsc1CN(C)C(=O)NCc1ccccc1F 14683450 KLRAZRQAZGWKBB-UHFFFAOYSA-N 292.379 3.537 0 40 CHAB CC(=O)c1c(C)[nH]c(-c2csc(NC(C)C)n2)c1C 8708863 MXKYJKABTBRTQT-UHFFFAOYSA-N 277.393 3.778 0 40 CHAB Cc1ccc2cc3c(nc2c1)N(C(=O)c1ccccc1)CC3 15841912 PGIOPTIJDWVXPJ-UHFFFAOYSA-N 288.350 3.746 0 40 CHAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c(O)c1 9337076 JMXYSSKNGBFKKP-OLZOCXBDSA-N 285.318 3.582 0 40 CHAB COc1cc(CNc2cc(Cl)ccc2C)ccc1O 19875259 QAQLWVFHHYELNC-UHFFFAOYSA-N 277.751 3.975 0 40 CHAB COc1ccc2nc(S[C@@H](C)C(F)(F)F)[nH]c2c1 79098637 MFLZUBKNCGEBCZ-LURJTMIESA-N 276.283 3.614 0 40 CHAB Cn1cc(CN[C@H](c2ccccc2F)C2CCCC2)cn1 88765585 PVZQVPDTCHWAFH-KRWDZBQOSA-N 287.382 3.580 0 40 CHAB CCOC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 20169041 LPGGZBLPLRDAGI-UHFFFAOYSA-N 268.671 3.916 0 40 CHAB Cc1nc(CNC(=O)c2ccc3ccccc3c2)cs1 42118163 UPKQMTMODNDDAC-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB CNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)n1 72219097 DUWMUFVIIXPPGU-ZDUSSCGKSA-N 291.395 3.504 0 40 CHAB Cc1cccc(NC(=S)NCc2cccc(F)c2)c1 46415891 WSUMRNSCVXSLKC-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB CCc1ccc2oc(-c3ccc(OCC(=O)O)cc3)nc2c1 226295369 NOHLZFUEGFQDJD-UHFFFAOYSA-N 297.310 3.521 0 40 CHAB Cc1cc(C)c(C(=O)NCc2ccccc2C)cc1C 225640276 IDBXVDXDNYXZJB-UHFFFAOYSA-N 267.372 3.850 0 40 CHAB CC(C)C(NC(=O)CCc1ccc(F)cc1)C(C)C 223826307 ASZKPILNLGOEEE-UHFFFAOYSA-N 265.372 3.555 0 40 CHAB CCOc1cccc(NC(=O)Cc2ccccc2Cl)c1 48736840 JQJWRBWDQIDDEI-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB Cc1cc(OCC(=O)NCC2=CCCCC2)ccc1Cl 224261179 ZPCCIDSOFXNWEW-UHFFFAOYSA-N 293.794 3.644 0 40 CHAB CCCN1C(=O)C(C)=C(C)[C@H]1N[C@H]1CCCc2ccccc21 95483071 QFLGGFHQRAPBEC-ROUUACIJSA-N 298.430 3.568 0 40 CHAB CCc1cccc(C(=O)C(F)(F)C(F)(F)F)c1 95730890 XDEDFNRFXVNTQR-UHFFFAOYSA-N 252.182 3.629 0 40 CHAB O=C(CC1CCCC1)NCc1ccc(-c2ccoc2)nc1 390831760 URHHPXURCOCHOU-UHFFFAOYSA-N 284.359 3.538 0 40 CHAB COCCOc1ccc(Nc2nc3ccccc3o2)cc1 52036909 OKDKXYITPCLFGY-UHFFFAOYSA-N 284.315 3.597 0 40 CHAB O[C@H](CNCc1c(Cl)cccc1Cl)c1ccccc1 16477360 QNNLFCLLLIGVJI-OAHLLOKOSA-N 296.197 3.817 0 40 CHAB CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3CC[C@@H]2C1 5158796 UBKGPRKTCCVVBP-APWZRJJASA-N 285.431 3.884 0 40 CHAB COCc1c(C(=O)NCc2ccccc2)oc2ccccc12 5557742 SYEYIVPNNFJIGT-UHFFFAOYSA-N 295.338 3.509 0 40 CHAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2cccs2)c1 14602946 IXUFNJHFDIGVII-CYBMUJFWSA-N 289.400 3.621 0 40 CHAB CC(C)(C)OC(=O)n1cc(CCO)c2c(Cl)cccc21 14984937 WOQKARMSWGGZGY-UHFFFAOYSA-N 295.766 3.613 0 40 CHAB COc1cccc2cc(C(=O)NC(C(C)C)C(C)C)oc12 19887848 BCCFJGOYWBAAGV-UHFFFAOYSA-N 289.375 3.852 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1Cl 8936980 OVAKIUASEIQGMM-HTRCEHHLSA-N 288.572 3.697 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)NC1CCCCC1 43467039 FNXYMEBNCMMQSB-ZDUSSCGKSA-N 260.381 3.688 0 40 CHAB Cc1ccc(C(=O)Nc2csc3ncccc23)cc1 9482655 WFHWRRPSTVRRFK-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB O=C(NCc1ccc(-c2ccco2)o1)c1cccs1 575608038 ICAJSBCFSOWLLQ-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB CCCCOC(=O)CCC(=O)c1ccc(Cl)cc1 39044229 MCNSDGZOUTWVIJ-UHFFFAOYSA-N 268.740 3.646 0 40 CHAB O=C(O)C1(c2c(Cl)cccc2Cl)CCCC1 20429418 UBLZDOXMNDTCMQ-UHFFFAOYSA-N 259.132 3.890 0 40 CHAB Cc1cc(NC(=O)Nc2ccc3c(c2)OCO3)ccc1F 51354474 UIJSNZRUIPTKBC-UHFFFAOYSA-N 288.278 3.507 0 40 CHAB O=C(O)c1cccc(Nc2ncc(-c3ccccc3)cn2)c1 1857794419 BIAPOHFPPDBPOE-UHFFFAOYSA-N 291.310 3.585 0 40 CHAB CS[C@@H]1NC=Nc2c1sc(=S)n2-c1ccccc1 1632216 SBHBUSYDLGLOOS-NSHDSACASA-N 293.442 3.893 0 40 CHAB CC(=O)OC1=C(C)C2=C3OC(=O)C(C)=C3CC[C@]2(C)CC1 1674960 UVZIWNWWHZPYGX-QGZVFWFLSA-N 288.343 3.545 0 40 CHAB CC(C)OC(=O)c1ccccc1Nc1ccccc1 6025959 SOAOOSYWLXKFJQ-UHFFFAOYSA-N 255.317 3.995 0 40 CHAB CC(C)[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 7804102 HXUAYIBMNPADHN-HNNXBMFYSA-N 281.399 3.979 0 40 CHAB CCc1ccc2c(CC(=O)NC(C)(C)CC)coc2c1 32963814 YBCSDHVERMOMBR-UHFFFAOYSA-N 273.376 3.843 0 40 CHAB Cc1ccc(C(=O)N(C)c2ccc(N3CCCC3)cc2)cc1 10113705 NJIIQULMWFUTRB-UHFFFAOYSA-N 294.398 3.872 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1C 8480931 ADWWAKYBCUOBKD-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(Cl)s1 33191578 WZDUFKVXTUINSU-IYNCYZAOSA-N 281.764 3.885 0 40 CHAB CCc1nc2ccccc2n1Cc1ccccc1OC 550192 NNTTVNGXVPOWDS-UHFFFAOYSA-N 266.344 3.656 0 40 CHAB c1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1 526408 JZRXGNHYSSXDDV-UHFFFAOYSA-N 298.415 3.684 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ncccc1Cl 998888 NAXZWQJICBNNGI-CYBMUJFWSA-N 290.750 3.531 0 40 CHAB Cc1cc(C)c(NC(=O)CC(C)(C)CC(=O)O)c(Cl)c1 24993022 JTYJWTKFOXGWOX-UHFFFAOYSA-N 297.782 3.786 0 40 CHAB CSc1ncccc1C(=O)Nc1cnc2ccccc2c1 25066016 VIABFUXBRCBOJK-UHFFFAOYSA-N 295.367 3.604 0 40 CHAB CC1(OC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C2CC3CC(C2)CC1C3 100078225 OJGSGTWNQWAFBE-VQKPIXHNSA-N 286.415 3.957 0 40 CHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)sc1C 12546123 KJOSARIKMKVKEL-CQSZACIVSA-N 286.400 3.737 0 40 CHAB Cc1c(C(=O)N[C@@H](C)c2ccccn2)oc2ccc(F)cc12 9861866 YTUQTKAOURTIIM-NSHDSACASA-N 298.317 3.766 0 40 CHAB O=C(Oc1ccc(F)cc1Cl)c1cccs1 3265282 CIOQXMFNSQEKTI-UHFFFAOYSA-N 256.685 3.760 0 40 CHAB Cc1ccc([C@H](C)N(C)C(=O)Nc2cccnc2)s1 44972837 KHPGVCSHXPAHRY-NSHDSACASA-N 275.377 3.676 0 40 CHAB Cc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11128788 YTBCENMRBACPID-KRWDZBQOSA-N 298.361 3.566 0 40 CHAB CN(C(=O)c1ccc2c(c1)CCC2)[C@H]1CCc2ccccc21 12764198 GFWNQMWUDZLWEE-IBGZPJMESA-N 291.394 3.935 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc(CN2CCCCC2)c1 48314212 FULGSUWOZWHCCX-INIZCTEOSA-N 298.430 3.967 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)CCc1ccccc1F 24193412 RGYZCHNJTLXHKW-AWEZNQCLSA-N 285.362 3.944 0 40 CHAB Cc1ccc(F)c(NC(=O)c2cncn2-c2ccccc2)c1 6583427 UUHZLHMUKVBAQI-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB CCN(CC)C/C=C/C1(O)c2ccccc2-c2ccccc21 4823263 BTORNECOABSWPU-NTEUORMPSA-N 293.410 3.801 0 40 CHAB COc1ccc(NC(=O)/C=C/c2ccccc2C)c(OC)c1 9112106 SWPWDUDHVHQZJY-DHZHZOJOSA-N 297.354 3.664 0 40 CHAB C/C=C/CSCc1nnc(-c2cccc(F)c2)o1 95403756 LNIBVIHVYCVPES-NSCUHMNNSA-N 264.325 3.685 0 40 CHAB CC[C@H](C)n1cc(Br)c(CO[C@H](C)CC)n1 408716357 LWQWLHDNWNDDTB-VHSXEESVSA-N 289.217 3.932 0 40 CHAB Fc1ccc(-c2cn3ccc(Br)cc3n2)cc1 39325764 KQXPMIPYQIGWKP-UHFFFAOYSA-N 291.123 3.903 0 40 CHAB O=C(O)c1cc(C(F)(F)F)cc(Cl)c1Cl 38276864 BPKBRTRFMGIQGL-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB COc1ccc(OC)c([C@@H]2CCCCN2C(C)C)c1 72221886 VNCWQGHNWUQNJB-HNNXBMFYSA-N 263.381 3.639 0 40 CHAB C[C@@H](c1ccco1)N(C)Cc1cccn1-c1ccncc1 72397957 SWEZNQJICSXDKR-AWEZNQCLSA-N 281.359 3.658 0 40 CHAB Cc1ccc(C)c(-n2cccc2CNCC(C)C)c1 223681574 DVWRIEHBQPAJHA-UHFFFAOYSA-N 256.393 3.840 0 40 CHAB O=C(NCc1csc(C2CCC2)n1)NC1CCCCC1 227154217 UBXVGDFAVSSNGK-UHFFFAOYSA-N 293.436 3.543 0 40 CHAB NCCCc1nc2cc(Cl)ccc2n1Cc1ccccc1 40417911 MAGKAIOCYCIHTO-UHFFFAOYSA-N 299.805 3.629 0 40 CHAB CC(C)COc1cccc([C@@H](C)NC[C@@H]2CCCO2)c1 225167644 BDFLIQKTEPIHFU-PBHICJAKSA-N 277.408 3.551 0 40 CHAB O=[S@@](CC[C@H]1CCCCO1)Cc1ccccc1Cl 225621566 GHJIAMZEDRPQBR-ACJLOTCBSA-N 286.824 3.548 0 40 CHAB CCCN(c1ccc(Cl)cc1C)[C@@H](CC)C(=O)O 224992212 YPHFIFVFEGBYTN-LBPRGKRZSA-N 269.772 3.728 0 40 CHAB CCC1(NC(=S)Nc2ccc(OC)cc2)CCCC1 225847370 KAVOUJZHWYMPHW-UHFFFAOYSA-N 278.421 3.704 0 40 CHAB O=Cc1ccccc1-c1nc2ccc(F)cc2s1 45923230 KPYXBPSUALSQDV-UHFFFAOYSA-N 257.289 3.915 0 40 CHAB Cc1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1 225320044 QBWSOONDISHYIE-NFAWXSAZSA-N 274.433 3.778 0 40 CHAB O=[S@@](c1ccccc1-c1ccccc1)C(F)(F)F 40844999 CLDLXLKMMYJIEK-GOSISDBHSA-N 270.275 3.981 0 40 CHAB O=C(Nc1c(F)cccc1F)N1CCC(=C2CC2)CC1 238866042 LUMWCASLHSQNIB-UHFFFAOYSA-N 278.302 3.683 0 40 CHAB CC(C)Cc1nc2nccc(-c3cc4ccccc4o3)n2n1 95476750 CWEHFMCLPBUFEM-UHFFFAOYSA-N 292.342 3.736 0 40 CHAB CCCCc1ccc(C(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 95633990 ZWPYUXPBROFABV-JKSUJKDBSA-N 286.371 3.879 0 40 CHAB Cc1ccc(-c2n[nH]c([C@H](C)c3ccccc3)n2)cc1 642882592 QGKLKAFUNRMIRA-CYBMUJFWSA-N 263.344 3.932 0 40 CHAB O=C(c1cccc(Cl)c1)c1cc(F)c(F)cc1F 95916617 DNHZCTDLUJNCNY-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB O=C(CCc1ccccc1)N1CC[C@H](c2cccs2)C1 827907155 LBKLSFYBJRZZSF-HNNXBMFYSA-N 285.412 3.697 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1 587158 JHGCZMFISCKQLH-FMIVXFBMSA-N 251.329 3.955 0 40 CHAB Cc1ccc(OCC(=O)NCCC2=CCCCC2)cc1C 13992396 LULJRDRKZMVFIL-UHFFFAOYSA-N 287.403 3.689 0 40 CHAB S=C(Nc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 16212632 ZNJGUXPWGCZBSS-OPQQBVKSSA-N 280.824 3.815 0 40 CHAB CN(C)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 16596720 FVTOTGWEOGQCBY-UHFFFAOYSA-N 288.778 3.587 0 40 CHAB CC1(C)c2ccccc2Nc2c(C(=O)O)cccc21 16605553 JSNJHCVAVNHEGW-UHFFFAOYSA-N 253.301 3.768 0 40 CHAB Cc1cc(C(=O)C(C)(C)C)ccc1Br 168160274 IMIHYNLNFAWUEV-UHFFFAOYSA-N 255.155 3.986 0 40 CHAB COc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1 14199594 DLDFPWOJOFPNCB-OAHLLOKOSA-N 289.400 3.884 0 40 CHAB CCCCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 20493654 CXCLZYONYIBBHA-AWEZNQCLSA-N 277.408 3.884 0 40 CHAB COC(=O)c1cc(CCC=C(C)C)nc2ccccc12 62591 MRJFZJVKPXSVIU-UHFFFAOYSA-N 269.344 3.920 0 40 CHAB C[C@@]12C[C@@H](NC(=O)N1c1cccc(F)c1)c1ccccc1O2 427395 BQOHJBOIUGENCN-RHSMWYFYSA-N 298.317 3.595 0 40 CHAB CCSc1nnc2ccc(-c3ccc(Cl)cc3)nn12 5167403 ICSXJLJETJUIBO-UHFFFAOYSA-N 290.779 3.557 0 40 CHAB Cc1ccc2oc(C(=O)Nc3ccc(C)c(F)c3)cc2n1 8793883 MCNZAOWXQDTWFV-UHFFFAOYSA-N 284.290 3.836 0 40 CHAB Cc1cccc(CC(=O)NCC2(c3ccc(F)cc3)CC2)c1 11899784 LTNGUEGPPAAMQK-UHFFFAOYSA-N 297.373 3.525 0 40 CHAB Cc1noc(C)c1CSc1nncc2ccccc12 40459014 WEQHNTRUOHTKMF-UHFFFAOYSA-N 271.345 3.527 0 40 CHAB CN(Cc1ccsc1)C(=O)c1ccc(Cl)s1 40464697 RTHOESISIZMZCN-UHFFFAOYSA-N 271.794 3.735 0 40 CHAB Cc1ccc2oc(C(F)(F)C(F)(F)F)cc(=O)c2c1 112326 RGJLFPQHEDTNLM-UHFFFAOYSA-N 278.176 3.756 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 1016215 HLLMKAGHNZRMKS-HLPPOEQASA-N 289.444 3.780 0 40 CHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccn1 3552078 HYXIBGTTZJDXOQ-UHFFFAOYSA-N 284.359 3.640 0 40 CHAB CCCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1 4129234 FRRYRUHSXXGYLK-UHFFFAOYSA-N 295.342 3.978 0 40 CHAB O=C1CC2(CCCCCC2)C(=O)N1c1ccccc1Cl 32855770 TXVHIWWZTBQNQH-UHFFFAOYSA-N 291.778 3.944 0 40 CHAB CC(C)CN(CC(C)C)C(=O)c1ccc(F)cc1 2742206 JRFJJVWXJKYQNZ-UHFFFAOYSA-N 251.345 3.580 0 40 CHAB Cc1cc(-n2c(C)c3c(C)nnc(C)c3c2C)ccc1N 536277 KPNYFNONTDYBPQ-UHFFFAOYSA-N 280.375 3.545 0 40 CHAB Fc1ccc(-c2nc(Cl)n(-c3ccccc3)n2)cc1 22125175 VQHZOZQGQXDHFL-UHFFFAOYSA-N 273.698 3.727 0 40 CHAB Cc1ccc(C(=O)N2CC[C@@H](C)c3ccccc32)c(C)n1 55341833 IOPYCWRJHCPFFT-GFCCVEGCSA-N 280.371 3.852 0 40 CHAB CCc1cccc(CC)c1NC(=O)c1c(C)noc1CC 3336822 KMIVTZHJWSDKOU-UHFFFAOYSA-N 286.375 3.923 0 40 CHAB C[C@H]1c2cccn2CCN1Cc1cc(-c2cccs2)on1 12780883 DHMWYVVTBSTGPV-LBPRGKRZSA-N 299.399 3.781 0 40 CHAB C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)c1ccccc1 48363878 MZDFSNMEIVZQCJ-AWEZNQCLSA-N 295.382 3.966 0 40 CHAB CCc1cccc(NC(=O)CN(CC)Cc2ccccc2)c1 12882068 GGIVAEGKIMSXPD-UHFFFAOYSA-N 296.414 3.710 0 40 CHAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccoc1 17591188 SNCYLEQORUKPPQ-UHFFFAOYSA-N 270.313 3.655 0 40 CHAB CCC[C@H](NC(=O)Nc1cc(C)on1)c1ccccc1 14085240 WJCGNUVJAUORDP-ZDUSSCGKSA-N 273.336 3.646 0 40 CHAB CCCCc1ccc(C(=O)Nc2ccc(O)cc2)cc1 4506656 ARFWGIOCBNJMET-UHFFFAOYSA-N 269.344 3.987 0 40 CHAB CCc1ccccc1NCC(=O)Nc1cccc(C)c1 5637832 UANORBOEQRBMLK-UHFFFAOYSA-N 268.360 3.608 0 40 CHAB Cc1cc(C)c2nc(NC(=O)CC(C)C)sc2c1 4815463 FEPDQIWNUMONTL-UHFFFAOYSA-N 262.378 3.898 0 40 CHAB C(=C/c1cccs1)\c1ccnc(N2CCCCC2)n1 67320889 DCDDVAANQCJJNL-VOTSOKGWSA-N 271.389 3.699 0 40 CHAB CCn1cc(/C=C\c2cc[n+](C)cc2)c2cc(C)ccc21 8997638 XBBOTWVHRLBRTD-UHFFFAOYSA-N 277.391 3.965 0 40 CHAB CCC1CCC(NC[C@H]2OCCc3ccccc32)CC1 71090834 WJLBVVPLWMUKFW-JFUPDXTOSA-N 273.420 3.859 0 40 CHAB CC1(C)[C@H](NCCc2ccccn2)C[C@@H]1c1ccccc1 96009131 FTXAAYUKEPUHMN-QZTJIDSGSA-N 280.415 3.796 0 40 CHAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1SCCC 9762152 FXOVIZHYYOJNNU-HNNXBMFYSA-N 267.438 3.969 0 40 CHAB Cc1ccc(OCCS[C@H](C)c2nc(C)no2)cc1 73920497 MCDASXZXMPVFET-LLVKDONJSA-N 278.377 3.560 0 40 CHAB CCCSc1nnc(C)n1-c1ccc(CC)cc1 409097404 NNFYBIQKFYDQIJ-UHFFFAOYSA-N 261.394 3.640 0 40 CHAB Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)c(N)c1 61665847 YPXGRVUZWKUJBX-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O 1676588 PVWWOFBIYKSBEX-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB biogenic CCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C)nc21 36617237 RUYWIQWSOKXXKC-UHFFFAOYSA-N 299.346 3.500 0 40 CHAB CC(C)CN1CCC[C@@H]1c1cccnc1NC1CCC1 72213901 XRXHOJVCUNHNRM-MRXNPFEDSA-N 273.424 3.839 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](O)c1ccccc1 72208698 RQSNYTYIUVNWHZ-LSDHHAIUSA-N 291.391 3.510 0 40 CHAB CCN1CCCC[C@@H]1c1ccc(N2CCCC2)nc1C 72218936 BOCUKFDXSLRECS-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB COc1cccc2cc(C(=O)NCc3ccccc3C)oc12 73742541 RHCUWEPWAISEBP-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB Cc1ccnc(C(=O)c2ccc(Cl)c(Cl)c2)c1 45028637 GSZGIXKYFQPQEE-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CCCN1CCCC[C@H]1c1ccc(NC2CC2)nc1 72213797 IIJCTIFSMHHDPY-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB O=C(O)[C@H](Cc1ccccc1F)Oc1cccc(Cl)c1 225050723 WGLXBWHIBDCECN-AWEZNQCLSA-N 294.709 3.554 0 40 CHAB Cc1ccc(F)cc1NC(=O)N[C@@H]1CCCC[C@H]1C 40023831 LQXDDDMUTZMUJX-ZWNOBZJWSA-N 264.344 3.834 0 40 CHAB Cc1cccc(O[C@H](Cc2cccc(Cl)c2)C(=O)O)c1 225058153 AZSGXPNJWSONTR-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB CCN(C(=O)c1c(F)cccc1F)c1ccccc1 98071652 FILXVMQZVHRPTF-UHFFFAOYSA-N 261.271 3.632 0 40 CHAB CC(C)c1ncc(CO)n1Cc1c(Cl)cccc1Cl 13283667 BDVZDTTUVSWMLX-UHFFFAOYSA-N 299.201 3.854 0 40 CHAB CCc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 15389210 GFPOFYMSPPISDS-LBPRGKRZSA-N 271.335 3.879 0 40 CHAB O=C(O)c1cccc(NC(=O)c2cccc3ccccc23)c1 4201480 OBXJCOQIVVOXJW-UHFFFAOYSA-N 291.306 3.790 0 40 CHAB Cc1ccc2c(CC(=O)NCc3cccs3)coc2c1 3557835 BXSGUKHJPPZCBJ-UHFFFAOYSA-N 285.368 3.662 0 40 CHAB O=C(NCc1cc(-c2ccco2)cs1)[C@@H]1CC=CCC1 1775968542 QELVICVJEMAOTR-GFCCVEGCSA-N 287.384 3.981 0 40 CHAB O=C(c1ccoc1)N1CCS[C@H](c2ccccc2)CC1 208041869 QGVDDFSZUPSOAH-HNNXBMFYSA-N 287.384 3.600 0 40 CHAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccs1 40159554 JSPFQSDDCUARJD-UHFFFAOYSA-N 283.755 3.813 0 40 CHAB CCOc1ccccc1C(=O)Nc1nc2ccccc2s1 76455 PDWKVJUSYNWYDB-UHFFFAOYSA-N 298.367 3.947 0 40 CHAB c1ccc(-c2nnc(N3CCCC3)c3ccccc23)cc1 87222 CZQGMCJAIHSYEW-UHFFFAOYSA-N 275.355 3.897 0 40 CHAB COc1c(C)cc(-c2ccc(F)c(C=O)c2)cc1C 40449498 ZGOUMDQXYFQMLF-UHFFFAOYSA-N 258.292 3.931 0 40 CHAB CCC(=O)N(Cc1cccs1)Cc1ccccc1OC 60389162 HLOLMEBBBHBFSH-UHFFFAOYSA-N 289.400 3.696 0 40 CHAB CCN(CC)C[C@H](O)c1ccc(C2CCCC2)cc1 347576 OTUPOONJCYPSTC-KRWDZBQOSA-N 261.409 3.719 0 40 CHAB COc1ccc([C@H](Cc2ccccc2)NC(C)C)cc1 1667017 ZHGBQLQLVBPUJF-SFHVURJKSA-N 269.388 3.977 0 40 CHAB Cc1ccccc1N1C(=O)S[C@H](Nc2ccccc2)C1=O 2706925 JXBGOWBDRGWOJP-AWEZNQCLSA-N 298.367 3.633 0 40 CHAB Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 69873980 DXORNEOQPBBWCL-HZPDHXFCSA-N 269.388 3.667 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1ccccc1 32889962 UILYCDYZUAKQRI-JKSUJKDBSA-N 255.361 3.706 0 40 CHAB COc1ccc(C)cc1NC(=O)Cn1ccc2ccccc21 6546131 SBKMIODCHIKGJB-UHFFFAOYSA-N 294.354 3.597 0 40 CHAB CC[C@@H]1CCCCN1C(=S)Nc1ccccc1F 7557953 VTRJLBXLTBCAJS-LLVKDONJSA-N 266.385 3.787 0 40 CHAB CC(=O)c1ccc(NC(=O)NC2CCCCCC2)cc1 32907266 MJLDTKXTXQXCRK-UHFFFAOYSA-N 274.364 3.734 0 40 CHAB Clc1ncccc1-c1cccc(Br)n1 12359361 WFYCCIYVIHUIKA-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB S=C(NC1CCCCC1)c1ccc(Cl)cc1 9188054 XZKIKLZULFLGHV-UHFFFAOYSA-N 253.798 3.938 0 40 CHAB CCCn1ccc(C(=O)Nc2c(Cl)cccc2Cl)n1 28245315 XGUDJVTXKTTZIP-UHFFFAOYSA-N 298.173 3.852 0 40 CHAB Cc1nc2ccc(NC(=O)c3ccoc3C)cc2s1 9884915 OGUORWJBTWXRCP-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB Cc1cc(OCC[C@H]2CCCCN2)ccc1Br 42770613 WYWKTLXEKLMNLA-GFCCVEGCSA-N 298.224 3.669 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ccccc1 3217762 DTDLLIWDDAEFBA-ZDUSSCGKSA-N 283.396 3.757 0 40 CHAB CC(C)c1cc(NC(=O)CCc2c[nH]c3ccccc23)[nH]n1 58161898 BLTOKZJSUPTACV-UHFFFAOYSA-N 296.374 3.586 0 40 CHAB CC(C)Oc1ccc(CNC[C@@H]2CCOC(C)(C)C2)cc1 2111109 PHZSWIQAUOSQOI-MRXNPFEDSA-N 291.435 3.769 0 40 CHAB biogenic Cn1ccnc1CSc1nc(-c2ccccc2)cs1 48872712 KXUGWSKSZOGQMT-UHFFFAOYSA-N 287.413 3.836 0 40 CHAB CCN(Cc1ccccc1)Cc1nnc(-c2ccccc2)o1 5031857 MUVNPUYKXVGVMP-UHFFFAOYSA-N 293.370 3.759 0 40 CHAB CC(C)CN(CC(C)C)C(=O)COc1ccc(Cl)cc1 5384235 BXFZWHAWABOPNL-UHFFFAOYSA-N 297.826 3.859 0 40 CHAB O=C(/C=C/c1ccco1)N1CC=C(c2ccccc2)CC1 5965708 NVNISVWKJFUJCB-CMDGGOBGSA-N 279.339 3.609 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1cccc(Cl)c1C 7477063 JECKBCUIFOIHND-UHFFFAOYSA-N 292.766 3.825 0 40 CHAB CCc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885950 OPFABBJUUPJJTB-SFHVURJKSA-N 292.382 3.978 0 40 CHAB Cc1cc(COc2ccc(C(=O)c3ccccc3)cc2)no1 8006851 UMPKUJCKQFQOIH-UHFFFAOYSA-N 293.322 3.793 0 40 CHAB Cc1occc1C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 16990603 VSTNGXCYHCGKLZ-ZIAGYGMSSA-N 263.381 3.923 0 40 CHAB Fc1cccc(OC(F)F)c1CNCC1CCCC1 95455360 GZVUHMHXFCPQRP-UHFFFAOYSA-N 273.298 3.707 0 40 CHAB CN(C(=O)N[C@H](c1cc(F)ccc1F)C1CC1)C1CCC1 74893386 YOSNGDXJSNLHEL-HNNXBMFYSA-N 294.345 3.610 0 40 CHAB COc1ccc2[nH]cc(C(=O)C3CCCCC3)c2c1 37364283 MGSYRFBHVNQSQL-UHFFFAOYSA-N 257.333 3.940 0 40 CHAB Nc1nc(Cl)cc(Nc2cc(Cl)ccc2Cl)n1 156660874 WPFAOIUXKHTODE-UHFFFAOYSA-N 289.553 3.763 0 40 CHAB COc1cccc(-c2nc3cc(C)ccc3o2)c1OC 216869528 HZGLJMKZCRMBGG-UHFFFAOYSA-N 269.300 3.820 0 40 CHAB Clc1cc(Cl)c2ccccc2c1O[C@@H]1CCNC1 42774518 FXIDKJYZEJWDCH-SECBINFHSA-N 282.170 3.887 0 40 CHAB COc1cccc(C(=O)c2cccc(Cl)c2Cl)n1 45028759 UERKLLNAEZPTOZ-UHFFFAOYSA-N 282.126 3.628 0 40 CHAB CC(C)CCNc1ncnc2sc3c(c12)CCC3 49754816 NKZHRZDOFZQONZ-UHFFFAOYSA-N 261.394 3.638 0 40 CHAB O=C(O)[C@H](Cc1cccc2ccccc12)Oc1ccccc1 225047580 AXRHJKBDSWBNJT-SFHVURJKSA-N 292.334 3.915 0 40 CHAB O=C(O)c1scc(Cl)c1OCCOc1ccccc1 96510957 UNUFHWYWMNCBAO-UHFFFAOYSA-N 298.747 3.558 0 40 CHAB COc1ccc2ncc(-c3ccccc3)c(O)c2c1 253536072 GVILLHOTSRETJB-UHFFFAOYSA-N 251.285 3.616 0 40 CHAB COC(=O)CN1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260619398 KVOPYFBPHUQQCW-CYBMUJFWSA-N 275.392 3.569 0 40 CHAB CSc1ccc(/C=C/C(=O)NCc2ccsc2)cc1 96120194 YSBUXZOANJXWNR-QPJJXVBHSA-N 289.425 3.800 0 40 CHAB Cc1cccc(CNCCSC(F)(F)C(F)(F)F)c1 95918321 RSFIKNWHMVLSRY-UHFFFAOYSA-N 299.308 3.973 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C)c(OC)c1 147231 YZUDDZGXZFVSJO-PKNBQFBNSA-N 297.354 3.664 0 40 CHAB Cc1ccc(NC(=O)COc2c(C)cccc2C)cc1 3156652 ZXYXUQNWDLDODQ-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB Cc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1Cl 152513 BGOCRYCLOXYZMN-UHFFFAOYSA-N 289.553 3.884 0 40 CHAB O[C@@H](c1ccc(Cl)c(Br)c1)C(F)(F)F 137216024 ONTXDZYLWLEIBL-ZETCQYMHSA-N 289.478 3.698 0 40 CHAB CCc1c(C)nc(SCc2ccc(Cl)cc2)[nH]c1=O 5021606 HBMVMJFZKHJVKU-UHFFFAOYSA-N 294.807 3.586 0 40 CHAB O=C(O)c1ccc(C(F)(F)F)c(Cl)c1Cl 96171665 SXZBNNYNKIHGMD-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB CCC[C@@H](C)NC(=O)Nc1ccc(F)c(Cl)c1 40023790 BFCHPTPWUBHWOH-MRVPVSSYSA-N 258.724 3.789 0 40 CHAB C[C@@H](O)c1cccc(NC(=O)c2ccccc2Cl)c1 383820 SENXUERSHZAXOQ-SNVBAGLBSA-N 275.735 3.646 0 40 CHAB CC(=O)O/C(=C(/OC(C)=O)c1ccccc1)c1ccccc1 1590065 OLYDJYCNBCBHOZ-ISLYRVAYSA-N 296.322 3.639 0 40 CHAB O=C1c2cc3ccccc3cc2C(=O)N1c1ccccc1 2526449 SAJVJIKFDFLINJ-UHFFFAOYSA-N 273.291 3.640 0 40 CHAB CCCCC(=O)N(C)c1nnc(-c2ccccc2C)s1 4982366 RJNMGUXXSHTMSY-UHFFFAOYSA-N 289.404 3.667 0 40 CHAB C[C@]12CC[C@@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 6780224 WMEBIWWUBWHAOJ-ZKDKXJPTSA-N 291.479 3.717 0 40 CHAB C[C@H]1CCc2nc(NC(=O)c3cccs3)sc2C1 567764 XDBFHAAZXDBGRW-QMMMGPOBSA-N 278.402 3.582 0 40 CHAB Cc1cccc(-c2noc(-c3cccnc3Cl)n2)c1 22120249 QPSRXDWTSUDTGQ-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB CC(=O)c1cs/c(=N\c2ccccc2)n1-c1ccccc1 102476397 LKZHJVZFZXXFLF-ZCXUNETKSA-N 294.379 3.974 0 40 CHAB CCOCCCCNC(=O)Nc1cccc(Cl)c1C 47326159 YDQVTKMVYWECSM-UHFFFAOYSA-N 284.787 3.587 0 40 CHAB N#C/C(=N\Nc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 108241831 RXTGEGGQLZVIDO-KGENOOAVSA-N 295.733 3.556 0 40 CHAB Cc1c(N)cccc1C(=O)Nc1ccc(F)c(Cl)c1 20194544 AUGGIERTFWZPBW-UHFFFAOYSA-N 278.714 3.622 0 40 CHAB O=C(c1ccco1)N(Cc1ccccc1F)c1ccccn1 27992300 AANIWQWDBYCHJV-UHFFFAOYSA-N 296.301 3.661 0 40 CHAB Cc1nnc(Nc2ccc3[nH]ncc3c2)c2ccccc12 12535830 ANCWSIMCXVUZFE-UHFFFAOYSA-N 275.315 3.558 0 40 CHAB CCC[C@H](C(=O)NCc1cccc(OC)c1)c1ccccc1 25422244 HYKHMQLTFKVCIV-SFHVURJKSA-N 297.398 3.895 0 40 CHAB Cc1ccc(-n2ncc3c(C(C)C)nnc(S)c32)cc1C 26421774 OQQVCBBDMDGQDA-UHFFFAOYSA-N 298.415 3.844 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C)c1 20486445 OUAZSTDJGFFHFO-GOSISDBHSA-N 297.398 3.777 0 40 CHAB Cc1nc(-c2ccccc2Br)sc1[C@@H](C)O 44594197 TZJVDAJYUOLTSK-MRVPVSSYSA-N 298.205 3.934 0 40 CHAB in-vitro Cc1ccc(CN(C)C(=O)c2ccc(-n3cccc3)cc2)o1 24625227 NSXRHEPCHFDYKD-UHFFFAOYSA-N 294.354 3.651 0 40 CHAB CSc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1 12621364 SGXPXSWYIUGGCI-UHFFFAOYSA-N 266.753 3.642 0 40 CHAB O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccccc1 27993946 XZWZQHVMYCQHHS-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccn1 28781071 JRYAWAXHRWDTCH-SNVBAGLBSA-N 294.276 3.591 0 40 CHAB CCC(CC)NC(=O)C1(c2ccccc2)CCCC1 2512736 YNDAMNPMXLBTQF-UHFFFAOYSA-N 259.393 3.803 0 40 CHAB COc1ccccc1CN(C)C(=O)c1ccccc1Cl 20493825 HTSSXGVNXJQLKY-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C 3581250 XVJNSWWMBSDKIJ-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB CO[C@H](C)c1cccc(NC(=O)[C@H](OC)c2ccccc2)c1 69811746 XMBYTGXQPMQETR-CXAGYDPISA-N 299.370 3.720 0 40 CHAB O[C@H](c1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 4025553 IFGUZODIMGJQLR-MRXNPFEDSA-N 284.746 3.607 0 40 CHAB C[C@]12CC[C@@H](N)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 4027500 WMEBIWWUBWHAOJ-QFIIDBSYSA-N 291.479 3.717 0 40 CHAB biogenic CC1(C)C[C@@H](O)C[C@]2(C1)C[C@]1(C)C[C@@H](O)[C@H]2C(C)(C)C1 4127738 OYKKAFUDCTVRPS-KAISUZLGSA-N 280.452 3.751 0 40 CHAB Clc1ccc(CNCc2ccccn2)c(Cl)c1 4244737 XJWMLKMKGYAQLM-UHFFFAOYSA-N 267.159 3.678 0 40 CHAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccs1 4812326 RDBMUYNBQNPPTM-WQLSENKSSA-N 289.743 3.746 0 40 CHAB Cc1nnc([C@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)o1 69774844 BJCNFLWICQBNJU-BONVTDFDSA-N 289.354 3.709 0 40 CHAB CSc1ccc([C@H](C)NCc2ccco2)cc1F 97016370 PZQHPNQEXKSLMY-JTQLQIEISA-N 265.353 3.991 0 40 CHAB Cc1cccnc1NC(=O)c1ccc(OC(F)(F)F)cc1 9741164 OZJXUTNXLJZAJN-UHFFFAOYSA-N 296.248 3.541 0 40 CHAB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccncc2)C1 75503156 XWSJZDZOLQIGBW-MLGOLLRUSA-N 299.349 3.836 0 40 CHAB OCc1c(-c2ccccc2OC(F)(F)F)noc1C1CC1 115226201 YJPRZVHHSVCUIU-UHFFFAOYSA-N 299.248 3.610 0 40 CHAB O=C(O)CCCCCCc1nc2ccccc2s1 36644014 XQZQBIJWXNSRLC-UHFFFAOYSA-N 263.362 3.874 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4C=C[C@@H]3[C@@H]1CCC2=O 4370096 WTRRIQCGCGCMQA-CVYDXHPNSA-N 268.356 3.898 0 40 CHAB biogenic CCC(C)(C)NC(=O)/C=C/c1ccc(F)c(Cl)c1 35903700 ACPVVIHYENDTPQ-SOFGYWHQSA-N 269.747 3.797 0 40 CHAB Clc1cccc(-c2cc(-c3cccnc3)[nH]n2)c1 216696871 IJOPQCMHBICQNF-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB CC[C@H]1c2ccsc2CCN1Cc1ccncc1 72350997 UYATWASYAAIBPJ-AWEZNQCLSA-N 258.390 3.653 0 40 CHAB Cc1cc(SC2CCCCC2)ncc1[C@H](C)O 72223837 MLQULLWBDBGVIG-NSHDSACASA-N 251.395 3.868 0 40 CHAB C[C@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)C 13708807 WLZZUAMYSGGSGQ-LBPRGKRZSA-N 271.360 3.522 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc(C)nc2)c(C)c1 40039860 WBAQFVXDWUCJRR-UHFFFAOYSA-N 254.333 3.568 0 40 CHAB CCN(Cc1ccccc1)C(=O)c1c(F)cccc1F 80053752 WWMNXFJMLWOKHV-UHFFFAOYSA-N 275.298 3.627 0 40 CHAB CCOCCn1c(-c2cccc(OC)c2)nc2ccccc21 40250209 IOOPMTLDNIBNMX-UHFFFAOYSA-N 296.370 3.748 0 40 CHAB CC(C)CCOc1ccc(F)cc1C(=O)C(F)(F)F 95732711 ADTISJKBXVUSLN-UHFFFAOYSA-N 278.245 3.996 0 40 CHAB Nc1cc(Cl)c(NCc2ccccn2)c(Cl)c1 96524275 GDJNZNZIKRABLE-UHFFFAOYSA-N 268.147 3.583 0 40 CHAB CC(C)CN1CCC[C@]2(CCN(Cc3cccs3)C2)C1 96215257 WKNRVMJQSOEODR-KRWDZBQOSA-N 292.492 3.692 0 40 CHAB CC(C)[C@H]1C[C@@H](N)c2ccccc2N1C(=O)OC(C)(C)C 252492252 MGPYHEWUULDAER-UKRRQHHQSA-N 290.407 3.856 0 40 CHAB CCCN(c1ccc(C)c(Cl)c1)[C@H](CC)C(=O)O 260677455 FRLCQGSKZULESY-CYBMUJFWSA-N 269.772 3.728 0 40 CHAB Cc1ccc(C(=O)c2ccc(F)c(F)c2F)c(C)c1 94183943 NURKYSTYMZTCHF-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCC[C@@H]1C(=O)O 95634108 UHUFYNOPLBARQB-OLZOCXBDSA-N 280.751 3.722 0 40 CHAB Cc1ccc(C(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1Cl 95634096 GXSXKYDUDCQNCK-NWDGAFQWSA-N 280.751 3.722 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1c(C)ccc2ccccc12 575358378 JANJJMHHPGVROH-UHFFFAOYSA-N 270.328 3.673 0 40 CHAB Nc1ccc(Cl)cc1[C@](O)(/C=C/C1CC1)C(F)(F)F 200508574 QJPXOOZAWLPVFD-BTDICHCPSA-N 291.700 3.638 0 40 CHAB in-vitro CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1 13994548 HPRPYYLHYUFUGB-OAHLLOKOSA-N 287.334 3.930 0 40 CHAB C[C@@H](O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 16576731 JCMGVNDLXSFCAW-SNVBAGLBSA-N 275.735 3.646 0 40 CHAB O=C(O)/C(=C\c1ccccc1)Sc1ccccc1 1712098 AYMHHNZJRYMOPW-SDNWHVSQSA-N 256.326 3.904 0 40 CHAB O=C1c2ccccc2CC[C@]12O[C@@H]2c1ccc(Cl)cc1 163823 PNULDHLWNWEBIT-SJORKVTESA-N 284.742 3.979 0 40 CHAB O=C(Nc1ccccc1)Nc1ccc(O)cc1Cl 5603992 JQIBCXMDAAJNOR-UHFFFAOYSA-N 262.696 3.690 0 40 CHAB C[C@H](C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 40442445 SFSCZXRNLPFPTP-YFKPBYRVSA-N 286.171 3.912 0 40 CHAB Cc1ccc(-c2nnnn2-c2ccc(C)c(Cl)c2)cc1 411276 AIUABCSLHFSCRW-UHFFFAOYSA-N 284.750 3.600 0 40 CHAB COc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 365019 RXJRXLKKSUZOEL-KRWDZBQOSA-N 281.355 3.503 0 40 CHAB Clc1ccc(COc2ccccn2)cc1Cl 503693 KDBWDTDXPVPKII-UHFFFAOYSA-N 254.116 3.967 0 40 CHAB CCc1cccc(CC)c1Nc1nc(C)nc2c1cnn2C 1576938 OPNKUYKQDJOHHJ-UHFFFAOYSA-N 295.390 3.540 0 40 CHAB O=S1(=O)c2ccccc2Nc2ccc3ccccc3c21 1671860 YWXWUJJJMZJRNZ-UHFFFAOYSA-N 281.336 3.730 0 40 CHAB C[C@@]1(Cc2ccccc2)OC[C@@H](c2ccccc2)O1 1685996 QZMPOBJTQZEMJT-DLBZAZTESA-N 254.329 3.733 0 40 CHAB COc1ccc(NC(=O)Nc2onc(C)c2C)c(Cl)c1 1751433 ZVBYWSLVUCAGCT-UHFFFAOYSA-N 295.726 3.597 0 40 CHAB CCN(C(=O)c1cc(Cl)ccn1)C1CCCCC1 32876210 UCLNVPWVRLYIGB-UHFFFAOYSA-N 266.772 3.530 0 40 CHAB Cc1cc(C)cc(NC(=O)c2noc3c2C[C@@H](C)CC3)c1 7000201 UKSXCPVSGNZZDB-JTQLQIEISA-N 284.359 3.669 0 40 CHAB C[C@@H](Nc1ncnc2sc3c(c12)CCC3)c1ccccn1 8053807 COZWMYLYJVSAAR-SNVBAGLBSA-N 296.399 3.748 0 40 CHAB COc1cccc(OC)c1C(=O)OC1C[C@@H](C)C[C@@H](C)C1 17173091 XXFPTSPXHSBOAV-FUNVUKJBSA-N 292.375 3.685 0 40 CHAB CCOc1ccc(Nc2nc3ccccc3[nH]2)cc1 513047 SZGFTJBGIRXJSQ-UHFFFAOYSA-N 253.305 3.705 0 40 CHAB c1ccc(CCCNc2ncnc3sccc23)cc1 37485736 CTQGQGAIOHEAHP-UHFFFAOYSA-N 269.373 3.736 0 40 CHAB C[C@H](Nc1cc(Cl)nc(N)n1)c1ccccc1Cl 24056451 ZTRXYWDLBBBHKP-ZETCQYMHSA-N 283.162 3.539 0 40 CHAB CCCCNC(=O)c1cc2cc(Cl)ccc2o1 20898162 QSLUYHJQWYNPKA-UHFFFAOYSA-N 251.713 3.616 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H](O)C2 118934924 CVCDJRPXEWJAAY-TVRUUFEMSA-N 290.447 3.671 0 40 CHAB O=C(O)[C@@H](Cc1cccs1)c1ccc(Cl)cc1 11588976 JPSLSIJWIHDXBM-LBPRGKRZSA-N 266.749 3.812 0 40 CHAB CCN(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1 48303529 MYSUUNPPYYANCZ-UHFFFAOYSA-N 286.306 3.562 0 40 CHAB Cn1c2c(c3cc(Br)ccc31)CCCC2 62540091 YWIPKRNFMHVJMY-UHFFFAOYSA-N 264.166 3.820 0 40 CHAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1cccs1 8723887 RJBZBKQLGNOOET-NSHDSACASA-N 282.368 3.787 0 40 CHAB C(=C\c1ccccc1)\CNCCNC/C=C/c1ccccc1 22795564 OCPXRFLUCJRFJO-MFUUIURDSA-N 292.426 3.592 0 40 CHAB CC[C@@H](C(=O)Nc1ccc(C)cc1O)c1ccccc1 4666610 YTLDMXHICZPKQT-CQSZACIVSA-N 269.344 3.833 0 40 CHAB CC[C@@H]1CCCCN1CC(=O)c1c[nH]c2ccc(C)cc12 5561845 CZZCNCFZJXNAEH-CQSZACIVSA-N 284.403 3.924 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CN[C@@H]1CCCC[C@H]1C 6604152 HJCZAXHJTSFZEY-BXUZGUMPSA-N 294.826 3.755 0 40 CHAB CC(C)(C)c1ccc(OCC[C@@H]2CCCCN2)cc1 14632335 IYHQRTMRPDGNJQ-HNNXBMFYSA-N 261.409 3.895 0 40 CHAB in-vitro O=C(Nc1ccc(F)cc1F)c1ccc2ccccc2n1 5704832 KDHOUVOBCOSICN-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB Fc1ccc(C2=NC3(CCCCCC3)NC2=S)cc1 4890615 NNSLAAYXLJOKCK-UHFFFAOYSA-N 276.380 3.596 0 40 CHAB Cc1cc2nc(Oc3ccccc3)c3ccccc3n2n1 7737818 FFTLFRNUPVHHBW-UHFFFAOYSA-N 275.311 3.983 0 40 CHAB CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccco1 7885453 LLJBMTPTYUQXTJ-XHDPSFHLSA-N 270.332 3.645 0 40 CHAB COc1ccc(-n2cnc3cc(OC)ccc3c2=S)cc1 7995342 SSZRANRVWMKXDA-UHFFFAOYSA-N 298.367 3.772 0 40 CHAB COCc1c(C(=O)N2CCCC[C@H]2C)oc2ccccc12 9313581 HONNIJXHEYPJEA-GFCCVEGCSA-N 287.359 3.594 0 40 CHAB CCc1cnc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)s1 95968994 DICAYHXIOMZKPD-NEPJUHHUSA-N 292.452 3.895 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1ccccc1 32889965 UILYCDYZUAKQRI-HOTGVXAUSA-N 255.361 3.706 0 40 CHAB Cc1cc(Cl)nc(-c2cccc(Br)c2)n1 36755629 OVRBQQJDOPGAPE-UHFFFAOYSA-N 283.556 3.868 0 40 CHAB CC(C)(C(=O)O)[C@H](c1ccccc1)[C@H]1CCCCC1=O 3850132 AJVFOGGGBHLTOF-DZGCQCFKSA-N 274.360 3.640 0 40 CHAB biogenic C[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC=CCC1 32930667 LORLNTPBFBXZME-OCCSQVGLSA-N 277.795 3.744 0 40 CHAB Cc1c(-c2ccccc2)[nH]c2cc(F)ccc2c1=O 128815090 LBYIAFVVRDLSBW-UHFFFAOYSA-N 253.276 3.643 0 40 CHAB COC(=O)c1ccc2nc(-c3cccc(F)c3)sc2c1 73740383 LWOVTYYOLSKPIA-UHFFFAOYSA-N 287.315 3.889 0 40 CHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1(c2ccccc2)CCCC1 219953542 ZVBDCHABXKVITK-INMHGKMJSA-N 283.415 3.803 0 40 CHAB CC(C)(C)Sc1ncccc1[C@@H]1CCCCN1C=O 72217453 ILTRODOMRGQNIX-ZDUSSCGKSA-N 278.421 3.656 0 40 CHAB CCOC(=O)c1cc(N)ccc1N[C@@H](C)c1ccccc1 41079982 YZDFZDWRJBFVKQ-LBPRGKRZSA-N 284.359 3.619 0 40 CHAB COc1ccc(CCC(=O)N(C)c2ccccc2)cc1C 224124913 SKIVHDWJAPZNQM-UHFFFAOYSA-N 283.371 3.599 0 40 CHAB CCOc1ccc2c(c1)c(CNC)c(C)n2CC(C)C 223759147 RYHGHBILPINEJR-UHFFFAOYSA-N 274.408 3.724 0 40 CHAB CCOC(=O)c1c(C(F)(F)F)ccc(Cl)c1F 44200467 DGLYLSRTFQWLNF-UHFFFAOYSA-N 270.609 3.675 0 40 CHAB Cc1cc(C)c(NS(=O)(=O)c2ccc(F)s2)c(C)c1 225387802 PQORUCIGJIALND-UHFFFAOYSA-N 299.392 3.613 0 40 CHAB O=C(c1ccc2c3c(cccc13)CC2)C(F)(F)F 43505006 JTDAVHFCGHVUGN-UHFFFAOYSA-N 250.219 3.683 0 40 CHAB Clc1ccc(Cl)c(OCCC2OCCCO2)c1 89064057 GUJIVXNIXHEBEQ-UHFFFAOYSA-N 277.147 3.525 0 40 CHAB COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1C 222960335 ISYHEACWDWSGKN-ZDUSSCGKSA-N 281.355 3.595 0 40 CHAB CCOC(=O)c1ccc(C(C)(C)C)nc1-c1cccnc1 199568066 YQYDZTWFLINHTO-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Nc1nc2c(Cl)c(Cl)c(Cl)cc2s1 22121838 DINWZIXGFNHMIJ-UHFFFAOYSA-N 253.541 3.839 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1cc(Cl)ccc1F 95916698 CENSFYYACOFFNX-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB COc1ccc(Br)c(CCC(C)C)c1O 5051874 BVDMCKLHUMRDCW-UHFFFAOYSA-N 273.170 3.752 0 40 CHAB C[C@]12CCC[C@H]1[C@@H]1CC[C@H]3CNC(=O)C[C@]3(C)[C@@H]1CC2 5276583 BPIRFNVICIHJMC-JVSYPLCOSA-N 275.436 3.755 0 40 CHAB CC(C)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 5498941 IILRYVSUBKKLAS-UHFFFAOYSA-N 298.411 3.937 0 40 CHAB COc1cc2ccccc2cc1C(=O)Nc1cc(C)ccn1 5571405 RLGJSJOPBCLECE-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB O=C/C=C/C1=C2O[C@@H]3C=CC=CC3=C[C@H]2c2ccccc21 5783181 LBAQLBKGECJMFD-MXDAGHGGSA-N 274.319 3.701 0 40 CHAB Cc1cccc(-c2[nH]ncc2-c2ccc(F)cc2)n1 13526637 VJPFFCRCUZQGJL-UHFFFAOYSA-N 253.280 3.586 0 40 CHAB O=C(CCc1cccnc1)Nc1ccc(Cl)cc1Cl 20897408 KWVHWESECZPNOK-UHFFFAOYSA-N 295.169 3.960 0 40 CHAB O=C1N(Cc2ccccc2)[C@@H](c2cccc(F)c2)C1(F)F 3195633 OURZLXWEKHKPGR-AWEZNQCLSA-N 291.272 3.545 0 40 CHAB O=C(NCCc1ccccc1)C1(c2cccs2)CCCC1 12157775 ROIJGAUINJHDTH-UHFFFAOYSA-N 299.439 3.919 0 40 CHAB CCN(C(=O)C1=Cc2ccccc2OC1)c1ccc(F)cc1 24135210 LZGXZQVQDAEGSZ-UHFFFAOYSA-N 297.329 3.655 0 40 CHAB C[C@@H](NC(=O)CCSC(F)(F)F)c1cccs1 40513804 YDRVSHYBOJKJFR-SSDOTTSWSA-N 283.340 3.568 0 40 CHAB CC(=O)N1N=C(c2ccc(Cl)cc2)OC12CCCCC2 209007 WEVPOICNQAAOHV-UHFFFAOYSA-N 292.766 3.541 0 40 CHAB O=C1CS[C@H](c2ccccc2)N1c1ccc(F)cc1F 424033 RJCMQNMCNWXAED-OAHLLOKOSA-N 291.322 3.743 0 40 CHAB Cc1ccc(C)c(NC(=S)N2CCC[C@H](C)C2)c1 477873 ZOYITEMXNPOMBC-LBPRGKRZSA-N 262.422 3.732 0 40 CHAB Cc1c(CCc2ccccc2)c(=O)oc2cc(O)ccc12 386444 LXEOSKKNXJCQKO-UHFFFAOYSA-N 280.323 3.592 0 40 CHAB O=C(Nc1ccccc1F)c1ccc2ccccc2n1 2639995 QXDMDZMFZPKBLH-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB CSc1nc2c(c(Nc3ccc(C)cc3)n1)CCC2 11907749 QEGFPIBXOMZPPJ-UHFFFAOYSA-N 271.389 3.739 0 40 CHAB CCN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3cc21 1578335 FNGKJWDTEBDTNX-UHFFFAOYSA-N 297.276 3.584 0 40 CHAB Cc1nc2ccccc2nc1-c1nc2ccccc2nc1C 1681123 ZIXYVLMASAVJLU-UHFFFAOYSA-N 286.338 3.857 0 40 CHAB Nc1c(C(=O)c2ccc(F)c(F)c2)oc2ccccc12 3333018 DELIAZDNQOYTOC-UHFFFAOYSA-N 273.238 3.524 0 40 CHAB C[C@@H](N(C)C(=O)Nc1ccccc1F)C(C)(C)C 32779624 NEFKCWRZRSXTCY-SNVBAGLBSA-N 252.333 3.724 0 40 CHAB Cc1c(O)ccc(NC(=O)c2cccc(Cl)c2)c1C 3074180 VIPUUZWRFAHKCV-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB COc1ccc(CCC(=O)Nc2ccccc2C)cc1OC 3481358 FDBAZNLPXQTZSM-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 6502157 MOASTVGEHHTYQV-HNNXBMFYSA-N 287.403 3.769 0 40 CHAB CCCN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O 6657297 FFRGLUIILZOGNM-FMIVXFBMSA-N 293.413 3.855 0 40 CHAB Cc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)cc1C 7000196 LJMRGQWBSZIAHK-JTQLQIEISA-N 284.359 3.669 0 40 CHAB COc1cccc(C(=O)Sc2nc3ccccc3n2C)c1 7343483 GQEPIOKDMPOORY-UHFFFAOYSA-N 298.367 3.514 0 40 CHAB Cc1cc(N2CCC(Cc3ccccc3)CC2)nnc1C 110099335 FJSRARYQPVHRLV-UHFFFAOYSA-N 281.403 3.553 0 40 CHAB COc1cccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 10542755 HRMSMTGJKJPVOQ-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC(C)C 8041773 PWLPKANJXWCHPH-AWEZNQCLSA-N 283.799 3.660 0 40 CHAB CC1(C)[C@]2(c3ccccc3)[C@H]3C[C@H](O)[C@@H]3[C@@]12c1ccccc1 104280318 WZTHKHSGKBYGRU-XJEPWFOTSA-N 290.406 3.913 0 40 CHAB CCCCN(CCCC)Cc1ccc(-n2cnnc2)cc1 57327802 LYZIPPRYXBESMV-UHFFFAOYSA-N 286.423 3.670 0 40 CHAB CCc1cc(C(=O)N2CCc3ccccc3C2)sc1C 23694568 CIKJHVQRGUPLPU-UHFFFAOYSA-N 285.412 3.817 0 40 CHAB Clc1cccc(-c2nnnn2-c2cccc(Cl)c2)c1 1386006 BKSNGBYMRTVXFY-UHFFFAOYSA-N 291.141 3.636 0 40 CHAB FC(F)(F)c1cccc(Nc2nnnc3ccccc23)c1 1404257 VQWFCYNCWYNCCU-UHFFFAOYSA-N 290.248 3.787 0 40 CHAB CCn1c(=O)n(Cc2ccc(SC)cc2)c2ccccc21 25008509 BXGQXPRXYMRWFA-UHFFFAOYSA-N 298.411 3.593 0 40 CHAB Cc1nc2c(Cl)nnc(-c3ccccc3)c2s1 26421243 RJFSKPPPHAGFQQ-UHFFFAOYSA-N 261.737 3.715 0 40 CHAB C[C@@H](NCC(=O)Nc1ccccc1Cl)c1ccccc1 57303736 KRCVHDLQZUNNTM-GFCCVEGCSA-N 288.778 3.629 0 40 CHAB CCN(C(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1 57413143 MAEADROMLXEZKI-UHFFFAOYSA-N 297.383 3.805 0 40 CHAB Cc1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)no1 12688746 PPPWJTJQUITNJF-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CCn1nccc1C(=O)Nc1ccc(-c2ccccc2)cc1 28239407 VYJWCEHYOYOEIK-UHFFFAOYSA-N 291.354 3.822 0 40 CHAB Cc1sc2[nH]c(=S)n(C3CCCC3)c(=O)c2c1C 6512047 QOOVGMDLTORJNS-UHFFFAOYSA-N 280.418 3.853 0 40 CHAB CC(=O)O[C@H]1c2ccccc2-c2ccccc2[C@@H]1OC(C)=O 4667592 AFGAFKSFAIFLNO-ROUUACIJSA-N 296.322 3.576 0 40 CHAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@@H]1C 5748502 CHRNFXUNBCWKDC-GXFFZTMASA-N 281.783 3.657 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1OC(F)F 15011410 QVFHOWALHJWUHS-UHFFFAOYSA-N 299.223 3.819 0 40 CHAB Cc1nc2cc(NC(=O)c3ccccc3C)ccc2o1 15525125 MXRDUGXWHNBTFK-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CC(C)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)n[nH]1 7424934 YYAQVDQHWXBSIX-UHFFFAOYSA-N 288.738 3.904 0 40 CHAB CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(OC)c1 7886466 UDEIVDRZOCLYMR-QGZVFWFLSA-N 296.370 3.672 0 40 CHAB O=C(Nc1nccs1)c1ccc2[nH]c3c(c2c1)CCCC3 16482927 YRXGRCUQELYEGL-UHFFFAOYSA-N 297.383 3.756 0 40 CHAB CC(C)c1ccc(NC(=O)c2ccn3cncc3c2)cc1 84625147 ANNQNMOFJJGQEI-UHFFFAOYSA-N 279.343 3.710 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccc(F)c(F)c2F)c1 28210573 MHXJFFIPMHSHME-UHFFFAOYSA-N 279.261 3.973 0 40 CHAB CC(C)=C[C@](F)(Cl)C(F)(F)Br 72265617 FUDNWUASIXXSGZ-RXMQYKEDSA-N 251.473 3.845 0 40 CHAB Cc1ccc(C)c(C(=O)NC[C@H](C)N(C)c2ccccc2)c1 36390694 DJTQUNQIMAJPIL-INIZCTEOSA-N 296.414 3.558 0 40 CHAB COc1ccc(C(=S)N2CCC(C)CC2)cc1Cl 33691760 WZPWTKZXQPFRNM-UHFFFAOYSA-N 283.824 3.756 0 40 CHAB NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)sc2c1 73740474 PZTWGNMSMZYIPP-UHFFFAOYSA-N 288.759 3.716 0 40 CHAB CCCCC[C@H](OC)c1ccc(CC(=O)OC)cc1 72220179 DTMXOCCTRGPZGX-HNNXBMFYSA-N 264.365 3.670 0 40 CHAB COc1ccccc1CCNC(=O)Nc1ccc(C)c(C)c1 40095505 MRTWIGZHOIXVOZ-UHFFFAOYSA-N 298.386 3.676 0 40 CHAB CCCC[C@H](CC)CNC(=O)COc1ccc(F)cc1 85423428 ABSGOLRSNPEJPM-ZDUSSCGKSA-N 281.371 3.537 0 40 CHAB Cc1nc2c(Br)cc(C(F)(F)F)cn2c1C 82586918 CJJYYEGZJOFGNC-UHFFFAOYSA-N 293.086 3.732 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccc2sncc2c1 225173242 DEADKPHRUPOZPX-VIFPVBQESA-N 279.434 3.771 0 40 CHAB Cc1ncc(-c2ccc(NC(=O)C(C)(C)C)cc2)o1 44845791 CGAUFJUSDKNQGZ-UHFFFAOYSA-N 258.321 3.635 0 40 CHAB CCc1ccc(C[C@@H](Oc2ccc(C)cc2)C(=O)O)cc1 225042356 WZHAUQKVDHUOCH-QGZVFWFLSA-N 284.355 3.632 0 40 CHAB COc1cc(C(C)C)ccc1-c1ccc(C(=O)O)[nH]1 76319183 AEXNQFCJOOCUEL-UHFFFAOYSA-N 259.305 3.512 0 40 CHAB Cc1ccc(C)c(C(=O)NCCOc2ccc(C)c(C)c2)c1 225053368 PPYYTQOLXQRRAV-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB Cc1c(F)cccc1[C@H](O)c1ccccc1Br 95730151 SMYNNIASFZSFNW-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB CC(C)c1ccc(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 95634422 XAGDIIWOXPHYBW-CABCVRRESA-N 272.344 3.660 0 40 CHAB Clc1ncncc1Oc1cccc(Br)c1 685936278 OICNJUSGMVLDDY-UHFFFAOYSA-N 285.528 3.685 0 40 CHAB Nc1cccc(Cl)c1NC(=O)CSc1ccccc1 92210279 XFGYXLSHWHYROU-UHFFFAOYSA-N 292.791 3.653 0 40 CHAB Cc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1Cl 8288075 PMRCTKBIRWTNDC-UHFFFAOYSA-N 285.734 3.777 0 40 CHAB CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1590055 AXQWLYVOVYXKFB-UHFFFAOYSA-N 294.181 3.871 0 40 CHAB CN(Cc1ccccc1)c1csc2ccccc2c1=O 5202379 NHLKDVIVPQDLOU-UHFFFAOYSA-N 281.380 3.898 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(OC(C)(C)C)cc1 575357862 XNZNSBLHLZTPDZ-UHFFFAOYSA-N 292.375 3.780 0 40 CHAB Cc1ccccc1NC(=O)NCC1(c2cccs2)CC1 38593142 UVPMWKZEHOLVHJ-UHFFFAOYSA-N 286.400 3.910 0 40 CHAB Cc1noc(C)c1CN(Cc1ccccc1)C(C)C 40009432 GMOSDSYTQRQDCQ-UHFFFAOYSA-N 258.365 3.702 0 40 CHAB Cc1cc(C)c2oc(-c3ccc(O)cc3)cc(=O)c2c1 20272605 OFKORUIULNKNTE-UHFFFAOYSA-N 266.296 3.782 0 40 CHAB Cc1cc(C)cc(NC(=O)CCOc2ccccc2)c1 132992 SUMODMWKICIOPH-UHFFFAOYSA-N 269.344 3.711 0 40 CHAB Cc1ccc(F)cc1NC(=O)Cc1c[nH]c2ccccc12 2638847 LGBOMDBASZJDTF-UHFFFAOYSA-N 282.318 3.797 0 40 CHAB O=C(NCc1ccc(F)cc1)c1cccc2ccccc12 326578 LLUZEWYXZPJRJZ-UHFFFAOYSA-N 279.314 3.909 0 40 CHAB O=C(OCC(=O)c1cccc2ccccc12)c1cccs1 2696601 OMCFQRUJLWNLEU-UHFFFAOYSA-N 296.347 3.941 0 40 CHAB COc1ccc([C@H](CN)c2c(C)[nH]c3ccccc23)cc1 11919586 WZKWOYOXPOFXOL-INIZCTEOSA-N 280.371 3.576 0 40 CHAB CCc1cccc(CC)c1NC(=O)COc1ccccc1 3443154 USVBNPCFBQLHLT-UHFFFAOYSA-N 283.371 3.829 0 40 CHAB C[C@H](Oc1cccc2ccccc12)C(=O)NC1CCCC1 6010729 QAIYNIWNODPXIJ-ZDUSSCGKSA-N 283.371 3.666 0 40 CHAB CCCNC(=S)Nc1cccc(-c2csc(C)n2)c1 7101734 MNUGJEGSCHGNBM-UHFFFAOYSA-N 291.445 3.815 0 40 CHAB Cc1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cc1 10449668 XRONTZFHMXDGKT-RUMSDORHSA-N 277.367 3.986 0 40 CHAB O=C(NCCc1ccccc1)c1cc(Cl)ccc1Cl 577945 KUJOGDVUPUWKHP-UHFFFAOYSA-N 294.181 3.966 0 40 CHAB Oc1ccc2c(c1)[C@H]1CCCC[C@@]1(N1CCCCC1)O2 22242119 KXGAXCOBOFZDMX-NVXWUHKLSA-N 273.376 3.624 0 40 CHAB CC(C)C(=O)c1cc(Cc2ccccc2)ccc1O 52068542 VAEQXRBQWPBYJL-UHFFFAOYSA-N 254.329 3.822 0 40 CHAB C[C@H](NC(=O)Cc1ccccc1)c1ccc2c(c1)CCCC2 28671666 PRMXOCPVKMCNTB-HNNXBMFYSA-N 293.410 3.985 0 40 CHAB CC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 3047220 LDAYCTPDUCDKED-UHFFFAOYSA-N 255.248 3.837 0 40 CHAB CC(C)(C)OC(=O)Nc1ccccc1OC(F)(F)F 21984936 NFYIFHKKXHUGPJ-UHFFFAOYSA-N 277.242 3.932 0 40 CHAB CC(C)c1nnc(SCc2ccc(F)cc2)o1 20034504 NPRKZSNRXVYWKT-UHFFFAOYSA-N 252.314 3.624 0 40 CHAB Cc1noc(C)c1CSc1ncnc2ccccc12 3294500 PVIGONNFUORDSF-UHFFFAOYSA-N 271.345 3.527 0 40 CHAB CC[C@H](C(=O)Nc1cccc(COC)c1)c1ccccc1 25335836 ARALMRLLZVBZQV-KRWDZBQOSA-N 283.371 3.965 0 40 CHAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cccs2)C1 100626525 SWEDMORAHBXTJR-ABAIWWIYSA-N 263.406 3.789 0 40 CHAB Fc1ccccc1CSc1nc(-c2cccs2)n[nH]1 3324662 RCGDPHWTBQRCHL-UHFFFAOYSA-N 291.376 3.965 0 40 CHAB Cc1ccc2cc(C(=O)N3CCC[C@H](C)CC3)[nH]c2c1 58163472 VKXMEEJZIJOPDY-LBPRGKRZSA-N 270.376 3.739 0 40 CHAB CCN(CCC(F)(F)F)C(=O)c1ccc(C)c(F)c1 58404906 ZNOMRGFTNKTBKZ-UHFFFAOYSA-N 277.261 3.549 0 40 CHAB CC(C)n1cnnc1SCc1ccc(F)cc1Cl 36396719 WEOBKMZCXWGJSO-UHFFFAOYSA-N 285.775 3.944 0 40 CHAB SC1=N[C@H](c2ccccc2)C2=C(N1)c1ccccc1CC2 2482147 FDBVJMGYNUBQKV-MRXNPFEDSA-N 292.407 3.974 0 40 CHAB CCCCCn1c(=S)[nH]c2sc(C)cc2c1=O 16991479 BYDXZQMKPNTVQS-UHFFFAOYSA-N 268.407 3.619 0 40 CHAB CCCCCCNC(=O)Nc1ccc(C(=O)OCC)cc1 6050870 RRSSXSVRABPTAK-UHFFFAOYSA-N 292.379 3.565 0 40 CHAB COc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695279 XEXBCOBZCNCBRU-UHFFFAOYSA-N 296.292 3.842 0 40 CHAB CCN(c1ccc(NC(=O)c2ccncc2)cc1)C(C)C 5200354 OOJCFJIZLPAQFX-UHFFFAOYSA-N 283.375 3.569 0 40 CHAB Cc1cccc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)c1 8852205 CNVAZELWYSZDNO-AWEZNQCLSA-N 298.386 3.843 0 40 CHAB Cn1c(C(=O)Nc2cccc3[nH]ccc23)cc2ccccc21 70666646 OIMKMYMXJFKRAB-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)c1 8705960 QJIYQNJMKHRLCF-OAHLLOKOSA-N 297.354 3.500 0 40 CHAB CO[C@@H](C)c1cccc(N[C@H](C)C2CCN(C)CC2)c1 97045956 DPSWZMCJXIQDMK-KGLIPLIRSA-N 276.424 3.536 0 40 CHAB O=C(NCc1ccco1)c1cc(-c2ccccc2)cs1 9385161 LVABIJDTLJCSLP-UHFFFAOYSA-N 283.352 3.938 0 40 CHAB COc1ccc2oc(-c3cccc(NC(C)=O)c3C)nc2c1 72260293 QUARUYCTCMBQKF-UHFFFAOYSA-N 296.326 3.770 0 40 CHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@@H]2C)cc1 32823482 ULQJVFOQBNRMGO-XKQJLSEDSA-N 287.403 3.795 0 40 CHAB Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1F 32905307 HTCWRMARUWGKDV-KRWDZBQOSA-N 283.346 3.894 0 40 CHAB CC(C)CNc1ccc([C@H]2CCCN2CC(C)C)cn1 72213318 ZVFQRABDPDLDLH-MRXNPFEDSA-N 275.440 3.942 0 40 CHAB NCC1(c2cc(-c3ccc(Cl)cc3)on2)CCCC1 72220693 XQCAQXLMFDHRQO-UHFFFAOYSA-N 276.767 3.766 0 40 CHAB C[C@@H]1C[C@H](C(=O)NCC2CCCCC2)c2ccccc2N1 37260064 IBMRHXQNKOLFAK-CJNGLKHVSA-N 286.419 3.671 0 40 CHAB CCc1cc(=O)c2cc(Oc3ccccc3)ccc2[nH]1 36912682 RZUFSGUAPSYNDO-UHFFFAOYSA-N 265.312 3.883 0 40 CHAB CC(C)Cn1c(CN2CCCCC2)nc2ccccc21 76555471 FWUXKJHDLQFNBC-UHFFFAOYSA-N 271.408 3.678 0 40 CHAB CC(=O)N1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 72212133 BBBOBMWJFSANPF-INIZCTEOSA-N 282.343 3.557 0 40 CHAB CC(C)CNc1ncccc1[C@@H]1CCCN1CC(C)C 72213257 LCZCELLFRAPVLK-INIZCTEOSA-N 275.440 3.942 0 40 CHAB O[C@H](c1ccccc1)c1ccc(Oc2ccccc2)nc1 72225182 HNTKAZRCWHELFD-GOSISDBHSA-N 277.323 3.956 0 40 CHAB CCCCC[C@@H](OC)c1ccc(CC(=O)O)cc1 72220150 BGZMLSOPFBXKSW-CQSZACIVSA-N 250.338 3.582 0 40 CHAB CCc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1 45920368 AMQAMJDLWUBUBT-UHFFFAOYSA-N 290.326 3.638 0 40 CHAB Cc1cccnc1NC(=S)N[C@@H](C)CCc1ccccc1 225516314 WEDSBHWLKQVITC-AWEZNQCLSA-N 299.443 3.698 0 40 CHAB COc1ccc(C(=O)CCc2ccc(F)c(F)c2)cc1F 228932026 NRMKCDAJCHUFTI-UHFFFAOYSA-N 294.272 3.928 0 40 CHAB CSc1ccc(NC(=O)N2CCCC2)cc1Cl 83075308 ALMMDIVWOCIZLS-UHFFFAOYSA-N 270.785 3.690 0 40 CHAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2cccnc2)c1 225538867 CNUORNZMNRGJIC-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB Cc1ccccc1OCC(=O)NC(C)(C)Cc1ccccc1 224011546 BECYPDHGRILHBS-UHFFFAOYSA-N 297.398 3.511 0 40 CHAB O=C(c1cccs1)N1CCS/C1=C/c1cccs1 225234373 OZUXLIRITMUMDX-FMIVXFBMSA-N 293.438 3.997 0 40 CHAB CCC[C@H](C)C(=O)Nc1cc(Cl)c(OC)cc1OC 44569947 CIYFSPSQYYHKCV-VIFPVBQESA-N 285.771 3.732 0 40 CHAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccccc1C 80345895 QOASFCMBXCPYBT-INIZCTEOSA-N 297.398 3.891 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(C)cc1 223150853 YZOUNQULYXPTGU-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB CCCC[C@H](CC)CNC(=O)C(Cl)(Cl)Cl 2741753 KLPOENYMYNCXQY-QMMMGPOBSA-N 274.619 3.689 0 40 CHAB CCc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1CC 685938605 QIURMMSWQDXATE-UHFFFAOYSA-N 269.266 3.672 0 40 CHAB CC(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 5519403 WMEUDAWMVHHPLY-UHFFFAOYSA-N 295.367 3.831 0 40 CHAB C[n+]1cccc([C@H]2O[C@@H]3CCCC[C@@H]3C3=CCCC[C@H]32)c1 12655907 RSUINDYISXUKNH-NCXUSEDFSA-N 284.423 3.868 0 40 CHAB COc1cc(C)c(NC(=O)C2CCCCC2)cc1OC 12975283 QSDJGSJGCCYYKC-UHFFFAOYSA-N 277.364 3.531 0 40 CHAB C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(C2CCCCCC2)CC1 19790111 XCBFRNWRTZBQAU-SQNIBIBYSA-N 288.479 3.539 0 40 CHAB CCOc1ccccc1Nc1cc(C(F)F)nc(C)n1 1888882016 QDHIZWNLDIXXBC-UHFFFAOYSA-N 279.290 3.865 0 40 CHAB Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 299214 OQBYZGSDZYWPSV-UHFFFAOYSA-N 264.328 3.658 0 40 CHAB biogenic Nc1ccc(NC(=O)c2ccccc2Cl)c(Cl)c1 569970 JRSQYJAQRXTCMC-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CCC(CC)C(=O)Nc1ccc(N(CC)CC)cc1 384170 IVBLKCDWBCLVAL-UHFFFAOYSA-N 262.397 3.908 0 40 CHAB O=C(Oc1ccc2ccc(O)cc2c1)C1CCCC1 365159 MANJVWYVGOJTSE-UHFFFAOYSA-N 256.301 3.641 0 40 CHAB C[C@@H]1CCc2noc(NC(=O)c3ccccc3Cl)c2C1 11914810 GBLRHPXZVYFNEH-SECBINFHSA-N 290.750 3.705 0 40 CHAB Clc1cc(Cl)c2[nH]c3c(c2c1)CCc1nonc1-3 865055 AKLGZSZFOKLAFA-UHFFFAOYSA-N 280.114 3.623 0 40 CHAB COc1ccc2nc(C(=O)c3ccccc3)c(C)cc2c1 1628650 RITZNXFYIQMRQO-UHFFFAOYSA-N 277.323 3.783 0 40 CHAB CC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1 1675317 ZUVZZEPDCCMCJG-UHFFFAOYSA-N 281.399 3.513 0 40 CHAB Fc1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1 69835931 WTAFRMQHZUJWOW-UHFFFAOYSA-N 290.301 3.826 0 40 CHAB Cc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1 521675 CGYPXCCYAQWOTM-UHFFFAOYSA-N 286.338 3.767 0 40 CHAB O=C1O[C@H](c2ccccc2)Nc2cc(C(F)(F)F)ccc21 54363824 UNZMAZISGABVIK-CYBMUJFWSA-N 293.244 3.987 0 40 CHAB O=C(O)c1c(Cl)cc(OC(F)(F)F)cc1Cl 12359307 HJBCPDRNEWTQCH-UHFFFAOYSA-N 275.009 3.590 0 40 CHAB Cc1cccnc1NC(=O)Cc1ccc2ccccc2c1 12526849 ONLQEGAEBQIOEJ-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB Cc1c(C(=O)N2CCOc3ccccc32)oc2ccccc12 24585975 CEXIGZJJGDFKII-UHFFFAOYSA-N 293.322 3.780 0 40 CHAB Cc1ccc(F)cc1[C@@H](O)c1ccc(Br)cc1 55200930 SYPOUSPQJSIXEW-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB C[C@]12C=C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 55160979 RZFGPAMUAXASRE-YSZCXEEOSA-N 290.447 3.527 0 40 CHAB in-man Cc1cccc(CC(=O)Nc2cccc(Cl)c2)c1 8382897 QHCQUVJQOSIECG-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB Cc1ccccc1CN(C)C(=O)c1ccc2ccccc2n1 3406933 BKGGRKBRNNCRDF-UHFFFAOYSA-N 290.366 3.815 0 40 CHAB COc1cccc(-c2nc3cc(Cl)ccc3n2C)c1 48526458 JODCJQVCWVCCBK-UHFFFAOYSA-N 272.735 3.902 0 40 CHAB CCCn1c(C)cs/c1=N\C(=S)Nc1ccccc1 13109036 PJTFGPOOLJITBC-PEZBUJJGSA-N 291.445 3.566 0 40 CHAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccccc2)o1 49546556 DABLNAVFBRYIFE-LBPRGKRZSA-N 293.326 3.804 0 40 CHAB O=C(CCCc1nc2ccccc2s1)Nc1ccncc1 9220571 TWLPHDJARCTKDN-UHFFFAOYSA-N 297.383 3.653 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)CCc1ccccc1F 24193411 RGYZCHNJTLXHKW-CQSZACIVSA-N 285.362 3.944 0 40 CHAB C[C@H]1CNc2ccccc2N(Cc2ccccc2)C1 71790282 OYAURBRKUKRSEP-AWEZNQCLSA-N 252.361 3.755 0 40 CHAB in-vitro CC[C@@H](C)[C@@H](C)NCc1nc(-c2cccc(C)c2)no1 95462639 NPYGPEOXFQQELY-CHWSQXEVSA-N 273.380 3.569 0 40 CHAB CC(=O)c1c(C)nc2c(-c3ccccc3)c(C)nn2c1C 408542858 LKCBAGUHJSKSOP-UHFFFAOYSA-N 279.343 3.524 0 40 CHAB CCN(C(=O)c1ccc(Cl)o1)c1ccccc1C 32753793 NXURVKLONJAWPK-UHFFFAOYSA-N 263.724 3.908 0 40 CHAB O=C(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 37343328 DSHZQLTWBMTKEW-UHFFFAOYSA-N 273.235 3.527 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)OCc1ccccc1 8650120 FLEDMTNAZUAUSS-UHFFFAOYSA-N 279.339 3.844 0 40 CHAB biogenic Fc1ccc2nccc(Br)c2c1Cl 72319648 SMQBQWVJJPCATE-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB CC(C)[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1 48184763 XZZAAYRTJHCQGD-GFCCVEGCSA-N 283.799 3.660 0 40 CHAB Cc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1 45222140 DQKMGYCMGNLFLG-UHFFFAOYSA-N 295.382 3.891 0 40 CHAB COc1ccc(C2=CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 40539878 LWVWBJRTUUPYDC-QGZVFWFLSA-N 297.398 3.667 0 40 CHAB Cc1ccc2oc([C@H]3CC(=O)N(c4ccccc4)C3)nc2c1 82087162 JSENEWQPRWELHF-ZDUSSCGKSA-N 292.338 3.657 0 40 CHAB CCCC[C@@H](CC)CNC(=O)[C@H](c1ccccc1)N(C)C 225118482 WJKQPYGPWQFUOP-WBVHZDCISA-N 290.451 3.622 0 40 CHAB CC(C)[C@H](C(=O)O)N1c2ccccc2[C@H](C)CC1(C)C 260613212 DQKMNBVHPPVOCK-IUODEOHRSA-N 275.392 3.888 0 40 CHAB C[C@@H](NC(=O)c1cc2ccccc2o1)[C@@H]1C[C@H]2CC[C@H]1C2 104657550 VYUGXMKFMWEWJD-OSFYFWSMSA-N 283.371 3.987 0 40 CHAB CCCc1nc(CN(Cc2cccnc2)C2CC2)cs1 95446654 GVPYCSZABYHIQQ-UHFFFAOYSA-N 287.432 3.655 0 40 CHAB Fc1ccc(OCc2cccc(Br)c2)cn1 95972277 CXIFUQXPVIYBFN-UHFFFAOYSA-N 282.112 3.562 0 40 CHAB CCNC(=O)CCSc1ccc(C(C)(C)C)cc1 386119 KHCSFMWUKZHGEI-UHFFFAOYSA-N 265.422 3.602 0 40 CHAB O=C(O)CCCc1ccc(-c2ccc(F)cc2)cc1 26544466 QJXYFMHMLHXAGW-UHFFFAOYSA-N 258.292 3.900 0 40 CHAB Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CC2)c1 11750019 SCYDEMABICOHQC-UHFFFAOYSA-N 279.383 3.765 0 40 CHAB CCOc1ccc(NC(=O)CNc2ccccc2CC)cc1 7977406 AJPIMOITUUHMAK-UHFFFAOYSA-N 298.386 3.698 0 40 CHAB Cc1cc2nc(NC(=O)Nc3ccccc3)[nH]c2cc1C 6501363 FNSXWTKPPYZZFD-UHFFFAOYSA-N 280.331 3.824 0 40 CHAB COc1ccc(OC)c(C(=O)c2ccc(F)cc2Cl)c1 36940128 JLGZRAZAZBYCNG-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB CCc1ccccc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100757778 UOAQTVXDFNJWIG-RTBURBONSA-N 299.414 3.973 0 40 CHAB COc1ccc2c(Cc3ccccc3F)noc2c1 20722161 SEPYDYYFKYMYDV-UHFFFAOYSA-N 257.264 3.566 0 40 CHAB Cc1nc2ccccc2nc1N1CCc2ccccc2C1 29401212 ZQEYMFAKOYLJAR-UHFFFAOYSA-N 275.355 3.501 0 40 CHAB CC[C@H](C(=O)n1cnc2ccccc21)c1ccccc1 117405 HYVRTKFPAVSLJI-AWEZNQCLSA-N 264.328 3.870 0 40 CHAB CCc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 11758856 CYOSNCUDHODFOQ-UHFFFAOYSA-N 297.354 3.663 0 40 CHAB C[C@H]1CCC[C@@]2(C1)NCCc1c2[nH]c2ccccc12 32666101 LPEYZMKDCFQJKR-SJCJKPOMSA-N 254.377 3.719 0 40 CHAB O=C(O)C1(c2ccc(F)cc2Cl)CCCCC1 1081354 LASDSPQVVMYXNX-UHFFFAOYSA-N 256.704 3.766 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)n2cccc/c2=N\C(C)C)C1(C)C 102191169 VIGSRIKCSUPDBH-QSPFEFCHSA-N 286.419 3.676 0 40 CHAB Cn1c2c(cc(-c3ccccc3)c1=O)COc1ccccc1-2 1629358 NWHBOPNLOKVPEM-UHFFFAOYSA-N 289.334 3.612 0 40 CHAB CCOC(OCC)(C(=O)c1ccccc1)c1ccccc1 2389971 GIMQKKFOOYOQGB-UHFFFAOYSA-N 284.355 3.795 0 40 CHAB CCCC[C@H](CC)C(=O)NCCc1ccc(F)cc1 6397958 MSBNIRKSYUICPX-AWEZNQCLSA-N 265.372 3.701 0 40 CHAB O=C(NCC1CCCCC1)Nc1ccc(F)cc1 6883298 ZUXQFSGSDNALDR-UHFFFAOYSA-N 250.317 3.528 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccc(Cl)cc1 7520974 FKHIHOJEPDPDPC-VIFPVBQESA-N 256.802 3.815 0 40 CHAB O=C(c1ccc(C2OCCO2)s1)C1CCCCCC1 43210363 MIHHCWSOCQTWQB-UHFFFAOYSA-N 280.389 3.947 0 40 CHAB Cc1nc(N)nc(Sc2ccc(Cl)cc2)c1Cl 1395863 HZSINMVZSCUMLF-UHFFFAOYSA-N 286.187 3.825 0 40 CHAB CSc1nc(Cl)cc(Nc2ccc(F)cc2)n1 1398048 RVXPEKNZBLAXJM-UHFFFAOYSA-N 269.732 3.735 0 40 CHAB CC(C)CC[C@H](CC(=O)O)[C@@H]1CCOC(C)(C)C1 2159736 CGFDHQZQOJIQDO-CHWSQXEVSA-N 256.386 3.719 0 40 CHAB biogenic CC(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610530 DTNFEDWRCAQEIW-UHFFFAOYSA-N 294.358 3.502 0 40 CHAB COc1cccc(C(=O)c2ccc(F)c(Cl)c2)c1 2574647 OQNCHFCLGOLKMF-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CCCc1ccc(C(=O)CCCCC(=O)OCC)cc1 2580360 QZNSVOYUADPLIC-UHFFFAOYSA-N 276.376 3.945 0 40 CHAB COCc1cccc(C(=O)Nc2ccc(F)cc2Cl)c1 12793153 RQTJRWGKZXRADV-UHFFFAOYSA-N 293.725 3.878 0 40 CHAB Cc1cc(CNc2ccc3nc(C)sc3c2)no1 48421901 GNUWVEWKYQAQPX-UHFFFAOYSA-N 259.334 3.513 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 12973095 IIQQETLIAJWBIO-IUODEOHRSA-N 282.387 3.530 0 40 CHAB CN(Cc1ccsc1)C(=O)c1cc2ccccc2cc1O 13006234 XVVLRQQFZQEHAR-UHFFFAOYSA-N 297.379 3.879 0 40 CHAB CCOc1ccccc1Oc1coc2cc(O)ccc2c1=O 4278393 DGQHOSPYXVIASH-UHFFFAOYSA-N 298.294 3.690 0 40 CHAB biogenic CC(C)CCC[C@H](C)NC(=O)Cc1cccs1 4550358 PSFVOVJRLYLOJG-LBPRGKRZSA-N 253.411 3.622 0 40 CHAB CC(=O)c1ccccc1OC(=O)c1ccccc1OC(C)C 14782982 OSGDUFBZFJLRRC-UHFFFAOYSA-N 298.338 3.896 0 40 CHAB CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 5719742 GWFPZNWTHIITBJ-IAGOWNOFSA-N 299.801 3.868 0 40 CHAB CCCOc1ccccc1C(=O)N(C)c1ccccc1 96319255 DSTBWWVBBJWYAV-UHFFFAOYSA-N 269.344 3.752 0 40 CHAB Cc1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)nc1 71920911 ZIRTVFOYHZPLNV-UHFFFAOYSA-N 298.386 3.839 0 40 CHAB O=C(CC1CCCC1)N1CCc2[nH]c3ccccc3c2C1 9899843 RFHAOPWIPVVLGO-UHFFFAOYSA-N 282.387 3.633 0 40 CHAB Cc1ccc(SCCN(C)Cc2ccc(F)cc2)nc1 97139645 HHSMMXIFPCJLDW-UHFFFAOYSA-N 290.407 3.753 0 40 CHAB CCCOc1cc(CNC(CC)CC)ccc1OC 98078512 KHQVCMWHOKQHCB-UHFFFAOYSA-N 265.397 3.762 0 40 CHAB Cc1ccc(-c2nnc(-c3cnc(C4CC4)nc3C)o2)cc1 216604139 MJFHXLUNJNRESP-UHFFFAOYSA-N 292.342 3.688 0 40 CHAB c1ccc([C@@H]2CN(C[C@@H]3CCOC3)CC23CCCC3)cc1 36719492 UDZOJCHIZIODME-WMZOPIPTSA-N 285.431 3.683 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cc1 32578940 CKCGRFJDFAISKF-UHFFFAOYSA-N 250.301 3.729 0 40 CHAB CC[C@@H](O)c1ccc(SC2CCCCC2)nc1 72225722 BXRUAZOWDZTUKQ-CYBMUJFWSA-N 251.395 3.950 0 40 CHAB O=C(Nc1cccnc1)N1CC[C@@H]1c1ccc(Cl)cc1 75503845 FMQQTQYAWPCQEK-CQSZACIVSA-N 287.750 3.714 0 40 CHAB CCCC[C@@H](C)OC(=O)c1snnc1-c1ccccc1 223832057 HTUDUTJQVAMZJD-LLVKDONJSA-N 290.388 3.941 0 40 CHAB CCc1ccc(CCC(=O)NCC2CCCCC2)cc1 224596464 CJRLHTIXVUCHDR-UHFFFAOYSA-N 273.420 3.878 0 40 CHAB Cc1cccc(C)c1C(=O)c1cccc(C2OCCO2)c1 43212554 PPMBGEMRJRULOY-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB O[C@H](c1cccc(Br)c1)c1ccc(F)c(F)c1 40254590 VJMFHOOTFJJLIM-CYBMUJFWSA-N 299.114 3.809 0 40 CHAB Cc1cc(C)c(C[C@@H](OCc2ccccc2)C(=O)O)c(C)c1 225138048 XLUDMXWDPVQCFF-GOSISDBHSA-N 298.382 3.824 0 40 CHAB COC(=O)C(C)(C)N1c2cc(C)ccc2C(C)=CC1(C)C 223205518 KXRDHJBZZCZZKG-UHFFFAOYSA-N 287.403 3.949 0 40 CHAB COC[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 249173806 DCLWKIWDAOWICU-WOPDTQHZSA-N 291.313 3.678 0 40 CHAB Fc1ccc(Br)cc1N1CCCCCC1 95915586 UPDGBCVRQBSALR-UHFFFAOYSA-N 272.161 3.969 0 40 CHAB Cc1noc(C)c1CN1CCC[C@@H]1c1ccc(F)cc1 55506069 SPJCPFUATJOLRA-MRXNPFEDSA-N 274.339 3.768 0 40 CHAB CNC(=S)Nc1c(Cl)cc(Cl)cc1Cl 6639503 FAEVHFGLERQYTF-UHFFFAOYSA-N 269.584 3.563 0 40 CHAB O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@@H]2C=C[C@H]1C2 5048770 NRTDLBDAGJPCIU-ISTRZQFTSA-N 263.340 3.991 0 40 CHAB FC1(F)S[C@@H]2[C@H]3C[C@@H]([C@H]2C1(F)F)[C@H]1CCC=C31 5062858 SBJPRTIBDXTBFQ-CEWVUARQSA-N 264.287 3.932 0 40 CHAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc(Cl)cc1 19287485 YSTXAYMWXJLSHB-WMLDXEAASA-N 299.805 3.700 0 40 CHAB CCCc1ncc(Br)c2ccccc12 1857794764 REGQBLYQDJIQIE-UHFFFAOYSA-N 250.139 3.950 0 40 CHAB COc1ccc(C(=O)c2cc(C)ccc2C)cc1F 35423915 ZPJPSKICSQTRTD-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB CCCc1ccc(C(=O)CCCCC(=O)OC)cc1 575359113 UDQJNJLLKKYVQM-UHFFFAOYSA-N 262.349 3.555 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)ccc2C)o1 40097792 OGFWIRXDEXSWIG-LLVKDONJSA-N 276.311 3.918 0 40 CHAB COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1F 51326163 DMFXNRCJROYJBB-UHFFFAOYSA-N 296.248 3.757 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1cn(C)c2ccccc12 20892357 YVLCSQJPXFPOFJ-ZDUSSCGKSA-N 270.376 3.583 0 40 CHAB CO[C@]1(c2ccc(C)cc2C)OC(=O)c2c(C)ccc(C)c21 1689904 KSGBKYOCZIGIQB-LJQANCHMSA-N 296.366 3.938 0 40 CHAB CCOC(=O)NCc1cccc2ccc(Cl)cc12 1745894 VZUMRHJNVQOHFB-UHFFFAOYSA-N 263.724 3.739 0 40 CHAB Cc1cccc(NC(=O)CNc2cc(C)ccc2C)c1 3411352 WVPLARHTFJIPBW-UHFFFAOYSA-N 268.360 3.662 0 40 CHAB CC1=C[C@@H](C)[C@@H]2CO[C@H](c3ccc(O)cc3)[C@H]1[C@H]2C 4026154 UVEZFZYRAYSXIF-YRCAPUFNSA-N 258.361 3.928 0 40 CHAB CCN(C(=O)OC)[C@@H](c1ccccc1)[C@@H]1CCCCC1=O 478181 BVPOVRXTVIIQRZ-ZBFHGGJFSA-N 289.375 3.575 0 40 CHAB C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]21CC[C@@]3(C)OC=O 4582593 AHZYNUWTBDLJHG-YCLREWFLSA-N 250.382 3.791 0 40 CHAB CC(C)Sc1nnc(COc2ccc(Cl)cc2)n1C 420504 LYDBNEGXFNHWMS-UHFFFAOYSA-N 297.811 3.548 0 40 CHAB CCCN1C(=O)c2[nH]nc(C)c2[C@@H]1c1ccc(C(C)C)cc1 4909614 DTEJSZCNYGLXQW-KRWDZBQOSA-N 297.402 3.797 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)c2cc(C)cc(C)c2)c1 6348878 YTNPFMKSFRHDBP-UHFFFAOYSA-N 296.370 3.904 0 40 CHAB CCC[C@H](C)NC(=O)c1ccccc1SCC 6779253 DENQMFHUTFLDFG-NSHDSACASA-N 251.395 3.717 0 40 CHAB CCc1ccccc1NS(=O)(=O)c1ccccc1Cl 6919595 OAVNBOOBCYSKIF-UHFFFAOYSA-N 295.791 3.703 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1cnn(-c2ccccc2)c1 7071692 UJUWCLSIOWSACM-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB C[C@H](c1nc2ccccc2s1)N(C)CCc1ccncc1 60995427 VKAJRTWNGWUBSI-CYBMUJFWSA-N 297.427 3.927 0 40 CHAB CCCN1CCC[C@@H]1c1ccc(N[C@H](C)CC)nc1 108368627 FIZLAPMVBYATNF-UKRRQHHQSA-N 261.413 3.839 0 40 CHAB CC[C@]12C[C@@H]3C[C@@](Br)(C1)C[C@@](C(=O)O)(C3)C2 100158682 MJKPKTLCKBPVQX-WKSBVSIWSA-N 287.197 3.585 0 40 CHAB CSc1nccn2nc(-c3cccc(Cl)c3)cc12 57510819 UACWOENITDIKOV-UHFFFAOYSA-N 275.764 3.772 0 40 CHAB Fc1ccc([C@@H]2CN(c3nc4ccccc4o3)CCO2)cc1 42097963 LLMXEHSQBPLTSZ-INIZCTEOSA-N 298.317 3.545 0 40 CHAB Clc1ccc2c(c1)CN(Cc1ccccc1)CO2 20059616 HYDSOPULFVUIEM-UHFFFAOYSA-N 259.736 3.692 0 40 CHAB COc1cccc(C(=O)c2ccccc2SC)c1 43209730 OSWBNGFNNQGGPP-UHFFFAOYSA-N 258.342 3.648 0 40 CHAB Cc1cc(=O)n(Cc2ccccc2)c2c(C)cccc12 1394029 ARZBXRHNCRPEKV-UHFFFAOYSA-N 263.340 3.667 0 40 CHAB O=C1[C@H]2CC=C[C@H]2C1(c1ccccc1)c1ccccc1 1561988 DNZJVCHYHROQDV-DLBZAZTESA-N 260.336 3.748 0 40 CHAB Cc1ccc(CNc2cccc3[nH]ncc23)c(C)c1 37783909 DISZFIPFWCGCAN-UHFFFAOYSA-N 251.333 3.792 0 40 CHAB Cc1cccc(-c2cncc(C(=O)NCc3ccco3)c2)c1 35789613 LSSXLOJCZCPMMR-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB CC(C)CNP(=O)(OCC(C)C)OCC(C)C 2256291 WTRCTKPAXDKBML-UHFFFAOYSA-N 265.334 3.685 0 40 CHAB COc1ccc(C(=O)CCc2ccc(C)cc2)cc1 2516431 PILCQTXJJGELQA-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB Cc1cccc(C)c1NC(=O)[C@]1(C)CC1(Cl)Cl 12818076 VWBLAOCMEHPHEU-LBPRGKRZSA-N 272.175 3.826 0 40 CHAB Cn1c(C(=O)NCCC(C)(C)C)c(Cl)c2ccccc21 49216225 MXTRMQZJMNUFRD-UHFFFAOYSA-N 292.810 3.998 0 40 CHAB CNc1nc(-c2ccc(Br)cc2)c(C)s1 6559883 OQLCMBZCUDHAHZ-UHFFFAOYSA-N 283.194 3.923 0 40 CHAB Cc1cc(=O)[nH]c(Nc2ccc(Oc3ccccc3)cc2)n1 5625857 RLZPXBCDQPLQKO-UHFFFAOYSA-N 293.326 3.614 0 40 CHAB CC[C@H](C)N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 6788127 CILWEQVQHBKYMA-DTWKUNHWSA-N 289.206 3.709 0 40 CHAB Cc1cc(CN[C@H](C)c2cccc(OC(C)C)c2)no1 97033090 DJIIJUWLPRABBC-CYBMUJFWSA-N 274.364 3.621 0 40 CHAB CCCCCNCc1ccc(-c2ccc(C(=O)O)cc2)o1 19796833 JBZOQMNGHJPESW-UHFFFAOYSA-N 287.359 3.925 0 40 CHAB Cc1nc2cc(NC(=O)CCc3cccs3)ccc2o1 15597091 FWIHGJAKFSMRMJ-UHFFFAOYSA-N 286.356 3.769 0 40 CHAB c1csc(-c2cc(CN3CCc4ccccc4C3)no2)c1 16332797 RVFYTLJKASLMPT-UHFFFAOYSA-N 296.395 3.961 0 40 CHAB COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1C 7954310 UWGRXCBVVZTWCW-QGZVFWFLSA-N 295.382 3.811 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)C1 83881605 CSSJFELVEGWOJH-WCBMZHEXSA-N 287.190 3.697 0 40 CHAB CC(=O)c1ccc(C)c(NC(=O)NCc2ccc(C)cc2)c1 96712476 OYQDBDIVJBYIHS-UHFFFAOYSA-N 296.370 3.828 0 40 CHAB O=C(C1=COCCC1)N1CCCC[C@@H]1CCc1ccccc1 95444941 BGRINNNIYRLNRC-GOSISDBHSA-N 299.414 3.695 0 40 CHAB Cc1ccc(Cc2noc(-c3noc4c3CCCC4)n2)cc1 545038713 IONNCZJQUDFSCZ-UHFFFAOYSA-N 295.342 3.503 0 40 CHAB CCCCOc1ccccc1/C=C/C(=O)OC(C)C 62714931 KMOGSFKJYSOPRU-ZHACJKMWSA-N 262.349 3.830 0 40 CHAB CCCNCc1ccc(Br)cc1Cl 37366878 POUDCVPNPRNNLT-UHFFFAOYSA-N 262.578 3.602 0 40 CHAB CN1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72348552 ARBLLYOSWTUVJU-CYBMUJFWSA-N 270.351 3.697 0 40 CHAB C[C@@H]1CC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C1 199802994 CMUASACBVVNFRL-VIFPVBQESA-N 294.276 3.656 0 40 CHAB COc1ccc(OCc2nc3cc(C)c(C)cc3[nH]2)cc1 82087003 BQQPLQLKWQKGOX-UHFFFAOYSA-N 282.343 3.767 0 40 CHAB COc1cccc(NC(=S)NC2(C)CCCCC2)c1 225847070 SPENKCCRHPQUQU-UHFFFAOYSA-N 278.421 3.704 0 40 CHAB COc1ccc(Nc2cc(C)c(Br)cn2)cc1 42784051 KUKYNDAPPRUMKI-UHFFFAOYSA-N 293.164 3.905 0 40 CHAB CCOc1cc(C(=O)O)ccc1-c1ccccc1C 97758259 UXCNTOVLXUPFQO-UHFFFAOYSA-N 256.301 3.759 0 40 CHAB CO[C@H](C)c1nc(Cl)cc(C2CCCCC2)n1 96529052 ZBERKLNKZIVACA-SECBINFHSA-N 254.761 3.885 0 40 CHAB Cc1nn(C(C)C)cc1CNc1cnn(C2CCCC2)c1 256049737 BEVGWOPOXTTXKK-UHFFFAOYSA-N 287.411 3.696 0 40 CHAB C[C@H](Cc1ccoc1)NC(=O)c1cccc(C(F)(F)F)c1 84828103 PRZAGVYWBUFKQW-SNVBAGLBSA-N 297.276 3.659 0 40 CHAB Cc1c(C(=O)[C@@H](C)Cl)cccc1C(F)(F)F 382731586 USDVKBARGKLWHH-SSDOTTSWSA-N 250.647 3.824 0 40 CHAB CC(C)Cc1c(O)nc2ccc(Br)cc2c1O 685936912 CLKVNCQHBFCYOL-UHFFFAOYSA-N 296.164 3.607 0 40 CHAB O=C(c1sccc1Br)C(F)(F)Cl 156635981 YAINBAHWUUOVRH-UHFFFAOYSA-N 275.501 3.525 0 40 CHAB Cc1ncsc1CN(C)Cc1ccc2ccccc2n1 96412961 WLZHTCMBBCBGTO-UHFFFAOYSA-N 283.400 3.632 0 40 CHAB C/C(=C1\N=C(c2ccccc2)OC1=O)c1ccc(C)cc1 356689 QFFMBOXLYJKPKE-DTQAZKPQSA-N 277.323 3.730 0 40 CHAB CC(=O)c1cc(Br)ccc1OC(F)(F)F 146806336 FCJLJYCDCPQXQW-UHFFFAOYSA-N 283.043 3.550 0 40 CHAB Cc1ccc(C)c(C(=O)c2c(F)cc(F)cc2F)c1 37358875 MKEVXPAQNKEOOV-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB CC(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 103480 MTNRNDDKBCMBDI-UHFFFAOYSA-N 296.326 3.776 0 40 CHAB c1ccc(-c2ccc(Nc3ncnc4[nH]ncc34)cc2)cc1 18167430 NARCBBIIPUDJIE-UHFFFAOYSA-N 287.326 3.764 0 40 CHAB O=C([C@H]1CCOC1)N1CCC[C@@H]1c1cccc2ccccc12 71834714 KLUXZOJIVMEHPP-MAUKXSAKSA-N 295.382 3.540 0 40 CHAB Cc1nc2c(c(-c3ccccc3)c1N)C(=O)CC(C)(C)C2 3863613 CUTYDLAYFUMSAC-UHFFFAOYSA-N 280.371 3.794 0 40 CHAB biogenic C[C@@](O)(c1ccccc1)[C@H](c1ccccc1)[C@@H]1CCCCN1 4783480 KDFJCXJFHLCCRU-XUVXKRRUSA-N 295.426 3.820 0 40 CHAB CCOc1ccc(NC(=O)CCc2ccc(CC)o2)cc1 543950 DBTLREPCUFOZLT-UHFFFAOYSA-N 287.359 3.812 0 40 CHAB Nc1nc(CSc2nc3ccccc3s2)cs1 3198019 YLJYAXGGCACYNE-UHFFFAOYSA-N 279.415 3.627 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccco2)on1 25586004 GJRVKIBQJYBANS-NSHDSACASA-N 294.310 3.526 0 40 CHAB Cc1c(C(=O)Nc2ccncc2)sc2cccc(F)c12 12534362 JAEVLFYVKJEPRD-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB c1ccc(Nc2nnc(-c3ccccc3)s2)cc1 26439477 OBDULOLVDJHSJL-UHFFFAOYSA-N 253.330 3.949 0 40 CHAB in-vitro CC(C)CNC(=O)c1cc2c(ccc3ccccc32)o1 113940255 IECSPJQEIHJROI-UHFFFAOYSA-N 267.328 3.972 0 40 CHAB O=C(c1cccc(F)c1)N1CCC(Nc2ccccc2)CC1 48292140 IYUWZCAPKBFEOU-UHFFFAOYSA-N 298.361 3.542 0 40 CHAB CC(=O)Nc1ccc(OCc2cccc3cccnc23)cc1 11293471 UEFKQQHVMNTIDP-UHFFFAOYSA-N 292.338 3.772 0 40 CHAB COc1ccc(NC(=O)/C=C/c2cccc(C)c2)cc1 12919702 ITSRFZVTWHIGNA-IZZDOVSWSA-N 267.328 3.656 0 40 CHAB COc1ccc(NC(=O)C2=C(Cl)CCCC2)c(OC)c1 8754259 IUSYGFXLDKGCRF-UHFFFAOYSA-N 295.766 3.709 0 40 CHAB N=C(COc1ccc(Cl)cc1)NCCc1ccccc1 4015682 QLRKZHPGPHBDIY-UHFFFAOYSA-N 288.778 3.528 0 40 CHAB CCCCNC(=O)c1cc2c(s1)-c1ccccc1OC2 5050323 JADXAVDLHPHCBD-UHFFFAOYSA-N 287.384 3.837 0 40 CHAB CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5171861 IZHWXRDNUORWSL-UHFFFAOYSA-N 296.757 3.915 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccccc1OC 4666163 AUQMFBHDGMPFQQ-ZDUSSCGKSA-N 263.381 3.641 0 40 CHAB C[C@H]1CCCC[C@@H]1NC1=NN=C(c2ccccc2)CS1 6932536 OZHGISCQMWQCGM-JSGCOSHPSA-N 287.432 3.662 0 40 CHAB Cc1nc2cc(NC(=O)c3ccc(F)cc3)ccc2o1 7036581 IPCNEBAHTLTRED-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB CCCCSCc1csc(-c2cnn(C)c2)n1 80060044 QDSIZVZMGJDDGX-UHFFFAOYSA-N 267.423 3.577 0 40 CHAB Cc1cc(-c2ccc3c(c2)NC(=O)CO3)nc2ccccc12 15453994 ZQKCYVUZZAWUMO-UHFFFAOYSA-N 290.322 3.541 0 40 CHAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)c(F)c1 15604703 IVEXOVBNQREWNT-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)s1 7885890 LVZINEAVNAUMCT-OAHLLOKOSA-N 284.384 3.785 0 40 CHAB CN1CCN(Cc2ccccc2Sc2ccccc2)CC1 19802183 OEBSPMCYVVRUNV-UHFFFAOYSA-N 298.455 3.585 0 40 CHAB Clc1cccc(Cl)c1COC[C@H]1CCCNC1 28521997 SEHFRHBSVAZJOJ-JTQLQIEISA-N 274.191 3.510 0 40 CHAB CC[C@@H](C)n1cc(Cl)c(COCCC(F)(F)F)n1 408716030 IDWAFTHXZTYTHH-MRVPVSSYSA-N 284.709 3.977 0 40 CHAB O[C@H](c1ccc(Br)cc1)C1CCCC1 32108447 DXVNEJUGPLMNAI-LBPRGKRZSA-N 255.155 3.673 0 40 CHAB O=CN1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217634 TWVJBOUBEXYDKK-MRXNPFEDSA-N 298.411 3.916 0 40 CHAB CC(C)N1CCCC[C@H]1c1cccnc1NC1CCC1 72213919 JEQSLBQJRUUSGE-INIZCTEOSA-N 273.424 3.981 0 40 CHAB CSc1ccc([C@H]2CC(O)=Nc3nc(N)sc32)cc1 32089088 XNONBGZWZZCNJU-SECBINFHSA-N 291.401 3.571 0 40 CHAB COc1ccc2[nH]cc(C(=O)c3ccc(C)cc3)c2c1 37364281 SLRZOKKADPYRHH-UHFFFAOYSA-N 265.312 3.716 0 40 CHAB NC(=S)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 73634125 CPNFVEJIFHLEKE-UHFFFAOYSA-N 288.759 3.782 0 40 CHAB CCOC(=O)c1ccc(Nc2ccc(CC)cc2)c(N)c1 41081893 RDWZEWWRKJUTTG-UHFFFAOYSA-N 284.359 3.752 0 40 CHAB CCNCc1cc(C)n(Cc2ccccc2C)c1C 223662041 JBIIODHREIMYBM-UHFFFAOYSA-N 256.393 3.571 0 40 CHAB Cc1ccccc1CNC(=O)Nc1ccccc1Cl 44845578 WQMIJMCCRVGRQZ-UHFFFAOYSA-N 274.751 3.970 0 40 CHAB COc1nc(C(F)(F)F)ccc1-c1ccccc1F 47204813 CCKVXAUOTVZHSU-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB CCCOC(=O)c1ccc(Nc2ccc(C)cc2)c(N)c1 225417357 SJSXCBPXHJXQOI-UHFFFAOYSA-N 284.359 3.888 0 40 CHAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)nc(C)n3C)c1 225893730 TYZOBWFZBNKCFU-UHFFFAOYSA-N 293.370 3.751 0 40 CHAB CC[C@H](NCc1ncccc1C)c1cc(F)ccc1F 95422104 UXODBSHPAQCMRA-HNNXBMFYSA-N 276.330 3.909 0 40 CHAB Clc1ncncc1Oc1ccccc1Br 685936234 LYCUJNXBUCWGEO-UHFFFAOYSA-N 285.528 3.685 0 40 CHAB Cc1nc(NCc2ccccn2)c2c(C)c(C)sc2n1 223237 VTGVCMJMAKSPJN-UHFFFAOYSA-N 284.388 3.624 0 40 CHAB Cc1cc(C)nc(NC(=S)N[C@H](C)c2ccccc2)c1 13837843 IZGVLZIOMNTUSP-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB NC(=S)N1N=C2CCCCCC[C@H]2[C@H]1c1ccccc1 17213712 LZUFXUCJBCSOMY-UKRRQHHQSA-N 287.432 3.613 0 40 CHAB CCOC(=O)c1nc(Nc2ccc(C)cc2)sc1C 161599234 ZNWLESGAKLZQOX-UHFFFAOYSA-N 276.361 3.680 0 40 CHAB CCc1ccccc1NC(=O)COc1ccc2c(c1)CCC2 3609807 SHTXKUGJCAZPGB-UHFFFAOYSA-N 295.382 3.755 0 40 CHAB CC(C)CCNC(=O)[C@H](C)Oc1ccccc1C(C)C 30849637 HLEHWEXDUNJLOW-AWEZNQCLSA-N 277.408 3.740 0 40 CHAB COc1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 4088445 BFEQZSKXYDCLFO-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3snnc3c2)cc1 5152127 XIHFTFOJPVLUGX-UHFFFAOYSA-N 284.344 3.644 0 40 CHAB C[C@@H]1CCc2c(sc3c2[C@@H](c2ccncc2)CC(=O)N3)C1 15085218 QOAWQQMAPPNTDG-ZWNOBZJWSA-N 298.411 3.742 0 40 CHAB Cc1ccccc1C(=O)NCc1cncc(-c2ccoc2)c1 575620245 LEQZNAPSRGRPMJ-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB COc1ccc2oc(=O)c(-c3ccc(F)cc3)cc2c1 12371485 DIIPKTTXXMDJGL-UHFFFAOYSA-N 270.259 3.608 0 40 CHAB biogenic,in-vitro O=C(/C=C/c1ccc(OC(F)F)cc1)OCc1ccco1 6552152 KCNDOIIAKVCKMK-VMPITWQZSA-N 294.253 3.638 0 40 CHAB NNc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 546335 FJJSQIUPILXYQS-UHFFFAOYSA-N 296.399 3.523 0 40 CHAB aggregator CC(C)c1nccn1Cc1cccc(NC(=O)C2CCC2)c1 54011129 HGFJSMZJVYUWSR-UHFFFAOYSA-N 297.402 3.793 0 40 CHAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)s1 104810835 RELNPVHRGMKICG-SAXRGWBVSA-N 277.433 3.919 0 40 CHAB CCn1c(-c2ccc(N)c(O)c2)nc2cccc(Cl)c21 37600154 PHUASJIDXPTTJO-UHFFFAOYSA-N 287.750 3.664 0 40 CHAB in-vitro FC(F)(Cl)Oc1ccccc1Br 34173900 ZGTMKMZVSXXTBZ-UHFFFAOYSA-N 257.461 3.617 0 40 CHAB Cc1cccc(N[C@H](C(=O)NC2CC2)c2ccccc2)c1C 12564032 GNWQGSXZLHPAAN-SFHVURJKSA-N 294.398 3.735 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 12506531 PAFLOWUSZZAYRC-GFCCVEGCSA-N 294.358 3.754 0 40 CHAB Cc1cccc(C(=O)N2CCCSc3ccccc32)n1 24750345 PAJLRCTYGOHPEQ-UHFFFAOYSA-N 284.384 3.533 0 40 CHAB CC(C)c1ccc(C(=O)[C@@H](C)Sc2nccn2C)cc1 76040291 LQBQUMSTAGTBJQ-GFCCVEGCSA-N 288.416 3.907 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1ccccc1Cl 1466472 IZQJCOBZRPQHEG-LLVKDONJSA-N 251.757 3.745 0 40 CHAB Clc1ccccc1OCc1noc(-c2ccccc2)n1 35957515 KPFLWTVNRQPMOX-UHFFFAOYSA-N 286.718 3.969 0 40 CHAB O=C(c1c2c(nc3ccccc13)CCC2)N1CCCCCC1 36694941 COLYYMPCBJTZNG-UHFFFAOYSA-N 294.398 3.740 0 40 CHAB Cc1cc(C)c(NS(=O)(=O)c2ccccc2F)c(C)c1 3581254 ANAWJRNOCHPUPH-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Cc1ccc(CN2C(=O)[C@@H](C)Oc3ccccc32)c(C)c1 4108695 PYSSFSSSSNHWMB-CQSZACIVSA-N 281.355 3.618 0 40 CHAB Cn1c(SCCOc2ccccc2)nc2ccccc21 6649106 SPGBDYNLGDJXSO-UHFFFAOYSA-N 284.384 3.744 0 40 CHAB Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)cnn1C 28229824 UOZXSDLZPVLXRN-UHFFFAOYSA-N 291.354 3.648 0 40 CHAB CSc1ncccc1C(=O)Nc1cccc2c1CCCC2 15302798 YUBUJAXVBNZGMS-UHFFFAOYSA-N 298.411 3.935 0 40 CHAB CCc1cc(C(=O)Nc2nc(C)cs2)sc1C 7039103 ADPFVHIQQWNBBD-UHFFFAOYSA-N 266.391 3.636 0 40 CHAB Cc1ccc(C)c(N[C@H](C)C(=O)Nc2nc(C)cs2)c1 7460136 HZASKQCUUIEEGK-GFCCVEGCSA-N 289.404 3.507 0 40 CHAB O=C(/C=C/c1ccc(F)c(Cl)c1)NC1CCCCC1 7609016 IBOGZAZZGXXGNJ-VQHVLOKHSA-N 281.758 3.941 0 40 CHAB CC(C)(C)c1ccccc1OCCNCc1cccnc1 19737638 BRYLMYUZWFQJSX-UHFFFAOYSA-N 284.403 3.548 0 40 CHAB C[C@H](O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8156631 UIRDSUDKDASSAX-LBPRGKRZSA-N 282.318 3.732 0 40 CHAB Cc1ccnc(NC(=O)Cc2cccc3ccccc23)c1 9365179 CJSJCUPOFBAROI-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB Cc1nc(CN2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)oc1C 95455785 HTCQZYJMNAHINT-JQWIXIFHSA-N 288.366 3.938 0 40 CHAB CCCOc1ccccc1NC(=O)[C@H](OC)c1ccccc1 95436645 WOUJSCRQPBDCIE-QGZVFWFLSA-N 299.370 3.802 0 40 CHAB CCC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 22623937 OOUHLDCXJMWTPU-JTQLQIEISA-N 292.766 3.913 0 40 CHAB CC(C)(C)SCCOC(=O)Cc1ccc(F)cc1F 89694526 XSMCCMOHMUDJGO-UHFFFAOYSA-N 288.359 3.582 0 40 CHAB Fc1cccc(CN2CCC[C@H](NCc3ccccc3)C2)c1 89836539 UFIWXOGYHJVQIE-IBGZPJMESA-N 298.405 3.580 0 40 CHAB CCCN1C(=O)S/C(=C\c2cc(C)n(CC)c2C)C1=O 409105145 JIXWVGKPUSZAID-LCYFTJDESA-N 292.404 3.571 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 21991689 ZXSWTMLNIIZPET-KZYORJDKSA-N 288.431 3.879 0 40 CHAB c1cc([C@@H]2CCCN2C2CCCCC2)nc(-n2ccnc2)c1 72378718 YAYSPXXMOLNEMO-KRWDZBQOSA-N 296.418 3.737 0 40 CHAB Fc1ccc(CSc2nsc(Cl)n2)cc1 71980745 FKKGJVOEPHGTQJ-UHFFFAOYSA-N 260.746 3.623 0 40 CHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccnc2)c1 45675321 FFMZHUCHERSJQP-AWEZNQCLSA-N 298.386 3.919 0 40 CHAB COc1ccc(C)cc1-c1csc(Br)n1 41458040 XFBITZBMGANBPD-UHFFFAOYSA-N 284.178 3.890 0 40 CHAB Fc1ccc(-c2nc3ncccc3o2)cc1Br 82586919 HJSCEIJWMSRGMS-UHFFFAOYSA-N 293.095 3.791 0 40 CHAB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2)cc1 44886083 XBZSLIDQLQTAPN-VOMSXAGXSA-N 265.356 3.886 0 40 CHAB Clc1ccccc1-c1nc2cc(-n3cnnc3)ccc2o1 45920377 KBAVZLVHFUQOIC-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB CC[C@@H](C(=O)O)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223198497 HFEZZAMITOHSKB-AAEUAGOBSA-N 291.391 3.651 0 40 CHAB CC[C@H](C)n1c(CCc2ccccc2)ccc1C(=O)O 226028512 ZLXMRKWQBBGSQZ-ZDUSSCGKSA-N 271.360 3.943 0 40 CHAB c1ccc(COc2cccc(-c3cc[nH]n3)c2)cc1 98113841 XAXRJHOZFRYHTK-UHFFFAOYSA-N 250.301 3.656 0 40 CHAB CCC1CCC(N(C(=O)CC(C)C)C2CC2)CC1 97167290 ZJZDPXICYGWBCQ-UHFFFAOYSA-N 251.414 3.992 0 40 CHAB O=Cc1ccc(OCc2cccc(Cl)c2)c(F)c1 95738867 RKQXESHYGGYRAT-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB CC[C@H](C)Oc1ccccc1[C@H](C)NC[C@H]1CCCO1 260571627 AEGZFYICSOOIQG-SOUVJXGZSA-N 277.408 3.694 0 40 CHAB COc1cccc(F)c1C(=O)c1cc(C)cc(F)c1 89064263 SGQMIZGCPBLBDT-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB CN(CCc1ccccn1)c1ccc(Br)cc1 95915770 LIABEQNGZHASPQ-UHFFFAOYSA-N 291.192 3.523 0 40 CHAB Cc1cc(F)ccc1C(=O)COCc1ccccc1 394748969 KXYRUPJPFVNJFI-UHFFFAOYSA-N 258.292 3.534 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1 15517535 HPYMVBVASQHHLA-UHFFFAOYSA-N 271.291 3.589 0 40 CHAB O[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccc(F)cc1 1615140493 NVEZULXJGPNQKI-ROUUACIJSA-N 291.410 3.526 0 40 CHAB O=C(O)c1cc2cc(F)cc(Br)c2s1 221034157 GARDGKTXEQZZNP-UHFFFAOYSA-N 275.098 3.501 0 40 CHAB CCCNCc1ccc(OCc2cccs2)c(OC)c1 6430911 SLPJJSPSDMBMPM-UHFFFAOYSA-N 291.416 3.835 0 40 CHAB Cc1cccc(/C=C/C(=O)OCc2nc3ccccc3o2)c1 8401298 PRKZDDFKQMEXKD-MDZDMXLPSA-N 293.322 3.893 0 40 CHAB C[C@H](NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 9154606 PQNDAWYFBRSWNF-VIFPVBQESA-N 283.249 3.789 0 40 CHAB Fc1ccccc1CCNc1nc2ccccc2o1 29347052 CYDHCCHPEVLTMH-UHFFFAOYSA-N 256.280 3.622 0 40 CHAB CN(Cc1ccc(Cl)cc1)C[C@H](O)c1ccc(F)cc1 66346893 IYDGQGREERQQOM-INIZCTEOSA-N 293.769 3.645 0 40 CHAB CC(C)c1ccc2cc(C(=O)NCC(F)(F)F)[nH]c2c1 40070215 UDFUIYMWFCWLPK-UHFFFAOYSA-N 284.281 3.583 0 40 CHAB CSc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 20017269 IZMTXBCBBBVBKV-HNNXBMFYSA-N 292.492 3.763 0 40 CHAB CC(=O)Oc1ccc2occ(C(=O)c3ccc(F)cc3)c2c1 97657 QYJOYZGGJALODU-UHFFFAOYSA-N 298.269 3.728 0 40 CHAB O=C(Nc1ccccc1)Oc1ccc(-c2csnn2)cc1 106878 ZTYVGGRFSBVKFN-UHFFFAOYSA-N 297.339 3.816 0 40 CHAB O=C(Nc1ccc(Cl)cc1)C1SCSCS1 114505 DMJBSYIEKMADSY-UHFFFAOYSA-N 291.850 3.733 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2cccc(C)c2)cc1 258765 MRPPNWQFQKRABB-DHZHZOJOSA-N 267.328 3.656 0 40 CHAB biogenic Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2C)c1 532337 KWFXLXOSTIROFV-UHFFFAOYSA-N 299.399 3.984 0 40 CHAB COc1cc(C(C)(C)C)cc(OC)c1Br 1574128 IDONGUSIYHTCBL-UHFFFAOYSA-N 273.170 3.764 0 40 CHAB COc1ccc(-c2c(C)oc(C)c2C(C)=O)cc1OC 1608094 QNVRKFXOROAKFZ-UHFFFAOYSA-N 274.316 3.783 0 40 CHAB CCOC(=O)CCCCC(=O)c1cc(C)c(OC)c(C)c1 2378862 VANWJYJPEQRGHD-UHFFFAOYSA-N 292.375 3.618 0 40 CHAB CCCCOc1ccc(CSc2nc(CC)n[nH]2)cc1 2501729 SZZLHDJCBQXUSY-UHFFFAOYSA-N 291.420 3.838 0 40 CHAB COc1ccc(C(=O)CCc2ccc(F)cc2)cc1 2517373 RZSZPMGLWZECGV-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB CCOc1ncccc1C(=O)Nc1c(C)cccc1CC 3426952 MCXBQGHGPJBOSB-UHFFFAOYSA-N 284.359 3.603 0 40 CHAB C[C@@H]1[C@@H](O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 4375818 FAHFBUDMUKEFDS-OAOYMFHYSA-N 281.399 3.802 0 40 CHAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccco3)C(=O)O2)cc1 4472036 PAIBXWOFZBTRKG-PTNGSMBKSA-N 295.338 3.922 0 40 CHAB CN(C)C(=S)Oc1cc(Cl)c(Cl)cc1Cl 5064761 ZWFKQRFVGDPXHN-UHFFFAOYSA-N 284.595 3.872 0 40 CHAB CCCOc1ccccc1NC(=O)Cc1ccc(OC)cc1 5512555 WSVWRSUIPPMTKZ-UHFFFAOYSA-N 299.370 3.665 0 40 CHAB COc1cc(C(=O)Nc2ccc(C)cc2C)ccc1C 7070283 SIBGSOIFPGWXCN-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB O=C1C[C@@H](c2cccs2)c2c(-c3ccccc3)n[nH]c2N1 9014536 ZPHXCSYRUUSYDE-NSHDSACASA-N 295.367 3.612 0 40 CHAB CC[C@@H](Oc1cccc(C(C)=O)c1)C(=O)Nc1ccccc1 9154872 LGBWHFAWFOIHDZ-QGZVFWFLSA-N 297.354 3.685 0 40 CHAB Cc1ccc(-c2csc(NC(=O)C3CCC3)n2)s1 9337770 DVRXYZSGTLAJAA-UHFFFAOYSA-N 278.402 3.919 0 40 CHAB c1ccc(CSc2nnc3sc4ccccc4n23)nc1 9379291 GBTKQPZHTFJRTR-UHFFFAOYSA-N 298.396 3.631 0 40 CHAB Cc1[nH]c2ccc(C(=O)N[C@H](C)c3ccncc3)cc2c1C 12527963 NAXOMRZGBYNEJZ-CYBMUJFWSA-N 293.370 3.671 0 40 CHAB CCOC(=O)c1cccc(NC(=O)c2cc(C)cc(C)c2)c1 14291394 YMJDLOCPZHVWIU-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB Cc1ccc(Nc2nc(C)c(CCC(C)C)c(=O)[nH]2)cc1 18222926 ZKCFFNGKQYWOFP-UHFFFAOYSA-N 285.391 3.719 0 40 CHAB COc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1F 19312125 PTLOEQUORDIUML-LBPRGKRZSA-N 287.334 3.634 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2)cc1 20036933 CCYSIZQSCGQUOE-GFCCVEGCSA-N 257.308 3.625 0 40 CHAB Nc1ccc2oc(-c3ccc(F)c(Cl)c3)nc2c1 20436570 AWKCFXXSXSWZMB-UHFFFAOYSA-N 262.671 3.870 0 40 CHAB C[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(F)cc1 22538114 NRUDFPOHHUPBGQ-VIFPVBQESA-N 279.261 3.595 0 40 CHAB CCN(C(=O)c1ccoc1C)c1nc2ccccc2s1 23042177 YYTGRKLFELKVCE-UHFFFAOYSA-N 286.356 3.864 0 40 CHAB CCOC(=O)c1ccc(Oc2ncnc3ccccc23)cc1 24057682 XCZUCKSETXGOGM-UHFFFAOYSA-N 294.310 3.599 0 40 CHAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCCC2 24176719 RARPTLNPGOWSTJ-UHFFFAOYSA-N 269.319 3.957 0 40 CHAB C[C@]12CC=CC[C@H]1C(=O)N(c1ccc3ccccc3c1)C2=O 26503923 SPYMKGMPCKEOLN-LPHOPBHVSA-N 291.350 3.686 0 40 CHAB CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCc2ccccc21 27823148 AXDYJRUSMZWOFV-GOSISDBHSA-N 290.366 3.927 0 40 CHAB Cc1cc(NC(=O)c2ccccc2F)n(C2CCCC2)n1 32609975 MJWVUGONDMWMLG-UHFFFAOYSA-N 287.338 3.698 0 40 CHAB O=C(Nc1ccccc1Br)OCC(F)(F)F 32628894 MSKRHQHAMNKPFG-UHFFFAOYSA-N 298.058 3.560 0 40 CHAB in-vitro Cc1ccc(Cl)c(OCC[C@@H]2CCCCN2)c1 42772372 VEWSQFRLEQRDEJ-LBPRGKRZSA-N 253.773 3.559 0 40 CHAB CN(Cc1noc(C(C)(C)C)n1)[C@H]1CCCc2ccccc21 45810393 CEGAUDFRKUDKTH-HNNXBMFYSA-N 299.418 3.877 0 40 CHAB S=C(NCCSC1CCCC1)Nc1ccccc1 46417204 NMDOMMZTLMKATF-UHFFFAOYSA-N 280.462 3.649 0 40 CHAB CCCNC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 61550588 RYWBCKIRKWHKSD-UHFFFAOYSA-N 289.310 3.545 0 40 CHAB Cc1noc(C)c1COC(=O)c1sccc1C1CC1 64125881 NNCUJIRIMIZYPB-UHFFFAOYSA-N 277.345 3.587 0 40 CHAB CC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1cccs1)(C3)C2 65090471 SZQKRTAOHLGCSY-RJAIZQQDSA-N 275.417 3.837 0 40 CHAB Cc1ccc(C)c(C(=O)NCCSC(C)(C)C)c1 66739187 OQDVWUHJQDKDSZ-UHFFFAOYSA-N 265.422 3.565 0 40 CHAB O=C(O)[C@H]1C[C@H]1c1ccc(-c2cccc(Cl)c2)o1 70453038 YBTNQUVYWRSSOW-MNOVXSKESA-N 262.692 3.788 0 40 CHAB Cc1nc(-c2cc(C)c(C)cc2C)c(CC(=O)O)s1 85397373 GMBBSAXWVJAYLP-UHFFFAOYSA-N 275.373 3.671 0 40 CHAB C[C@@H](c1ccccn1)N(C)Cc1cc(-c2cccs2)on1 95977301 JTKHBJQDGQQRHQ-LBPRGKRZSA-N 299.399 3.991 0 40 CHAB COc1ccccc1NC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101012849 KSASYBXWKGARSH-AAVRWANBSA-N 288.391 3.641 0 40 CHAB O=C(c1cccc(OC(F)F)c1)N1CCC[C@@H]1C1CCC1 102874931 PMMNPNVWZFLVBW-CQSZACIVSA-N 295.329 3.693 0 40 CHAB CCOc1cccc([C@@H]2CC(=O)c3ccccc3N2)c1 169972098 VRBDIXPAUOYDHF-INIZCTEOSA-N 267.328 3.825 0 40 CHAB CCOC(=O)c1ncc(-c2ccccc2Cl)s1 199567302 QVKUTXCBMFCQAJ-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB CCCN(CCCC(=O)O)c1c(C)cc(C)cc1C 225006086 PWMIGRKYNHBQHS-UHFFFAOYSA-N 263.381 3.693 0 40 CHAB CCc1ccccc1C[C@H](Oc1ccc(C)c(C)c1)C(=O)O 225040905 FGTQQGJYXLDDEW-SFHVURJKSA-N 298.382 3.941 0 40 CHAB Cc1cccc(CCCNC(=S)Nc2cc(C)ccn2)c1 225394210 VJQPTCDINBQDFN-UHFFFAOYSA-N 299.443 3.618 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCc1ccccc1)[C@@H]2OC=O 227064340 RLHWKPHEDMEOHF-DFGXFYAUSA-N 288.387 3.570 0 40 CHAB CC(C)(C)OC(=O)N1CC[C@H](Cc2ccnc(Cl)c2)C1 257247278 IYGYLCMKCHFTFK-GFCCVEGCSA-N 296.798 3.535 0 40 CHAB COc1ccc(Cl)c(C(=O)C(F)(F)C(F)(F)F)c1 575243006 RTXBYEZYSXRQHV-UHFFFAOYSA-N 288.599 3.729 0 40 CHAB OCc1cc(-c2ccccc2)nc2ccc(F)cc12 685937429 PJHXODIMRGKQAB-UHFFFAOYSA-N 253.276 3.533 0 40 CHAB O=C(C1CCCCC1)N1CC[C@H](c2cccs2)C1 827907444 XLKFZVMQDYUXHF-ZDUSSCGKSA-N 263.406 3.644 0 40 CHAB Cc1ccc(C2=NN[C@@H](c3cccs3)S2)cc1 133940 LQUNXKXNCZZVFV-CYBMUJFWSA-N 260.387 3.753 0 40 CHAB Cc1ccsc1-c1nnc(SC[C@@H]2CCCCO2)o1 69808407 GMONNPUIOLNYTR-JTQLQIEISA-N 296.417 3.768 0 40 CHAB Cc1cc(C)cc(N[C@H](C(=O)O)c2cccs2)c1 4244779 VRDPJSBFEWPVRJ-ZDUSSCGKSA-N 261.346 3.603 0 40 CHAB C[C@]12CC[C@H]3c4cc(O)ccc4CC[C@@H]3[C@@H]1CC[C@@H]2O 4769223 YEOSPIFUAAHCPK-SRIISGBFSA-N 272.388 3.609 0 40 CHAB CCN(CC)CCSc1nc2ccccc2cc1C 4929930 NKUYHZQXDPGCAT-UHFFFAOYSA-N 274.433 3.977 0 40 CHAB c1ccc2oc(CN3CCC[C@H]4CCCC[C@@H]43)nc2c1 52660916 KSVLOICKWMICNZ-HIFRSBDPSA-N 270.376 3.982 0 40 CHAB CCCCCCNC(=S)N1[C@H](C)CCC[C@H]1C 6264047 IKRWSBXPDGJIMJ-CHWSQXEVSA-N 256.459 3.704 0 40 CHAB Cc1cc(C)c(N2C(=O)c3ccc(F)cc3C2=O)c(C)c1 482992 FNTDHOUOOIVXCM-UHFFFAOYSA-N 283.302 3.552 0 40 CHAB CCCC[C@@H]1OC[C@]2(COC(C)=O)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 105363670 PTOBLQWYQHCBCQ-KVDVXYDOSA-N 294.435 3.973 0 40 CHAB biogenic CCN(C[C@H]1CCOC1)C(=O)Nc1cccc2ccccc12 47332142 KBTAGTPFJLZZSY-CQSZACIVSA-N 298.386 3.730 0 40 CHAB COc1c(C)cccc1C(=O)Nc1cccc(Cl)c1 9141603 LYZPTWKPFXPZMH-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB c1ccc(-c2[nH]c3ccccc3c2CN2CCOCC2)cc1 23761727 VQWYWMWNCUXGDQ-UHFFFAOYSA-N 292.382 3.667 0 40 CHAB Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)nc(C)n1 1388250 KVWGWLYVGGZBSZ-UHFFFAOYSA-N 297.141 3.619 0 40 CHAB CCCCOC(=O)Nc1ccc(C(=O)OC(C)C)cc1 1770665 YEKJCJMJFAUOCS-UHFFFAOYSA-N 279.336 3.600 0 40 CHAB C[C@H](N[C@H](C)c1nc2ccccc2o1)c1ccncc1 97084001 OSYBLPZJSQETPO-NWDGAFQWSA-N 267.332 3.635 0 40 CHAB O=C(Nc1ccnn1C1CCCC1)c1ccc(Cl)cc1 27664187 FAHXNOJSZLWBGF-UHFFFAOYSA-N 289.766 3.904 0 40 CHAB CCOC(=O)[C@@]1(c2ccsc2)C=C1c1ccccc1 26897550 VUGQIOQTWQOMBC-MRXNPFEDSA-N 270.353 3.646 0 40 CHAB Fc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2ncnn21 2228193 QPLJPNAYDGEKKK-JKSUJKDBSA-N 294.333 3.564 0 40 CHAB O=C(NCc1ccc(F)cc1)c1cc2ccccc2cc1O 12796060 IQZDOPBBFWDKJG-UHFFFAOYSA-N 295.313 3.615 0 40 CHAB Cc1ccc(N[C@@H](C)C(=O)NC2CCCCCC2)c(C)c1 28744449 KAMTZCMWSXLPGK-HNNXBMFYSA-N 288.435 3.943 0 40 CHAB O=C(O)CCCCC(=O)c1cc(Cl)ccc1Cl 2579930 JODYYXOXZXMYIF-UHFFFAOYSA-N 275.131 3.821 0 40 CHAB N=C(N)Sc1c(-c2ccccc2)[nH]c2ccccc12 3866114 IYXKHTSVRKAEIO-UHFFFAOYSA-N 267.357 3.820 0 40 CHAB Cc1ccccc1CNC(=O)c1ccccc1OC(F)F 18831595 YSEYQPRYKFKGOP-UHFFFAOYSA-N 291.297 3.526 0 40 CHAB C[C@H](NC(=O)c1ccoc1)c1ccc2ccccc2c1 8945957 ALKCMIIXIUIDRW-LBPRGKRZSA-N 265.312 3.924 0 40 CHAB Cc1cccc(-c2c(N)oc3c(C)cccc3c2=O)c1 6764518 BZQCXTMDCRWTTP-UHFFFAOYSA-N 265.312 3.659 0 40 CHAB C[C@@H]1CCc2c(sc3c2[C@@H](c2cccnc2)CC(=O)N3)C1 15085268 NVIIEWXQZKANPW-ZWNOBZJWSA-N 298.411 3.742 0 40 CHAB C[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccco1 9256835 KMRYVAMLWLPPBT-ANYFNZRUSA-N 298.367 3.780 0 40 CHAB Cc1ccc(C)c(NC(=O)COc2ccc(F)c(F)c2)c1 7401243 IVGGVXRDWMZHFK-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB CCCCn1ncc(Br)c1CO[C@@H](C)CC 408715249 AEKOPSXARCAMAD-JTQLQIEISA-N 289.217 3.761 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1cc(Cl)ccn1 8129473 PEHAJFDCTXMTCO-AWEZNQCLSA-N 286.762 3.542 0 40 CHAB Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 8274605 IBLIEGXFPNQRJM-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=S)NCc2ccc(Cl)cc2)C1 17024187 DXOOMPKQYBPNOO-RYUDHWBXSA-N 296.867 3.692 0 40 CHAB C[C@@H](c1cccs1)N(C)C(=O)Nc1ccccc1 9544337 TZYBZMUVLJSFDT-NSHDSACASA-N 260.362 3.973 0 40 CHAB OCc1ccccc1NCc1cc(Cl)cc2cccnc12 95428607 OVUKTTXJCQHDIT-UHFFFAOYSA-N 298.773 3.993 0 40 CHAB Cc1cc(C)c([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1C 95968479 PBCFQAYEUNFVCA-LSDHHAIUSA-N 271.408 3.757 0 40 CHAB O=C(CNc1ccc(Cl)cc1)Nc1c(F)cccc1F 9995489 CECJGTNJPIUSFY-UHFFFAOYSA-N 296.704 3.669 0 40 CHAB CCSc1ccccc1NC(=O)Cc1ccccc1 20482923 CLIVJSDICFNHAY-UHFFFAOYSA-N 271.385 3.980 0 40 CHAB CCCCn1ncc(Br)c1COCC(C)C 408715289 AQQBLTZHJBIZHY-UHFFFAOYSA-N 289.217 3.618 0 40 CHAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 32764835 GBRCQZMQXSMHHR-UHFFFAOYSA-N 294.354 3.596 0 40 CHAB CC(C)Cn1cc(Cl)c(COCCC(F)(F)F)n1 408715640 CDKVJDZTQQMZOB-UHFFFAOYSA-N 284.709 3.662 0 40 CHAB C[C@H]1CCCN([C@@H](CN)c2cc(Cl)cc(Cl)c2)C1 37424745 FNAYOLSGFCLSAS-HZMBPMFUSA-N 287.234 3.725 0 40 CHAB CC(C)(C(=O)O)[C@@H](c1ccccc1)[C@@H]1CCCCC1=O 3850128 AJVFOGGGBHLTOF-HIFRSBDPSA-N 274.360 3.640 0 40 CHAB biogenic O=CN1CCCC[C@@H]1c1cccnc1Sc1ccccc1 72217694 XQDQVDRCIPLOBW-MRXNPFEDSA-N 298.411 3.916 0 40 CHAB Cc1ccc(C)c2sc(NC[C@H]3CCCO3)nc12 38575638 UAZBZVDVOWMBIF-LLVKDONJSA-N 262.378 3.504 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1F)c1ccc(F)cc1 32538636 AWYFTDXDPPXFGR-GFCCVEGCSA-N 289.325 3.775 0 40 CHAB COc1cccc(OC)c1OCc1cccc2cccnc12 32865607 HPALOVXEYFZCJY-UHFFFAOYSA-N 295.338 3.831 0 40 CHAB O=C(COc1ccccc1)c1sccc1Br 37347595 LRCBJUPXTLLSAM-UHFFFAOYSA-N 297.173 3.772 0 40 CHAB N[C@@H](c1ccc(Br)c(Cl)c1)C(F)(F)F 72195872 CHIMNVFWGSKQBL-ZETCQYMHSA-N 288.494 3.665 0 40 CHAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccccc1 225462059 MHGCDVCJIVZQEE-UHFFFAOYSA-N 270.332 3.578 0 40 CHAB CCCCn1nc(C)c(CNCc2cc(C)oc2C)c1C 85395702 JOFQEOYEJAWLKU-UHFFFAOYSA-N 289.423 3.800 0 40 CHAB COC(=O)c1ccc(CCC(C)C)n1Cc1ccccc1 226025248 ZWMWHOWUUVZJLZ-UHFFFAOYSA-N 285.387 3.912 0 40 CHAB Cc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)cc1C 225033099 XFSLASCANXBQSY-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CCCN(CCC)C(=O)c1ccc2nc(Cl)oc2c1 225977827 UTMYGERCUUQGJD-UHFFFAOYSA-N 280.755 3.743 0 40 CHAB CCCOc1ccc(Br)c2cccnc12 225389804 FEBOMBPORWMYPD-UHFFFAOYSA-N 266.138 3.786 0 40 CHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)c2ccccc2)c1 85423539 MPLMXJDFMSJVFR-ZDUSSCGKSA-N 297.354 3.606 0 40 CHAB Nc1ccccc1SC[C@H]1CCCN2CCCC[C@H]12 98063912 MPRLHELMLFULGS-UKRRQHHQSA-N 276.449 3.625 0 40 CHAB Cc1c(-c2cccc(OC(F)(F)F)c2)sc2ncnn12 97758514 NONVPWQHAHKJLO-UHFFFAOYSA-N 299.277 3.665 0 40 CHAB CC(C)(C)SCCN[C@@H](c1nccs1)C1CC1 252490264 KNJWCLQVXXRIFK-LLVKDONJSA-N 270.467 3.716 0 40 CHAB Cc1ncc([C@@H](C)NCC(C)(C)CC2CCOCC2)s1 90419561 RTWSSSQPGQDVQC-GFCCVEGCSA-N 296.480 3.945 0 40 CHAB COc1ccc(Cl)cc1[C@@H](C)NCc1ncccc1C 95967775 JTQMNIOUTNQSAO-GFCCVEGCSA-N 290.794 3.903 0 40 CHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 15014119 CEYPEKMVWQDRSP-AOOOYVTPSA-N 298.169 3.673 0 40 CHAB CN(C)C[C@H]1CCCC[C@H]1OC(=O)c1ccc(Cl)cc1 3172188 ANDVCSYZBRZFJU-UKRRQHHQSA-N 295.810 3.617 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2cccs2)o1 32204985 QBMHUNCNDLRRIP-VSACJYGBSA-N 287.384 3.794 0 40 CHAB Cc1ccc(-c2nn(-c3ccccc3)c(N)c2C)cc1 37352350 OHNKTLDDQJTCQR-UHFFFAOYSA-N 263.344 3.738 0 40 CHAB CC[C@@H](C(=O)c1cccc(C(=O)OC)c1)c1ccccc1 575362462 NUNOUQSIBQCHIO-MRXNPFEDSA-N 282.339 3.850 0 40 CHAB O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccon1 20534635 RAGHBTMIUGIIFR-UHFFFAOYSA-N 272.091 3.625 0 40 CHAB CCOC(=O)c1c(N)sc(CC)c1-c1ccccc1 84943 ALOMQNZFZBYZOW-UHFFFAOYSA-N 275.373 3.736 0 40 CHAB O=C(Nc1ccc(Cl)cc1F)c1ccc(F)cc1 2648922 YVLVURLVQZUPEF-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB CCCC[C@@H](CC)[C@@H](O)P(=O)(OCC)OCC 1600144 LYZYTTBSSWSJDI-NEPJUHHUSA-N 266.318 3.787 0 40 CHAB CCOc1ccc2c(C)c(-c3ccc(O)cc3)c(=O)oc2c1 2573922 QTJLKOHPECLZFO-UHFFFAOYSA-N 296.322 3.873 0 40 CHAB Cc1ccc(OP(N)(=O)Oc2ccc(C)cc2)cc1 3177070 GQWYTULXMQRYTO-UHFFFAOYSA-N 277.260 3.828 0 40 CHAB CCCCOc1ccc(Nc2ncccc2C(=O)O)cc1 4217816 FYHNVXNVOIDMLC-UHFFFAOYSA-N 286.331 3.702 0 40 CHAB Fc1cccc(F)c1-c1noc(-c2cccs2)n1 426178 MMMILWQKRWXLJA-UHFFFAOYSA-N 264.256 3.743 0 40 CHAB O=C1O[C@@H](Nc2cccc(Cl)c2Cl)c2ccc#cc21 102813263 HCRTZKWMKIBUBT-CYBMUJFWSA-N 292.121 3.875 0 40 CHAB COc1cc2sc(NC(=O)C(C)(C)C)nc2cc1Cl 557620 VGTOJJGOEJSJMY-UHFFFAOYSA-N 298.795 3.943 0 40 CHAB Cc1ccc2c(=O)c(O)c(-c3ccc(F)cc3)oc2c1 12462627 BKDAOYAYNINOED-UHFFFAOYSA-N 270.259 3.613 0 40 CHAB biogenic,in-vitro Cc1cccc(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 23444631 CUKUTDCKXRFSKO-JKSUJKDBSA-N 297.398 3.682 0 40 CHAB C[C@@]12CC3CC(C(=O)NCc4ccccn4)(C1)C[C@@](C)(C3)C2 100799040 ZTPQSNVHTXWYAW-MJGSYPLASA-N 298.430 3.694 0 40 CHAB O=C(Nc1ccncc1)c1cccnc1Oc1ccccc1 24987665 GKPBGDGUCSOWMF-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB CSc1cccc(NC(=O)c2cccnc2SC)c1 3329772 PIPYFWBPXRFAEW-UHFFFAOYSA-N 290.413 3.778 0 40 CHAB CCOC(=O)CCCC(=O)c1cccc(C(F)(F)F)c1 2580324 VHEJHSFDYVEWJV-UHFFFAOYSA-N 288.265 3.622 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1cc2ccccc2[nH]1 8302822 PRMHSRAYFLCWPG-UHFFFAOYSA-N 268.291 3.868 0 40 CHAB c1ccc(-c2nnc(CCNC3CCCCCC3)o2)cc1 62653271 HHDVGEOAAHRLPB-UHFFFAOYSA-N 285.391 3.592 0 40 CHAB CC1CCC(NC(=O)Nc2ccc(F)cc2)CC1 6263606 RTBVIYGTPAUWMP-UHFFFAOYSA-N 250.317 3.526 0 40 CHAB COc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 65621186 OFULDELIJMZMNC-WBVHZDCISA-N 299.414 3.585 0 40 CHAB COc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1 4687663 RPIMIAFJCRZAFB-UHFFFAOYSA-N 294.354 3.597 0 40 CHAB Cc1cc(-c2cc(C(=O)O)c3c(C)noc3n2)c(C)s1 8155939 GYFFBITYMQOGDI-UHFFFAOYSA-N 288.328 3.575 0 40 CHAB CC[C@@H](C)[C@@H](C(=O)NCc1nccs1)c1ccccc1 96408383 ACYFJOLDPMOSDK-IUODEOHRSA-N 288.416 3.589 0 40 CHAB C[C@@H](SCc1cccc(F)c1)C(=O)NC1CCCC1 71818597 QAUDWXLVISWFFQ-LLVKDONJSA-N 281.396 3.506 0 40 CHAB O=C(Cc1ccccc1C(F)(F)F)Nc1cccc(O)c1 95431568 JCNYZCHPCOCXKH-UHFFFAOYSA-N 295.260 3.592 0 40 CHAB c1ccc2[nH]c(CCCNCC3CCCCC3)nc2c1 62718679 KAJHBVDVAUOQLJ-UHFFFAOYSA-N 271.408 3.665 0 40 CHAB C[C@@]1(F)CCN(Cc2ccc(F)c(Br)c2)C1 501396678 VEPFMPRYWFGHGD-GFCCVEGCSA-N 290.151 3.522 0 40 CHAB CCCCCCN1CCN(CCCCCC)C1=O 34744663 DXEFPLCETNJQMI-UHFFFAOYSA-N 254.418 3.885 0 40 CHAB Cc1ccccc1-c1nnc(-c2c(C)nc3ccccn23)o1 216601426 ADSROTQIVRTZPI-UHFFFAOYSA-N 290.326 3.668 0 40 CHAB Cc1nc(COc2cccc(NC(=O)C(C)C)c2)cs1 76698183 GYJADOFDCVWGJN-UHFFFAOYSA-N 290.388 3.625 0 40 CHAB CC(C)COc1ccccc1[C@H](C)NC[C@H]1CCCO1 225162489 OKLWYSRAVNDOPU-LSDHHAIUSA-N 277.408 3.551 0 40 CHAB Cc1nc([C@@H]2CCCO2)sc1C(=O)Nc1ccccc1 136484853 SLPCEAZJCUBZFY-LBPRGKRZSA-N 288.372 3.555 0 40 CHAB Cc1ccc(C)c(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 225320117 XJQAVJKSOFJMHN-NFAWXSAZSA-N 274.433 3.778 0 40 CHAB CCc1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)cc1 85398376 WUJJFSQYTCZBFG-UHFFFAOYSA-N 280.327 3.579 0 40 CHAB O=C1Nc2ccccc2[C@@H]1Cc1cccc(OC(F)F)c1 40287489 CNIGXFLYSGRGTQ-ZDUSSCGKSA-N 289.281 3.566 0 40 CHAB Cc1ccoc1C(=O)NCc1ccccc1OC1CCCC1 46780535 RBPRSVLYQRCXOG-UHFFFAOYSA-N 299.370 3.839 0 40 CHAB CCc1c(-c2ccc(F)cc2)nn(Cc2ccccc2)c1N 199749928 ONDYCYMCHPSLEK-UHFFFAOYSA-N 295.361 3.882 0 40 CHAB CCCCO[C@H](Cc1cccc(Cl)c1Cl)C(=O)O 225084437 XKGHHBYNXBRIBF-LLVKDONJSA-N 291.174 3.806 0 40 CHAB CC(C)CCOc1ccc(C(=O)C(F)(F)F)cc1F 95740036 VPGWVJBWHPVHJT-UHFFFAOYSA-N 278.245 3.996 0 40 CHAB C[C@H](c1cccnc1)N(C)Cc1cc(-c2ccccc2)[nH]n1 97375267 VEJNUUUJDAAPQC-CQSZACIVSA-N 292.386 3.665 0 40 CHAB CCOc1cccc([C@H]2C[C@@H](O)c3ccccc3N2)c1 242548460 LMEXYBBRSGEAGV-IAGOWNOFSA-N 269.344 3.676 0 40 CHAB Cn1cccc1[C@@H](O)c1ccc(Oc2ccccc2)cc1 95727891 SPSGHKCEUPRSRZ-SFHVURJKSA-N 279.339 3.899 0 40 CHAB O=C(NC1CCCCC1)N1CCC[C@H]2CCCC[C@@H]21 16137823 RGFILLUHHRAWHK-HIFRSBDPSA-N 264.413 3.683 0 40 CHAB c1ccc2oc(N3CC[C@H](c4ccsc4)C3)nc2c1 1775970695 PWFPZPGIIXLTDO-NSHDSACASA-N 270.357 3.883 0 40 CHAB O=C1OC(c2cccc(F)c2)=N/C1=C\C=C\c1ccccc1 15262316 MCLGNCMEROEHPK-MAHQCVNESA-N 293.297 3.726 0 40 CHAB O=C(OCc1cccc(F)c1F)c1cc2ccccc2[nH]1 16666392 JDGOTHDLAOSFQS-UHFFFAOYSA-N 287.265 3.803 0 40 CHAB Cc1nc2cc(NC(=O)Nc3ccccc3)ccc2o1 18173802 IJDFBFYFPBWCNY-UHFFFAOYSA-N 267.288 3.780 0 40 CHAB NCc1ccc(NC(=O)c2cccc3ccccc23)cc1 19263219 HTMHOYPESLLYJM-UHFFFAOYSA-N 276.339 3.551 0 40 CHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1c1ccccc1 15554384 OLMHSWMRAMDWPC-KRWDZBQOSA-N 291.354 3.540 0 40 CHAB COc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 28924797 GPNBUYXFARTQBX-ZDUSSCGKSA-N 298.386 3.504 0 40 CHAB Cc1ccc(NCc2ccco2)cc1Br 32114324 UZMNSHKVNQNEFE-UHFFFAOYSA-N 266.138 3.963 0 40 CHAB CCCCC[C@@H]1OC[C@@]2(CO)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 12658039 KWAQTWWTBCDMPK-JSRQGNBESA-N 266.425 3.793 0 40 CHAB biogenic CC(=O)c1ccc(NC(=S)NC2CCCCCC2)cc1 13577423 ASSDMJWQZMDQJG-UHFFFAOYSA-N 290.432 3.898 0 40 CHAB CCCC(=O)N[C@H](C)c1nc2ccccc2n1CC(C)C 200869 BNMSMTYJYKEGRD-CYBMUJFWSA-N 287.407 3.670 0 40 CHAB Cc1ccccc1NC(=O)Cc1c[nH]c2ccccc12 235971 SFHCKBVSJBBUCT-UHFFFAOYSA-N 264.328 3.658 0 40 CHAB O=C(O)c1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@H]21 49386 NICOKRPJPBMVCX-CUFDPUGPSA-N 297.398 3.986 0 40 CHAB c1ccc2sc(Cc3cn4ccccc4n3)nc2c1 238328 NWDYVQNGZHLJED-UHFFFAOYSA-N 265.341 3.535 0 40 CHAB CCOc1ccc2[nH]c3c(N4CCCCC4)ncnc3c2c1 542285 HLKAXCRSPIPGPX-UHFFFAOYSA-N 296.374 3.500 0 40 CHAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)no1 892752 VCHVNZIIEOKWBA-UHFFFAOYSA-N 271.103 3.542 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccccc1F 2243646 UPZMVUFMKDOWPG-UHFFFAOYSA-N 266.312 3.522 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(F)c1 3556213 UGRZMQQFHKXTLU-UHFFFAOYSA-N 255.292 3.567 0 40 CHAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2)N3)C1 4525549 NXSOHIGGBSRJBY-MEBBXXQBSA-N 298.411 3.727 0 40 CHAB Cc1nnsc1C(=O)N(c1ccccc1)c1ccccc1 4584566 ORVUSKNUQNPKJQ-UHFFFAOYSA-N 295.367 3.825 0 40 CHAB CC(C)OCCCNC(=O)Nc1cccc2ccccc12 4718795 LHUSGEIMVDJCCX-UHFFFAOYSA-N 286.375 3.776 0 40 CHAB O=c1c(O)c(-c2ccccc2Cl)oc2ccccc12 4749958 JDEURDYJJIGSJA-UHFFFAOYSA-N 272.687 3.819 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1c[nH]c2ccccc12 5299880 SPRIUNZPZBWWKA-AAEUAGOBSA-N 271.364 3.868 0 40 CHAB Cc1cc2occ(CC(=O)NCc3ccccc3)c2cc1C 5557763 FTVLAUFPZWGRKE-UHFFFAOYSA-N 293.366 3.909 0 40 CHAB COC(=O)C[C@H](CC(=O)c1ccccc1)c1ccccc1 6379341 NOXBNKMKZKRHGZ-INIZCTEOSA-N 282.339 3.606 0 40 CHAB CCSc1nc2sccc2c(=O)n1-c1ccccc1 6907523 UUUXTTXNXSBBNR-UHFFFAOYSA-N 288.397 3.559 0 40 CHAB CC(=O)c1ccc(OCc2cc(-c3ccco3)on2)cc1 9503392 SRXRMKYCTVWAJI-UHFFFAOYSA-N 283.283 3.716 0 40 CHAB Cc1nc2cc(NC(=O)c3ccc(Cl)o3)ccc2o1 12912803 BFTAYOLCXWGVSD-UHFFFAOYSA-N 276.679 3.635 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCC[C@@H](C)C2)c1 19933378 GVHRUZZGYOGQGQ-WBMJQRKESA-N 289.419 3.638 0 40 CHAB CCCN1c2ccccc2S(=O)c2ccccc21 22607657 MJAKCBAPIIVZSR-UHFFFAOYSA-N 257.358 3.715 0 40 CHAB FC(F)(F)c1cc(Br)cc(C(F)(F)F)n1 34438928 UZOZLEVNCJCYLZ-UHFFFAOYSA-N 293.992 3.882 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OCc1ccccc1 36393884 BGNJFFDMGYHCJT-CVEARBPZSA-N 297.398 3.778 0 40 CHAB COc1ccc(OC)c(C(=O)c2c(F)cccc2Cl)c1 37353811 PGLLOUWHCGYPGQ-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB CCc1nc(CN(CC)Cc2cccs2)cs1 40049838 VXWFRWFIHGTFLT-UHFFFAOYSA-N 266.435 3.789 0 40 CHAB Cc1ccc(C(=O)C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1 40090659 KCLHBVXAHJATLE-UAGQMJEPSA-N 299.414 3.605 0 40 CHAB CC(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 40159716 DENPJWBNGFTZHC-QMMMGPOBSA-N 260.164 3.827 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccc(N)c1 44135415 URRTXXSKMLRQHG-CQSZACIVSA-N 276.380 3.731 0 40 CHAB Cc1cc(N)cc(C)c1NC(=O)c1cc2ccccc2o1 45889192 AWVRUJFOUIFJFL-UHFFFAOYSA-N 280.327 3.884 0 40 CHAB CN(C)c1cccc(C(=O)N2CCSc3ccccc32)c1 58061644 JKYAJLURXVSZDH-UHFFFAOYSA-N 298.411 3.505 0 40 CHAB Cc1ccc(OCc2c(F)cccc2Cl)c(CO)c1 71409660 HRGIWNQYRSXWJY-UHFFFAOYSA-N 280.726 3.859 0 40 CHAB Cc1cccnc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72211127 VTJONMYGOKPLIX-INIZCTEOSA-N 296.370 3.864 0 40 CHAB CC(C)N(c1ccc([C@@H]2CCCCN2C)cn1)C(C)C 72212970 NSIKWAUSYNIPQK-INIZCTEOSA-N 275.440 3.862 0 40 CHAB CCCN1CCCC[C@H]1c1ccc(S)nc1C 72218399 SJBJHVZIQGJWNC-ZDUSSCGKSA-N 250.411 3.616 0 40 CHAB Cc1cccnc1-c1nc(-c2cccnc2)cs1 72284272 DHMAOSXZXPNMFR-UHFFFAOYSA-N 253.330 3.576 0 40 CHAB C[C@H](S[C@@H](C(N)=O)c1ccccc1)c1cccs1 77961492 FMMKFWGLDKDKTN-GXFFZTMASA-N 277.414 3.769 0 40 CHAB Cc1ccc([C@H]2CSCCN2C(=O)C2CC=CC2)cc1 77996729 JQQJMNARDAMHJA-MRXNPFEDSA-N 287.428 3.578 0 40 CHAB CCOCCC(=O)N(c1ccccc1)c1nc(C)cs1 78472666 UDTCZVFDHDHASK-UHFFFAOYSA-N 290.388 3.543 0 40 CHAB Cc1cnn(CCN[C@@H](C)c2ccc3ccccc3c2)c1 89702501 KKSYXAFLISBPMU-HNNXBMFYSA-N 279.387 3.696 0 40 CHAB COC(=O)C[C@H](C)SCc1csc(-c2ccoc2)n1 89894572 TUMBGZXXOLBMHY-VIFPVBQESA-N 297.401 3.588 0 40 CHAB Cc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 100748585 PUOKFGFSKDLUKS-ROUUACIJSA-N 285.387 3.719 0 40 CHAB Cc1cnccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 107292094 NPJFALCJRIIPOX-SNVBAGLBSA-N 286.400 3.829 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2)C1 146122659 UASWAQXJHNSVQO-CQSZACIVSA-N 261.365 3.801 0 40 CHAB COC(=O)[C@H](C)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223193607 QMNIFENPPOABHJ-STQMWFEESA-N 275.392 3.649 0 40 CHAB Cc1ccc(NC(=S)NCc2ccccc2Cl)nc1 223932866 CGBPMMDROZWFRJ-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB O=C(NCCCc1ccc(Cl)cc1)NC1CCCCC1 225756423 ZHWOXHKXTUVPQT-UHFFFAOYSA-N 294.826 3.905 0 40 CHAB CC1(NC(=S)Nc2ccc(F)cc2)CCCCC1 225851783 PLKUHNLOLXVWKG-UHFFFAOYSA-N 266.385 3.835 0 40 CHAB CCCn1cc(CNc2cnn(C3CCCC3)c2)c(C)n1 256054202 VKJUJOFOSAKSFC-UHFFFAOYSA-N 287.411 3.525 0 40 CHAB Cc1ccc(-c2ccc(C(=O)N3CCCC3)c(C)n2)cc1 257173441 NMDUNSGXOXZMCM-UHFFFAOYSA-N 280.371 3.601 0 40 CHAB CCOC(=O)c1c[nH]c2c(Cl)ccc(Cl)c12 259790122 LDXCCXCAMCUZIW-UHFFFAOYSA-N 258.104 3.651 0 40 CHAB CCC[C@H](C)C(=O)c1ccc(C(=O)OCC)s1 575362061 YBTDOCNFGKSUPQ-VIFPVBQESA-N 254.351 3.544 0 40 CHAB CC(C)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 11865628 NLWLYTJIXINFTF-UHFFFAOYSA-N 296.322 3.953 0 40 CHAB biogenic O[C@@H](CN1CC=C(c2ccccc2)CC1)c1ccccc1 2651813 IWAGAOQLMHUERY-IBGZPJMESA-N 279.383 3.509 0 40 CHAB CC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1 382448 FDACPLQGYOKETO-KRWDZBQOSA-N 296.370 3.777 0 40 CHAB CC1=CC[C@@H](C(C)(C)NC(=O)c2ccccc2)CC1 3032913 OXLSQNCOUKNCLM-OAHLLOKOSA-N 257.377 3.941 0 40 CHAB COc1cc(C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 3510601 WSNWOBGRMPDTLJ-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB CCC(CC)NC(=O)N[C@H](C)c1cccc(Cl)c1 32909426 HCROPZOXDVYKLH-SNVBAGLBSA-N 268.788 3.889 0 40 CHAB Cc1cccc(N2C(=O)N(C(C)C)C(C)(C)C[C@]2(C)O)c1 493993 JMUSPBXIFUWAHL-KRWDZBQOSA-N 290.407 3.523 0 40 CHAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCCCCCC1 8338930 VLACMZYDHRFZDK-LBPRGKRZSA-N 296.361 3.558 0 40 CHAB Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H]1C[C@@H]1C 69452837 NFEOQMQMCRDUPX-GXFFZTMASA-N 299.399 3.531 0 40 CHAB COc1ccc2c(c1)c(C(=O)O)c(C)n2-c1ccccc1 502390 ZIPZPELKAMHRTM-UHFFFAOYSA-N 281.311 3.646 0 40 CHAB Cc1nc(-c2ccccc2Br)sc1[C@H](C)N 42288996 AJBZVMQIODFKQN-ZETCQYMHSA-N 297.221 3.901 0 40 CHAB in-vitro C[C@@]12C[C@H](c3ccccc31)[C@@](C)(O)c1ccccc12 101020740 KDXRXFMOGDIKSH-KURKYZTESA-N 250.341 3.701 0 40 CHAB CCC[C@H]1C[C@@H](C)C(=O)N(c2ccccc2Cl)C1=O 1876873 KYLXXYQOAAEJPB-MNOVXSKESA-N 279.767 3.656 0 40 CHAB CC(C)C[C@@H](C)N(C)C(=O)Nc1cccc(F)c1 58344160 YSSKKEAJXLQHLI-LLVKDONJSA-N 252.333 3.724 0 40 CHAB O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1F 12754695 ACKQFZCIWCGFPB-UHFFFAOYSA-N 290.363 3.803 0 40 CHAB CCCCCCNC(=O)c1ccc2ncsc2c1 25342598 LLLDYMYEWPVWSL-UHFFFAOYSA-N 262.378 3.606 0 40 CHAB CC(C)(C)c1nc(-c2ccccc2)sc1C(=O)O 62469982 KMSYJRTYTQIFQI-UHFFFAOYSA-N 261.346 3.806 0 40 CHAB CC(C)(C)c1nnc2sc(-c3cc4ccccc4o3)nn12 5015465 YLIGTIVVJHNBRW-UHFFFAOYSA-N 298.371 3.897 0 40 CHAB COC(=O)c1ccccc1NC(=O)CCC1CCCCC1 6228926 KNXVOKGARBRWBP-UHFFFAOYSA-N 289.375 3.772 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2C)c1 6214963 KHIOMZYPMNMMJC-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB c1ccc(Cn2nnc3cccc4cccc2c43)cc1 4592745 MXBCMBQWQRVGSU-UHFFFAOYSA-N 259.312 3.633 0 40 CHAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1 5557798 YQBDBDHKAYEANT-UHFFFAOYSA-N 283.415 3.909 0 40 CHAB Brc1cccc(-c2noc(-c3ccco3)n2)c1 4856482 KKISPVJIKJFEIB-UHFFFAOYSA-N 291.104 3.759 0 40 CHAB Nc1ncc(-c2ccc3c(c2)-c2ccccc2C3)s1 6848156 DOHPXDSTFIPCIJ-UHFFFAOYSA-N 264.353 3.964 0 40 CHAB CCN1C(=O)/C(=C\c2ccc(C)cc2)c2ccccc21 409118375 PNYPYTVTPTVOCC-VBKFSLOCSA-N 263.340 3.902 0 40 CHAB Brc1ccccc1Oc1ccncc1 19517331 LEYSHVVIBUCHMO-UHFFFAOYSA-N 250.095 3.636 0 40 CHAB COc1ccccc1[C@@H]1SCC(=O)N1C1CCCCC1 19927439 XNIQOQWNNLWXHT-INIZCTEOSA-N 291.416 3.602 0 40 CHAB CCCC(C)(C)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 84740020 UVGNUYICQBZGOC-KGLIPLIRSA-N 263.356 3.624 0 40 CHAB O=C(Nc1nccs1)N1CCCC[C@H]2CCCC[C@@H]21 95457603 VQOQDXCGJZKHTC-NEPJUHHUSA-N 279.409 3.720 0 40 CHAB Cc1ccc(Nc2ccc(NC(=O)C3CCCC3)cc2)nn1 36705708 KRZYSVIKGLRRMZ-UHFFFAOYSA-N 296.374 3.657 0 40 CHAB Cc1c(-c2ccc(F)cc2)nc2sc(C(=O)O)c(C)n12 33418126 AEZTVJUUBLUMBV-UHFFFAOYSA-N 290.319 3.517 0 40 CHAB CC(C)c1ccc(-c2nnc3ccc(Cl)nn23)cc1 36903751 QBZWMHSCHGDBRN-UHFFFAOYSA-N 272.739 3.568 0 40 CHAB CCCCCNC(=O)Nc1cc(Cl)ccc1C 32862271 QMENFZLXXKVQFE-UHFFFAOYSA-N 254.761 3.960 0 40 CHAB CCOC(=O)C[C@H](c1ccccc1Cl)N(CC)CC 72210303 DUCXPIVTPBAUBK-CQSZACIVSA-N 283.799 3.676 0 40 CHAB CCCN1CCCC[C@H]1c1cccnc1N(CC)CC 72212915 SXSUIIVLJSQHCG-INIZCTEOSA-N 275.440 3.865 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225169212 AKLOEFCTUBRSNM-ZIAGYGMSSA-N 289.419 3.638 0 40 CHAB Cc1cccc(NC(=O)c2cnc(C3CC3)nc2C)c1C 222561615 AIAKAIUWLCPXTB-UHFFFAOYSA-N 281.359 3.532 0 40 CHAB COc1ccc2cc(C(=O)N3CCCCCC3)c(C)nc2c1 138221258 LLTLCHKHQZNSOS-UHFFFAOYSA-N 298.386 3.568 0 40 CHAB COC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@@H]1C 226277425 ABJFMSAHSCRVRL-AWEZNQCLSA-N 298.386 3.643 0 40 CHAB O=C(NCCc1ccoc1)c1ccc(-c2ccsc2)cc1 225622361 UMTHBMMDEXJWQT-UHFFFAOYSA-N 297.379 3.981 0 40 CHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC)c(C)c1 225739693 PIJQHEFFJMDPFM-QGZVFWFLSA-N 293.407 3.928 0 40 CHAB CC(C)N(C)C(=O)c1ccc(Br)c(Cl)c1 95884096 FQJMZPNJOBQAEK-UHFFFAOYSA-N 290.588 3.583 0 40 CHAB COc1cc(F)c(NCc2ccsc2)cc1OC 95448780 WZGNTYQSANJUEV-UHFFFAOYSA-N 267.325 3.517 0 40 CHAB C[C@H](c1cccc(-c2nc(C3CCC3)n[nH]2)c1)N1CCCC1 96133022 JCKVSORLDKAFMO-CYBMUJFWSA-N 296.418 3.896 0 40 CHAB COc1cccc(CNc2cnn(C3CCCC3)c2)c1 256051631 JYKAXJWCQRKCIK-UHFFFAOYSA-N 271.364 3.619 0 40 CHAB CCc1ccc(C[C@H](C)NCc2ccccc2OC)cc1 575440737 WWWBFWRUWWKJIJ-HNNXBMFYSA-N 283.415 3.978 0 40 CHAB in-vitro NC1(c2c(Br)ccc3ccccc23)CC1 575628856 DQPJVNSRSMGLPB-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB O=C(NCc1cc(-c2ccsc2)cs1)C1CC1 1888909649 VVJFKUQRBOYOPN-UHFFFAOYSA-N 263.387 3.503 0 40 CHAB Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)s1 11428766 UCWFKQUNAKZMRP-MRVPVSSYSA-N 292.429 3.890 0 40 CHAB CCN(CC)CCCNCc1ccccc1C(F)(F)F 13734417 MHNTUXVXHSGWAY-UHFFFAOYSA-N 288.357 3.527 0 40 CHAB CCOc1ccccc1NC(=O)CCc1ccc(F)cc1 18116033 OCKWRZRXQBVNFA-UHFFFAOYSA-N 287.334 3.796 0 40 CHAB CC[C@@H](C)N[C@H](C)c1cccc(Br)c1 19882001 HLHHDMMWSRCUBS-NXEZZACHSA-N 256.187 3.898 0 40 CHAB NCCCc1c[nH]c2ccc(-c3ccccc3)cc12 3698507 OJBINTZEIIDZEF-UHFFFAOYSA-N 250.345 3.726 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccc(C)cc2C)c1 36941019 IUBPFKRSGARQPU-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB O=C(CCCOc1ccccc1)Nc1ccc2c(c1)CCC2 2630825 ILYYMECCJYCNFP-UHFFFAOYSA-N 295.382 3.973 0 40 CHAB CCN(CC)C(=O)OC[C@@H]1[C@@H](C=C(C)C)C1(C)C 1690869 UPEYENHMHKVMGQ-CHWSQXEVSA-N 253.386 3.703 0 40 CHAB C[C@@]12O[C@H](c3ccccc3)[C@](C)(O[C@H]1c1ccccc1)O2 104241579 VFGNCHIXZJGVRM-USTZCAOPSA-N 282.339 3.978 0 40 CHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C 9140041 PNRDGSIFPGCFHR-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB CCOc1cccc(NC(=O)COc2cccc(C)c2C)c1 9817431 KRJQZZMGHZHUTG-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB CSc1n/c(=N/c2ccccc2)sn1-c1ccccc1 104276822 PYNCBSFXWCUAOP-PEZBUJJGSA-N 299.424 3.888 0 40 CHAB Cc1cc(COc2ccc(C)c3c2C(=O)C[C@@H]3C)on1 25823463 WRIXSUPWNZECSW-JTQLQIEISA-N 271.316 3.560 0 40 CHAB CC12C3[C@H]4C[C@H]5C6[C@@H]7C[C@@H]3[C@H]3[C@H]7[C@H]7C(C8[C@@H]1[C@H]4[C@H]5[C@H]8[C@@]67C)[C@H]32 104294454 GIOLPCYFILVKLC-LODYLTRBSA-N 290.450 3.774 0 40 CHAB O=C(NCCSC1CCCC1)Nc1ccccc1F 27356517 UZNRVFXZKJVYMN-UHFFFAOYSA-N 282.384 3.623 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 53357826 LBRUODHYZOIDPT-CJNGLKHVSA-N 295.386 3.583 0 40 CHAB Fc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2ncnn21 2228191 QPLJPNAYDGEKKK-HZPDHXFCSA-N 294.333 3.564 0 40 CHAB COC(=O)c1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1 3292575 ITFLLZSPNHMFAC-CYBMUJFWSA-N 297.354 3.606 0 40 CHAB CCOC(=O)CCCC(=O)c1cc(Cl)cc(Cl)c1 2378898 WXZQEIHIPYBNNV-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB Cc1ccc(F)cc1NC(=S)NCc1ccccc1 3330102 LUNXLDBGDGXQCA-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)C(C)C)c1 48258805 FCLLISQZVMTNLG-LBPRGKRZSA-N 291.395 3.510 0 40 CHAB Cc1nc(-c2cccs2)sc1C(=O)N1CCCCC1 12784294 CEKCTUOXIZYFLF-UHFFFAOYSA-N 292.429 3.806 0 40 CHAB CSCc1nnc(SCc2ccc(C)cc2)o1 48396379 XLCCHJAKJGXYNS-UHFFFAOYSA-N 266.391 3.533 0 40 CHAB O=C(NCc1ccc(F)cc1)c1cc2c(s1)CCCC2 3449763 SAQIWNFPTKVSGJ-UHFFFAOYSA-N 289.375 3.696 0 40 CHAB O=C(NCC1CCCCC1)[C@H]1CCCc2ccccc21 12905901 FHSXJCIHXSBTCF-KRWDZBQOSA-N 271.404 3.803 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C)o1 39996891 BIJMXGSWLGRVBA-GFCCVEGCSA-N 275.373 3.799 0 40 CHAB COc1cc(C)c(NC(=O)c2ccc(C)cc2)cc1OC 6259132 BPSAEPUGJYYHAT-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB O=C(Nc1ccccc1Cl)c1cnn(-c2ccccc2)c1 20886409 ACMUBKFLNRIQEX-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB C[C@@H](NC(=O)c1ccccc1)c1cc2ccccc2o1 14245498 BYDVMTHWYYBYCE-GFCCVEGCSA-N 265.312 3.924 0 40 CHAB Cc1cccnc1NC(=S)Nc1ccccc1Cl 5579832 ALHARSCKKJOEAA-UHFFFAOYSA-N 277.780 3.852 0 40 CHAB Brc1ccoc1-c1nc(-c2ccccc2)no1 18208936 CGKNVAIEQWYLQX-UHFFFAOYSA-N 291.104 3.759 0 40 CHAB SC1=NC2(CCCCCC2)N=C1c1cccs1 67172545 YPFQHACCWZTEFF-UHFFFAOYSA-N 264.419 3.930 0 40 CHAB COC[C@H](C)Nc1nc(-c2ccc(Cl)s2)cs1 7763437 BDYZMBPLCACSHG-ZETCQYMHSA-N 288.825 3.972 0 40 CHAB Cc1cc(N)ccc1NC(=O)COc1ccccc1C(C)C 19736348 YTOCGMHKOWXTTN-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB CC(C)CC(=O)NC[C@H]1[C@@H](c2ccccc2)C1(C)C 89802186 RNGVSXNMRLNQTJ-GOEBONIOSA-N 259.393 3.589 0 40 CHAB O=C(O)CCc1ccc(-c2cccc(Br)c2)o1 20267807 DFGJZSHKOCKHPJ-UHFFFAOYSA-N 295.132 3.726 0 40 CHAB CC[C@H](C)NC(=O)CSCc1ccc(Cl)cc1F 187957128 XYVDJISCUAJOMC-VIFPVBQESA-N 289.803 3.627 0 40 CHAB CN(c1ccccc1)c1ccc([C@H]2CCCCN2)cn1 72214211 DHVCRWDBVBCLIM-MRXNPFEDSA-N 267.376 3.664 0 40 CHAB Cc1nc(NC(=O)C(C)C)sc1Cc1ccccc1 36639348 IGTAKKBKDNJEIX-UHFFFAOYSA-N 274.389 3.637 0 40 CHAB C[C@H](Cc1cccs1)NC(=O)Cc1ccccc1Cl 38565805 GVDRLZUTEXOQIS-LLVKDONJSA-N 293.819 3.691 0 40 CHAB Clc1cccc(OCC[C@H]2CCCNC2)c1Cl 42772236 AHCDZTSNGBIESR-SNVBAGLBSA-N 274.191 3.762 0 40 CHAB COc1ccc(CNCc2ccc(CC(C)C)n2C)cc1 226020248 IGVVCEOAVOGGNX-UHFFFAOYSA-N 286.419 3.522 0 40 CHAB COC(=O)[C@H](C)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223194275 HRZJBCQAMCTMAO-KBPBESRZSA-N 289.419 3.957 0 40 CHAB Cc1ccc(C)c(Nc2ccc(C(=O)NC3CC3)cc2N)c1 225418887 WHTRGTNQVLPCJN-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB O=C(N[C@H](c1nccs1)C1CC1)c1cccc2cc[nH]c12 80495491 FCORUFDRVZGQFU-AWEZNQCLSA-N 297.383 3.506 0 40 CHAB COC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1 82723125 AQOUYBCVUSGPHU-UHFFFAOYSA-N 284.311 3.615 0 40 CHAB Nc1c(C(F)(F)F)ccc2c1ccn2[C@H]1CCCCO1 1504244932 MHRMASGUIMPTLD-GFCCVEGCSA-N 284.281 3.941 0 40 CHAB CC(C)(C)C(=O)N1CCC(c2cccs2)CC1 77103309 BFZULAGRKDUBIQ-UHFFFAOYSA-N 251.395 3.500 0 40 CHAB CC[C@H](CSC(F)(F)F)NCc1ccc(F)cc1 95918326 UGFTWDPYVWVCAJ-LLVKDONJSA-N 281.318 3.947 0 40 CHAB COc1ccccc1C[C@@H](C)N[C@@H](C)c1ncc(C)s1 96479088 GCKOMLZPWFBVLY-YPMHNXCESA-N 290.432 3.742 0 40 CHAB Fc1ccccc1Cn1c(=S)[nH]c2ccccc21 13534386 QHNFDFRLESUGOG-UHFFFAOYSA-N 258.321 3.886 0 40 CHAB Fc1cccc(CSc2nc3ccccc3[nH]2)c1 5628296 YXOFSBSKFWCNTL-UHFFFAOYSA-N 258.321 3.994 0 40 CHAB Cc1cccc(CNC(=O)[C@@H](C)Sc2ccccc2)c1 13676616 QACRRSPNUCQMJO-CQSZACIVSA-N 285.412 3.792 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1 13994545 HPRPYYLHYUFUGB-HNNXBMFYSA-N 287.334 3.930 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)NCc1ccc(F)cc1 15789852 WUWGIBYSFAGDAM-LBPRGKRZSA-N 289.375 3.623 0 40 CHAB N=C1CSC(N(c2ccccc2)c2ccccc2)=N1 16488017 QLUAHMSSNBPBHM-UHFFFAOYSA-N 267.357 3.905 0 40 CHAB O[C@@H](CCN1CCCCC1)c1ccc2ccccc2c1 1746963 QIYOWKYRYLZLET-SFHVURJKSA-N 269.388 3.749 0 40 CHAB O[C@H](c1cccc(F)c1)c1cc(F)cc(Cl)c1 4242373 RGBKGNVWRLEJTG-CYBMUJFWSA-N 254.663 3.700 0 40 CHAB CC(C)NC(=O)c1ccccc1OCc1ccc(F)cc1 5392341 UDYJTAZIGFZFFR-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB CSc1ccc(NC(=O)c2cc(F)ccc2F)cc1 12039231 WDBXOMDMBACNJF-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB c1ccc2[nH]c(CSc3ncnc4ccccc34)nc2c1 24748 NSDOWMLMWQFTBB-UHFFFAOYSA-N 292.367 3.798 0 40 CHAB CN(Cc1ccc(F)cc1F)c1cnc2ccccc2n1 24207771 UKGGVWRNIUAFRQ-UHFFFAOYSA-N 285.297 3.544 0 40 CHAB Clc1ccccc1CNCc1nc2ccccc2[nH]1 53516925 NHYDDLJKBJSOPA-UHFFFAOYSA-N 271.751 3.506 0 40 CHAB CC(C)(C)c1noc(CN2CCC[C@@H]2c2cccs2)n1 40051160 MSDUKUDZOVVKBB-LLVKDONJSA-N 291.420 3.766 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 31245422 REDQWFANSZHEKR-XHDPSFHLSA-N 259.349 3.603 0 40 CHAB CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 189885 BUUNXKBAQARCBI-UHFFFAOYSA-N 296.278 3.511 0 40 CHAB biogenic CC(C)CNC(=O)c1ccccc1SCc1ccco1 32196883 VNGHBZJYTRCBJA-UHFFFAOYSA-N 289.400 3.958 0 40 CHAB O=C(O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2 101419684 YQJWERNTXSCVRQ-SLEUVZQESA-N 264.752 3.774 0 40 CHAB in-vitro CC(C)CC(=O)c1cc(F)cc(Br)c1O 52068570 YPZGHXZQFXXHSZ-UHFFFAOYSA-N 275.117 3.523 0 40 CHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccs1 326283 GSBQBMMGVLWGCR-XYOKQWHBSA-N 289.743 3.746 0 40 CHAB C[C@@H](C(=O)O)c1cccc2c(=O)cc(-c3ccccc3)oc12 1582676 BWYAJVAESQFWLH-LLVKDONJSA-N 294.306 3.648 0 40 CHAB CC(C)CO[C@@H]1CCC[C@@H](Oc2ccccc2)O1 1677139 WKHNXJDXZCRGQN-GJZGRUSLSA-N 250.338 3.591 0 40 CHAB COc1cc(C=Cc2sc3ccccc3[n+]2C)ccc1O 4416691 BZOSZTUVIDZUAS-UHFFFAOYSA-O 298.387 3.610 0 40 CHAB CC(C)[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 550891 NAHIGDBJZMCRPX-INIZCTEOSA-N 293.370 3.690 0 40 CHAB CC(C)NC(=O)CSCc1cccc2ccccc12 23411367 YHJOJIHSHJDZRL-UHFFFAOYSA-N 273.401 3.598 0 40 CHAB Cc1cc(C)c2nc(S[C@H]3CCOC3=O)cc(C)c2c1 12532464 AVUUKLPJAUFQCC-ZDUSSCGKSA-N 287.384 3.568 0 40 CHAB CCN(C(=O)N[C@@H](C)c1csc(C)n1)C1CCCCC1 72271609 JQEJUTLEQXMJPR-NSHDSACASA-N 295.452 3.877 0 40 CHAB Clc1ccc(CNCCOc2ccccn2)c(Cl)c1 57353324 SESGMIJTJRFNOR-UHFFFAOYSA-N 297.185 3.557 0 40 CHAB Cc1noc(C)c1CN[C@@H]1CCSc2ccccc21 34996583 XPZQVTMIUFGYRE-CQSZACIVSA-N 274.389 3.618 0 40 CHAB COC(=O)c1cc(Cl)cc(Br)c1Cl 28278696 OHMVBWKRRWAFOK-UHFFFAOYSA-N 283.936 3.543 0 40 CHAB CCc1ccc(C(=O)N2CCC[C@H]2c2cc(C)on2)s1 44633827 PHUVJECCPNDOHF-ZDUSSCGKSA-N 290.388 3.584 0 40 CHAB C=C1c2ccccc2NC(=O)N1Cc1ccccc1OC 12779258 MCNFYXDQWKZZNI-UHFFFAOYSA-N 280.327 3.714 0 40 CHAB O=C(c1ccc(Br)cc1)c1ccc(F)c(F)c1 4241595 ZBZKMVBOJLOHPU-UHFFFAOYSA-N 297.098 3.958 0 40 CHAB Clc1ccccc1CNc1nc2ccccc2[nH]1 6227924 KFBHCLBUZPISKR-UHFFFAOYSA-N 257.724 3.828 0 40 CHAB in-vitro O=C(NCc1ccccc1)Nc1nc2ccccc2s1 6228390 OEGNLECGUZPYNQ-UHFFFAOYSA-N 283.356 3.618 0 40 CHAB Cc1cccc(CSCC(=O)Nc2ccccc2)c1 5236361 KGNQFXIZUSXHCZ-UHFFFAOYSA-N 271.385 3.867 0 40 CHAB Cc1ccsc1/C=C/c1noc(-c2ccccc2O)n1 5340308 HDAYKIBMRMKDNC-VOTSOKGWSA-N 284.340 3.983 0 40 CHAB Brc1cccc(Cn2cnc3ccccc32)c1 14214699 LDIXDONRZWLJMZ-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB c1ccc(CN2CCc3c([nH]c4ccccc34)C2)cc1 68605323 IGIUIKGIKDZXLT-UHFFFAOYSA-N 262.356 3.726 0 40 CHAB CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 15734880 NWWZZZWFEHEHBD-UHFFFAOYSA-N 296.414 3.919 0 40 CHAB C[C@H](OC1CCCCCC1)c1nc(-c2ccncc2)no1 95414592 DQKVAOKIUCYTQI-LBPRGKRZSA-N 287.363 3.932 0 40 CHAB O=C(CCc1ccccc1Cl)Nc1n[nH]c2ccccc12 34867705 JXMCMJQYKHKSPK-UHFFFAOYSA-N 299.761 3.788 0 40 CHAB Cn1cc(CCCC(=O)Nc2cccnc2)c2ccccc21 72404602 LMQKTXLLNIYAAI-UHFFFAOYSA-N 293.370 3.535 0 40 CHAB CCCCN1CCC[C@H]1c1cnc(N2CCCC2)cc1C 72218866 LFEOMRUEHDPPEB-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB O=C(O)c1cc2ccc(OCc3ccccc3)cc2o1 70453241 ROBXWXUVARRLLU-UHFFFAOYSA-N 268.268 3.710 0 40 CHAB O=Cc1ccc(Oc2ccc(F)c(F)c2)c(F)c1 36750044 IZNNWEDEDYGCEB-UHFFFAOYSA-N 252.191 3.709 0 40 CHAB COc1ccc(CNCCC2=CCCCC2)c(OC)c1 13723773 DDUNRXZWRAHTKZ-UHFFFAOYSA-N 275.392 3.684 0 40 CHAB O=C(O)c1cc2sccc2n1Cc1cccc(F)c1 32501245 IZDKLFPECJFLCE-UHFFFAOYSA-N 275.304 3.588 0 40 CHAB Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccco2)C1 78185222 ZQTIYKDTBHAFIV-KBPBESRZSA-N 269.344 3.606 0 40 CHAB CCOc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 222808783 WBJZJCYWYCFFQG-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB CCCOc1c(C)cc(NC(=O)[C@@](C)(CC)OC)cc1C 225604145 SNHCXKARRQZIFZ-QGZVFWFLSA-N 293.407 3.846 0 40 CHAB O=C(NCCCc1ccccc1Cl)NC1CCCCC1 225756385 VPPCTOSNWIQSIX-UHFFFAOYSA-N 294.826 3.905 0 40 CHAB C[C@@H](CNC1CCCCCCC1)C(=O)OC(C)(C)C 47219150 PHXWVWIKWISESL-ZDUSSCGKSA-N 269.429 3.667 0 40 CHAB CC(C)OCc1cccc(CNC(=O)c2cccs2)c1 49151839 PMSBWHYPMDWVGU-UHFFFAOYSA-N 289.400 3.603 0 40 CHAB C[C@@H](SC[C@@H](O)C(F)(F)F)c1nc2ccccc2o1 191154484 XPAVJPONPDMEMV-GMSGAONNSA-N 291.294 3.545 0 40 CHAB FC(F)(F)c1cc(Cn2cccn2)cc(C(F)(F)F)c1 629357868 HTHNVWRYDAUGPX-UHFFFAOYSA-N 294.198 3.969 0 40 CHAB CCOc1ccc(C(=O)c2ccccc2CC)cc1 89064244 BIJXBRLDUWBXQN-UHFFFAOYSA-N 254.329 3.879 0 40 CHAB C/C(=C\C(=O)N[C@H]1CCC[C@H](C)C1)c1ccc(F)cc1 96313727 BGRXYDMSYOMQSG-ZZIWIRLVSA-N 275.367 3.924 0 40 CHAB C[C@@H](NC(=S)NC1CCCCCC1)c1ccccc1 13818463 UMBSVPDSASEQGL-CYBMUJFWSA-N 276.449 3.935 0 40 CHAB C[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1 4906156 HBGSSXPVPKMKAU-SJCJKPOMSA-N 254.377 3.671 0 40 CHAB biogenic CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccco1 40069673 YOUKBZMCKWXWQU-CABCVRRESA-N 277.408 3.933 0 40 CHAB O=C(Nc1ncc(-c2ccccc2)s1)C1CCC1 40087538 BYLXHYPGUGMVBF-UHFFFAOYSA-N 258.346 3.549 0 40 CHAB COc1cccc(C(=O)Nc2ccc(C)c3ncccc23)c1 31091985 ALEBRBUJYAVIPF-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccc(Cl)nc1 40418397 KOYOPZRHGLWXDG-NSHDSACASA-N 268.788 3.681 0 40 CHAB CCCc1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1 100615496 DUDHANRAJAQRNI-UHFFFAOYSA-N 287.750 3.708 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)c(C)c1 364963 FNTGQGRATKJMQC-HZPDHXFCSA-N 297.398 3.948 0 40 CHAB O=C(O)C[C@H](CC(=O)c1ccccc1)c1ccccc1 338868 ZOKVLFUFXBUTKQ-HNNXBMFYSA-N 268.312 3.518 0 40 CHAB O=C1CCCC[C@H]1[C@@H](O)c1c(Cl)cccc1Cl 1567505 FZYIXDFVZCYBSS-AMIZOPFISA-N 273.159 3.786 0 40 CHAB Cc1ccc(-c2nc3ccccc3c(=O)n2C(C)C)cc1 1572239 RYMIFBWUAPTEOT-UHFFFAOYSA-N 278.355 3.953 0 40 CHAB CN1CCC2=C(c3ccccc3)c3ccccc3[C@@H]2C1 1595112 JNDASOYIKNULGB-SFHVURJKSA-N 261.368 3.921 0 40 CHAB Cc1ccc(OCCCC(=O)Nc2cccc(F)c2)cc1 3608049 ZOWWDAFIZFBUTQ-UHFFFAOYSA-N 287.334 3.932 0 40 CHAB OCCSCCCCCCCCCCSCCO 4217555 WRCITXQNXAIKLR-UHFFFAOYSA-N 294.526 3.558 0 40 CHAB in-man Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)c(C)c1 7381959 VJFHZSPNGQZNGD-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Cc1ccc(NC(=S)N(C)Cc2ccccc2)cc1 7522496 NPUVCBILVOOSPU-UHFFFAOYSA-N 270.401 3.824 0 40 CHAB S=C(NCc1cccc(Cl)c1)NCc1cccs1 7982966 WIKJPCUUACCQOE-UHFFFAOYSA-N 296.848 3.566 0 40 CHAB C[C@H](NC(=O)CCC1CCCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 102404013 GHASTKLRCQNJHQ-LCGIIJARSA-N 263.425 3.898 0 40 CHAB Cc1ccc(CN2CCC(N3CCC(C)CC3)CC2)cc1 2734802 MVSCFPZAXZUDED-UHFFFAOYSA-N 286.463 3.691 0 40 CHAB CC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 10120353 KHUWYVIFPKSJND-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB CCC[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 8519913 MCTKTPNIWRIULL-CYBMUJFWSA-N 295.429 3.568 0 40 CHAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CC1 3199287 ASZNGVSVGBZFFG-UHFFFAOYSA-N 299.757 3.920 0 40 CHAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)[C@H]1C[C@H]2CC[C@H]1C2 108924766 GSCPOBFEYKDEKQ-DZHLUBAWSA-N 279.330 3.519 0 40 CHAB O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100164141 KHWMXALDGHPVGM-BREBYQMCSA-N 264.756 3.650 0 40 CHAB O=C(COc1ncnc2ccccc12)c1ccc(Cl)cc1 3263595 MSJLSEGZVNLAOJ-UHFFFAOYSA-N 298.729 3.545 0 40 CHAB O=C(OCc1ccc(F)cc1)c1ccc2ccccc2n1 3284608 JDZHDJUOWDOODP-UHFFFAOYSA-N 281.286 3.731 0 40 CHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1 12698224 RQQWJDZISOFPKN-ZDUSSCGKSA-N 284.359 3.535 0 40 CHAB OC1=Nc2cc(Cl)ccc2O[C@@]1(Cl)C(F)(F)F 2066525 ISHXNSGFMGVRPZ-MRVPVSSYSA-N 286.036 3.818 0 40 CHAB CCOc1cccc(CNc2ccc(C(=O)O)cc2C)c1 20881183 QNZKONWPFABXEQ-UHFFFAOYSA-N 285.343 3.704 0 40 CHAB CCCCn1c(C(C)=O)nc2cc(Cl)ccc21 64874415 GNOJGTSNFIQHTR-UHFFFAOYSA-N 250.729 3.692 0 40 CHAB CCOC(=O)[C@@](CC)(NCc1ccccc1)c1ccccc1 65734654 YETKYCLVMZREBS-IBGZPJMESA-N 297.398 3.645 0 40 CHAB in-vitro Cc1ccc(C(=O)OCc2cc(-c3ccccc3)no2)o1 12787273 YITYXPJJIPKJHK-UHFFFAOYSA-N 283.283 3.600 0 40 CHAB C[C@@H]1c2cccn2CCN1C(=O)CCC1CCCCC1 48324735 CXEHKKMBGFLANR-CQSZACIVSA-N 274.408 3.752 0 40 CHAB O=C(c1cccc(Cl)c1)c1ccccc1CN1CC=CC1 2515888 XCWSHQHHORQCCU-UHFFFAOYSA-N 297.785 3.943 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(O)c2)cc1Cl 63022131 XZJUXXJJKDCXMG-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)OCCCO3)c1 19169411 RTQRULXVXKMCJI-UHFFFAOYSA-N 297.354 3.717 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 8941647 QYDFXHYWYYFZFA-LBPRGKRZSA-N 258.321 3.779 0 40 CHAB CCCCc1ccc(Nc2nnc(S)s2)cc1 6146661 UFYJLWRSIFAIJV-UHFFFAOYSA-N 265.407 3.913 0 40 CHAB Cc1nc(NC(=O)c2ccccc2Cl)sc1C 5533879 UJGZSZLVRYYKIW-UHFFFAOYSA-N 266.753 3.666 0 40 CHAB Cc1c(C(=O)N[C@H](C)c2cccnc2)oc2c(F)cccc12 19565804 SHKHSAASKPKZRL-LLVKDONJSA-N 298.317 3.766 0 40 CHAB Cc1cccc(-c2nc(Cl)nn2-c2ccccc2)c1 22125648 FVWJZQMIDJSBLI-UHFFFAOYSA-N 269.735 3.896 0 40 CHAB COc1ccc(Cn2c(C)nc3ccccc32)cc1F 7200337 HAEOZBKQPKBSEZ-UHFFFAOYSA-N 270.307 3.541 0 40 CHAB O=C(O[C@H](c1ccccc1)c1ccncc1)c1ccco1 68724784 YUQBEUYIRVFHEG-MRXNPFEDSA-N 279.295 3.621 0 40 CHAB O[C@H](c1cccc(Br)c1)C1CCCC1 37465019 PUZLHUXDAGMKII-LBPRGKRZSA-N 255.155 3.673 0 40 CHAB Cc1ccc(CC(=O)NCCCc2ccc(F)cc2)cc1C 218804578 ZHTUCVFKOSSKNL-UHFFFAOYSA-N 299.389 3.734 0 40 CHAB Fc1ccc2c(C3=CCN(Cc4ccno4)CC3)c[nH]c2c1 76994435 DDLZTDMLLYNDCZ-UHFFFAOYSA-N 297.333 3.584 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccncc1 72211025 NBFSIJWSDJGMBW-MRXNPFEDSA-N 282.343 3.555 0 40 CHAB CCOc1cc(C(=O)N(C)Cc2ccco2)cc2occc12 72240110 UBHGRPWWPVJDCJ-UHFFFAOYSA-N 299.326 3.697 0 40 CHAB Cc1cc([C@H](C)O)cnc1SC1CCCCC1 72222793 UFQDOEGDESGEGQ-NSHDSACASA-N 251.395 3.868 0 40 CHAB Cn1ccc2cc(C(=O)Nc3ccc4cc[nH]c4c3)ccc21 40309000 VMGMLYBYLNBXBB-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic CC[C@@H](C)c1ccc(OC[C@@H]2CCNC2)c(Cl)c1 42770834 NVBHDMFJYNJPOP-VXGBXAGGSA-N 267.800 3.842 0 40 CHAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccccc1 226763410 BJFIRHQEYQOJJG-BQYQJAHWSA-N 286.762 3.883 0 40 CHAB Cc1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)n1 225462696 FADGSBGUVJQPHJ-OAHLLOKOSA-N 297.427 3.754 0 40 CHAB CCOc1ccc(NC(=O)C2(C)CC2)c2ccccc12 225930836 BEUKMQPJXNWWAZ-UHFFFAOYSA-N 269.344 3.977 0 40 CHAB O=C(O)c1cccc(-c2nc3ccc(F)cc3s2)c1 45920050 OZIHZVBRUJLNGX-UHFFFAOYSA-N 273.288 3.801 0 40 CHAB Cc1cc2occ(-c3ccc(O)cc3)c(=O)c2cc1C 48057119 DGTIOOILPJSXHY-UHFFFAOYSA-N 266.296 3.782 0 40 CHAB CC(C)Cn1cc(CN2C[C@H](C)C[C@H]2c2cccnc2)cn1 190961871 ISQFHBMCRJDFAO-QAPCUYQASA-N 298.434 3.517 0 40 CHAB O=C1[C@H](c2ccccc2)[C@H]2CC[C@@H](O2)[C@H]1c1ccccc1 247955629 NCLNSCDVGHOETK-BRSBDYLESA-N 278.351 3.684 0 40 CHAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)cc1F 254698943 JUUNWPZYETWKBU-GARJFASQSA-N 280.318 3.523 0 40 CHAB Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 13553750 LJEJKDGGXSDXOV-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(F)c2)c1 13710478 GQNUCOCHKAOJRI-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB O=C(c1cccc(F)c1)N1CCCSc2ccccc21 15513175 HRTYCXJVUUQBNQ-UHFFFAOYSA-N 287.359 3.968 0 40 CHAB O=C(/C=C/c1cccc2cccnc12)NCc1cccs1 32900090 WDNKIBOSURNZDM-CMDGGOBGSA-N 294.379 3.626 0 40 CHAB Cc1csc(C(=O)N2CCC(=C3CCC3)CC2)c1 1775985933 JRQJSQWAUUXFQT-UHFFFAOYSA-N 261.390 3.773 0 40 CHAB CCOP(=O)(OCC)[C@@](C)(O)c1ccc(Cl)cc1 4593621 QAWXOJPOBUZRDI-GFCCVEGCSA-N 292.699 3.771 0 40 CHAB O=C1C[C@@H](c2cc(F)cc(F)c2)c2sccc2N1 12360690 OPYWVUYXTSHEIX-JTQLQIEISA-N 265.284 3.500 0 40 CHAB CC(=O)c1ccccc1OC(=O)c1cccc(Cl)c1 14778452 WXWGKEOBZKBFMV-UHFFFAOYSA-N 274.703 3.762 0 40 CHAB CCN(C(=O)c1ccoc1)c1nc2ccccc2s1 23042193 ZWAYPOQONZPHMH-UHFFFAOYSA-N 272.329 3.556 0 40 CHAB CC(C)COc1ccccc1[C@@H]1CC(O)=Nc2n[nH]cc21 20745845 NCSQLYBICHUTDK-LBPRGKRZSA-N 285.347 3.568 0 40 CHAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cccs2)C1 300372 SWEDMORAHBXTJR-IAQYHMDHSA-N 263.406 3.789 0 40 CHAB CCOC(=O)Nc1ccc(N[C@@H](C)c2ccccn2)cc1 37018838 RRYWPWQMHICUGD-LBPRGKRZSA-N 285.347 3.823 0 40 CHAB O=C(Oc1ccc(O)c2ccccc12)c1ccccc1 1593652 NUZIYJFCOKPGKC-UHFFFAOYSA-N 264.280 3.765 0 40 CHAB CSC(=O)Nc1ccc(C)c(NC(=O)SC)c1 1670659 APSKCRCSBHQDSJ-UHFFFAOYSA-N 270.379 3.785 0 40 CHAB Clc1ccc(-c2cc(-c3cccnc3)[nH]n2)cc1 4805934 SFXRZRSYFHKYPX-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB Fc1ccc(Sc2ncnc3sccc23)cc1 7982608 ROJYZIZXGHQBOT-UHFFFAOYSA-N 262.334 3.982 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCCC[C@H]1C 507896 VMIOFZFIOOEUFH-GFCCVEGCSA-N 270.376 3.533 0 40 CHAB Cc1ccsc1C(=O)N1CCc2[nH]c3ccccc3c2C1 22281250 AOLZFOMQSSETAG-UHFFFAOYSA-N 296.395 3.736 0 40 CHAB O=C(CSCc1ccccc1)NCCC1=CCCCC1 104556469 ZUXLUPGWXQVTOU-UHFFFAOYSA-N 289.444 3.927 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)N(C)C1CCCC1 20454299 STGRWONVZLXBMH-ZDUSSCGKSA-N 277.433 3.709 0 40 CHAB COc1cccc2cc(CN[C@H](C)c3ccccn3)oc12 35009610 MTLXVZJDOHYGJA-GFCCVEGCSA-N 282.343 3.687 0 40 CHAB CCn1c(SC(=O)c2ccccc2O)nc2ccccc21 408692920 YLAFXZCFGHYHSE-UHFFFAOYSA-N 298.367 3.694 0 40 CHAB CC(C)c1ccc(OCCCCNC[C@H]2CCCO2)cc1 8753016 SCAVDWSAPZLLID-GOSISDBHSA-N 291.435 3.738 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)cs2)cc1 3413665 MWNVPSFWRDTFSO-NSHDSACASA-N 292.429 3.879 0 40 CHAB O=C(O)c1cc2sc(Nc3ccccc3)nc2s1 3888855 JELLTOYBWRCVJL-UHFFFAOYSA-N 276.342 3.800 0 40 CHAB CCc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1 13365176 REXKYNLTLUCYOI-UHFFFAOYSA-N 293.374 3.585 0 40 CHAB Nc1ccc(C(=O)Nc2ccc(Cl)cc2)c(Cl)c1 19260901 OGSPDZXAFAFUAL-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Nc1ccc(-c2csc(Nc3ccccn3)n2)cc1 26898558 JMIWESRBTIQUJK-UHFFFAOYSA-N 268.345 3.531 0 40 CHAB Cc1c(O)cc(-c2cccs2)n(-c2ccccc2)c1=O 6556303 RIBIPVDHRJYQLH-UHFFFAOYSA-N 283.352 3.580 0 40 CHAB CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1 6566825 UUZYRMCHULFJED-UHFFFAOYSA-N 294.426 3.576 0 40 CHAB CCCCOCCCNC(=O)c1ccc(C(C)(C)C)cc1 4679722 MAIQNXMBWDAEFG-UHFFFAOYSA-N 291.435 3.921 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1ccccc1C(C)C 9313588 GSECQIUMFHUUOD-UHFFFAOYSA-N 286.375 3.986 0 40 CHAB Cc1nc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2s1 8185784 OQNKBXJITFAJIX-LLVKDONJSA-N 272.373 3.900 0 40 CHAB O=C(C[C@H]1CCCO1)Nc1ccccc1Nc1ccccc1 84553499 WFYHDELGCPRKOO-OAHLLOKOSA-N 296.370 3.938 0 40 CHAB Cc1cccc(-c2noc(CN(C(C)C)C(C)C)n2)c1 95459777 HCJFHYFGIJAOEU-UHFFFAOYSA-N 273.380 3.664 0 40 CHAB Cn1nccc1COc1c(Cl)cc(Cl)cc1Cl 95460312 INPLSCHOFFOHAN-UHFFFAOYSA-N 291.565 3.959 0 40 CHAB CC[C@H](NC(=O)C1CCC(=O)CC1)c1cccc(Cl)c1 73693379 RXKDAQOIMUKBOK-HNNXBMFYSA-N 293.794 3.667 0 40 CHAB CC[C@H]1CN(Cc2ccc(-c3ccccc3)cc2F)C[C@H]1O 507809396 XNZMUGNVZYUCDN-IFXJQAMLSA-N 299.389 3.695 0 40 CHAB Clc1onc2c1CC[C@H]1[C@@H](CC2)C1(Cl)Cl 219776354 NXZTZPRAJRVZEP-NKWVEPMBSA-N 266.555 3.627 0 40 CHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c2ccccc12 30768710 HSKQJGLTSJUKRE-UHFFFAOYSA-N 297.807 3.524 0 40 CHAB O=C(O)[C@@H]1C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 70453152 GZOFCJUFGOWQES-NKWVEPMBSA-N 264.630 3.547 0 40 CHAB Cc1cc(C)cc(N2N=C(C(=O)O)C[C@@H]2c2ccccc2)c1 71978942 KLEIDQWOWXFYMQ-QGZVFWFLSA-N 294.354 3.695 0 40 CHAB Cc1ccc(F)cc1C(=O)c1c(F)cc(F)cc1F 62664653 HHHZVTMXRHABRG-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB CCCNC(=O)Nc1ccc(Br)c(Cl)c1 225772784 XFAGOVAXKFOEQG-UHFFFAOYSA-N 291.576 3.634 0 40 CHAB Cc1cc(F)cc(C(=O)c2ccc(F)c(F)c2)c1 43210188 NKBFHVDRWSNBKY-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CC(C)CO[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225089876 PEHAJFONSAQPIJ-LBPRGKRZSA-N 291.174 3.662 0 40 CHAB O=C(CCc1c(Cl)cccc1Cl)N1CCCC1 225343145 SKHBCZYJUYVEPX-UHFFFAOYSA-N 272.175 3.548 0 40 CHAB Cc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)C)CC(C)(C)O2 225545915 KBOUXECCMZRGFH-ZDUSSCGKSA-N 275.392 3.760 0 40 CHAB CCNc1ccc(NC(=O)c2ccc(CC)cc2)cc1 226285325 KHOQQMXQRPOKAU-UHFFFAOYSA-N 268.360 3.933 0 40 CHAB Cc1cccc(NC(=S)N[C@@H](C)CCc2ccccc2)n1 225516492 LVAIRCXTTFEDIB-AWEZNQCLSA-N 299.443 3.698 0 40 CHAB C[C@@H](CC1CC1)Nc1ccc(Cl)c(C[S@](C)=O)c1 195566336 VBZZPFDQXWKLCD-YPMLDQLKSA-N 285.840 3.819 0 40 CHAB CC(C)c1nnc(CN2CCC(=Cc3ccccc3)CC2)o1 96455406 JVKRVJBKFLPOIU-UHFFFAOYSA-N 297.402 3.872 0 40 CHAB Cc1cccc(C(=O)N2CC[C@@H](c3ccsc3)C2)c1 670739978 AVUCVKKHCQXPLO-CQSZACIVSA-N 271.385 3.686 0 40 CHAB CC1(C)c2ccccc2-c2nc3ccccc3nc2[C@H]1O 5105082 BVJSXXINSMQLPG-QGZVFWFLSA-N 276.339 3.621 0 40 CHAB C[n+]1cccc([C@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@H]32)c1 12655912 RSUINDYISXUKNH-AKHDSKFASA-N 284.423 3.868 0 40 CHAB COC(=O)N1[C@@H](c2ccccc2)[C@H]1c1ccccc1 17921091 RCDUNEOSRBMNMC-FKEKPDDDSA-N 253.301 3.551 0 40 CHAB Ic1ccc2c3c(cccc13)CC2 2564953 UBYOMLSMSGFXOY-UHFFFAOYSA-N 280.108 3.543 0 40 CHAB Cc1ccsc1CNC(=O)c1ccccc1OC(F)F 25720913 BTZLOCLQJPOIAE-UHFFFAOYSA-N 297.326 3.588 0 40 CHAB Cc1ccc(CCC(=O)N2CCC(C3CC3)CC2)cc1C 1775986119 VZLLAKNJARANAT-UHFFFAOYSA-N 285.431 3.885 0 40 CHAB Cc1ccc(C(=O)N2CCC(=C3CCC3)CC2)s1 1775986164 YJZVYQNADZTBBR-UHFFFAOYSA-N 261.390 3.773 0 40 CHAB C[C@H](NCC[C@@H](C)[S@](C)=O)c1cc2ccccc2s1 252585096 GDCSINLGACWXJI-UFYHVXEKSA-N 295.473 3.709 0 40 CHAB Fc1ccc(CN2CCc3sccc3C2)c(F)c1 84860458 FTORTLFXUAGCFF-UHFFFAOYSA-N 265.328 3.585 0 40 CHAB CC(C)(CNC(=O)c1cccc(F)c1)c1ccsc1 1565519607 YWSRWBOHCWSSDE-UHFFFAOYSA-N 277.364 3.595 0 40 CHAB CSCCC(=O)c1cccc(F)c1C(F)(F)F 575360722 LEXWANLEINSFJJ-UHFFFAOYSA-N 266.259 3.780 0 40 CHAB O=C1NC2=C(CCc3ccccc32)[C@H](c2ccc(F)cc2)N1 9108674 DJVXFQDWSJGVAJ-INIZCTEOSA-N 294.329 3.537 0 40 CHAB O=C(CCCc1ccccc1)N1CCc2ccccc2C1 1457014 GGUJWZLEJOEVIV-UHFFFAOYSA-N 279.383 3.594 0 40 CHAB Cc1ccc2nc(NC(=O)OC(C)(C)C)sc2c1 46924 LLUQSCDHKKUWSZ-UHFFFAOYSA-N 264.350 3.952 0 40 CHAB CCCCN(CCCC)C(=N)c1ccc(OC)cc1 1733630 WWVHXEKXBBIELY-UHFFFAOYSA-N 262.397 3.923 0 40 CHAB C[C@H]1CCC[C@H](N2CNc3nc4ccccc4n3C2)[C@@H]1C 4149132 KHXBHMXDHPEFQC-GUTXKFCHSA-N 284.407 3.504 0 40 CHAB CC1(C)O[C@H](c2ccc3c(c2)OCO3)Nc2ccccc21 102461535 UDMIZHXZXRASCZ-MRXNPFEDSA-N 283.327 3.791 0 40 CHAB CCCCOC(=O)CCCCCC(=O)OCCCC 4721921 IQYKLRJIMOPPKB-UHFFFAOYSA-N 272.385 3.624 0 40 CHAB Cc1ccc2nc(-n3nnc4ccccc43)cc(C)c2c1 6755489 DQIXORUVFLOIOW-UHFFFAOYSA-N 274.327 3.586 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccccc1 10113683 VIHXDTVMTKSBQH-GFCCVEGCSA-N 268.385 3.835 0 40 CHAB CCCCc1nc(C)cc(Nc2ccc(C(=O)O)cc2)n1 8702969 ZQLPNDDBXFRXLD-UHFFFAOYSA-N 285.347 3.569 0 40 CHAB CCC(CC)C(=O)Nc1cccc(Oc2cnccn2)c1 33138507 VHIGBAAYAUXKKW-UHFFFAOYSA-N 285.347 3.644 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)CCC2 53389376 OVPVOPKPXDBQFY-CYBMUJFWSA-N 297.373 3.734 0 40 CHAB CC(C)(C)c1csc(-c2cccc(C(=O)O)c2)n1 41722489 CLTHOEFLUVUZAW-UHFFFAOYSA-N 261.346 3.806 0 40 CHAB Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)no1 9314055 TYZGHTDINOWBEK-UHFFFAOYSA-N 292.338 3.831 0 40 CHAB BrC1(Br)[C@H]2CC/C=C/CC[C@H]21 100971760 STKCBSOKXZTMOU-SRLPBZNGSA-N 280.003 3.849 0 40 CHAB CCCCCCC1CCC(C(=O)N2CCOCC2)CC1 2054791 BWVDEXPFEYFOPX-UHFFFAOYSA-N 281.440 3.622 0 40 CHAB CSc1ccc(NC(=O)c2scnc2Cl)cc1 44972231 UKKQHZRJVYSQGQ-UHFFFAOYSA-N 284.793 3.771 0 40 CHAB CCc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1 58328354 FWXSKUIHOQFIBV-UHFFFAOYSA-N 295.386 3.841 0 40 CHAB CCCCc1noc(CN(CC)c2ccccc2C)n1 59418833 OKVTUGDPVXNIEO-UHFFFAOYSA-N 273.380 3.747 0 40 CHAB Cc1cccc2c(Nc3ccc(O)cc3)ccnc12 28296492 HNURBPRQAMOZNK-UHFFFAOYSA-N 250.301 3.992 0 40 CHAB Clc1ccc(-c2ccc(Br)s2)nn1 38002328 AWZDLHYLGRBAEE-UHFFFAOYSA-N 275.558 3.621 0 40 CHAB Cc1ccc(C2=NN[C@@H](c3ccccc3F)S2)cc1 409081426 ODXIWFBTYLMOPH-OAHLLOKOSA-N 272.348 3.831 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2c(F)cccc2Cl)C1 13331807 OZLWDXMRNXZBLM-AOOOYVTPSA-N 269.747 3.597 0 40 CHAB CSc1cccc(NC(=O)Nc2ccncc2F)c1 97136017 FTJVAOHLODRQES-UHFFFAOYSA-N 277.324 3.587 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1ccc(F)cc1F 6152333 QSRRNKXCRZCMBF-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB CC(=O)OCC[C@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]21C 5481115 WAZIVOKZWOLZGT-LMSBXDPUSA-N 296.451 3.933 0 40 CHAB COc1ccc(NC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 5560297 WBKVRCSZKOFTIY-LALPHHSUSA-N 292.448 3.806 0 40 CHAB CCN(CC)C(=O)c1sc(-c2ccccc2)nc1C 5597825 IBHZXNLLLXUMMJ-UHFFFAOYSA-N 274.389 3.601 0 40 CHAB CC[C@@H](NC(=O)COc1ccc(C)cc1)c1ccc(C)cc1 26203440 HGHCMJYXNFDPSJ-GOSISDBHSA-N 297.398 3.950 0 40 CHAB Cc1ccc(OCc2nc3ccc(F)cc3[nH]2)cc1 15833449 CBGSGLNDRUBUGV-UHFFFAOYSA-N 256.280 3.589 0 40 CHAB CCN(CC)CCNc1cc(C)c2cccc(C)c2n1 7735878 QJYWQQZYAWAHAS-UHFFFAOYSA-N 271.408 3.605 0 40 CHAB Cn1nc(C2CC2)c2c(C(F)F)cc(C3CC3)nc21 16990433 ABJMXKBBJFBZHC-UHFFFAOYSA-N 263.291 3.661 0 40 CHAB C[C@H]1c2ccsc2CCN1c1ncnc2sccc12 9549811 KBQLBWYWEIQJQQ-VIFPVBQESA-N 287.413 3.877 0 40 CHAB CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccsc1 75584144 VUNVNEGLMMDNCT-CQSZACIVSA-N 289.448 3.867 0 40 CHAB Fc1ccc(NC(=S)Nc2ccc3conc3c2)cc1 409198832 LOCHYPSDIFQBMF-UHFFFAOYSA-N 287.319 3.776 0 40 CHAB Cc1nc2sc(C)c(C)c2c(C2CC2)c1C(=O)N(C)C 66903648 OBMJXPDWJOSPOF-UHFFFAOYSA-N 288.416 3.801 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCCC1=CCCCC1 39975649 VAUVHWYRAVWBMF-XHSDSOJGSA-N 261.409 3.819 0 40 CHAB CCSc1ccc([C@@H]2CCCCN2CC)cn1 72217138 ASXFAWIRLBQIDB-ZDUSSCGKSA-N 250.411 3.741 0 40 CHAB Cc1ccc(/C=C/C(=O)N(C)Cc2ccc(C)cc2)cc1 216303607 DAFRXACOBWSBBL-OUKQBFOZSA-N 279.383 3.975 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(F)cc1F 36697897 ICQLBNXAJQVGIA-JTQLQIEISA-N 273.282 3.556 0 40 CHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(F)cc1F 38717011 PDMKGHJWTRTSMX-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB CN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359278 QQVMGTAWWUXOHI-ZDUSSCGKSA-N 287.794 3.606 0 40 CHAB Cc1nc(N(C)C)ccc1[C@@H]1CCCN1Cc1ccccc1 72218729 ZXLPGXHOXOAMHD-SFHVURJKSA-N 295.430 3.793 0 40 CHAB CN1CCC[C@H]1c1cccnc1Oc1ccccc1 72212185 XTYQFACUIFRVSP-HNNXBMFYSA-N 254.333 3.641 0 40 CHAB CC(C)Oc1cccc(C(=O)Nc2ccc([C@H](C)O)cc2)c1 226273335 GWRDBRMOXORASK-ZDUSSCGKSA-N 299.370 3.779 0 40 CHAB CN(CCCC(=O)O)c1ccc(Oc2ccccc2)cc1 224999345 CTGBZMWSZKJIQU-UHFFFAOYSA-N 285.343 3.780 0 40 CHAB O=C(Cc1ccccc1Cl)NCCSC1CCCC1 46450654 KUNIZTBIDCDRCY-UHFFFAOYSA-N 297.851 3.675 0 40 CHAB CC(C)C(NC(=O)c1ccc2c(c1)CCCC2)C(C)C 225625976 WUMTVYAMOTWLDI-UHFFFAOYSA-N 273.420 3.976 0 40 CHAB COc1ccc(NC(=O)C2(OC)CCCC2)c2ccccc12 225804610 NDICEIQHKMQBLW-UHFFFAOYSA-N 299.370 3.746 0 40 CHAB Cc1ccc([C@@H]2CCCCCN2C(=O)C[C@H]2CCCO2)o1 98012614 KPSCBUUTVIGIBQ-CABCVRRESA-N 291.391 3.601 0 40 CHAB c1ccc([C@@H]2CN(C[C@H]3CCOC3)CC23CCCC3)cc1 247973515 UDZOJCHIZIODME-AEFFLSMTSA-N 285.431 3.683 0 40 CHAB O=C(CC1CCCC1)N1CCC[C@H]1CCc1ccncc1 257245067 INYXDACINBERBN-KRWDZBQOSA-N 286.419 3.586 0 40 CHAB CCCCc1ccc(N(CC)[C@H](CC)C(=O)O)cc1 260677675 KFQJVESBJYTXJW-OAHLLOKOSA-N 263.381 3.719 0 40 CHAB COc1cc(C(=O)C(F)(F)F)c(Cl)cc1Cl 381590826 DAFBFVJLZGRZHK-UHFFFAOYSA-N 273.037 3.747 0 40 CHAB CC(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1 52856383 QIIWYHQZVFTMTC-UHFFFAOYSA-N 299.355 3.613 0 40 CHAB CCCc1n[nH]c(S[C@@H](C)c2ccc(F)c(F)c2)n1 48834419 KJICRIWXBFRWTB-QMMMGPOBSA-N 283.347 3.889 0 40 CHAB Cc1ccc(C(=O)[C@@H]2C[C@H](C(=O)O)C(C)(C)[C@@H]2C)c(C)c1 59402447 YUQKJNKZHLWJHK-BPLDGKMQSA-N 288.387 3.869 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1N 19474324 IIAPKUXZTTXGMO-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Cl/C(=C/n1cncn1)c1ccc(Cl)cc1Cl 11680975 XGLHZTBDUXXHOM-ONNFQVAWSA-N 274.538 3.779 0 40 CHAB Cc1ccc(C)c2sc(NC(=O)CC(C)C)nc12 14258003 HRWKNEPYQFGWDC-UHFFFAOYSA-N 262.378 3.898 0 40 CHAB C[C@H](NC(=O)c1ccccn1)c1cccc(C(F)(F)F)c1 15694828 PDCYHTFAUWDLRN-JTQLQIEISA-N 294.276 3.591 0 40 CHAB O=C(c1ccncc1)N1CCCC[C@H](c2ccc(F)cc2)C1 206671132 SDMKQEXTKGUCDT-INIZCTEOSA-N 298.361 3.631 0 40 CHAB CC(C)=CC(=O)Nc1ccc(OC2CCCC2)cc1 23056654 GVYUAESRXLDBBF-UHFFFAOYSA-N 259.349 3.913 0 40 CHAB CCOc1cccc2sc(N3CCCCC3)nc12 4137848 NEJNRLZCQHFZMK-UHFFFAOYSA-N 262.378 3.685 0 40 CHAB Oc1ccnc2c(Br)cc(C(F)(F)F)cc12 102686391 DMKJXDWLLABXBP-UHFFFAOYSA-N 292.054 3.722 0 40 CHAB Fc1ccc(OC2CCCC2)c(Br)c1 19429638 FDWFALZJAVBTDO-UHFFFAOYSA-N 259.118 3.910 0 40 CHAB O=C(Cc1ccc(F)cc1)NCc1ccc(-c2ccoc2)o1 575611547 WJJRTIWWFWQPBI-UHFFFAOYSA-N 299.301 3.538 0 40 CHAB CS[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 31684971 XWDDUYIRFUEPEU-VIFPVBQESA-N 257.786 3.647 0 40 CHAB CN(C)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1 618257541 XRWLJZNBVXIFJN-ROUUACIJSA-N 296.414 3.610 0 40 CHAB CO[C@@H](CCc1ccccc1)CC(=O)c1ccccc1 34563423 NORAXXZWLVRTBQ-KRWDZBQOSA-N 268.356 3.907 0 40 CHAB Cc1ccc2[nH]c(SCc3ccccn3)nc2c1 6276192 RRLQDVNNRUSNKR-UHFFFAOYSA-N 255.346 3.559 0 40 CHAB in-vitro CC(C)NC(=O)c1cnc(-c2ccccc2Cl)s1 50535262 DGIPXMMARRCVLB-UHFFFAOYSA-N 280.780 3.602 0 40 CHAB Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 40448822 UVYFSLAJRJHGJB-UHFFFAOYSA-N 272.691 3.781 0 40 CHAB Cc1ccc2cc(CNc3ccc(F)cc3)c(=O)[nH]c2c1 410806 XJYOZBKLKHFHQP-UHFFFAOYSA-N 282.318 3.588 0 40 CHAB CSc1cccc(NC(=O)c2ccc(F)cc2)c1 362951 WWTYPRSKZWTHAK-UHFFFAOYSA-N 261.321 3.800 0 40 CHAB Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)O 70535702 FXSFOUNJWRTJRZ-UHFFFAOYSA-N 272.087 3.655 0 40 CHAB CCCC1(C)COC(c2ccc(OC)cc2)OC1 1675383 SPOPJLQZTJUYLB-UHFFFAOYSA-N 250.338 3.547 0 40 CHAB O=C(c1ccccc1-c1nc2ccccc2s1)N1CCC1 32721236 IKYLHTWATNGKGW-UHFFFAOYSA-N 294.379 3.809 0 40 CHAB CC(C)CNC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 32794807 MIPCUSLOLFAOMC-UHFFFAOYSA-N 297.402 3.623 0 40 CHAB CCOc1ccc(NC(=O)COc2cccc(CC)c2)cc1 3607895 LSPNXMSFYKQDFE-UHFFFAOYSA-N 299.370 3.665 0 40 CHAB Clc1ccc(Br)cc1[C@H]1CCCN1 3732365 HWGOBFOHCBTYIR-SNVBAGLBSA-N 260.562 3.527 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1ccccc1 6119787 WLJUZKAODXFVRR-GOSISDBHSA-N 297.398 3.593 0 40 CHAB CC[C@H]1CCCCN1C(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100629214 JTMQBKLVQMOPBR-MORSLUCNSA-N 291.435 3.563 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCCCCC1 8497131 OFEUZPSFIXJGFF-MRXNPFEDSA-N 275.392 3.555 0 40 CHAB CCn1c(NC(=O)/C=C/c2ccccc2)nc2ccccc21 10543426 VATPGFOUXJIVQK-OUKQBFOZSA-N 291.354 3.708 0 40 CHAB NC1(N2SC(S)=C3CCCC=C32)CCCCC1 100368025 AQXILPRHZTYRIE-UHFFFAOYSA-N 268.451 3.779 0 40 CHAB CCCn1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ccccc21 108981125 KUNWDXMSOCRNOV-MELADBBJSA-N 297.402 3.821 0 40 CHAB CC(=O)Nc1nn(CC(C)C)c2nc3c(C)cccc3cc12 1272342 QMLQQWBKAFOUJT-UHFFFAOYSA-N 296.374 3.507 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccsc1 24648306 WTFJKHDNSMYPHL-GFCCVEGCSA-N 289.400 3.567 0 40 CHAB Cc1cc2ncn([C@@H](C)C(=O)N3CCCCCC3)c2cc1C 76556436 UILCGAPKOQWHHJ-HNNXBMFYSA-N 299.418 3.617 0 40 CHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CC(F)(F)F 44615151 YPOWDQGMLXPXOT-VIFPVBQESA-N 285.265 3.905 0 40 CHAB CCOCCN(C(=S)Nc1ccccc1)[C@@H](C)C1CC1 8773283 CVPOCYWTYQXQPK-ZDUSSCGKSA-N 292.448 3.520 0 40 CHAB Cc1ccc(C[S@](=O)Cc2cccc(F)c2)cc1 58279342 LHYPPJKAYPRDBZ-GOSISDBHSA-N 262.349 3.583 0 40 CHAB COc1cc(Cl)c(NC(=O)c2ccccc2)cc1OC 10584834 MBCNJIDWDNXWJR-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB CC(C)C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 2320620 YAVFUNKYMQQFOC-UHFFFAOYSA-N 297.314 3.591 0 40 CHAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)C1CCCC1 48324442 HNDYFSPHYIDOGP-CYBMUJFWSA-N 275.392 3.841 0 40 CHAB COc1cccc(CCC(=O)c2ccccc2OC)c1 2516494 CRYHEFDHRKXZTB-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB Cc1ccc(OCc2nnc(S)n2C2CCCC2)cc1 11692625 UIMQWIPLPZHWCU-UHFFFAOYSA-N 289.404 3.569 0 40 CHAB c1ccc2c(c1)OC[C@H](CNc1nc3ccccc3s1)O2 13003516 DLPBKPPYLIYOAO-NSHDSACASA-N 298.367 3.548 0 40 CHAB COc1cccc(-c2nn3c(=S)cc(C)nc3s2)c1 8873696 QCVPFUMOFYOTQZ-UHFFFAOYSA-N 289.385 3.504 0 40 CHAB CCCCCCSc1nnc(-c2ccccc2)c(=O)[nH]1 13628595 OGQLIWBRWHUTEL-UHFFFAOYSA-N 289.404 3.504 0 40 CHAB c1ccc(OCCCOc2ccc(-c3nnco3)cc2)cc1 65594413 TTZMSDIHMSSDGC-UHFFFAOYSA-N 296.326 3.585 0 40 CHAB COC(=O)c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 33633161 PLPVREYFKOQSCO-UHFFFAOYSA-N 281.355 3.610 0 40 CHAB CCCc1nc(-c2cc3cccc(C)c3nc2OC)no1 5563049 GSPDIKNTYQXSRP-UHFFFAOYSA-N 283.331 3.554 0 40 CHAB COc1ccc(Oc2ccc(Br)cc2N)cc1 14631012 CCBKNZFJDWTHNG-UHFFFAOYSA-N 294.148 3.832 0 40 CHAB O=C1OC(c2ccccc2)=N/C1=C/c1cc2ccccc2o1 90662539 WRCDZJRCPKFZSD-RVDMUPIBSA-N 289.290 3.777 0 40 CHAB CCCCCNC(=O)Cc1coc2cc3c(cc12)CCC3 16023859 VVCADGATALZWTB-UHFFFAOYSA-N 285.387 3.770 0 40 CHAB Cc1cccc(NC(=O)Cc2cccc3ccccc23)n1 9338798 AOASXVTVFMPBHD-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB CCn1nc(C)c([C@H](C)Nc2ccc3cc[nH]c3n2)c1C 72433501 CXAVILYWGUIIGC-JTQLQIEISA-N 283.379 3.569 0 40 CHAB COc1ccc(C2=NN=C(SC)c3ccccc3C2)cc1 28297168 XWPAKWZXUZYQHX-UHFFFAOYSA-N 296.395 3.765 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(OC)c1 20450840 WUAHUYAGKGVHKR-CYBMUJFWSA-N 299.370 3.664 0 40 CHAB Cc1cc(C(F)(F)F)c2cnn(-c3ccccc3F)c2n1 36616902 GLUWUMGEHLQDPV-UHFFFAOYSA-N 295.239 3.887 0 40 CHAB O=C(O)c1cc(Cl)c(Cl)c2cc(Cl)cnc12 77319727 HGMQKAMHFFQHQY-UHFFFAOYSA-N 276.506 3.893 0 40 CHAB in-vitro CSc1ccccc1NC(=O)[C@@H]1CC(=O)c2ccccc21 38488478 GSWLMYDXVVIWMG-CYBMUJFWSA-N 297.379 3.717 0 40 CHAB CCN1CCCC[C@H]1c1ccc(N2CCCC2)nc1C 72218937 BOCUKFDXSLRECS-INIZCTEOSA-N 273.424 3.537 0 40 CHAB C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@@H](C)N1C 72162125 MTMBEFUBDMHEMV-HZPDHXFCSA-N 293.410 3.654 0 40 CHAB Cn1c(CNC2CCCCC2)ccc1Cc1ccco1 226021407 PNCAFJNRHKXEGE-UHFFFAOYSA-N 272.392 3.631 0 40 CHAB Cc1ccc(NC(=O)c2cnc(C3CC3)nc2C)c(C)c1 222561708 ABUBBUIFMDBWFG-UHFFFAOYSA-N 281.359 3.532 0 40 CHAB Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1C 94076 HRYUPAJETHHAPE-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCC1 17356733 FGICGRSXEWQYHR-UHFFFAOYSA-N 270.376 3.502 0 40 CHAB CCCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O 5215150 IUBFXWZENMVJGH-JLHYYAGUSA-N 291.372 3.532 0 40 CHAB CC(=O)N1CCc2cc(-c3cc4ccccn4c3)ccc21 12219446 HMWWMANVDKGZEG-UHFFFAOYSA-N 276.339 3.515 0 40 CHAB Cc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 16211935 QBWSOONDISHYIE-GUTXKFCHSA-N 274.433 3.778 0 40 CHAB C[C@]12CC=C3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2O 252428445 FABGTKBXHAEVKL-MLHJIOFPSA-N 270.372 3.519 0 40 CHAB Nc1ccc(Cl)cc1C(=O)NCc1ccc(Cl)cc1 8981679 DTOJAZWXFUJCFF-UHFFFAOYSA-N 295.169 3.506 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)ncn1 1888857207 JDPYEWXQYIFSHN-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB C[C@H](OC(=O)C1CCC1)C(=O)Nc1cccc2ccccc12 22045629 VCSKSXYQGDSOGW-LBPRGKRZSA-N 297.354 3.510 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CCCn1cccc1 49031002 XUHXMXIRAHYCDI-UHFFFAOYSA-N 276.767 3.869 0 40 CHAB CCCCc1noc(CN2CCC[C@H]2c2cccs2)n1 40049818 HSGCMSWOOYGXJK-LBPRGKRZSA-N 291.420 3.811 0 40 CHAB CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(C)nc21 20603984 PMZDALLIRGMKPO-ZETCQYMHSA-N 299.346 3.671 0 40 CHAB CCCN(C(=O)CC)c1nnc(-c2ccccc2C)s1 1345312 ZZBYMTKGACMAPL-UHFFFAOYSA-N 289.404 3.667 0 40 CHAB O=C1N(c2cccc(F)c2)C(=O)N1c1cccc(F)c1 1572589 QZQXEMIWZTWLPS-UHFFFAOYSA-N 274.226 3.531 0 40 CHAB CCOC(=O)CSCc1ccc(C(C)(C)C)cc1 1704966 RRYZLCLMLIAXOG-UHFFFAOYSA-N 266.406 3.780 0 40 CHAB C[n+]1cccc([C@@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@H]32)c1 4025877 RSUINDYISXUKNH-RDGPPVDQSA-N 284.423 3.868 0 40 CHAB CC1CCC(NC(=O)c2ccc(Br)cc2)CC1 6263611 VTVUWNFBNJKUMC-UHFFFAOYSA-N 296.208 3.758 0 40 CHAB ON(C(=S)Nc1ccc(Cl)cc1)c1ccccc1 6575315 CXJWEEPHKYDYBN-UHFFFAOYSA-N 278.764 3.933 0 40 CHAB C[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)cc1 7644701 ACZQFVBCXIBYIS-LBPRGKRZSA-N 289.762 3.596 0 40 CHAB O=C1CS[C@H](c2ccc(F)cc2)N1c1ccc(F)cc1 423753 FRFKYNYFQZRQJE-OAHLLOKOSA-N 291.322 3.743 0 40 CHAB Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1C 59341932 BNHQFRRZUXLWMD-AWEZNQCLSA-N 265.356 3.895 0 40 CHAB C[C@]12C=C[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 55160983 RZFGPAMUAXASRE-KHOSGYARSA-N 290.447 3.527 0 40 CHAB in-vitro O=C(NC1CCCCCC1)c1cc(-c2cccs2)on1 2802977 WJFXIEZRMBLSPG-UHFFFAOYSA-N 290.388 3.856 0 40 CHAB C[C@H](NC(=O)Nc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101494140 KVGMTVUPUOMKSE-KYEXWDHISA-N 258.365 3.633 0 40 CHAB O=C(C1CC1)N1CCc2sccc2[C@H]1c1ccccc1 25896574 YOLQJLUPMNUCNZ-MRXNPFEDSA-N 283.396 3.632 0 40 CHAB CCc1ccccc1NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 57529887 BDYKYARXFBVWLW-UHFFFAOYSA-N 296.370 3.657 0 40 CHAB O=C(c1ccsc1)N1CCCSc2ccccc21 12912904 AYPSUHXOLQMJRL-UHFFFAOYSA-N 275.398 3.891 0 40 CHAB Cc1ccc(C)c(-c2csc(-c3cnccn3)n2)c1 48640696 ASLJVIHICYLSDW-UHFFFAOYSA-N 267.357 3.884 0 40 CHAB CC(C)N(C(=S)Nc1cccnc1)c1ccccc1 13687102 SCMJBUGTZGREGY-UHFFFAOYSA-N 271.389 3.693 0 40 CHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCCCCC1 60992030 IZJPAHOELBMEGD-NSHDSACASA-N 277.393 3.735 0 40 CHAB CC(=O)Nc1ccc(SCc2csc(C)n2)cc1 6786767 VQMRLAJDOCNGFY-UHFFFAOYSA-N 278.402 3.702 0 40 CHAB Cc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)nc1 9116804 UALZTEQZQOCRGI-UHFFFAOYSA-N 279.343 3.740 0 40 CHAB COc1cccc2sc(NC(=O)c3ccsc3)nc12 9494193 KVGKBVQXYBZOTQ-UHFFFAOYSA-N 290.369 3.619 0 40 CHAB CC(C)CSc1nnc(-c2c[nH]c3ccccc23)o1 7005878 LTAXFFZZCBHWAO-UHFFFAOYSA-N 273.361 3.966 0 40 CHAB C[C@@H](c1ccc(-c2ccccc2C(=O)N(C)C)cc1)N(C)C 96151047 CYYGLXQLLNKVON-AWEZNQCLSA-N 296.414 3.678 0 40 CHAB COc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(C)o1 17022794 ZYKHQYYGMUKMNQ-VURMDHGXSA-N 291.734 3.902 0 40 CHAB CN(Cc1ccccc1Cl)c1nc(C2CC2)ns1 72307767 IIKBYZYGOCIBBI-UHFFFAOYSA-N 279.796 3.705 0 40 CHAB CCN(C(=O)N[C@H]1C[C@@H]1c1ccccc1)C1CCCCC1 84761170 GGSVKMCQIHUTBS-SJORKVTESA-N 286.419 3.907 0 40 CHAB c1cnn(CCSCc2csc(-c3ccoc3)n2)c1 89885040 DIDGHBDKTCHVJN-UHFFFAOYSA-N 291.401 3.533 0 40 CHAB CCc1ccc(C(=S)NCc2ccc(OC)cc2)cc1 408578126 VUQUPVQDZMWWDD-UHFFFAOYSA-N 285.412 3.723 0 40 CHAB COc1ccc(C(=O)c2c[nH]c3ccc(F)cc23)cc1 111683149 BWWONBSJCVTSKX-UHFFFAOYSA-N 269.275 3.547 0 40 CHAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)C 22524640 YCNFDLQYQWKXTI-GFCCVEGCSA-N 271.813 3.735 0 40 CHAB CCOc1ccccc1CNC(=O)c1ccc(C)c(C)c1 64762384 VUPIDESZPIXIKO-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB CCCCN1CCCC[C@@H]1c1cccnc1N(C)CC 72212800 HBOBUTOYRPXWQG-MRXNPFEDSA-N 275.440 3.865 0 40 CHAB CCc1ccc(CC)c(CNC(=O)c2cccc(F)c2)c1 224960338 HFSCRJDEHVYUGP-UHFFFAOYSA-N 285.362 3.881 0 40 CHAB Cc1ccc(C(C)C)cc1OCC[C@@H]1CCCNC1 42772556 XRQOYFSNOKXGPM-HNNXBMFYSA-N 261.409 3.887 0 40 CHAB CCn1cc(Cc2ccccc2C(=O)O)sc1=S 225393040 BWAQICYXLHVNNW-UHFFFAOYSA-N 279.386 3.588 0 40 CHAB O=c1c2ccncc2sn1-c1c(Cl)cccc1Cl 95628634 LIVXQXDSWKSPEZ-UHFFFAOYSA-N 297.166 3.754 0 40 CHAB C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccnc2)C1 98014246 GUUKMVXAFFDKNI-WBMJQRKESA-N 299.349 3.836 0 40 CHAB CC(=O)Nc1sccc1C(=O)c1ccc(Cl)cc1 96190656 FBCTVLBSYAYZJN-UHFFFAOYSA-N 279.748 3.591 0 40 CHAB Oc1c(Br)c(C(F)F)nc2ccccc12 96529312 CTWZTTJCWVJDBA-UHFFFAOYSA-N 274.064 3.641 0 40 CHAB CC(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 505732 UQIXDJHSHKZQSP-UHFFFAOYSA-N 267.328 3.758 0 40 CHAB Cc1nc2ccccc2n1C1CN([C@@H](C)c2ccccc2)C1 1775974068 KSLFFZGVTNAXIQ-AWEZNQCLSA-N 291.398 3.963 0 40 CHAB O=C(CCSc1ccc(F)cc1)Nc1ccccc1 5192839 UYMKWKRDHINZJA-UHFFFAOYSA-N 275.348 3.947 0 40 CHAB C[C@@H](Sc1ccc(Cl)cc1Cl)C(=O)O 11993907 XECKVRUWGDNORW-RXMQYKEDSA-N 251.134 3.559 0 40 CHAB Clc1nss/c1=N\c1nc2ccccc2s1 12360441 PSSKOCKSWDXEHO-WQLSENKSSA-N 285.806 3.700 0 40 CHAB O=C(Nc1c(F)cccc1F)c1cc2ccccc2o1 15011163 PEWPKHONXIUNBB-UHFFFAOYSA-N 273.238 3.963 0 40 CHAB CCCc1nc(-c2ccccc2OCC)ccc1C(=O)O 163056608 LQVWQOHXHAMHJZ-UHFFFAOYSA-N 285.343 3.798 0 40 CHAB CC(C)CCC[C@@H](C)NC(=O)c1ccc(O)c(Cl)c1 25344331 NWQLXHOVLGWOIP-LLVKDONJSA-N 283.799 3.990 0 40 CHAB c1ccc(CNCCCCCNCc2ccccc2)cc1 1692563 IMWDTSQNQPMQDP-UHFFFAOYSA-N 282.431 3.736 0 40 CHAB O=C(NCc1cncc(-c2ccco2)c1)Oc1ccccc1 575414487 SEMJLHKFNFRVGA-UHFFFAOYSA-N 294.310 3.630 0 40 CHAB CCCCN(CCCC)S(=O)(=O)c1ccc(C)cc1C 5214481 ZGTOJUIAJZJMNJ-UHFFFAOYSA-N 297.464 3.894 0 40 CHAB CCOC(=O)CCc1c[nH]c2ccc(C(F)(F)F)cc12 1857793148 USLVLSRPAXVEFG-UHFFFAOYSA-N 285.265 3.682 0 40 CHAB Oc1ccc(CNc2ccc(F)cc2)c2cccnc12 75152 GHTWMCDFYMKHAZ-UHFFFAOYSA-N 268.291 3.692 0 40 CHAB aggregator Cc1cccc(CC(=O)Nc2ccc(Cl)cc2)c1 17154682 APBXEAZSCMXQDK-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB CC(C)[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccccc1 2045970 LRUNEODTPRKRTG-MRXNPFEDSA-N 297.354 3.512 0 40 CHAB CC(C)[C@H]1CC[C@H](C)[C@@H](COC(=O)c2ccccc2)C1=O 3845726 VFYMSGHHSKKLOQ-NUEKZKHPSA-N 288.387 3.731 0 40 CHAB CCCN1C(=O)N(c2ccc(C)cc2)[C@](C)(O)CC1(C)C 493869 WVQTUIPIQWCXEY-QGZVFWFLSA-N 290.407 3.524 0 40 CHAB COCc1ccccc1NC(=O)c1cn(C)c2ccccc12 46932949 GTAUJGGGIHRTQD-UHFFFAOYSA-N 294.354 3.577 0 40 CHAB O=C(CCc1ccccc1F)Nc1cccc(F)c1 8274793 HQXCJASTDYDIRO-UHFFFAOYSA-N 261.271 3.536 0 40 CHAB Cc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cn1 22697876 HPZOPLCPQDRNRV-ZDUSSCGKSA-N 298.411 3.921 0 40 CHAB Cc1cccc2sc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)nc12 104218365 GVPPJRKIHJNUEF-SRVKXCTJSA-N 286.400 3.979 0 40 CHAB N[C@H](c1ccc(Cl)cc1)c1cccc(F)c1F 54189536 HVHQSZYLAHWOAN-CYBMUJFWSA-N 253.679 3.666 0 40 CHAB O=C1C(c2cccc(Br)c2)=Nc2ccccc21 3217877 FSGWFEDBKYVLEL-UHFFFAOYSA-N 286.128 3.766 0 40 CHAB O=C(O)C/C(=C/c1ccsc1)c1nc2ccccc2o1 12793137 GFLRBYHWVPJRRX-XFFZJAGNSA-N 285.324 3.905 0 40 CHAB Cc1noc(C)c1CSc1nnc(NC(C)(C)C)s1 13005404 BTIMJRHUJCUBIP-UHFFFAOYSA-N 298.437 3.646 0 40 CHAB CCCCN(C(=O)c1ccncc1)c1ccccc1 78230487 ZFIAUCVCRILALZ-UHFFFAOYSA-N 254.333 3.529 0 40 CHAB Cc1cc(N2CCCCCC2)nc(-c2ccccc2O)n1 13127838 TVANRJKBTQJSBO-UHFFFAOYSA-N 283.375 3.538 0 40 CHAB Cc1csc(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 69619294 HPJRLARSZHYWQM-AWEZNQCLSA-N 290.432 3.514 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2ccccn2)cc1C 13331885 JBRKSENUXDIZSA-CYBMUJFWSA-N 269.348 3.581 0 40 CHAB CC(C)C[C@H](NC(=O)c1ccoc1)c1nc2ccccc2[nH]1 8720048 ZZQATOXHLHXVDB-HNNXBMFYSA-N 297.358 3.673 0 40 CHAB CC(C)(C)c1ccc(Cn2c(=O)oc3ccccc32)cc1 6563510 GARIOONSYXZADX-UHFFFAOYSA-N 281.355 3.940 0 40 CHAB CO[C@H]1CCC[C@@H](OC(=O)c2cnc(C(C)(C)C)s2)C1 67475813 JFQXJLBLTBKVIC-WDEREUQCSA-N 297.420 3.555 0 40 CHAB c1cc(CNc2cccc3[nH]ncc23)c2cc[nH]c2c1 80354268 IUUBCLVJNSMYBH-UHFFFAOYSA-N 262.316 3.656 0 40 CHAB CC(=O)Nc1ccccc1OCc1cccc(F)c1F 9256339 SFEDABHRMMNVPO-UHFFFAOYSA-N 277.270 3.502 0 40 CHAB O=C(Nc1c(F)cccc1F)c1ccc(F)c(F)c1F 28210891 JUJPKJMMOAUWBB-UHFFFAOYSA-N 287.187 3.634 0 40 CHAB C[S@](=O)c1cccc(NCc2cccc(Cl)c2)c1 89493281 ZIVXTIBRXQTONM-GOSISDBHSA-N 279.792 3.690 0 40 CHAB Cc1cccc(C)c1OCCCCn1nnc2ccccc21 35143495 JRZBUCSRMZTPHI-UHFFFAOYSA-N 295.386 3.907 0 40 CHAB CCCN1CCCC[C@@H]1c1cccnc1N(CC)CC 72212914 SXSUIIVLJSQHCG-MRXNPFEDSA-N 275.440 3.865 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 74364004 GGZHODQDLMUDFT-LSDHHAIUSA-N 283.371 3.640 0 40 CHAB COc1ccc2cc(C(=O)N(C)[C@H](C)CC(C)C)[nH]c2c1 31285972 KFEDPVATVGWZJY-GFCCVEGCSA-N 288.391 3.683 0 40 CHAB Cc1ccsc1C(=O)N1c2ccccc2C[C@@H]1C 36718638 LVHNCLFOGJZYLQ-NSHDSACASA-N 257.358 3.648 0 40 CHAB FC(F)(F)c1cccc(C[C@H]2CCCCNC2)c1 77293317 BZXFUGGMUMPWMJ-GFCCVEGCSA-N 257.299 3.638 0 40 CHAB in-vitro CCCCNc1ncccc1[C@H]1CCCCN1CC 72213615 GTQNORYTBPQAAV-OAHLLOKOSA-N 261.413 3.841 0 40 CHAB CCN1CCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 72219152 DQUPOMYJQNNXPT-INIZCTEOSA-N 273.424 3.537 0 40 CHAB Cc1ccccc1[C@H](NCc1cc[nH]n1)C(C)(C)C 80347465 QVVVNLNQWQYDPG-HNNXBMFYSA-N 257.381 3.595 0 40 CHAB CN(C)[C@H](c1ccccc1)[C@@H](c1ccccc1)N(C)C 40148614 MYLJZKKJRGGLPH-QZTJIDSGSA-N 268.404 3.592 0 40 CHAB CC1=CC(C)(C)N(C(C)(C)C(=O)O)c2ccc(F)cc21 223204085 AZQASSFUNVLHQQ-UHFFFAOYSA-N 277.339 3.691 0 40 CHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)C(C)C 225216250 PJWFVAAIJROPLV-KBPBESRZSA-N 277.408 3.738 0 40 CHAB CCn1c(CNCc2ccccc2)ccc1CC(C)C 226020434 TXKVBTPBHQUZHJ-UHFFFAOYSA-N 270.420 3.996 0 40 CHAB CC(C)OCCC[S@](=O)c1ccc2ccccc2c1 195579562 FYGRZDISSCCLOG-IBGZPJMESA-N 276.401 3.763 0 40 CHAB Cc1ccc2nc(NCc3ccncc3)sc2c1 83410929 DSZLHIRESRSGKK-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB COc1ccccc1C(=O)c1cc(Cl)ccc1F 95917140 IVERFZQSZJHAQG-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB COc1ccc(/C=C/C(=O)Oc2ccc(C)cc2)c(OC)c1 147496 DVOXQECYYUMCKU-YRNVUSSQSA-N 298.338 3.631 0 40 CHAB ClC(Cl)(Cl)COCC(Cl)(Cl)Cl 114593315 QUSKGEMGNZXRRQ-UHFFFAOYSA-N 280.793 3.743 0 40 CHAB O=C(CCc1ccco1)Nc1cccc(Br)c1 20252572 LOMQZROWPSPQMX-UHFFFAOYSA-N 294.148 3.613 0 40 CHAB CSC(=S)n1/c(=N/C(C)(C)C)sc2ccccc21 1447138 ZGUQWTFXPNODGY-KAMYIIQDSA-N 296.486 3.898 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC=CC(=O)[C@@]43C)[C@@H]1CCC2=O 5276654 YJAXECHITCSXAX-POVLGGSNSA-N 286.415 3.943 0 40 CHAB O=C1O[C@@H](C(Cl)(Cl)Cl)Sc2ccccc21 5742663 ZFQCFEFNRZUXLP-MRVPVSSYSA-N 283.563 3.645 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC(=O)C2 13546210 IHHKCVMULSSIQO-XFMWHNAVSA-N 288.431 3.879 0 40 CHAB Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2ccccc2)s1 19927544 WAVLUZKYVMGPIR-GXFFZTMASA-N 290.413 3.619 0 40 CHAB Cc1cccc(-c2cccc(Br)c2N)c1O 169801506 DZFWZAZJJUCBCO-UHFFFAOYSA-N 278.149 3.712 0 40 CHAB Cc1ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1 226309359 GISPCOIQOAMKMT-UHFFFAOYSA-N 297.383 3.748 0 40 CHAB CCc1cc(N)ccc1NC(=O)c1ccc(Cl)cc1 226318052 GZQYIJVKTHTLAE-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB CCNCc1cccc(OCC)c1OCc1ccccc1 6326216 FASSSMGFACQTKT-UHFFFAOYSA-N 285.387 3.774 0 40 CHAB COC(=O)c1cc(Cl)ccc1C(=O)Cc1ccccc1 575361729 KLAYDKRFRFRHJV-UHFFFAOYSA-N 288.730 3.552 0 40 CHAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccccc1 149646 OIUWICLRTNHMKV-XTZCOPOCSA-N 281.355 3.586 0 40 CHAB O=C(NCc1cccs1)Nc1ccc2c(c1)CCC2 20479851 VZPFYAKZYDELDX-UHFFFAOYSA-N 272.373 3.559 0 40 CHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1ccc2ccccc2c1O 268997 PEAHXHATDQRGOQ-ZIAGYGMSSA-N 298.338 3.619 0 40 CHAB c1ccc2c(N3CCCCC3)nc(-c3ccncc3)nc2c1 337356 ADWTWBGYGXEQOR-UHFFFAOYSA-N 290.370 3.682 0 40 CHAB CCCCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 1664841 WPONIRRKFDYIEL-QZTJIDSGSA-N 269.388 3.851 0 40 CHAB C[n+]1cccc([C@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@H]32)c1 4025876 RSUINDYISXUKNH-ZSYWTGECSA-N 284.423 3.868 0 40 CHAB C[C@@]12CC[C@@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@H]2O 4428375 NLLMJANWPUQQTA-LEUOFYLZSA-N 270.372 3.529 0 40 CHAB Cc1ccc(NC(=S)NCCc2cccs2)cc1C 6627644 RPOYBRUFVHXHED-UHFFFAOYSA-N 290.457 3.894 0 40 CHAB CCCCCC[C@@]1(CC)NC(=S)N(c2ccccc2)N1 6783015 CBYSSFMMQHOZIL-INIZCTEOSA-N 291.464 3.962 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc2nsnc2c1 8071985 CSJUDTMYMWGKNV-UHFFFAOYSA-N 297.383 3.814 0 40 CHAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccccc1 12111548 JERRYZHMYWNRJE-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB CCN(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 105663375 RDKKZTVQAHNITN-KCQAQPDRSA-N 274.433 3.576 0 40 CHAB Cc1nn(-c2nc(-c3ccccc3)cs2)c(C)c1C 1393581 RRSQAIYFAGHUAM-UHFFFAOYSA-N 269.373 3.921 0 40 CHAB CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCc2ccccc21 107329833 IVBGKUJASUZVAX-SDNTUTLCSA-N 269.388 3.569 0 40 CHAB Cc1ccccc1CC(=O)Nc1ccccc1N1CCCC1 12642002 DJRJWKOLPFFATI-UHFFFAOYSA-N 294.398 3.776 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C=CC2=O 21992597 XGAZYVFYLADCPH-NPWKVKMJSA-N 286.415 3.655 0 40 CHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccn1 3458688 SCLTWTGGSMDTAB-UHFFFAOYSA-N 298.676 3.589 0 40 CHAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccs1 8762553 XUHSHOCTPZUDEY-SECBINFHSA-N 288.397 3.849 0 40 CHAB Sc1nnc(/C=C/c2ccc(Cl)cc2Cl)o1 6220063 PQTOEMDZBASDHQ-DUXPYHPUSA-N 273.144 3.836 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3F)n[nH]2)cc1 14211611 SRLYLWXJMQQPFL-UHFFFAOYSA-N 295.317 3.777 0 40 CHAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 14227742 MZYXTZXYMUBELP-KRWDZBQOSA-N 297.354 3.905 0 40 CHAB Cc1cc(C)c(NC(=O)c2cc(C)on2)c(Cl)c1 14668573 FVIWBXGXBKVZHD-UHFFFAOYSA-N 264.712 3.506 0 40 CHAB Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1 8986705 MDCQOTIOIHAUGU-UHFFFAOYSA-N 275.764 3.836 0 40 CHAB Cc1nnc(-c2cccs2)c2cn(-c3ccccc3)nc12 5792675 LGTWITPBBXPHFG-UHFFFAOYSA-N 292.367 3.852 0 40 CHAB c1ccc(-c2nc(N3CCCC3)c3sccc3n2)cc1 5875060 JSVUYGXICBQQCW-UHFFFAOYSA-N 281.384 3.959 0 40 CHAB Cn1cc(C(=O)NC2CCCCCC2)c2ccccc21 8133638 OWFCGQWRNAEAQG-UHFFFAOYSA-N 270.376 3.631 0 40 CHAB Cc1ccc2c(c1)N(Cc1nc(C)cs1)CCCO2 95459748 YSIKSROGGGTBOS-UHFFFAOYSA-N 274.389 3.549 0 40 CHAB CCN(CC)c1ccc(Nc2ccccc2N)cc1 62995784 RNGKPPNJDJNRLG-UHFFFAOYSA-N 255.365 3.859 0 40 CHAB Nc1nc2c(s1)[C@H](c1ccc(F)cc1Cl)CC(O)=N2 32094305 AEYMVBVBBCGVAS-ZETCQYMHSA-N 297.742 3.641 0 40 CHAB CCOC(=O)c1cccc(-c2ccc(OC)cc2)c1 33615424 JDEQDFXAERQEKA-UHFFFAOYSA-N 256.301 3.539 0 40 CHAB CCCN1CCCC[C@@H]1c1cccnc1NC1CC1 72213736 WXOVPOGHKWDDNV-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB O=C(O)C1CCC(c2nc3ccccc3s2)CC1 72207232 RGKFZKCIVRPBMI-UHFFFAOYSA-N 261.346 3.655 0 40 CHAB CCC[n+]1cccc(-c2nc3c(C)cccc3s2)c1 226776657 CJTLLIOFVQQISS-UHFFFAOYSA-N 269.393 3.969 0 40 CHAB CC(C)c1ccc2nc([C@H]3CCCS3)[nH]c(=O)c2c1 84625232 HWURKUWBCOZLJQ-CYBMUJFWSA-N 274.389 3.615 0 40 CHAB COc1ccc(CCC(=O)NCc2ccc(C)cc2)cc1C 223629277 PSKDLIFCDGIISV-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB Cc1ccccc1Nc1ccc(C(=O)OC(C)C)cc1N 225416622 VSCVGIUOBVCOIF-UHFFFAOYSA-N 284.359 3.886 0 40 CHAB CC(C)Oc1cccc(CNC(=O)CCc2ccccc2)c1 46655863 SAAWHVWVRBLUOA-UHFFFAOYSA-N 297.398 3.723 0 40 CHAB COC(=O)c1ccc(-c2ccc(Br)cc2C)o1 40537916 PMLCXDPDCTUOSJ-UHFFFAOYSA-N 295.132 3.804 0 40 CHAB Cc1cc(C23CC4CC(CC(C4)C2)C3)cc2nn[nH]c12 226303627 ASRMMWIMXGDXDI-UHFFFAOYSA-N 267.376 3.734 0 40 CHAB Cc1cc(C)nc(N[C@H](C)c2ccc(F)cc2F)n1 97091520 XMEMTFWYSUQBPX-SNVBAGLBSA-N 263.291 3.545 0 40 CHAB CSc1cc(OCc2ccccc2)c(C(=O)O)s1 96510933 WXBYJXHOEFOHGS-UHFFFAOYSA-N 280.370 3.747 0 40 CHAB CCOc1ccc(CNCc2ccc(F)s2)cc1 256050493 FFOHHNIAABQBTN-UHFFFAOYSA-N 265.353 3.576 0 40 CHAB C[C@]12CC[C@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 263635670 BTTWKVFKBPAFDK-QNQMUUSYSA-N 290.447 3.671 0 40 CHAB O=C(O)c1ccc(CNc2ccc(C3CCC3)cn2)cc1 263397804 HDXQFTQHVMUCLE-UHFFFAOYSA-N 282.343 3.659 0 40 CHAB CCc1c(-c2ccccc2)[nH]c2cc(OC)ccc2c1=O 685938707 SIDMUEQADNBISS-UHFFFAOYSA-N 279.339 3.766 0 40 CHAB Cc1nc(Nc2ccc(C)c(F)c2)cc(C(F)F)n1 1888879417 PXMIQIWGNPVTPD-UHFFFAOYSA-N 267.254 3.914 0 40 CHAB CCCCCNC(=S)Nc1ccccc1Cl 13818875 WBQFYPGYLSVCCN-UHFFFAOYSA-N 256.802 3.817 0 40 CHAB Cc1cc(C(=O)Nc2cccc(C)c2C)c2c(C)noc2n1 14179804 JFBZPCMJVUMXKM-UHFFFAOYSA-N 295.342 3.709 0 40 CHAB S=c1s/c(=C\c2ccccc2)c2nc3ccccc3n12 1563135 VIPCGMJNRHDKFZ-UVTDQMKNSA-N 294.404 3.826 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1C 32666247 JOPOUHVEBRESOI-PBFPGSCMSA-N 271.404 3.730 0 40 CHAB CCOC(=O)CCc1c[nH]c2cccc(C(F)(F)F)c12 259353134 CSTMTGLDMYYCHE-UHFFFAOYSA-N 285.265 3.682 0 40 CHAB CC[C@@H](NC[C@@H](O)c1ccccc1)c1ccc(F)cc1 35601280 IFGFCXZBEYKXFF-IAGOWNOFSA-N 273.351 3.600 0 40 CHAB COc1ccc(-c2cc(CN3CCC[C@H](C)C3)on2)cc1 4776603 CFGZHDKSMHPDJF-ZDUSSCGKSA-N 286.375 3.582 0 40 CHAB COC(=O)CCCCC(=O)c1ccccc1C(C)C 575357377 FPBFFFUZDVFGOI-UHFFFAOYSA-N 262.349 3.726 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(Br)c1 3195056 RPCLEUQDNJREQQ-QWRGUYRKSA-N 296.208 3.852 0 40 CHAB C[C@H](NC(=O)C1CCC1)c1ccc(OC(F)(F)F)cc1 40074327 KKPOIPAJQHQKQX-VIFPVBQESA-N 287.281 3.563 0 40 CHAB CC(C)Cc1ccc([C@@H](C)NC(=O)C2CCC2)cc1 40159560 RLHNWLLVEAGHOO-CYBMUJFWSA-N 259.393 3.862 0 40 CHAB Cc1ccc(CSCC(=O)NCCc2ccccc2)cc1 262810 UULQZELYPOFXBS-UHFFFAOYSA-N 299.439 3.587 0 40 CHAB CCOC(=O)c1cc(-c2ccc(C(C)C)cc2)on1 1857794072 HZTKHMCVJGTGKL-UHFFFAOYSA-N 259.305 3.642 0 40 CHAB O=C1[C@@H](Cc2ccc(F)cc2)Sc2nc3ccccc3n21 34372 RKSSJIOPLVMIQL-CQSZACIVSA-N 298.342 3.533 0 40 CHAB COc1ccc(Sc2nnc(-c3ccccc3)o2)cc1 332130 AQMOEIHQOWLYQD-UHFFFAOYSA-N 284.340 3.896 0 40 CHAB CCN(CC)c1ccc(C[C@H]2Cc3ccccc3[C@@H]2O)cc1 1621073 LQZWCVZVPZHHTD-FXAWDEMLSA-N 295.426 3.981 0 40 CHAB C[C@H]1CCCCN1CCCSC(=O)c1ccccc1 1706774 WWWKIGOKQIQJRK-AWEZNQCLSA-N 277.433 3.825 0 40 CHAB c1ccc(N2N=N[C@H]3CCCC[C@@]32N2CCCCC2)cc1 1720268 UETWMCKMAXGEOO-IRXDYDNUSA-N 284.407 3.999 0 40 CHAB CCc1ccc(-c2csc(NC(=O)C(C)C)n2)cc1 3289723 QZAKWGKOMBZODX-UHFFFAOYSA-N 274.389 3.967 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1 6468187 BHLSQXPDIPIYIW-ZWNOBZJWSA-N 250.317 3.526 0 40 CHAB C[C@H]1CCC[C@@H](NC(=S)Nc2ccc(F)cc2)[C@@H]1C 6795717 HDVXYNKRVGGROH-MISXGVKJSA-N 280.412 3.937 0 40 CHAB Cc1ccccc1CNC(=O)COc1ccc(C(C)C)cc1 7312976 QPPJGLMSPBZWQS-UHFFFAOYSA-N 297.398 3.814 0 40 CHAB C[C@@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)O 21964964 MWPVGPUGWCAROK-SNVBAGLBSA-N 299.351 3.815 0 40 CHAB CCc1nc(C)c([C@H](C)N(C)Cc2cccnc2)s1 76040644 OYFITAIAKMLPSI-LBPRGKRZSA-N 275.421 3.602 0 40 CHAB Oc1nc(C(F)(F)F)ccc1-c1ccc(F)cc1 47204638 XEOIITOOQAKGDE-UHFFFAOYSA-N 257.186 3.612 0 40 CHAB O=C(Nc1nc2ccccc2s1)c1cc(Cl)ccn1 22586294 PGYOUIZJRBSTOG-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB Cc1cc(Br)cc(C)c1NC(=O)C(F)(F)F 57316782 FDRFFKBDSBHVMS-UHFFFAOYSA-N 296.086 3.567 0 40 CHAB CC[C@@H]1CCCN([C@H](C)c2nnc(-c3cccs3)o2)C1 106624463 NDHSCGIHGZQIJT-VXGBXAGGSA-N 291.420 3.981 0 40 CHAB COc1ccccc1CNc1ncnc2cc(Cl)ccc12 1405675 AVFORMQVVOKGEA-UHFFFAOYSA-N 299.761 3.904 0 40 CHAB CCOc1ccccc1CNC(=O)c1cc(C)ccc1C 53163415 COQUEJFLOIQFMH-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB CC(=O)Nc1cccc(NC(=O)CC2CCCCC2)c1 28189901 NIPWTOWTLYWDFS-UHFFFAOYSA-N 274.364 3.554 0 40 CHAB COc1cccc(CCC(=O)c2cc(F)c(F)c(F)c2)c1 2516537 NOTDCTFLTIAJBW-UHFFFAOYSA-N 294.272 3.928 0 40 CHAB Cc1cc(C)c2[nH]/c(=N/C3=NCCCCC3)sc2c1 6183459 MAZUPPVPCMDNFS-UHFFFAOYSA-N 273.405 3.719 0 40 CHAB O=C(N[C@@H]1CCSc2c(F)cccc21)C1CCCC1 15513225 VLGUFZANUIOOHK-CYBMUJFWSA-N 279.380 3.669 0 40 CHAB COc1ccc(OC)c(NC(=O)/C=C/c2cccc(C)c2)c1 9114777 OSEZZZDMJSRBSV-JXMROGBWSA-N 297.354 3.664 0 40 CHAB CCCC(=O)Nc1ccc(-c2csc(NC)n2)cc1 8225501 OJWMPNZNSICFBH-UHFFFAOYSA-N 275.377 3.590 0 40 CHAB CCS[C@@H]1CCCCN(Cc2cnc(Cl)s2)C1 78689024 LKKSKCAGRKXUME-SNVBAGLBSA-N 290.885 3.904 0 40 CHAB CC(C)[C@@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 79070418 NFIQJVPDWVDDDO-GDBMZVCRSA-N 289.444 3.522 0 40 CHAB CC[C@@H](NCc1ccc(C(C)C)cc1)c1cncn1C 95996308 ZRMUNANHRBLFBF-MRXNPFEDSA-N 271.408 3.784 0 40 CHAB Cc1ccc([C@@H](C)NCc2ccc(F)c(F)c2)o1 34993672 SROUCYMJIVPFDH-SNVBAGLBSA-N 251.276 3.717 0 40 CHAB Cc1ccc2oc(-c3cncc(Br)c3)nc2c1 73636050 CLUTWECFBULJKJ-UHFFFAOYSA-N 289.132 3.961 0 40 CHAB CCCSCC(=O)c1ccccc1Br 37353418 YGFHYRWGEMHAGN-UHFFFAOYSA-N 273.195 3.775 0 40 CHAB CNc1cccc(-c2cc3ccccc3oc2=O)c1 226280684 SUVCUTREZWKICZ-UHFFFAOYSA-N 251.285 3.502 0 40 CHAB CCOc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1C 225854911 HFKSHXLRUPMOCZ-AWEZNQCLSA-N 295.382 3.985 0 40 CHAB CC[C@]1(C)Oc2ccc(NCc3ccccn3)cc2O1 195574624 JKCZDFYHPPEFTH-MRXNPFEDSA-N 270.332 3.591 0 40 CHAB COc1ccc2cc([C@H](O)c3ccc(C)o3)ccc2c1 49956084 OBAFVRKBGPNVTL-KRWDZBQOSA-N 268.312 3.832 0 40 CHAB Cn1cccc1CN[C@@H]1CC(C)(C)Oc2cc(F)ccc21 89917935 NJEFZUUWYOFUQN-OAHLLOKOSA-N 288.366 3.556 0 40 CHAB Clc1ccc([C@H]2CCN2Cc2cncs2)cc1 93686011 UNLZMDQOXGXYQX-CYBMUJFWSA-N 264.781 3.744 0 40 CHAB CCOc1cc(C)c(NC(=O)CC(F)(F)F)cc1C 330031906 FSRAIOCQSTWUCE-UHFFFAOYSA-N 275.270 3.593 0 40 CHAB CCOC(=O)c1ccc(-c2ccccc2)nc1C(F)F 96529310 KKOYFUQUFFLHDO-UHFFFAOYSA-N 277.270 3.863 0 40 CHAB CC(=O)c1c(O)n(Cc2ccccc2)c2ccc(F)cc12 96026261 UNWWRJPGYDNKDL-UHFFFAOYSA-N 283.302 3.737 0 40 CHAB CC[C@@](C)(NC(=O)CCc1ccsc1)c1nccs1 96416601 LAPOVOPVJLUAMX-CQSZACIVSA-N 294.445 3.579 0 40 CHAB O=c1cc(-c2ccc(O)cc2)oc2ccc(Cl)cc12 95869795 SVMNUVYVZFGKRT-UHFFFAOYSA-N 272.687 3.819 0 40 CHAB Cc1ccsc1-c1nnc(SCc2ccccn2)o1 69567620 GPICZIGAPRYSNS-UHFFFAOYSA-N 289.385 3.794 0 40 CHAB CSc1ccc(NC(=O)Nc2cccc(C)n2)cc1 1741796 BDRWPPGJENCYLQ-UHFFFAOYSA-N 273.361 3.756 0 40 CHAB COc1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cc1 41465153 LCYLVAOHYJKAIS-UHFFFAOYSA-N 288.656 3.824 0 40 CHAB O=C(NCC1=CCCCC1)c1ccc(Br)cc1 223374155 LBYCYCOLGYNXKL-UHFFFAOYSA-N 294.192 3.679 0 40 CHAB O=C(Nc1cccc(Cl)c1)n1cnc2ccccc21 5532819 VNMQQVGQAGRZMC-UHFFFAOYSA-N 271.707 3.770 0 40 CHAB CC(C)c1ccccc1NC(=O)CCc1ccco1 12599515 JOSJOXDGJIREJC-UHFFFAOYSA-N 257.333 3.974 0 40 CHAB Clc1ccc(-c2ncc(/C=C/c3ccncn3)cn2)cc1 157260003 BRILXMPHZRSNOP-LZCJLJQNSA-N 294.745 3.757 0 40 CHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC2CCCCC2)c1 8041504 MBSMDRWWWNQZMJ-AWEZNQCLSA-N 275.392 3.520 0 40 CHAB CCOC(=O)c1c(C)[nH]c(-c2csc(C3CC3)n2)c1C 28334891 GVWWEUTZZGFDJZ-UHFFFAOYSA-N 290.388 3.809 0 40 CHAB CCn1/c(=N\C(=O)C2CCCCC2)sc2ccccc21 12180877 OJJYJOJEHNZXBQ-WUKNDPDISA-N 288.416 3.730 0 40 CHAB CCCCCc1ccc(C(=O)CCC(=O)OC)cc1 410004417 MANLQRUKDGXMSV-UHFFFAOYSA-N 262.349 3.555 0 40 CHAB O=C(NCc1ccccc1)c1ccc(F)c2ccccc12 3153514 GBOYNIORDBTKPD-UHFFFAOYSA-N 279.314 3.909 0 40 CHAB COc1ccc(C2=CCN(C(=O)c3ccsc3)CC2)cc1 40542374 BPLHUDWLCVIDMM-UHFFFAOYSA-N 299.395 3.686 0 40 CHAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)NCC2 20506945 DRUZNOUZPRHPOS-IBGZPJMESA-N 297.398 3.719 0 40 CHAB C[C@@H](CC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 296990 JEPMPPZEWSYCGJ-ZDUSSCGKSA-N 282.339 3.834 0 40 CHAB CCc1ccc2ncnc(NCc3ccc(OC)cc3)c2c1 32541105 TUAIVNXWVBBVFE-UHFFFAOYSA-N 293.370 3.813 0 40 CHAB CC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 364491 CKMZNVUHFWBZOE-UHFFFAOYSA-N 285.734 3.613 0 40 CHAB Cc1ccc(CNC(=O)c2cc(C)ccc2C)cc1 514718 VQTAZMDOYMPXKB-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB CCCC[C@H](CC)CNC(=O)Cc1cccc(F)c1 60612970 SJXDBUMNYCQMCM-ZDUSSCGKSA-N 265.372 3.701 0 40 CHAB C[C@H](CCc1ccco1)NC(=O)N(C)Cc1ccsc1 32795203 WBDWLPCZTQYYDQ-GFCCVEGCSA-N 292.404 3.504 0 40 CHAB CC[C@@H](C)OC(=O)c1ccccc1C(=O)O[C@H](C)CC 1694751 HAPGVMADJBQOGC-VXGBXAGGSA-N 278.348 3.597 0 40 CHAB CC(C)OC(=O)c1ccc(-c2cccc(C=O)c2)cc1 2528981 LFVMGXBSYOBJSG-UHFFFAOYSA-N 268.312 3.731 0 40 CHAB CC1=C(C)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2C1 6378311 FUSWZQXPUSGYPO-KBPBESRZSA-N 289.762 3.576 0 40 CHAB COc1ccccc1/C=C/C(=O)NC1CCCCCCC1 6584018 IVWHYJWTQXAZAH-BUHFOSPRSA-N 287.403 3.938 0 40 CHAB CSc1cccc(NS(=O)(=O)c2ccc(C)s2)c1 8746752 ZNDOUWHGFKSEMG-UHFFFAOYSA-N 299.442 3.579 0 40 CHAB O=Cc1cc(-c2ccccc2)ccc1Br 59535386 KBDRVBHOXVVOPL-UHFFFAOYSA-N 261.118 3.929 0 40 CHAB CCCN(CC1CC1)C(=O)Nc1cccc(C(C)=O)c1 41639171 SRQWBEBGDBFFNM-UHFFFAOYSA-N 274.364 3.543 0 40 CHAB c1ccc2c(c1)CC[C@@H](Nc1ccc3cn[nH]c3c1)C2 23549927 BHVZOQFRZPLJMA-OAHLLOKOSA-N 263.344 3.532 0 40 CHAB COc1ccc([C@H]2OC3=Nc4ccccc4NC3=C2O)cc1 103921978 WTRRADZBMBKYKZ-MRXNPFEDSA-N 294.310 3.692 0 40 CHAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1 1570192 POCLMZTYGVKREZ-UHFFFAOYSA-N 259.736 3.911 0 40 CHAB COc1ccc(-n2nc(Cl)nc2-c2ccc(C)cc2)cc1 22125901 JRGQNDSHOLLHMG-UHFFFAOYSA-N 299.761 3.905 0 40 CHAB Cc1cc(C)c2nc(NCc3ccccn3)sc2c1 26422471 VJPXCEJDGKRNGY-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB O=Cc1sc(N2CCCCC2)nc1-c1cccs1 3319055 WYNISQYKXXYJSY-UHFFFAOYSA-N 278.402 3.674 0 40 CHAB CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)s1 12984694 YLFDQTCTSQPXSP-CQSZACIVSA-N 299.395 3.710 0 40 CHAB C[C@H]1CCCC[C@H]1n1c(-c2cccnc2)n[nH]c1=S 13142545 PUJQPRBCIATNGV-CMPLNLGQSA-N 274.393 3.754 0 40 CHAB Cc1cc(CSc2ncnc3sc(C)c(C)c23)no1 8735825 RJRJBZBQEJVDCG-UHFFFAOYSA-N 291.401 3.897 0 40 CHAB CCOCCCNc1nc(CC)nc2c1oc1ccccc12 5196403 CJMUKGLTQUUOJR-UHFFFAOYSA-N 299.374 3.777 0 40 CHAB CC(=O)Nc1ccc(/C=C/c2nc3ccccc3o2)cc1 5383148 MODPAIGKYOSDMX-DHZHZOJOSA-N 278.311 3.957 0 40 CHAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCCCCCC2)c1 14915727 AVDFAGFWISEQEH-INIZCTEOSA-N 288.435 3.897 0 40 CHAB CC(C)c1nc2cc(NC(=O)Cc3ccccc3)ccc2[nH]1 5847367 ZSDWWPJJPDYXLN-UHFFFAOYSA-N 293.370 3.868 0 40 CHAB CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(C)cc1 80345308 SHAUWSCZZMIGJS-QGZVFWFLSA-N 297.398 3.891 0 40 CHAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1Cl 16017709 BCJMEACDVDLZMP-NSHDSACASA-N 291.753 3.899 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1nc2ccccc2s1 7767058 JTQLXRRAZQTQDP-UHFFFAOYSA-N 286.331 3.617 0 40 CHAB COC(=O)CCSCc1ccc(Cl)c(Cl)c1 17008039 YBBVGEONLRZQTA-UHFFFAOYSA-N 279.188 3.790 0 40 CHAB C[C@@H](N[C@@H](c1ccccc1)c1ccccn1)c1ccccn1 95349351 RDOQRUWYOYYMFD-BEFAXECRSA-N 289.382 3.917 0 40 CHAB C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1 67791612 WAVXTGYDZVJJKF-LLVKDONJSA-N 291.753 3.899 0 40 CHAB CCc1cccnc1-c1noc([C@@H](F)Cc2ccccc2)n1 545713681 AFDHCFRNGWGHLN-AWEZNQCLSA-N 297.333 3.947 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)N1CCc2ccccc2C1 20238428 VYDPWAVFUQOJJL-AWEZNQCLSA-N 297.423 3.752 0 40 CHAB CCCn1nc(C)cc1NC(=O)[C@H](CC)c1ccccc1 32609932 KIFINIXQDUVGMZ-OAHLLOKOSA-N 285.391 3.734 0 40 CHAB Cc1ccc(CCCNC(=S)Nc2cccc(C)n2)cc1 225389961 WGDWNGOPRBSJKR-UHFFFAOYSA-N 299.443 3.618 0 40 CHAB O=Cc1cn(C(=O)OCc2ccccc2)c2c(F)cccc12 199814630 YRAFQBUFBQHOLV-UHFFFAOYSA-N 297.285 3.778 0 40 CHAB O=C(CC1=CCCCC1)N1CCC[C@H]1c1ccncc1 84615112 FFAIAOCJYRYHAC-INIZCTEOSA-N 270.376 3.636 0 40 CHAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(C)cc1C 225464500 SICYBRZMSHNNRI-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB O=C(Nc1ccccc1)c1snnc1-c1ccc(F)cc1 225777714 LOQDSOFAWPLHAP-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB CCOC(=O)CCCOc1ccc(Cl)c(Cl)c1 95734154 OXDBJQHKIXUOBC-UHFFFAOYSA-N 277.147 3.716 0 40 CHAB CCn1cc(NCc2ccc(F)s2)c(C(F)(F)F)n1 256054712 XLWBQTLJKGZSTC-UHFFFAOYSA-N 293.289 3.735 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1cc(F)c(Cl)cc1Cl 42673842 RHFOZDXALJMSIU-BIIVOSGPSA-N 290.165 3.966 0 40 CHAB CO[C@H](C)c1cccc(N[C@H](C)C2CCN(C)CC2)c1 97045957 DPSWZMCJXIQDMK-ZIAGYGMSSA-N 276.424 3.536 0 40 CHAB CC[C@H](C(=O)N1CCC2(CC1)CC2(F)F)c1ccccc1 650599808 BVBKPAKGXGVQCV-AWEZNQCLSA-N 293.357 3.828 0 40 CHAB COc1cccc([C@@H](O)CSc2ccccc2OC)c1 83635759 JEOKDCTUGUIKRC-AWEZNQCLSA-N 290.384 3.530 0 40 CHAB C=Cn1c(C(=O)C(F)(F)F)ccc1-c1ccco1 5377616 GJSBDJADBYPVLY-UHFFFAOYSA-N 255.195 3.594 0 40 CHAB Cc1c(Cl)c(=O)c(Cl)c(C)n1Cc1ccccc1 5724050 FFBVRKQWVZFJIF-UHFFFAOYSA-N 282.170 3.820 0 40 CHAB CC[C@H]1CCCCN1C(=O)Nc1cc(OC)ccc1OC 13320380 FJPDGYOQBLRWTB-LBPRGKRZSA-N 292.379 3.500 0 40 CHAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccccc2)cc1 15340065 BIEJQHQTSUYQJG-OAHLLOKOSA-N 295.382 3.835 0 40 CHAB Cc1ccc2c(C)c(C(=O)N[C@@H](C)c3cccnc3)oc2c1 19217992 KJTQUKFSECEDDG-ZDUSSCGKSA-N 294.354 3.936 0 40 CHAB N[C@@H](c1cccs1)c1ccccc1Br 19841940 PFZWSTXOJJELPA-LLVKDONJSA-N 268.179 3.559 0 40 CHAB Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 19943607 KYTZWGOMLHQANQ-UHFFFAOYSA-N 296.775 3.725 0 40 CHAB Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 5541506 GKUFSWYJXWLGHS-IZZDOVSWSA-N 255.292 3.786 0 40 CHAB c1ccc(C2(c3ccccc3)C[C@H]2c2ncc[nH]2)cc1 5117342 YHOXISQVIBOZGS-INIZCTEOSA-N 260.340 3.883 0 40 CHAB in-vitro CSc1ccc2nc(NC(=O)c3ccco3)sc2c1 5299110 GRAAILSWUAGQHZ-UHFFFAOYSA-N 290.369 3.864 0 40 CHAB C[C@H](Cc1ccoc1)NC(=O)c1ccc(C(C)(C)C)cc1 206661964 SXGKHAPZHJGNRE-CYBMUJFWSA-N 285.387 3.938 0 40 CHAB O=c1cc(CCc2ccccc2)oc2ccccc12 897928 VNZNWFQJBFLELF-UHFFFAOYSA-N 250.297 3.578 0 40 CHAB biogenic,in-vitro C[C@@H]1CCCCN1CCCCOc1cccc(C=O)c1 217794735 BCPZZIWQQIEYOY-OAHLLOKOSA-N 275.392 3.533 0 40 CHAB CC1(C)C[C@]2(C)CC3=C([C@H](CO)C(C)(C)C3)[C@@](CO)(C1)C2 101044915 HFSMBLYAAAYWSS-JVPBZIDWSA-N 292.463 3.920 0 40 CHAB O=C(CSc1ccccn1)Nc1ccc(F)c(Cl)c1 31450 YEOVZBUCLVYYJL-UHFFFAOYSA-N 296.754 3.605 0 40 CHAB Cc1ccc(C(=O)N2CCCc3ccccc32)c(C)c1 514542 HLIKYKRVHKQKFG-UHFFFAOYSA-N 265.356 3.896 0 40 CHAB C[C@H](CNC(=O)CCC1CCCC1)c1ccccc1 46633567 RQGXQTXPLLQTOF-CQSZACIVSA-N 259.393 3.877 0 40 CHAB C[C@H]1O[C@](C)(c2ccc(Cl)cc2)OCC1(C)C 1689342 VHDIAVQIUIBCRU-QMTHXVAHSA-N 254.757 3.974 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccco1 32779639 MTBHWZGSFFUPLE-NSHDSACASA-N 292.766 3.836 0 40 CHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccco1 32787281 GTDICBZPFTUJKR-SNVBAGLBSA-N 263.724 3.766 0 40 CHAB O=c1c(/C=C/c2nc3ccccc3[nH]2)coc2ccccc12 3849552 XGOJXERVFIYCHB-MDZDMXLPSA-N 288.306 3.840 0 40 CHAB O=C1CCCC[C@H]1Sc1nc2ccccc2s1 4008605 NSARJIPVVYSBSL-GFCCVEGCSA-N 263.387 3.900 0 40 CHAB CCc1ccc(CCC(=O)Nc2cccc(F)c2)cc1 8274773 UFCJUSQGOVTBJG-UHFFFAOYSA-N 271.335 3.959 0 40 CHAB COc1ccc(CCCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 61111534 IXYZJCUDPAWHPW-RHSMWYFYSA-N 289.419 3.713 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 509933 DHVJHBGQGYRHAI-CQSZACIVSA-N 288.347 3.585 0 40 CHAB CCCc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1 24988356 VZFZXDFRRKJSGO-KRWDZBQOSA-N 298.361 3.862 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 100475368 DUTDNCVTPKVCGV-KKZNHRDASA-N 267.731 3.854 0 40 CHAB Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1C#N 34761163 VDFGCBODBVCSRU-UHFFFAOYSA-N 290.366 3.850 0 40 CHAB CC(C)(C)CC(C)(C)NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 107325676 ZOZSEYUMTZPSPD-RWMBFGLXSA-N 282.497 3.854 0 40 CHAB O=C(Sc1nncc2ccccc12)c1ccccc1 3218536 MEJXYGURDNECKG-UHFFFAOYSA-N 266.325 3.562 0 40 CHAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O 118935571 YSIYIHBXKQHUCK-NMIHNWPRSA-N 292.463 3.751 0 40 CHAB COc1ccc2c(Cl)c(C(=O)NC(C)C)sc2c1 26965941 LJPQRHWNELUQJC-UHFFFAOYSA-N 283.780 3.702 0 40 CHAB CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 48249866 LMEKPDQWEHYURM-XEZPLFJOSA-N 259.393 3.718 0 40 CHAB CCNC(=O)N1c2c(C)cccc2C(C)=CC1(C)C 10157711 FUINDFNJDAFCEC-UHFFFAOYSA-N 258.365 3.726 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)no2)cc1 27664262 ZCDKCKOBRGUZOG-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB O=C(O)[C@H](CSc1ccccc1)c1ccccc1 62764529 GRLOFCAHYJQBGZ-CQSZACIVSA-N 258.342 3.647 0 40 CHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC(C)C 113951029 QVKGUZMEEJQMAA-QGZVFWFLSA-N 285.387 3.769 0 40 CHAB CC(C)(C)Nc1ccccc/c1=N\Cc1ccccc1 2475589 NHBYHSXWIAWQGH-UHFFFAOYSA-N 266.388 3.998 0 40 CHAB Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N 11568417 YGYIXXSODUCIOB-SSDOTTSWSA-N 252.770 3.792 0 40 CHAB in-vitro COc1cccc(CCC(=O)c2cccc(OC)c2)c1 2516495 YRHPNJLERNYQTQ-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 5578592 IQJGXLOUXAABKQ-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB O=C(O)[C@H](c1cccc(Cl)c1Cl)N1CCCCC1 37361991 NOXPORYJTJYRCX-LBPRGKRZSA-N 288.174 3.605 0 40 CHAB C[C@@H](NCc1ccncc1)C12CC3CC(CC(C3)C1)C2 4959765 DTFSRLNARQAVEK-MZHSRFCDSA-N 270.420 3.776 0 40 CHAB Cc1cccc(C(=O)Oc2ccc(-c3ccccc3)nn2)c1 408527494 FUKINNJSXGUVHZ-UHFFFAOYSA-N 290.322 3.671 0 40 CHAB Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2nc(C)cs2)c1 7460132 HZASKQCUUIEEGK-LBPRGKRZSA-N 289.404 3.507 0 40 CHAB Cc1ccc(NS(=O)(=O)c2cccs2)c(Cl)c1 7403935 VKZPZLAXFRJYMW-UHFFFAOYSA-N 287.793 3.511 0 40 CHAB O=C(CCc1ccccc1)Nc1cccc2ncccc12 7757879 DSMKVTZSLZMHSC-UHFFFAOYSA-N 276.339 3.806 0 40 CHAB CC(=O)Nc1ccccc1CN(C[C@@H]1C[C@H]1C)C(C)C 93661792 XXXLBZURADZAMR-CJNGLKHVSA-N 274.408 3.511 0 40 CHAB O=C(N[C@H](c1nccs1)C1CC1)c1cccc2[nH]ccc12 89774344 MKFXZORGJDZDMX-AWEZNQCLSA-N 297.383 3.506 0 40 CHAB CCCc1nnc(CSc2nnc(C3CC3)s2)s1 89960566 NBBWKVKMRSDTTL-UHFFFAOYSA-N 298.462 3.512 0 40 CHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccn1 27974656 TXENUMHPGPXLEJ-CYBMUJFWSA-N 292.338 3.641 0 40 CHAB Cc1cc(Br)c2cccc(Cl)c2n1 32099869 NMFXZBNYUVGOIM-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB CCN(Cc1cccs1)C(=O)c1ccc(F)cc1F 39975975 JCTKETOZKCRMJA-UHFFFAOYSA-N 281.327 3.689 0 40 CHAB Clc1ccc(Cl)c2[nH]c(-c3cccnc3)nc12 73634651 GIIAKTWFHPRIMM-UHFFFAOYSA-N 264.115 3.932 0 40 CHAB COc1ccc(Cn2cccc3cc(C(F)F)nc2-3)cc1 72398484 MHBAXWWWPWYLJU-UHFFFAOYSA-N 288.297 3.982 0 40 CHAB COc1c(Cl)cc(C(C)(C)C)cc1C(=O)N1CCCC1 72206547 DZINVQRGXFLEAD-UHFFFAOYSA-N 295.810 3.882 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CC=C(c2ccccc2)CC1 32994439 DBPSWUGXBGWSJF-QGZVFWFLSA-N 267.372 3.659 0 40 CHAB Cc1cc([C@H]2CCCN2Cc2ccccc2)ccn1 72219448 XLRWYEXAQQCLGG-QGZVFWFLSA-N 252.361 3.727 0 40 CHAB Cc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 36666809 YCCQZWRGQRJUIJ-UHFFFAOYSA-N 281.105 3.716 0 40 CHAB c1ccc(N2CCOc3nc4ccccc4cc3C2)cc1 72392258 VOAZTOIJJQNSAY-UHFFFAOYSA-N 276.339 3.634 0 40 CHAB O=C(O)[C@H](Cc1ccccc1Cl)OCc1ccccc1 225057855 YXNSATSPJWUQRT-HNNXBMFYSA-N 290.746 3.553 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2)o1 226304650 DOCABOFQJZHFHF-BETUJISGSA-N 298.386 3.932 0 40 CHAB CC[C@@H](C(=O)O)N1c2ccccc2C(C)=CC1(C)C 223196169 LXVHDFGBDCGFKZ-ZDUSSCGKSA-N 259.349 3.552 0 40 CHAB CCCC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 96446753 ZGEMMPDUBRADSX-ZDUSSCGKSA-N 268.360 3.726 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](N)CC[C@@]43C)[C@H]1CC[C@@H]2O 253500991 WMEBIWWUBWHAOJ-YPQZYRTGSA-N 291.479 3.717 0 40 CHAB CCN(CC)C(=O)c1ccc(N(C)C2CCCCC2)cc1 58007302 WVEXXBMICOBZPA-UHFFFAOYSA-N 288.435 3.938 0 40 CHAB Cc1nc2ccc(NC(=O)N3CCC(C)CC3)cc2s1 6223699 BJTOWRJORHIXGZ-UHFFFAOYSA-N 289.404 3.869 0 40 CHAB CS[C@H]1NC=Nc2c1sc(=S)n2-c1ccccc1 5733252 SBHBUSYDLGLOOS-LLVKDONJSA-N 293.442 3.893 0 40 CHAB CC1(C)N=C(c2ccccc2)[C@@H]2[C@H](c3ccccc3)N21 13139734 SMTPRAOVWHJEDI-QJNHQHDKSA-N 262.356 3.651 0 40 CHAB COc1ccc(CC(=O)Nc2cccc(C)c2C)cc1C 13972034 PUGITUPEYGZMQT-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB c1ccc(-c2ccc(-c3noc4c3CNCC4)cc2)cc1 19200223 NDUPVZLQAFWMNS-UHFFFAOYSA-N 276.339 3.654 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1cc(C)nc(C2CC2)n1 1775995856 LGZNUIAXEQXJEP-GASCZTMLSA-N 269.392 3.740 0 40 CHAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccccn1 32924372 XSGHCXQFXPTQBR-OAHLLOKOSA-N 286.400 3.804 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cn(C)c3ccccc23)C1 5265580 BSJVRBBCSGAOQB-CHWSQXEVSA-N 285.391 3.688 0 40 CHAB CC(C)CO[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 40091954 MYUUCOGFAKWXGX-CHWSQXEVSA-N 289.375 3.671 0 40 CHAB CC(C)CSc1nnc(C2CC2)n1Cc1ccco1 40456965 RTTUHIJIDHDAQE-UHFFFAOYSA-N 277.393 3.545 0 40 CHAB CCCc1ccc(-c2ccc(C(=O)OCC)cc2)nc1 246190 AKTRNJFUKFHRBB-UHFFFAOYSA-N 269.344 3.878 0 40 CHAB Cc1cccc(-c2nc3cc(Cl)ccc3c(=O)o2)c1 89125 XWVVKQUPUSOTAM-UHFFFAOYSA-N 271.703 3.817 0 40 CHAB Cc1cccc(NC(=O)COc2ccccc2Cl)c1C 94298 DZZFQGFVBPQWNC-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB Oc1ccc(Br)cc1C1SCCS1 165998 DFSLMGQWCGFHRF-UHFFFAOYSA-N 277.208 3.633 0 40 CHAB CCCC[C@H](CC)[C@@H](O)P(=O)(OCC)OCC 1600145 LYZYTTBSSWSJDI-RYUDHWBXSA-N 266.318 3.787 0 40 CHAB O=C1OCCCC1(Cc1ccccc1)Cc1ccccc1 1706784 SBMAQUNGJDZUMP-UHFFFAOYSA-N 280.367 3.795 0 40 CHAB Cc1oc(-c2ccccc2)cc(=O)c1C(=O)c1ccccc1 1723191 IDAOALJTNZUCAB-UHFFFAOYSA-N 290.318 3.846 0 40 CHAB CCCCC(=O)O[C@@H](C)COc1ccccc1Cl 2046259 IPGSWUOJEFFMES-NSHDSACASA-N 270.756 3.841 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(CO)nn1-c1ccccc1 3166448 JLWZFHQAVNHAJN-ACJLOTCBSA-N 282.387 3.540 0 40 CHAB COc1ccc(NCc2ccc(O)c3ncccc23)cc1 4451457 XWZWXRPLZMZHCG-UHFFFAOYSA-N 280.327 3.561 0 40 CHAB CN(C(=S)Nc1ccc(F)cc1)C1CCCCC1 6638011 BOZMXYZSNWTJRX-UHFFFAOYSA-N 266.385 3.787 0 40 CHAB COc1ccc2[nH]c3c(NCCC(C)C)ncnc3c2c1 538311 WTBXQVPSESVXGD-UHFFFAOYSA-N 284.363 3.578 0 40 CHAB CCCc1nnc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)s1 27794619 CCYHTJJSQDDHTQ-ZYHUDNBSSA-N 293.436 3.668 0 40 CHAB CCc1c(C(=O)c2ccc[nH]2)oc2ccc(F)cc12 12753955 WXSITIBADFUYOS-UHFFFAOYSA-N 257.264 3.693 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(OC2CCCC2)c1 29028400 JDXOJYLZNQXQLU-NHYWBVRUSA-N 259.349 3.603 0 40 CHAB O=C(CCCc1ccccn1)Nc1cccc2cccnc12 69348852 GWRBDUWRBPSSAC-UHFFFAOYSA-N 291.354 3.591 0 40 CHAB COc1cccc(CC(=O)Nc2ccccc2Cl)c1 3483354 LAHMARZCJRTOLU-UHFFFAOYSA-N 275.735 3.530 0 40 CHAB CC[C@H](C)c1ccccc1NC(=S)NC(C)C 13793751 UTIGUJCCGALWEI-NSHDSACASA-N 250.411 3.895 0 40 CHAB CCCCn1nc(NC(=O)CC)c2cc3ccccc3nc21 5252701 VYGXKXXXKFYTCW-UHFFFAOYSA-N 296.374 3.733 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)s1 5573439 ZSZJWHKDAPHLMD-UHFFFAOYSA-N 251.738 3.962 0 40 CHAB O=C1CCCc2cc(NC(=O)Nc3ccccc3)ccc2N1 171446942 CTHSHTSHDJEWOY-UHFFFAOYSA-N 295.342 3.605 0 40 CHAB CC(C)c1ccc(CNCc2ccc(C(=O)O)cc2)cc1 7009359 HNPZWJJBLWSRGN-UHFFFAOYSA-N 283.371 3.798 0 40 CHAB CSCCC(=O)Nc1nc2ccc(Cl)cc2s1 7486018 YVENMRXIOKARQU-UHFFFAOYSA-N 286.809 3.641 0 40 CHAB CSCc1ccc(C(=O)Nc2cccc(F)c2)o1 9501664 AJZRNNKYGFQIFU-UHFFFAOYSA-N 265.309 3.534 0 40 CHAB O=C(CC1CCCC1)N(CC(F)(F)F)c1ccccn1 71853682 CVBQSJZPKUARKP-UHFFFAOYSA-N 286.297 3.557 0 40 CHAB Cc1ccc2nc(NCc3cccnc3)sc2c1 26422514 MLUXSXBMMYQCHJ-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB c1csc(CCCNCc2cnc(C3CCC3)s2)n1 95415498 GEODRZQZIWGFNK-UHFFFAOYSA-N 293.461 3.590 0 40 CHAB CCc1oc(C(=O)N(C2CC2)[C@H](C)c2ccccn2)cc1C 95414652 IGEPESZIFHWUSB-CYBMUJFWSA-N 298.386 3.911 0 40 CHAB C[C@@H]1CCCC[C@@H]1OCCNc1cnc2ccccc2n1 95951816 QMWNOOZMQJMRQJ-CJNGLKHVSA-N 285.391 3.637 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)n1 32776574 GHOPERMGRVBHBT-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB COc1ccc(CC(=O)c2cc(Cl)ccc2OC)cc1 38126149 ALJZBVVOUHYQIK-UHFFFAOYSA-N 290.746 3.783 0 40 CHAB C[C@@H](c1cccnc1)N(C)Cc1cccc2[nH]ccc12 183730937 HUXVSBNYTDQPCP-ZDUSSCGKSA-N 265.360 3.756 0 40 CHAB C[C@@H]1CS[C@@H](C=Cc2ccccc2[N+](=O)[O-])S1 3845018 FSFJFWRVPPIIFR-BXKDBHETSA-N 267.375 3.803 0 40 CHAB biogenic CCCCN1CCC[C@H]1c1ccc(SC)nc1 72216887 OHYXVVNRQYZVNA-ZDUSSCGKSA-N 250.411 3.741 0 40 CHAB O=C(NCCC1CCCCCC1)c1cccc(F)c1 224958407 CQVUGDBNIWXGNT-UHFFFAOYSA-N 263.356 3.916 0 40 CHAB CCCOc1cccc2oc(C(=O)OCC)c(C)c12 85395592 OOTRNPVIVRAKDV-UHFFFAOYSA-N 262.305 3.707 0 40 CHAB CSCc1cc(F)ccc1CNCc1cccc(O)c1 88751904 LFQOPQVNPALXSD-UHFFFAOYSA-N 291.391 3.684 0 40 CHAB Cc1cc(Cl)nc(Nc2ccc(C)c(F)c2)n1 44845926 PUZYWKVHJYHJSB-UHFFFAOYSA-N 251.692 3.630 0 40 CHAB COC(=O)[C@@H](C)N1c2ccc(C)cc2C(C)=CC1(C)C 223192306 CNYFJOWNDOXXKW-CYBMUJFWSA-N 273.376 3.558 0 40 CHAB S=C(NCCCc1ccco1)Nc1ccc(Cl)cc1 225804355 BDEDXSFMBRQUNK-UHFFFAOYSA-N 294.807 3.852 0 40 CHAB O=C(CCc1ccncc1)N1CCCCC[C@@H]1c1ccco1 96413204 WUVHNVHRLRCOHH-MRXNPFEDSA-N 298.386 3.751 0 40 CHAB O[C@H](c1ccc(Br)c(Cl)c1)C(F)(F)F 236585433 GRRMRHIHIKXJGB-SSDOTTSWSA-N 289.478 3.698 0 40 CHAB CCN(C)c1ccccc1NCc1nc(C)cs1 95448797 WWMWITNWYHLTEF-UHFFFAOYSA-N 261.394 3.520 0 40 CHAB Cc1ccc2c(c1)N([C@@H](C)C(=O)O)C(C)(C)C[C@H]2C 260621969 QDOZJVYTZZCBJI-NEPJUHHUSA-N 261.365 3.560 0 40 CHAB Fc1cc(Br)ccc1-n1cnc2ccccc21 95915726 XAGJMZGRXHOKCE-UHFFFAOYSA-N 291.123 3.927 0 40 CHAB Oc1ccc(CSc2ccccn2)c2cccnc12 5800801 NXQFOGZBZAMMFR-UHFFFAOYSA-N 268.341 3.628 0 40 CHAB C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cccc(F)c1 12342211 UBNHRPVZGCZIMM-IHRRRGAJSA-N 293.382 3.634 0 40 CHAB Cc1cc(C(=O)c2ccc(Br)cc2)c(N)s1 13999061 YRBZNKHGRFERGW-UHFFFAOYSA-N 296.189 3.632 0 40 CHAB CCOc1cccc(CNC(=O)CCc2ccc(C)cc2)c1 19934445 VZPZAXVKPWFPKF-UHFFFAOYSA-N 297.398 3.643 0 40 CHAB Cc1cc2sc(NC(=O)C3CCCCC3)nc2cc1N 192912 VDAIYYYOCUODPT-UHFFFAOYSA-N 289.404 3.706 0 40 CHAB CCc1ccc(N[C@@H]2OC(=O)c3ccccc32)cc1 796157 VVOVRMSBPPBVBF-OAHLLOKOSA-N 253.301 3.530 0 40 CHAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1Cl 226346956 WUIBRUUEBRAASE-UHFFFAOYSA-N 278.714 3.622 0 40 CHAB FC(F)(F)c1nc2c(Cl)cc(Br)cc2[nH]1 5425276 GQUMVBCXDLOULU-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB CC(C)(C)c1nc2cc(NC(=O)c3ccncc3)ccc2o1 33215310 NTQVWODSSOMFJN-UHFFFAOYSA-N 295.342 3.773 0 40 CHAB Brc1cccc2sc(NC3CC3)nc12 34936114 MHMYSJZBOAOZDE-UHFFFAOYSA-N 269.167 3.633 0 40 CHAB O=C(c1cc(Cl)ccc1F)N1CCC[C@H]1c1ccc[nH]1 40433550 SXAXFEUOQMLQOA-AWEZNQCLSA-N 292.741 3.785 0 40 CHAB CC1=NN(C(=O)c2ccccc2)[C@H](c2ccccc2)C1 312620 OPNAUUUJLJIQOT-INIZCTEOSA-N 264.328 3.650 0 40 CHAB CCc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 134857 LVJVHQWAALLYPH-UHFFFAOYSA-N 289.400 3.667 0 40 CHAB Cc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1C 289645 YFIUPJAXWIQKBU-UHFFFAOYSA-N 279.343 3.512 0 40 CHAB Cc1ccccc1NC(=O)COc1ccc2c(c1)CCC2 2621181 CCEYHEQFDJQJCI-UHFFFAOYSA-N 281.355 3.501 0 40 CHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CCCCC1 8049053 WDUONMJKSOGCRQ-OAHLLOKOSA-N 295.810 3.946 0 40 CHAB FC(F)(F)CCN1CCC[C@H]1c1ccc2c(c1)OCO2 77280759 MOKBHXNGKOHVEH-NSHDSACASA-N 287.281 3.505 0 40 CHAB CC(=O)n1nccc1[C@@H](C)Oc1cccc(C(F)(F)F)c1 3016428 PDIYCTRPRHTZQH-SECBINFHSA-N 298.264 3.702 0 40 CHAB CC(C)N(CC1CCCCC1)c1nc(N)cs1 110753868 KACOZLNKQSDSRY-UHFFFAOYSA-N 253.415 3.520 0 40 CHAB Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)nc1 12545134 CFTMNZUESTYLPT-UHFFFAOYSA-N 294.276 3.590 0 40 CHAB Cc1ccc2sc(NCCCn3ccnc3)nc2c1C 34936044 AVIZYIDIUSSYHW-UHFFFAOYSA-N 286.404 3.612 0 40 CHAB Fc1cccc2c1N(Cc1nc3ccccc3o1)CCC2 25510738 UIZMCNVCFWZSGP-UHFFFAOYSA-N 282.318 3.920 0 40 CHAB O=Cc1c(SCc2ccccc2)ncn1-c1ccccc1 57218557 GWXHVCUVEQYPLE-UHFFFAOYSA-N 294.379 3.977 0 40 CHAB in-vitro O=C(CSc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100332798 SWHGHAGMKCRYNT-JTNHKYCSSA-N 295.835 3.737 0 40 CHAB CCCCC1CCC(C(=O)Nc2nonc2CC)CC1 27663372 BVOALNISTIHBRB-UHFFFAOYSA-N 279.384 3.567 0 40 CHAB CC(=O)c1ccccc1NCc1nc(-c2cccs2)no1 58282841 FLGWVQGEEMUFIM-UHFFFAOYSA-N 299.355 3.613 0 40 CHAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 59271607 FHFCUNBRCLXXNQ-CQSZACIVSA-N 288.734 3.631 0 40 CHAB c1ccc(Oc2ccc(C3CCNCC3)cc2)cc1 2527196 MTMOLUVQNWNTBV-UHFFFAOYSA-N 253.345 3.946 0 40 CHAB Cc1cccc(C)c1NC(=O)c1ccc(C(F)(F)F)nc1 12825524 ZIVUOZXTGYSFED-UHFFFAOYSA-N 294.276 3.970 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cc1ccccc1 3430449 OSRMXWWRQQNAAP-BBRMVZONSA-N 265.356 3.872 0 40 CHAB O=C(NCC1CC1)c1ccc(C2CCCCC2)cc1 13004405 HMDZKQGAIREBEB-UHFFFAOYSA-N 257.377 3.874 0 40 CHAB Cc1ccc(CN(C(=O)c2ccccc2)c2ccccn2)o1 8586584 JYSAEUGQSCPGTK-UHFFFAOYSA-N 292.338 3.830 0 40 CHAB Cc1n[nH]c(C)c1CN[C@@H](c1ccc(Cl)cc1)C1CC1 65473225 AKRAPELHNVXLPI-MRXNPFEDSA-N 289.810 3.921 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(F)cc1)c1cccs1 14016151 TZNVUZBSXGFUEI-SECBINFHSA-N 264.325 3.770 0 40 CHAB Cc1cc(C)c(C)c(Sc2ncnc3c2cnn3C)c1C 14216565 XGEJIAAMBASEFZ-UHFFFAOYSA-N 298.415 3.748 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)CCC2 7888899 KMZYXZHPBKWUIQ-UHFFFAOYSA-N 269.319 3.875 0 40 CHAB COc1ccc(C(C)=O)cc1CN1c2ccccc2C[C@@H]1C 8119043 AGASBICVYNMDDF-ZDUSSCGKSA-N 295.382 3.849 0 40 CHAB O[C@@H](c1cc2cc(Br)ccc2o1)C(F)(F)F 91356094 VPYITWMQQSIJGF-VIFPVBQESA-N 295.054 3.791 0 40 CHAB CC[C@H](C)c1nnc(-c2cnc3onc(C(C)C)c3c2)o1 71890721 KOERXFXCQZQLOI-VIFPVBQESA-N 286.335 3.910 0 40 CHAB CC[C@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)cc1 84734072 DSHLPNCDNJEMLA-ZBFHGGJFSA-N 287.382 3.641 0 40 CHAB CN(C)c1cccc([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)c1 98010449 OINXZCKSPQYETG-CRAIPNDOSA-N 298.430 3.772 0 40 CHAB CC(=O)Nc1ccc([C@H](C)NC2CCCCC2)cc1 181913232 SSWOCXZSOOJGAJ-LBPRGKRZSA-N 260.381 3.628 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCC(c2ccccc2)CC1 32908298 HFWMTWXQMSMVFD-HNNXBMFYSA-N 269.388 3.749 0 40 CHAB CCSc1ncnc2c1sc1nc(C)cc(C)c12 36559110 QOLDAIMZXQHSOM-UHFFFAOYSA-N 275.402 3.968 0 40 CHAB CC1CCN([C@H](CN)c2cc(Cl)cc(Cl)c2)CC1 37424717 BYAKMENAVNZXMC-CQSZACIVSA-N 287.234 3.725 0 40 CHAB O[C@H](c1ccc(Br)cc1)c1cc(F)cc(F)c1 40243320 TVLARBGTRPZQCH-CYBMUJFWSA-N 299.114 3.809 0 40 CHAB CCOC(=O)c1nc(-c2ccc(C)c(C)c2)cs1 42407061 LJXASBCPSHJBKE-UHFFFAOYSA-N 261.346 3.604 0 40 CHAB CCc1[nH]nc(N)c1-c1ccc(Cl)c(Cl)c1 41326318 WSFCCIBRWMUJQQ-UHFFFAOYSA-N 256.136 3.528 0 40 CHAB COc1ccc(CCC(=O)N(C)Cc2ccccc2)cc1C 222784412 JJJHMBABSWHIEP-UHFFFAOYSA-N 297.398 3.595 0 40 CHAB Clc1cc(-c2ccccc2)ccc1O[C@H]1CCNC1 42775003 YBVOBYCKZFVIGU-AWEZNQCLSA-N 273.763 3.748 0 40 CHAB CC1(C)CC(=O)[C@H]2C(c3cccc4ccccc34)=NN[C@@H]2C1 228920040 LKVVFJUYXUZCIV-WBVHZDCISA-N 292.382 3.521 0 40 CHAB Fc1cc(-c2ccccn2)ccc1OC(F)(F)F 95740168 YMCXYQOUFDOYED-UHFFFAOYSA-N 257.186 3.786 0 40 CHAB C[C@H]1C[C@@H](Nc2ccccc2C[S@](C)=O)CC[C@H]1C 230466263 XWSFVTKYFIVRCA-CFLYGVGMSA-N 279.449 3.802 0 40 CHAB CC(C)COc1c(C(=O)O)sc(Cl)c1Cl 96511023 WUWYXRMBSNLVJI-UHFFFAOYSA-N 269.149 3.788 0 40 CHAB O=C(/C=C/c1ccccc1)N1CCCC[C@H]1C(F)(F)F 253394386 AYJVTDYVDIWJLZ-LXKVQUBZSA-N 283.293 3.643 0 40 CHAB CCOc1ccccc1C(=O)c1cccc(C)c1C 95916799 FPWLNSXZTYQECO-UHFFFAOYSA-N 254.329 3.933 0 40 CHAB O=C(O)C1(c2ccc3ccccc3c2Br)CC1 575629021 IHARGUPYHFQLJF-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB Cc1ccccc1NC(=O)Cn1ccc2ccccc21 581666 GJAQBRQPVVJVDI-UHFFFAOYSA-N 264.328 3.588 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2c(F)cccc2F)cc1 562777 SQPPAJRAATZSMJ-JXMROGBWSA-N 289.281 3.625 0 40 CHAB Fc1nc(F)c(F)c(/C=C/c2ccccc2)c1F 1278127 KFXZEDWCLQRIQW-VOTSOKGWSA-N 253.198 3.808 0 40 CHAB COc1cc(-c2cc(Cl)ccc2C(C)=O)c(OC)cn1 1772715196 VOKAEJLSRIKUBB-UHFFFAOYSA-N 291.734 3.622 0 40 CHAB CCC(CC)C(=O)Nc1nonc1-c1ccc(Cl)cc1 5421773 GPYSZXAPURMUIA-UHFFFAOYSA-N 293.754 3.765 0 40 CHAB c1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1 13472060 XEDYSHNIVSNKMV-UHFFFAOYSA-N 293.410 3.751 0 40 CHAB CC(C)CN[C@@H](C)c1cccc(Br)c1 19883001 ITFFEPKIPIYESV-JTQLQIEISA-N 256.187 3.756 0 40 CHAB CCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1 266415 BMKOKHWQONJAJX-UHFFFAOYSA-N 290.366 3.770 0 40 CHAB Cc1nc(NC(=O)C[C@H]2C=CCC2)sc1-c1ccccn1 23501149 COCJBXJAHFMEIE-LBPRGKRZSA-N 299.399 3.808 0 40 CHAB O=C(c1ccc(O)c(Cl)c1)N1CC[C@@H]2CCCC[C@@H]2C1 32845335 IOHSTBGPPGIDDJ-WCQYABFASA-N 293.794 3.698 0 40 CHAB COC(=O)c1cccn1-c1cc(Cl)cc(Cl)c1 44199541 RHZRGLVWZCQBKC-UHFFFAOYSA-N 270.115 3.571 0 40 CHAB Fc1ccc(Oc2ncnc3ccsc23)c(F)c1 40018054 STEMVNFBBOABAR-UHFFFAOYSA-N 264.256 3.762 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2c(=O)o1 204696 RAPRZODOQQPLRG-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB CCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 559769 KNYZPVWKRUVKSP-UHFFFAOYSA-N 260.381 3.662 0 40 CHAB CC[C@H](c1ccc(O)cc1)[C@@](O)(CC)c1ccc(O)cc1 1600170 MGFPGOSFEBGPKB-QZTJIDSGSA-N 286.371 3.889 0 40 CHAB CCCCCCOC(=O)[C@H](O)[C@@](C)(Cl)c1ccccc1 1734201 MHDWYAISCVMFJV-HOCLYGCPSA-N 298.810 3.625 0 40 CHAB CCCCCc1c(C)nc(SCCC(C)C)[nH]c1=O 2191064 AKZZBKCMNZTUQW-UHFFFAOYSA-N 282.453 3.949 0 40 CHAB Cc1nc(-c2cccc(NC(=O)c3ccco3)c2)oc1C 6418239 HQLNKJDPXNDWPS-UHFFFAOYSA-N 282.299 3.804 0 40 CHAB COc1cc(C(=O)Nc2cccc(C)c2)ccc1C 7756224 YXPSUVGMPWQUFF-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB C[C@@H](SCCn1cccn1)c1ncc(C(C)(C)C)o1 176851808 IECGXMFXFZOFAR-LLVKDONJSA-N 279.409 3.663 0 40 CHAB COc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)cc1C 34880174 PXAKVVWXXAOOFZ-GDNBJRDFSA-N 279.339 3.805 0 40 CHAB Cc1cccc(NC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 101489907 LMBPCPDQHYOTBR-KQTLUZQSSA-N 272.392 3.941 0 40 CHAB CCOc1ccc(CNC(=O)c2cc3ccccc3o2)cc1 113958401 IJXHKYSSUKETND-UHFFFAOYSA-N 295.338 3.762 0 40 CHAB Clc1nc(-c2ccccc2)n(-c2ccccc2)n1 22125630 LNECJWYYCFZOKI-UHFFFAOYSA-N 255.708 3.588 0 40 CHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)C1CCCCC1 20456963 HKZOFWVYPOYAKN-GFCCVEGCSA-N 295.810 3.898 0 40 CHAB CCOC(=O)CCCCC(=O)c1ccc(Cl)cc1 2378830 XWCLGNIBLITULM-UHFFFAOYSA-N 268.740 3.646 0 40 CHAB CN(c1ccc(C(=O)NCC2CC2)cc1)C1CCCCC1 48369061 UVONNXLRKWUGQK-UHFFFAOYSA-N 286.419 3.595 0 40 CHAB O=C(c1ccco1)N1CCCc2cccc(Cl)c21 171355305 WSPWXYMSDJOUIX-UHFFFAOYSA-N 261.708 3.526 0 40 CHAB Cn1cc(CNCCc2ccccc2)c2ccccc21 4245197 USVXTNMIXBSNIF-UHFFFAOYSA-N 264.372 3.511 0 40 CHAB CC[C@H]1CCCCN1CC(=O)c1c(C)[nH]c2ccccc12 4336975 MQENFRBYUSXJEN-AWEZNQCLSA-N 284.403 3.924 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](CC)Oc1ccccc1Cl 20482505 KMVVOYVDWIYSSG-WCQYABFASA-N 283.799 3.802 0 40 CHAB CC(C)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344112 HNMBGILZWOTGHR-NEPJUHHUSA-N 272.175 3.622 0 40 CHAB COc1ccccc1COC(=O)c1cn(C)c2ccccc12 7703030 GUVJVEFIFOUMKW-UHFFFAOYSA-N 295.338 3.544 0 40 CHAB Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)no1 7765719 YBDRJSBLMHHMMB-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB C[C@H](CNC1CCCC1)Oc1ccc(Cl)cc1 19738127 MELXTMKTWCJGQC-LLVKDONJSA-N 253.773 3.640 0 40 CHAB Cc1ccc(F)c(NC(=O)/C=C/c2ccc(C)o2)c1 9455030 ZLVPSWVPTZASRJ-SOFGYWHQSA-N 259.280 3.687 0 40 CHAB CCO[C@H](C)c1nc(-c2ccc(NC(C)=O)cc2)cs1 78936197 GFKHUOLLOFMFLB-SNVBAGLBSA-N 290.388 3.866 0 40 CHAB CCCc1noc(CNC2(c3ccccc3)CCCCC2)n1 79075138 XMACOTAMVUCMLL-UHFFFAOYSA-N 299.418 3.971 0 40 CHAB CCc1nnc(-c2ccc(NCc3ccc(C)o3)cc2)o1 95429352 ZUJSDJUNUKVIDQ-UHFFFAOYSA-N 283.331 3.813 0 40 CHAB COc1cccc(NC(=O)Nc2c(F)cccc2F)c1 113523669 HDXKPVJZWHHHME-UHFFFAOYSA-N 278.258 3.617 0 40 CHAB CC(C)(C)c1ccc(NC(=O)c2ncncc2Cl)cc1 75104650 ZBPRTTVQRVTNKQ-UHFFFAOYSA-N 289.766 3.680 0 40 CHAB CC1=CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 89616636 WOGJWZIWBYFGFO-UHFFFAOYSA-N 264.756 3.832 0 40 CHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(C)(C)C 60111099 VTXOPRODBKZGJW-ZDUSSCGKSA-N 261.409 3.905 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(F)c1 20495708 TXTFXBRCNPQASM-HNNXBMFYSA-N 287.334 3.930 0 40 CHAB Cc1ccc2sc(NC(=O)CC(C)C)nc2c1C 28232806 MZYSPYWXFKJXKD-UHFFFAOYSA-N 262.378 3.898 0 40 CHAB O=C(O)c1cc(C2CCCCC2)nc2ccccc12 33488417 PAMLFRMFHRJNCA-UHFFFAOYSA-N 255.317 3.981 0 40 CHAB COc1ccc(C)cc1NC(=O)C1CCC(F)(F)CC1 122057530 UCJKGLQNWMUEOF-UHFFFAOYSA-N 283.318 3.768 0 40 CHAB Cc1cccc(NC(=O)C(C)(C)C)c1NC(=O)NC(C)C 66089529 AHJQAWCZWLPAHP-UHFFFAOYSA-N 291.395 3.510 0 40 CHAB FC(F)(Br)C(F)(F)Oc1ccccc1 39284887 YFJNDYLVUQFCOF-UHFFFAOYSA-N 273.023 3.646 0 40 CHAB Cc1cccc(-c2cc(-c3ccc(F)cc3)nc(N)n2)c1 71977695 WZEBMQBCYCQNPR-UHFFFAOYSA-N 279.318 3.840 0 40 CHAB CCCNC(=O)c1ccc(Nc2ccc(C)cc2C)c(N)c1 225418339 XEWMWLQEUSNAGF-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB CCCOC(=O)c1cc(N)ccc1Nc1ccc(C)cc1 225463393 RTCWJZOBLSOPRU-UHFFFAOYSA-N 284.359 3.888 0 40 CHAB CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 40122333 JIBIVPWCDCISOP-CYBMUJFWSA-N 259.349 3.769 0 40 CHAB COc1ccc(CCC(=O)NCc2cccc(C)c2)cc1C 225078495 FENZFQVYGCLZOL-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB Cc1cc(C)nc(NCCOc2cccc3ccccc23)n1 97477060 BTZNDFIOSXFRED-UHFFFAOYSA-N 293.370 3.738 0 40 CHAB Cc1cc(COC(=O)c2csc(C)n2)c2ccccc2n1 96442141 HNUOIBJNGKEUFS-UHFFFAOYSA-N 298.367 3.665 0 40 CHAB COc1cccc(OC)c1C(=O)c1ccc(SC)cc1 95917260 JDZGLSXNWTVHSS-UHFFFAOYSA-N 288.368 3.657 0 40 CHAB O=C(Nc1ccccc1)Nc1ccc(OC(F)F)cc1 156480 KXCIFGAAGAVOCC-UHFFFAOYSA-N 278.258 3.932 0 40 CHAB CC(C)(C)C1=N/C(=C/c2ccc(Cl)cc2)C(=O)O1 3101571 WSYVGIMRJVJLQU-DHZHZOJOSA-N 263.724 3.682 0 40 CHAB CC1(C)c2ccccc2-c2nc3ccccc3c(N)c2[C@@H]1O 5464746 VHOMWMZEFVOMIU-SFHVURJKSA-N 290.366 3.809 0 40 CHAB CCOC(=O)c1ccc(NCc2cccc3[nH]ccc23)cc1 15423590 RHFRDCANIFUAOR-UHFFFAOYSA-N 294.354 3.957 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=S)NCc2ccc(Cl)cc2)C1 17024179 DXOOMPKQYBPNOO-VXGBXAGGSA-N 296.867 3.692 0 40 CHAB COc1cccc(-c2nc(/C=C/c3ccncn3)cs2)c1 157359774 DRZLVAJHCZRTTB-AATRIKPKSA-N 295.367 3.779 0 40 CHAB Oc1ccc2oc(-c3ccccc3Br)nc2c1 16450643 ZUTOXMFOSRQRHH-UHFFFAOYSA-N 290.116 3.963 0 40 CHAB Cc1cccc(CN2[C@H]3CC[C@H]2c2ccccc23)n1 336008358 XGMIPVJRXGXXOU-IRXDYDNUSA-N 250.345 3.782 0 40 CHAB COC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1 20133968 UKGHBKGVOXGYAL-IZZDOVSWSA-N 286.302 3.591 0 40 CHAB C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)N1CCCCC1 27988375 AKQVDWQQRKYCOZ-IILDEKEXSA-N 275.436 3.646 0 40 CHAB CC[C@@]1(C)Cc2ccccc2C(CC(=O)N2CCCCC2)=N1 100806615 LSNISBVAEYVGRM-IBGZPJMESA-N 298.430 3.603 0 40 CHAB CC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 279236 MGWPMDURUKFOHR-UHFFFAOYSA-N 272.175 3.866 0 40 CHAB CCc1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1 32481023 XJEFVYKNTAWNLA-UHFFFAOYSA-N 264.328 3.983 0 40 CHAB O=C1[C@H](Cc2ccc(F)cc2)Sc2nc3ccccc3n21 34373 RKSSJIOPLVMIQL-AWEZNQCLSA-N 298.342 3.533 0 40 CHAB CCc1nc(=S)c2c3c(sc2[nH]1)CCCC3 91825 PCHRFROVHWFSMZ-UHFFFAOYSA-N 250.392 3.795 0 40 CHAB Cc1cccc(NC(=O)CSc2nc3ccccc3o2)c1 181634 FKLNEVCOERDCOW-UHFFFAOYSA-N 298.367 3.867 0 40 CHAB CCOC(=O)CSc1nc2cc(C)ccc2cc1CC 413640 CPIYKCDRDKGTOI-UHFFFAOYSA-N 289.400 3.761 0 40 CHAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccn1 32769594 GCWZXOMOWFOEPL-UHFFFAOYSA-N 282.343 3.655 0 40 CHAB COc1ccc([C@H](Cc2ccccc2)C(C)=O)cc1 1848495 QOOIXKYFDUCJIB-QGZVFWFLSA-N 254.329 3.611 0 40 CHAB CCc1c(C(=O)N[C@H](C)c2ccncc2)csc1C 2749583 OPZJXVZEEMLFJJ-SNVBAGLBSA-N 274.389 3.505 0 40 CHAB C[C@H]1Cc2c([nH]c3ccccc23)[C@H]2[C@H]3CC=CC[C@@H]3C(=O)N12 4024954 MAFXGFNNEKUFGD-DGBRYZOVSA-N 292.382 3.578 0 40 CHAB NC(=O)c1cccc(COc2cc(Cl)cc(Cl)c2)c1 32827010 PEOZFTAEPWRSDG-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB CC[C@H](C(=O)OCCNC1CCCCC1)c1ccccc1 6412040 LQECUGGXALPWSL-KRWDZBQOSA-N 289.419 3.646 0 40 CHAB COc1ccccc1NC1=NN=C(c2ccccc2)CS1 7849610 RYDBTUYHGRUULT-UHFFFAOYSA-N 297.383 3.614 0 40 CHAB Cc1sc2nc([C@@H](C)Nc3ccccc3)[nH]c(=O)c2c1C 33040190 JFWGJAAIYICPDB-SNVBAGLBSA-N 299.399 3.775 0 40 CHAB CCCCc1ccc(CC(=O)Nc2cccnc2)cc1 12594134 KNQGOXFOUBPLHG-UHFFFAOYSA-N 268.360 3.605 0 40 CHAB O=C(c1ccc(F)cc1)c1ccc(NC2CC2)cc1 12516365 QSAWHBNQYHYQMO-UHFFFAOYSA-N 255.292 3.631 0 40 CHAB Cc1nc2sccn2c1C(=O)Nc1ccc(Cl)cc1 1398129 XCXIQHDCFZPHJQ-UHFFFAOYSA-N 291.763 3.610 0 40 CHAB CC(=O)CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100778292 GWDZCKKSXFQQAV-ZSVAQUKISA-N 271.198 3.699 0 40 CHAB CC(C)CCn1nnc2sc(-c3ccccc3)cc2c1=O 1785059 VEGFZCCQCXXESL-UHFFFAOYSA-N 299.399 3.566 0 40 CHAB COc1cccc(-c2c(-c3ccccc3)noc2N)c1 26512439 IXLWWQRBCPHJBA-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB Cc1cc(C(=O)N(Cc2ccco2)C2CC2)sc1C 44698477 CSVCZXUYWIIAEV-UHFFFAOYSA-N 275.373 3.763 0 40 CHAB CC[C@H](O)CN(C)Cc1ccccc1-c1ccccc1 72268819 ZRSQEEGNLYTKMO-KRWDZBQOSA-N 269.388 3.556 0 40 CHAB O=C(O)c1cccnc1Sc1ccccc1Cl 3426363 YMCMJFXYOSGRJU-UHFFFAOYSA-N 265.721 3.584 0 40 CHAB CCc1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 3566843 HGSCRRSAEYTYED-UHFFFAOYSA-N 283.371 3.829 0 40 CHAB COc1cccc(C(=O)CCc2ccccc2C)c1 2516363 XSOUEMLAOJPLBX-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(F)cc1F 2515420 NHHKKKLKNJVPGJ-UHFFFAOYSA-N 299.320 3.568 0 40 CHAB C(=C/c1ccccc1)\COc1nc(-c2ccccc2)n[nH]1 6343947 FAGRERZVOQEROK-JXMROGBWSA-N 277.327 3.564 0 40 CHAB CCC(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 6756803 HGZFHBFHYIZWJF-UHFFFAOYSA-N 282.299 3.549 0 40 CHAB biogenic C[C@H](N[C@H]1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1 90100488 RNEWVPWFYIIHIL-MAZHCROVSA-N 285.366 3.603 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 15554668 DGMPOQPBSJJMFW-CZUORRHYSA-N 295.386 3.583 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1ccccc1N1CCCC1 15941026 RQWDIGRPUQCLIN-UHFFFAOYSA-N 298.361 3.607 0 40 CHAB COc1ccccc1N[C@H](C)C(=O)c1c[nH]c2ccccc12 7987278 MSZPTWUILUWJES-GFCCVEGCSA-N 294.354 3.860 0 40 CHAB Fc1ccccc1COc1ccccc1CNC1CC1 16449612 LQQUIZYHIUOOCO-UHFFFAOYSA-N 271.335 3.657 0 40 CHAB COCCCCC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 84697762 YWQQYBUILSAQBP-SUMWQHHRSA-N 293.382 3.552 0 40 CHAB Cc1nc(C)c(CSCc2nnc(C(C)(C)C)o2)s1 95412923 LFDZRBLIXDIGQN-UHFFFAOYSA-N 297.449 3.874 0 40 CHAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(F)(F)F 79098654 QGRHKYKCFPSYRY-ZCFIWIBFSA-N 291.273 3.654 0 40 CHAB CCc1cnc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)s1 95968992 DICAYHXIOMZKPD-RYUDHWBXSA-N 292.452 3.895 0 40 CHAB CN(C(=O)CSCc1ccccc1)C1CCCCC1 20456404 FXYZLVOJPWJWJF-UHFFFAOYSA-N 277.433 3.711 0 40 CHAB CCN1C(=O)S/C(=C/c2cc(C)n(C(C)C)c2C)C1=O 409064296 CMPAUJCLXWWCLA-MDWZMJQESA-N 292.404 3.742 0 40 CHAB Cc1ccncc1[C@@H]1CCCCN1C(=O)c1ccccc1 72211431 NRUJISNDRRCCLG-KRWDZBQOSA-N 280.371 3.757 0 40 CHAB COc1cccc(-c2cncc(Br)c2)c1 72192746 LOUJXUAPVIYRNE-UHFFFAOYSA-N 264.122 3.520 0 40 CHAB CCn1c(CNC2CCCC2)ccc1Cc1ccco1 226021624 ASMWFBGZMJGHFU-UHFFFAOYSA-N 272.392 3.724 0 40 CHAB CCOc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1 227157168 ZJJQCFPVWHKUFX-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB CCCNC(=O)N[C@@H](c1ccccc1)c1cccc(C)c1 225775023 YLZHCTJJFNAROJ-KRWDZBQOSA-N 282.387 3.794 0 40 CHAB O=C(c1ccc(C2OCCO2)cc1)c1ccccc1Cl 43212664 GUPTXWMSNILIAI-UHFFFAOYSA-N 288.730 3.616 0 40 CHAB Cc1cc(C)cc(O[C@@H](Cc2ccccc2C)C(=O)O)c1 225015296 ZVRAVYKPJFOZKR-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB Cc1cccc(C[C@H](Oc2ccccc2Cl)C(=O)O)c1 225017386 UBZBDRNJAZYXCS-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Cc1c(F)cccc1[C@@H](O)c1cccc(Br)c1 95730285 BJUOBXJKXPZVKX-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB c1cc([C@H]2CCCCN2Cc2ccc3cc[nH]c3c2)ncn1 257287094 POMRNMLUINEGAE-GOSISDBHSA-N 292.386 3.685 0 40 CHAB CC[C@H](c1ccccc1)c1nc(-c2ccc(O)cc2)n[nH]1 642882485 CQJCAMVXLZKEID-OAHLLOKOSA-N 279.343 3.719 0 40 CHAB COc1c(Cl)cc(NC(=O)N2CCCC2)cc1Cl 69808885 WOLFFOUOGHHABV-UHFFFAOYSA-N 289.162 3.630 0 40 CHAB C[C@H]1CN(Cc2cc3ccccc3s2)C[C@@H](C)O1 95430489 UNIBBCRFNILCPB-TXEJJXNPSA-N 261.390 3.511 0 40 CHAB CC(C)C[C@H](N)c1nnc(SCc2cccc(F)c2)o1 5025612 ZTTBTJJDIQUCKQ-LBPRGKRZSA-N 295.383 3.547 0 40 CHAB Cc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1C 12556091 YMLZUEISZIAQLV-GOSISDBHSA-N 294.398 3.735 0 40 CHAB CC[C@H](NC(=O)c1ccccc1OC)c1ccc(C)cc1 14602587 SSXVPWURYFSUTN-INIZCTEOSA-N 283.371 3.885 0 40 CHAB CCCCOC(=O)/C=C/c1ccc(OC(C)C)cc1 1695535 WYZSIODQHOOTRM-DHZHZOJOSA-N 262.349 3.830 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCC2 32666217 DXQDZTUTCKYAIZ-MRXNPFEDSA-N 257.377 3.580 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(F)cc1 1775996105 VDPFPNHDGVGDHT-IYBDPMFKSA-N 288.366 3.608 0 40 CHAB O=C1C[C@@H](c2ccc(O)cc2)c2c(sc3c2CCCC3)N1 15084827 DUXPKSBEKAWFLQ-ZDUSSCGKSA-N 299.395 3.807 0 40 CHAB O=C(NCCc1ccc(-c2ccco2)s1)c1ccoc1 2086896691 OGBBMBNMKDPPNQ-UHFFFAOYSA-N 287.340 3.574 0 40 CHAB O=C(C1CCCC1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32091252 DIBQUJBBXNVYQH-UHFFFAOYSA-N 282.387 3.849 0 40 CHAB Cc1ccc(C(=O)NCC2(c3ccccc3)CC2)c(C)c1 11750061 SBLWREBSTXSQFL-UHFFFAOYSA-N 279.383 3.765 0 40 CHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1 362001 VZKDQEASIRRSHX-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB CCCNC(=O)Oc1ccc(Nc2ccccc2)cc1 1739213 JFNSSZMJDDJCAW-UHFFFAOYSA-N 270.332 3.929 0 40 CHAB CCOC(=O)c1sc(N[C@H](C)CC)nc1C(F)(F)F 4294211 MNQKKVDRDKOAGO-ZCFIWIBFSA-N 296.314 3.549 0 40 CHAB COc1cccc(C(=O)Nc2ccc(C)cc2C)c1 2790393 COSOJZLRUIKBMJ-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1OC 6155795 MORAIXSPPQLOGV-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc(Cl)cc1 6468250 JNOWYVJFSSTAPA-GHMZBOCLSA-N 281.787 3.639 0 40 CHAB Fc1ccc(CNC(=S)Nc2ccc(F)c(F)c2)cc1 7351422 JOSYXTFKHFFNSC-UHFFFAOYSA-N 296.317 3.591 0 40 CHAB Cc1ccc(-n2nc(CSc3ccccn3)cc2O)cc1 10157343 UOHAHXVBTURVMJ-UHFFFAOYSA-N 297.383 3.574 0 40 CHAB COc1ccc(CC(=O)O[C@@H]2CCCc3ccccc32)cc1 32902314 UHQNUSOYWJUPFX-GOSISDBHSA-N 296.366 3.859 0 40 CHAB Fc1ccc([C@H]2C=C(c3ccccc3)NC(S)=N2)cc1 449550 PNDQFIRJQKWOHK-OAHLLOKOSA-N 284.359 3.797 0 40 CHAB Cc1[nH]c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1C 21895265 QHXFRAJQIDJSFZ-RYUDHWBXSA-N 284.403 3.903 0 40 CHAB S=C(Nc1ccccc1)N1N=CC[C@@H]1c1ccccc1 544287 RHRRXBKEBUYZJL-OAHLLOKOSA-N 281.384 3.816 0 40 CHAB O=C(CCCC1CCCCC1)N1CCO[C@H]2CCC[C@H]21 53377919 HUEYXZLVSJZDHJ-CVEARBPZSA-N 279.424 3.517 0 40 CHAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)Nc2ccccc21 9466334 DJTGNMKJCRJIJW-ZDUSSCGKSA-N 292.260 3.560 0 40 CHAB Cc1cccc(NC(=S)Nc2ccc(C(=O)O)cc2)c1 874363 RTLUUGLTDGGCFW-UHFFFAOYSA-N 286.356 3.502 0 40 CHAB CCCCCNC(=O)Nc1ccccc1Br 3161310 GFSWWQODHYVGMK-UHFFFAOYSA-N 285.185 3.761 0 40 CHAB CCn1cc(CNc2cccc(Oc3ccccn3)c2)cn1 97051007 CWBMLSFFTVVUFD-UHFFFAOYSA-N 294.358 3.702 0 40 CHAB CO[C@H](C)c1cccc(N[C@@H](C)C2CCN(C)CC2)c1 97045955 DPSWZMCJXIQDMK-UONOGXRCSA-N 276.424 3.536 0 40 CHAB CC[C@@H](O)[C@H](OC)n1c2ccccc2c2ccccc21 1271889 LFPIWXUJCHMLHC-SJORKVTESA-N 269.344 3.710 0 40 CHAB C[C@@H]1CCCCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 2213938 GRWSKCGTQJOOEF-CYBMUJFWSA-N 297.398 3.656 0 40 CHAB biogenic Cn1c(SC/C=C/c2ccccc2)nnc1C(F)(F)F 12905903 YYLIJHQATHHDRB-VMPITWQZSA-N 299.321 3.639 0 40 CHAB O=C(Cc1nc2ccccc2n1C(F)F)c1cccs1 3888560 AYIRZVBQLHRDAP-UHFFFAOYSA-N 292.310 3.918 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Br)o2)c(F)c1 8735128 XMQKNJOAADFPDB-UHFFFAOYSA-N 298.111 3.742 0 40 CHAB CCCC1=NC(C)(C)Cc2cc(OC)c(OC)cc21 4170674 QKJHPSWKJSFXRB-UHFFFAOYSA-N 261.365 3.628 0 40 CHAB COc1ccc(Cc2c(C)[nH]c3ccc(C(=O)O)cc23)cc1 8715447 HJXCVUVMOWZKTI-UHFFFAOYSA-N 295.338 3.774 0 40 CHAB CC(C)Oc1ccc(C(=O)CCN2CCCCC2)cc1 4257985 ZHTPWMDZZZQREU-UHFFFAOYSA-N 275.392 3.533 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)C1CCCC1 5176872 KZECENHYWOQNMX-CYBMUJFWSA-N 261.390 3.530 0 40 CHAB CC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 6342698 BLGZTGSLPHUHGJ-DHZHZOJOSA-N 283.302 3.680 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC1(Cl)Cl 9125725 GGYCMCMZUWUHIP-QMMMGPOBSA-N 298.091 3.838 0 40 CHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccccc1 90624318 QPFHZDYVAWHZRB-QGZVFWFLSA-N 290.366 3.975 0 40 CHAB Cc1ccc(C)c(OCCNc2ccc(F)cc2)c1 19737678 IJOQKXISLFIHCY-UHFFFAOYSA-N 259.324 3.933 0 40 CHAB CC(C)COc1ccc(C(=O)Nc2cccc(N)c2)cc1 19736019 XESDWRBAOSZVAH-UHFFFAOYSA-N 284.359 3.556 0 40 CHAB COc1ccccc1O[C@H](C)CN[C@H](C)c1ccccc1 19737863 GOELAECIDCMZCB-HUUCEWRRSA-N 285.387 3.813 0 40 CHAB Cc1ccccc1NCCC(=O)Nc1cc(F)ccc1C 7814188 WFXOZPFXRICJOB-UHFFFAOYSA-N 286.350 3.883 0 40 CHAB CC[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 2173223 VGNWNCUHBARGKV-JKSUJKDBSA-N 251.329 3.801 0 40 CHAB biogenic CC1(C)COC(c2ccc(Br)cc2Cl)=N1 34595725 JHKCBCJWKYVVPS-UHFFFAOYSA-N 288.572 3.658 0 40 CHAB Brc1csc(OC2CCCCC2)n1 72193068 KUBFQPSISWHAIT-UHFFFAOYSA-N 262.172 3.617 0 40 CHAB C[C@H]1C[C@@H](C)CN(Cc2ccc(N)cc2Br)C1 37515907 DYZRRTDXJJNUOE-PHIMTYICSA-N 297.240 3.509 0 40 CHAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C)C2)c1C 72365359 HQGXDNFKGUCECR-HNNXBMFYSA-N 281.403 3.570 0 40 CHAB COc1ccccc1C(=O)NC(C)(C)CC(C)(C)C 75234945 NVNKMKQSOYCKGT-UHFFFAOYSA-N 263.381 3.640 0 40 CHAB Cc1cccc(CSCC(=O)NCCc2ccccc2)c1 41778350 BERBCFCZGKQUJH-UHFFFAOYSA-N 299.439 3.587 0 40 CHAB COc1ccc2cc(Br)cc3c2c1CCC3=O 85398475 WMVUXWGYLYCNRP-UHFFFAOYSA-N 291.144 3.740 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 139101238 BDKIRHZPZKTKDB-UHFFFAOYSA-N 293.322 3.712 0 40 CHAB CCC1(CC)Oc2ccc(N[C@@H](C)c3cnccn3)cc2O1 191614629 YHFOBANAOIAZFC-LBPRGKRZSA-N 299.374 3.937 0 40 CHAB CCCOc1ccc2c(c1)c(CNC(C)C)c(C)n2C 223770048 AFRBDRXYVQLWKC-UHFFFAOYSA-N 274.408 3.774 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCC2=CCCCC2)c1 224293037 PMFVCALHXYMANT-HNNXBMFYSA-N 287.403 3.687 0 40 CHAB Cc1ccc(-c2ccc(C(=O)C(F)(F)F)[nH]2)cc1F 226078142 KRZMEOUAXFWFLA-UHFFFAOYSA-N 271.213 3.874 0 40 CHAB CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@H]1c1ccco1 96445182 SLIIAIRXEVYBDX-HUUCEWRRSA-N 295.338 3.788 0 40 CHAB COc1ccc(C(=O)NCCCc2cccc(C)c2)cc1C 96726969 DFVKSUANBOKALA-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB CC(C)Nc1cccc(F)c1NCc1nccs1 97233501 IBJYWMIKPZLBFE-UHFFFAOYSA-N 265.357 3.715 0 40 CHAB O=C1CCCC[C@@H]1Sc1ncnc2c1oc1ccccc12 5271739 DFCPJJXSAMEXJM-ZDUSSCGKSA-N 298.367 3.980 0 40 CHAB CCCO[P@](C)(=O)OC[C@@H]1CCCN2CCCC[C@@H]12 12657256 IRSGFXOKDNHIQR-NJSLBKSFSA-N 289.356 3.517 0 40 CHAB biogenic Cc1cccc(NC(=S)NCc2ccc(Cl)cc2)n1 13837708 UDBJBUGRBWLLKB-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)cc1 13994579 PYFYFZZBAFNVTF-INIZCTEOSA-N 299.370 3.800 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCc1ccccc1 14022288 SQTWDASJILOMDP-GOSISDBHSA-N 297.398 3.511 0 40 CHAB Fc1ccc(/C=C/c2cnnc3ccccc23)cc1 1693169 GZALKQIQPOLMAF-VMPITWQZSA-N 250.276 3.939 0 40 CHAB Cc1ccc(NC(=O)c2ccccc2F)c2cccnc12 31091793 PVWVINAIBYHOBM-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccccc3)[C@H]1[C@@H]2C 100436238 PLYQNNOXZOYWGG-WSWKGWCUSA-N 272.388 3.585 0 40 CHAB Cc1noc(C)c1CN(C)[C@H](C)c1ccc(F)c(F)c1 40487886 RVJNBCGKMCAXPT-SNVBAGLBSA-N 280.318 3.763 0 40 CHAB CSc1cccc(NC(=O)NCc2ccccc2)c1 170820 ZHTADXFEFROVNH-UHFFFAOYSA-N 272.373 3.730 0 40 CHAB Cc1ccc(OC[C@H](C)Nc2ncnc3ccsc23)cc1 40500055 IDPQHDYZXAXORV-LBPRGKRZSA-N 299.399 3.879 0 40 CHAB Cc1ccc(NC(=O)N(Cc2ccccn2)C2CC2)c(C)c1 40525376 WNCQOOQUWSZEEM-UHFFFAOYSA-N 295.386 3.895 0 40 CHAB Cc1noc(C)c1CN(Cc1ccc(F)cc1F)C1CC1 52076374 CLALXDMQYYJOHQ-UHFFFAOYSA-N 292.329 3.734 0 40 CHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 365270 FFVGYFPSZHYJTQ-UHFFFAOYSA-N 289.400 3.785 0 40 CHAB CC(=O)c1cc(C)c(OC(=O)c2ccccc2)c(C)c1 1586618 YIMRTAMGFYEANJ-UHFFFAOYSA-N 268.312 3.725 0 40 CHAB O=C(c1ccccc1)c1cc(F)ccc1Br 1682938 JGDFMEMYRWWLDF-UHFFFAOYSA-N 279.108 3.819 0 40 CHAB COc1cc(C)nc2ccc(C(=O)c3ccccc3)cc12 1722568 LZXBUCQELGRORN-UHFFFAOYSA-N 277.323 3.783 0 40 CHAB c1ccc(C[C@H]2CCC[C@H](Cc3ccccc3)N2)cc1 1747057 VFXVLYPQEFIYDB-RTBURBONSA-N 265.400 3.983 0 40 CHAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@@H]1c1cccs1 102250787 KBUSFRPGMACBKK-XDQVBPFNSA-N 273.401 3.624 0 40 CHAB CC(C)(C)[C@@]1(O)[C@H]2CCCC[C@@H]2C(=O)N1c1ccccc1 4775595 DZYIOWGUAGPDHB-MPGHIAIKSA-N 287.403 3.574 0 40 CHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 6929201 YHAMYBFNSLDFCY-JTQLQIEISA-N 293.725 3.885 0 40 CHAB COc1cccc(NC(=S)Nc2ccc(F)cc2C)c1 6963959 UWTZDMSDLKYTJD-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC1CCCCCC1 8494183 ANPGBPLYOCZBDE-QGZVFWFLSA-N 289.419 3.991 0 40 CHAB Cc1ccc2oc(C(=O)Nc3cccc(C)n3)cc2c1 41305717 QEABFNVVVZHHJX-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 524306 VQQVIIACKGCVLG-CQSZACIVSA-N 288.734 3.631 0 40 CHAB O=C1N[C@H](c2ccc(C(F)(F)F)cc2)Nc2ccccc21 9466333 DJTGNMKJCRJIJW-CYBMUJFWSA-N 292.260 3.560 0 40 CHAB COc1ccc(C)cc1NC(=O)c1cccc2ncccc12 57525317 PCFJOTPOKNCJFS-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB Cc1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1 3058115 GSDXHRDHVYXICT-UHFFFAOYSA-N 295.382 3.891 0 40 CHAB CC(=O)c1cccc(Nc2nnc(-c3ccccc3F)o2)c1 12533916 IPXWWRPWSMVLCG-UHFFFAOYSA-N 297.289 3.822 0 40 CHAB Cc1cccc(-n2nc(C)c(CCc3ccccc3)c2O)c1 100072434 KFLYUTCLRSQGOB-UHFFFAOYSA-N 292.382 3.980 0 40 CHAB Cc1cc(C(=O)Nc2ccc(C)c(C)c2)c2c(C)noc2n1 27601707 XPJCHCXOVHFMAE-UHFFFAOYSA-N 295.342 3.709 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H](C)C1CC1 48113690 AJZDJOABTHKWQL-FZMZJTMJSA-N 290.407 3.699 0 40 CHAB Cc1ccc(CNC(=O)COc2cc(C)cc(C)c2C)cc1 25216184 BBYQITAWKOZWOI-UHFFFAOYSA-N 297.398 3.615 0 40 CHAB Cc1cc2oc(=O)cc(CN3CCCCC3)c2cc1Cl 3322459 LAIFBWNVSALUBU-UHFFFAOYSA-N 291.778 3.741 0 40 CHAB Cn1ccnc1SCc1ncc(-c2ccc(F)cc2)o1 10886553 NGUSSAJMJPLEJA-UHFFFAOYSA-N 289.335 3.507 0 40 CHAB Cc1nc2nc(-c3ccc(Cl)cc3)nn2c(C)c1Cl 2363717 SRRDYCWINGNKRX-UHFFFAOYSA-N 293.157 3.715 0 40 CHAB Nc1ccc(C(c2ccc(N)cc2)c2ccc(O)cc2)cc1 36469591 DIPSNXHWDKBKKB-UHFFFAOYSA-N 290.366 3.737 0 40 CHAB O=C1CCc2cc(C(=O)c3cc4ccccc4o3)ccc2N1 11157488 WYUSMLNEKPUPGZ-UHFFFAOYSA-N 291.306 3.549 0 40 CHAB NC(=O)c1cccc(-c2nc(-c3ccccc3)cs2)c1 48354312 GYPPQDJOOIPCJN-UHFFFAOYSA-N 280.352 3.576 0 40 CHAB CC[C@@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 12982796 VYCXGWNPLNBFNR-LLVKDONJSA-N 276.380 3.656 0 40 CHAB Cc1ccc(N2Cc3ccccc3OCC2=O)cc1Cl 65184296 RYWITOAPELQPPW-UHFFFAOYSA-N 287.746 3.574 0 40 CHAB Cc1occc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8937497 RXOSVKQBNPWDQU-UHFFFAOYSA-N 299.326 3.882 0 40 CHAB c1ccc(CCNc2nsc3ccccc23)cc1 6787863 AYRGDAUNRAKCJI-UHFFFAOYSA-N 254.358 3.951 0 40 CHAB N[C@H](c1ccc(-c2ccccc2)cc1)C(F)(F)F 19968083 CPLKUCUJUJTRNL-CYBMUJFWSA-N 251.251 3.916 0 40 CHAB c1ccc(CONc2ncnc3c2oc2ccccc23)cc1 9256146 DLLQVADBTIRMSC-UHFFFAOYSA-N 291.310 3.920 0 40 CHAB Nc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 19736660 LMYGIAUOTDEEIZ-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CCN(CC)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 78605542 XNSUNMKPWZXJNZ-SNVBAGLBSA-N 283.441 3.553 0 40 CHAB OCc1ccc(CNc2ccccc2CCC(F)(F)F)o1 89813890 BWMVFGHNLYZKEW-UHFFFAOYSA-N 299.292 3.879 0 40 CHAB Cc1ccccc1C1=Cc2ccccc2C2(OCCO2)O1 3848033 DKBLUUWHARNUGA-UHFFFAOYSA-N 280.323 3.680 0 40 CHAB biogenic O=C(O)c1ccc(OCc2nc3ccccc3s2)cc1 37976230 OPUHKKHAAHFKFD-UHFFFAOYSA-N 285.324 3.574 0 40 CHAB CC(C)CN1CCC[C@H]1c1ccc(N2CCCCC2)nc1 72216046 NEDNRMHCNBMXJV-KRWDZBQOSA-N 287.451 3.865 0 40 CHAB Cc1ccc(-c2cc(-c3cccs3)nc(N)n2)s1 71978366 COCNKGKDGWKDLB-UHFFFAOYSA-N 273.386 3.824 0 40 CHAB CCCOCc1cc(C(=O)N[C@H](C)CC)ccc1OCC 224702571 YLHZKEMXXLVNQF-CYBMUJFWSA-N 293.407 3.540 0 40 CHAB C[C@H]1CCCCN1c1cc(N)cc(C(F)(F)F)c1 228920323 GYUZYLQPQHXBPE-VIFPVBQESA-N 258.287 3.666 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)C1(c2ccccc2)CC1 225988574 WGXVAHNWZSQTFL-CQSZACIVSA-N 277.367 3.696 0 40 CHAB COc1ccc(OC(C)(C)C)c(Br)c1 95915439 CSPXYPCXEJUKOB-UHFFFAOYSA-N 259.143 3.635 0 40 CHAB CC(C)[Si]1(C(C)C)N[Si](C(C)C)(C(C)C)N1 195753959 CZPNUDIXGFJYIY-UHFFFAOYSA-N 258.558 3.704 0 40 CHAB COc1c(OCc2ccccc2)ccc(C=O)c1Cl 95080296 ZTNWKHUIHQVLAK-UHFFFAOYSA-N 276.719 3.740 0 40 CHAB FC(F)(F)c1nc2ccncc2c(Cl)c1Cl 252495740 OYPNDDGFCLGKJA-UHFFFAOYSA-N 267.037 3.955 0 40 CHAB COc1cc(C(=O)c2ccc(C)cc2C)ccc1F 95916815 ZQLFTHFDNIYQPT-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB Fc1ccc(CCNCc2c(F)cccc2Cl)cc1 16383721 QHAAPROFCQEUBT-UHFFFAOYSA-N 281.733 3.951 0 40 CHAB O=Cc1cccn1-c1ccc(Br)cc1Cl 3676303 KYRUNYIIYAXJLK-UHFFFAOYSA-N 284.540 3.706 0 40 CHAB COc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1OC 1613538 UPIRYBQSGRRFBP-UHFFFAOYSA-N 290.746 3.783 0 40 CHAB Cc1ccc(SCCNC(=O)C2CCCCC2)cc1 13716885 QJEWIMBCIHGTIA-UHFFFAOYSA-N 277.433 3.784 0 40 CHAB O=C(NC1CCCCCCC1)C1(c2ccccc2)CC1 16470010 UYXQVIFALOGCLO-UHFFFAOYSA-N 271.404 3.947 0 40 CHAB CSC(=S)/C(=C\Nc1ncccn1)c1ccccc1 16952202 DPLMOXTVNFMHSK-BENRWUELSA-N 287.413 3.620 0 40 CHAB CCCC[n+]1ccc(-c2cc[n+](CCCC)cc2)cc1 5554728 IYBJGKAWHHFZSQ-UHFFFAOYSA-N 270.420 3.529 0 40 CHAB O=C(NC1CCCC1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008538 KCQSDOHSRYCPET-HOTGVXAUSA-N 274.408 3.602 0 40 CHAB COc1cccc(/C=C(\C)C(=O)Nc2ccccc2)c1 12362133 JKWRKAOLESPQGS-ACCUITESSA-N 267.328 3.737 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C 519473 VRAQFSFGVZLHAG-CGAYHFDWSA-N 286.371 3.951 0 40 CHAB biogenic COc1ccc(C(=O)c2ccc(Br)s2)cc1 1692667 KTBNPLQVESJLHN-UHFFFAOYSA-N 297.173 3.750 0 40 CHAB CCCC[C@@H](CC)CNC(=O)C(Cl)(Cl)Cl 2741752 KLPOENYMYNCXQY-MRVPVSSYSA-N 274.619 3.689 0 40 CHAB CC(C)(C)[P@](=O)(c1ccncc1)N1CCCCCC1 3173767 ZECLZBAERKGWPR-LJQANCHMSA-N 280.352 3.660 0 40 CHAB Cc1nc(NC(=O)c2ccccc2O)sc1C(C)(C)C 551476 GAJGGJLQTFWSIO-UHFFFAOYSA-N 290.388 3.707 0 40 CHAB C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccccn1 69509098 RTBNSRDSAICPAF-LLVKDONJSA-N 262.303 3.553 0 40 CHAB CC(=O)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 9141088 MLXYLGMMBMZDBO-UHFFFAOYSA-N 266.300 3.762 0 40 CHAB C[C@@H](OC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1 54362821 BWTRERKIKPWIOY-LLVKDONJSA-N 288.730 3.768 0 40 CHAB CC(C)(C)C(=O)COC(=O)/C=C/c1ccccc1Cl 3325593 KKTAUUKTINEEFO-CMDGGOBGSA-N 280.751 3.512 0 40 CHAB CC(C)(C)c1ccc(CSC(=N)NC2CC2)cc1 11255034 PMJCKRUAFLZNDX-UHFFFAOYSA-N 262.422 3.904 0 40 CHAB C[C@@H]1CCc2c(sc3ncnc(NCC4CC4)c23)C1 12894206 NAVYPAYRQMOQRJ-SECBINFHSA-N 273.405 3.638 0 40 CHAB CNc1nc2c(s1)[C@@H](c1cc(F)ccc1F)CC(O)=N2 49549689 WMKHXSOCVOJALP-MRVPVSSYSA-N 295.314 3.587 0 40 CHAB COc1ccc(NC(=S)Nc2ccccc2F)cc1 13786992 ZNCUDKCOHDCWRQ-UHFFFAOYSA-N 276.336 3.643 0 40 CHAB CCN(Cc1ccccc1)Cc1cc(OC)ccc1OC 4599178 CQTFZTDHZRMZOW-UHFFFAOYSA-N 285.387 3.726 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1ccccc1O 6668511 YVOKZSWLWVOQKI-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB FC(F)(F)c1ccc(-c2nc3ccncc3[nH]2)cc1 71166810 HMMQLDSHWNXODX-UHFFFAOYSA-N 263.222 3.644 0 40 CHAB Cc1ccc2c(C(=O)CN3C[C@@H](C)C[C@@H](C)C3)c(C)[nH]c2c1 4871447 GCGMLBYPUYKAJU-OKILXGFUSA-N 298.430 3.945 0 40 CHAB COc1cccc(/C=C2\C(=O)Nc3cccc(Cl)c32)c1 6847914 ZEYHJPRBSJCHCC-XFXZXTDPSA-N 285.730 3.841 0 40 CHAB Cc1cc(NC(=O)c2ccoc2C)ccc1Br 8193340 NZPZCLMLWFIADX-UHFFFAOYSA-N 294.148 3.911 0 40 CHAB Cc1nc(Br)sc1NC(=O)OC(C)(C)C 95930338 RIFFGJWKHWQFCV-UHFFFAOYSA-N 293.186 3.561 0 40 CHAB in-vitro CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1 75093513 PFFFREGSLOBSEH-QWHCGFSZSA-N 283.824 3.744 0 40 CHAB CN1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 72217347 CJOBJSYONVQAGN-GFCCVEGCSA-N 250.411 3.739 0 40 CHAB CCOc1ccc(C(=O)c2cc(F)cc(F)c2)cc1 37358300 ZYHGGPYKZXFHNT-UHFFFAOYSA-N 262.255 3.595 0 40 CHAB CCCCN1CCC[C@@H]1c1cccnc1NCCC 72213139 QMZAOKKRICTAQZ-OAHLLOKOSA-N 261.413 3.841 0 40 CHAB Oc1ccccc1-c1csc(N2CCCCC2)n1 34850047 CIZFLLFRDXZCLM-UHFFFAOYSA-N 260.362 3.506 0 40 CHAB Cc1ccc(OCc2ccc(C(=O)NCC(C)C)o2)cc1 30868998 JPVJUHNSBXQLEY-UHFFFAOYSA-N 287.359 3.553 0 40 CHAB c1csc(-c2nc3nccc(-c4ccsc4)n3n2)c1 72451448 SAKOBYVBIFQOOA-UHFFFAOYSA-N 284.369 3.581 0 40 CHAB Cc1ccc(Cl)c(NCc2nnc3n2CCCCC3)c1 41105044 YOHFHUSEBVOFQI-UHFFFAOYSA-N 290.798 3.578 0 40 CHAB CCC(C)(C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225539670 XZDWOPZTLGVVOI-ZDUSSCGKSA-N 289.419 3.638 0 40 CHAB CC[C@@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 49945695 HIKVDUPCPPZHRN-QGZVFWFLSA-N 285.362 3.978 0 40 CHAB CCCCN(C(=O)Nc1ccc(F)cc1)C1CC1 40072756 WIPRLCFSSAMFPN-UHFFFAOYSA-N 250.317 3.622 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCC1CCCCC1 224132839 GTIXXJFAIRRJTQ-GFCCVEGCSA-N 295.810 3.804 0 40 CHAB CC(C)Oc1cccc(C(=O)C(F)(F)C(F)(F)F)c1 95730875 VCXMHOYRQJSSDT-UHFFFAOYSA-N 282.208 3.854 0 40 CHAB Cc1noc(C)c1CCCNC[C@H](C)c1ccccc1 252488923 JBQYUSYTJOYMLM-ZDUSSCGKSA-N 272.392 3.617 0 40 CHAB Cc1cc([C@@H](c2ccccc2)N(C)C)cc(C)c1O 255189422 PUBUITBGPJKZIK-MRXNPFEDSA-N 255.361 3.660 0 40 CHAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Cl)cc1 254478620 FCUJTLQCFAGEOA-SRVKXCTJSA-N 278.783 3.898 0 40 CHAB CC[C@H](C(=O)O)N1c2c(C)cccc2[C@H](C)CC1(C)C 260612775 BBALXHGTEGPXIW-TZMCWYRMSA-N 275.392 3.950 0 40 CHAB CC(=O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 5378013 LJOQISOXZLVDAS-HDEZJCGLSA-N 266.425 3.959 0 40 CHAB CCS[C@H](C)C[C@@H]1CC(=O)c2nc(CC)oc2C1 5508722 WHFXMHVIMZTIOR-NXEZZACHSA-N 267.394 3.514 0 40 CHAB Cc1ccc(O)c(C(=O)CSc2nc3ccccc3o2)c1 5744568 UBKWGESNFFNGMC-UHFFFAOYSA-N 299.351 3.817 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(F)cc1 15789851 WUWGIBYSFAGDAM-GFCCVEGCSA-N 289.375 3.623 0 40 CHAB O=C1c2ccccc2CC[C@@]12O[C@@H]2c1ccc(Cl)cc1 163822 PNULDHLWNWEBIT-IAGOWNOFSA-N 284.742 3.979 0 40 CHAB COc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1C 25533225 CLIJUIMLHLDHQZ-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB Clc1ccc(CCNc2ncnc3ccccc23)cc1 13476431 GVYCRVHJUXXHSO-UHFFFAOYSA-N 283.762 3.938 0 40 CHAB O=C(Nc1ccc(-c2ccncc2)nc1)Nc1cccs1 606440664 LKWPOKSDOVOLHX-UHFFFAOYSA-N 296.355 3.849 0 40 CHAB COc1cccc(C(=O)Oc2ccc(Cl)cc2)c1 360300 NSYNJRZBHCVYKP-UHFFFAOYSA-N 262.692 3.568 0 40 CHAB CCOc1ccccc1NC(=O)c1ccccc1OCC 383476 HSESESHVXDNNKO-UHFFFAOYSA-N 285.343 3.736 0 40 CHAB CC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 20027996 OKTLQXOVKNSJAJ-GOSISDBHSA-N 294.398 3.570 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2C)o1 40103545 BXJSRDUYCQULET-LLVKDONJSA-N 276.311 3.918 0 40 CHAB COc1ccc(Cl)cc1Cc1nc(C)cc(Cl)n1 186944 XWICECRYRBLUOL-UHFFFAOYSA-N 283.158 3.691 0 40 CHAB O=C(O)CCC(=O)c1ccc(Oc2ccccc2)cc1 394937 MXDIUFKCBZTRIM-UHFFFAOYSA-N 270.284 3.526 0 40 CHAB Cc1cc(C)c(C(=O)CCC[n+]2ccccc2)c(C)c1 1666382 RNVUHCACRNJCCW-UHFFFAOYSA-N 268.380 3.562 0 40 CHAB Cc1ccc2c(c1)[C@@]1(C)[C@@H](C(C)(C)N2C=O)C1(Cl)Cl 2357017 SSDADYGJWYQFQE-OCCSQVGLSA-N 298.213 3.811 0 40 CHAB Cc1nc(C[S@](=O)[C@H](C)c2cccc(Cl)c2)oc1C 97083663 PDQGVGLLSAATQU-NSPYISDASA-N 297.807 3.955 0 40 CHAB CCn1c(CNC(=O)c2cccs2)cc2ccccc21 4973467 VVSOBXKZHDZYSY-UHFFFAOYSA-N 284.384 3.653 0 40 CHAB COC(=O)c1oc(CSc2ccoc2C)cc1C 97057982 UDLWKVAYOGBOPQ-UHFFFAOYSA-N 266.318 3.568 0 40 CHAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)c(C)c1 7070387 YNMKFBGRAIVFQP-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB CCCCNCc1cc(Br)ccc1OCC 7261654 YEPGZKOUVASLRH-UHFFFAOYSA-N 286.213 3.738 0 40 CHAB COCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 7401029 YZZJIRBDEZNACV-UHFFFAOYSA-N 275.735 3.739 0 40 CHAB Cc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1 554229 WLKBFVLTMISDCO-UHFFFAOYSA-N 280.327 3.566 0 40 CHAB CCc1ccc2nc(NC(=O)c3cccnc3)sc2c1 22024616 HRHMNVXAZHZOPV-UHFFFAOYSA-N 283.356 3.506 0 40 CHAB O=C(O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 37374913 QZXBDUATFRTRPZ-CYBMUJFWSA-N 280.295 3.883 0 40 CHAB in-vitro CC[C@H](Oc1cccc(C(C)=O)c1)C(=O)Nc1ccccc1 12623387 LGBWHFAWFOIHDZ-KRWDZBQOSA-N 297.354 3.685 0 40 CHAB COc1cc(NC(=O)[C@H]2CC=CCC2)c(OC)cc1Cl 10109360 OZMWHFKYLWYFOO-JTQLQIEISA-N 295.766 3.652 0 40 CHAB O=C(CSCc1ccco1)c1ccccc1F 3310276 CKDFFOVSJFKDNP-UHFFFAOYSA-N 250.294 3.535 0 40 CHAB Cc1ccc(-c2nnc(Sc3cc(C)nc(C)n3)o2)cc1 36395247 DOHDIRWPSFXGCX-UHFFFAOYSA-N 298.371 3.603 0 40 CHAB CC1CCC(NC(=O)COc2ccc(F)cc2Cl)CC1 28845369 ZMMLLZXPJKJZRD-UHFFFAOYSA-N 299.773 3.553 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2ccsc2)cc1Cl 12737149 ZYQSDNMTRCKBRE-UHFFFAOYSA-N 294.763 3.612 0 40 CHAB COc1ccccc1NC(=O)c1ccc(SC)cc1 12758071 BFXLMNWYHLCOJP-UHFFFAOYSA-N 273.357 3.669 0 40 CHAB Cc1ccc(CNC(=O)CSc2ccccc2C)cc1 3554344 YLLRHIQHOWQHLI-UHFFFAOYSA-N 285.412 3.712 0 40 CHAB O=C(Nc1ccc(Cl)cn1)c1cc2c(s1)CCCC2 13746879 NFNXJQLOHCPKQX-UHFFFAOYSA-N 292.791 3.928 0 40 CHAB CC[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 6120818 OMRVLWXPYXQGHG-IWGCBNPKSA-N 272.175 3.921 0 40 CHAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cnccn1 8777004 MFWGQHARLOCDEI-UHFFFAOYSA-N 289.766 3.507 0 40 CHAB Cc1cc(C(=O)N2CCc3ccccc32)c(C)s1 15514563 SQISJGFGRATPBW-UHFFFAOYSA-N 257.358 3.568 0 40 CHAB Cc1occc1C(=O)NCC12CC3CC(CC(C3)C1)C2 7705010 MSZFJBKQRYEOCV-UHFFFAOYSA-N 273.376 3.534 0 40 CHAB COc1ccc(Cl)cc1NC(=O)CCc1cccs1 8987521 ZDNCZBDFGJLUKS-UHFFFAOYSA-N 295.791 3.981 0 40 CHAB CCONC(=O)c1cc(-c2cccs2)nc2ccccc12 9725608 AAHNQRAQGDXZHA-UHFFFAOYSA-N 298.367 3.645 0 40 CHAB COc1ccc(C)cc1NC(=O)CCc1ccc(F)cc1 9908737 DDSXNIGRJZUJHN-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB CCc1ccc2nc(NC(=O)N(C)C(C)C)sc2c1 75107509 WVYHGDDQBLWOAY-UHFFFAOYSA-N 277.393 3.731 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 6067929 QADHLRWLCPCEKT-SLMGBJJTSA-N 290.447 3.671 0 40 CHAB biogenic,in-man CCc1cc(C)n(Cc2cccc(Cl)c2)c1C=O 78405185 FNJXRWIYMMFWLI-UHFFFAOYSA-N 261.752 3.873 0 40 CHAB C[C@H](Oc1ccccc1Cl)C(=O)N(C)C1CCCCC1 44880894 QEYNICPICLPPJQ-LBPRGKRZSA-N 295.810 3.898 0 40 CHAB Cc1ccc(O[C@H](Cc2cc(C)ccc2C)C(=O)O)cc1 225027796 YYAYIHMZLRIJHD-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB Cc1cc2nc(Br)ccc2c(C)c1C 85386325 IOXJUPSSRWMQMO-UHFFFAOYSA-N 250.139 3.923 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1[Si](C)(C)C 195960835 BSZHRPQJZZLGMD-LLVKDONJSA-N 257.450 3.653 0 40 CHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)C1CCCC1 44886341 JSGIFRPOSSTYLH-HNNXBMFYSA-N 295.810 3.898 0 40 CHAB CCOC(=O)CCc1ccccc1-c1ccc(O)cc1 71788739 DYSQDSWMOKPSFM-UHFFFAOYSA-N 270.328 3.555 0 40 CHAB Nc1ccc(-c2ncc(-c3ccc(F)cc3)o2)cc1 75877945 PBSYRLIVZFCFEI-UHFFFAOYSA-N 254.264 3.730 0 40 CHAB Cc1ccc([C@]2(c3ccccc3)O[C@H]3OC=C[C@@H]32)cc1 5554054 IKZQQMRJOBQRKS-KSZLIROESA-N 264.324 3.755 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl 12730310 FSAREUPRWQAQPF-GFCCVEGCSA-N 288.174 3.526 0 40 CHAB COc1ccc(/C=C/C(=O)NC[C@H](C)c2ccccc2)cc1 8168238 NGBTZRMWKAPLDY-VOMSXAGXSA-N 295.382 3.628 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1 41081406 WIDDKWHTVUOSOF-UHFFFAOYSA-N 290.750 3.843 0 40 CHAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 2889425 SQUYVPKYSJAHMR-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CCOc1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1 40095549 YNXANXKHXLGXCT-GFCCVEGCSA-N 288.347 3.869 0 40 CHAB O[C@@H](c1ccccc1)[C@H](Cc1ccccc1)N1CCCCC1 1668058 HUGKXSARDXPQDU-PMACEKPBSA-N 295.426 3.817 0 40 CHAB COc1cc(C)cc2c1O[C@H](c1ccccc1)CC2=O 1687263 DVKYEWQUGKCKRF-HNNXBMFYSA-N 268.312 3.710 0 40 CHAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N(Cc1ccco1)C1CCCC1 102396773 CQXMMZYMZVYKFQ-GRDNDAEWSA-N 285.387 3.763 0 40 CHAB COCc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1 32818543 PKICCATUUNPBQW-UHFFFAOYSA-N 294.354 3.875 0 40 CHAB C1CCN(C[C@H]2CO[C@@]3(CC[C@@H]4CCCC[C@@H]4C3)O2)CC1 4713523 XBGMCAWJVPHBRD-MHORFTMASA-N 293.451 3.574 0 40 CHAB Cc1c(-c2ccccc2)nc(-c2cccs2)n1O 6420588 ZOIQNIAOEJANEN-UHFFFAOYSA-N 256.330 3.824 0 40 CHAB NC(=S)N1N=C2CCCCCC[C@@H]2[C@H]1c1ccccc1 6575656 LZUFXUCJBCSOMY-DZGCQCFKSA-N 287.432 3.613 0 40 CHAB O=C(Nc1cn[nH]c1)N[C@H](c1cccs1)C1CCCC1 46983615 IRFRVJCSRXQURE-ZDUSSCGKSA-N 290.392 3.524 0 40 CHAB Cc1ccc(C2=NN[C@]3(CCCC[C@H]3C)S2)cc1 8372364 GNQZJEYYZZICGV-IUODEOHRSA-N 260.406 3.899 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(C)cc1 8497532 YTPYXQBJWBYTKN-GOSISDBHSA-N 297.398 3.777 0 40 CHAB Cc1nccc(NC(=O)Cc2c(F)cccc2F)c1Cl 97083451 DJMDJQFOFWTIRM-UHFFFAOYSA-N 296.704 3.503 0 40 CHAB O=C(Nc1ccncc1)N1CCC[C@@H]1c1cccc(F)c1 56500825 UYLLRBDXNCXRQA-OAHLLOKOSA-N 285.322 3.590 0 40 CHAB Cc1ccc(C(=O)C[C@H]2OC(=O)c3ccccc32)cc1C 2197729 XNMAEADQBRRWAB-QGZVFWFLSA-N 280.323 3.788 0 40 CHAB Cc1nc2ccc(C(=O)N(C)c3ccccc3)cc2nc1C 12858718 RPPIXLWFSDSNAS-UHFFFAOYSA-N 291.354 3.523 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1 3613648 SPKGAGSONNJNFU-GXFFZTMASA-N 296.208 3.758 0 40 CHAB Cc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1F 13320314 XKYMGGWHPHMHIE-NSHDSACASA-N 250.317 3.540 0 40 CHAB Cc1cc(C(=O)Nc2cc(F)ccc2C)c2c(C)noc2n1 14205563 OGYPNPMTSDVSDO-UHFFFAOYSA-N 299.305 3.539 0 40 CHAB CCCn1c(NC(=O)[C@H]2CC=CCC2)nc2ccccc21 14626182 GYIJVTDWVPYATK-ZDUSSCGKSA-N 283.375 3.741 0 40 CHAB C[C@H](N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1 90100484 RNEWVPWFYIIHIL-APHBMKBZSA-N 285.366 3.603 0 40 CHAB CC(C)c1nnc2n1N=C(c1cc3ccccc3o1)CS2 7166061 VOQUPAVCAAULTH-UHFFFAOYSA-N 298.371 3.506 0 40 CHAB Cc1ccc(SCCC(=O)N(C)C2CCCC2)cc1 22512232 IHSKSBVKIIZHRR-UHFFFAOYSA-N 277.433 3.878 0 40 CHAB Cc1nn(C)cc1-c1csc(COCc2ccccc2)n1 95959224 VKMFKXLODLYXGR-UHFFFAOYSA-N 299.399 3.569 0 40 CHAB COC(=O)c1c(C(C)(C)C)oc2ccc(OC)cc12 79016746 XQVZAYMGDNHVRL-UHFFFAOYSA-N 262.305 3.526 0 40 CHAB CC(C)[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O 34562947 YBWWLAMSRYWGMF-NSHDSACASA-N 260.255 3.605 0 40 CHAB O[C@@H](c1ccc(F)cc1)c1ccccc1Br 39206771 BSDDNYJEIVCQEZ-ZDUSSCGKSA-N 281.124 3.670 0 40 CHAB CCCOC(=O)c1cc(N)ccc1Nc1cccc(C)c1 225462914 DVCUTNDVVZMXDQ-UHFFFAOYSA-N 284.359 3.888 0 40 CHAB FC(F)Oc1ccc(-c2cccnc2)c(C(F)(F)F)n1 47218521 KMPIJCBLBRJAIJ-UHFFFAOYSA-N 290.191 3.764 0 40 CHAB CC[C@@H](C)c1ccccc1OCC[C@H]1CCCNC1 42772482 XYFBXOLZRMMDCB-HUUCEWRRSA-N 261.409 3.969 0 40 CHAB COCCC1(NC(=S)Nc2ccc(C)cc2)CCCC1 225841311 NBEUERHMTFWPOP-UHFFFAOYSA-N 292.448 3.631 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCCCC1 40050049 GCGBXHROUOSWRE-ZIAGYGMSSA-N 272.392 3.662 0 40 CHAB CO[C@@H](C)c1nc(Cl)cc(-c2cccc(C)c2)n1 96529140 KYNKJYILKQAHOU-JTQLQIEISA-N 262.740 3.813 0 40 CHAB COc1cc2cc(Cl)c(Cl)nc2cc1OC 96517658 NFDKGNSOOWOWJV-UHFFFAOYSA-N 258.104 3.559 0 40 CHAB O=c1c(Cl)c(Cl)c(Cl)nn1C1CCCCC1 252494783 OERPQLRNUIRQIA-UHFFFAOYSA-N 281.570 3.709 0 40 CHAB Cc1ccc(F)cc1C(=O)COCc1ccccc1 382679710 ACDQTAZREWVESA-UHFFFAOYSA-N 258.292 3.534 0 40 CHAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc2cccnc12 43529727 KRVAXIPCVWHDAL-BETUJISGSA-N 298.390 3.534 0 40 CHAB O=C(O)[C@@H](CCCN1CCCCC1)c1cccc(Cl)c1 169805960 MYTBLCSYYWKMOA-HNNXBMFYSA-N 295.810 3.774 0 40 CHAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccco2)cc1 512179 NCIOIRWZQVCXAW-VAWYXSNFSA-N 284.359 3.778 0 40 CHAB CCc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1 11757378 OBLJLIDCUOSWFT-UHFFFAOYSA-N 286.356 3.632 0 40 CHAB COc1ccc([C@H]2SCc3nc4ccccc4n32)cc1 13216131 YQNODDHPJUHDFQ-MRXNPFEDSA-N 282.368 3.839 0 40 CHAB CN(C(=O)CCSc1ccccc1)c1ccccc1 13647930 KBSSFWUJLXXXCR-UHFFFAOYSA-N 271.385 3.832 0 40 CHAB CC1CCN(C(=O)[C@H](C)Oc2cccc3ccccc23)CC1 13708974 WCAUTVBGISPIOG-HNNXBMFYSA-N 297.398 3.866 0 40 CHAB Cc1cc(NC(=O)Nc2cccc3ccccc23)nc(C)n1 16283494 ABNVSCWCNDPJFJ-UHFFFAOYSA-N 292.342 3.891 0 40 CHAB c1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC[C@@H]2CCOC2)cc1 19373874 BGTSCRBVFFYYHM-GBBGEASQSA-N 285.431 3.585 0 40 CHAB CCOc1cc(Cl)ccc1NC(=O)C(C)(C)C 22054507 VYPOCBWJVAGTFV-UHFFFAOYSA-N 255.745 3.723 0 40 CHAB in-vitro Cc1cccc(O[C@@H](C)C(=O)NC2CCCCC2)c1C 22517194 ZJGSWZZEWQVEQW-AWEZNQCLSA-N 275.392 3.520 0 40 CHAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)C1CC1 4292229 GMSRZDMPACNQBU-UHFFFAOYSA-N 287.171 3.952 0 40 CHAB C[C@H]1CCc2nc(NC(=O)C3CCCCC3)sc2C1 6455809 QRXIYCSIQOAHLI-JTQLQIEISA-N 278.421 3.787 0 40 CHAB O=C(NCCc1ccccc1)Nc1ccc(Cl)cc1F 20522208 ZFMRTSUKGZIJMC-UHFFFAOYSA-N 292.741 3.843 0 40 CHAB COC(=O)CC1(c2ccccc2)C2CC3CC(C2)CC1C3 343759 SQPZRQHIJWUOJN-UHFFFAOYSA-N 284.399 3.944 0 40 CHAB O=C1CCCCCCCCCCC(=O)OCCC1 4026344 QFRZEGADDLNLLM-UHFFFAOYSA-N 254.370 3.794 0 40 CHAB biogenic Cc1ccc(O[C@H](C)c2nc(-c3ccncc3)no2)cc1 4433155 HWBLRRAHNBJSPB-GFCCVEGCSA-N 281.315 3.580 0 40 CHAB Cc1ccc(CC(=O)N2CCCc3ccccc32)cc1C 7608309 QOITWINQWKTLJV-UHFFFAOYSA-N 279.383 3.825 0 40 CHAB C[C@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)NCCC[C@H]12 8615826 GWLZIXUQGCRFNW-ZBLLQYKHSA-N 289.463 3.652 0 40 CHAB CCC[C@H](C)c1nnc(NC(=O)c2ccc(F)cc2)s1 815552 AYYCWNHBILKUOW-VIFPVBQESA-N 293.367 3.833 0 40 CHAB CCOc1cccc(NC(=O)/C=C/c2ccccc2OC)c1 9816295 QXCDMQLEVGDFIL-VAWYXSNFSA-N 297.354 3.746 0 40 CHAB Cc1nc(NCCCc2ccccc2O)c2ccsc2n1 55119539 DYSRADVFGBGXLP-UHFFFAOYSA-N 299.399 3.750 0 40 CHAB COCc1cccc(NC(=O)CSc2ccccc2)c1 26032035 FVJUGUCDRGNMPL-UHFFFAOYSA-N 287.384 3.564 0 40 CHAB O=C(/C=C/c1cccs1)N1CCC[C@H]1c1ccncc1 27269607 VDWSJLARFNLDCF-NFAHFFEMSA-N 284.384 3.520 0 40 CHAB CC(=O)Nc1ccc(C(=O)Oc2ccc(Cl)cc2)s1 12683487 LZNSFKZZSYUEIJ-UHFFFAOYSA-N 295.747 3.579 0 40 CHAB CCOc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 22560807 IIBFZFKDKPOMMC-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB CC[C@@H](C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 12981402 PNWQTSXWAQTERF-SNVBAGLBSA-N 292.379 3.858 0 40 CHAB Cc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 13131797 YEDIBVFJZQKFGD-IRXDYDNUSA-N 290.370 3.733 0 40 CHAB aggregator C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccncc1 65542812 LBMMXSGKTNQGST-JTQLQIEISA-N 291.301 3.585 0 40 CHAB CC(C)CNC(=O)COc1ccc(Cl)c2ccccc12 5341298 OISGZICTRRSJSX-UHFFFAOYSA-N 291.778 3.644 0 40 CHAB Clc1ccc(NC2=NN=C(c3ccco3)CS2)cc1 14226323 NSGRCMZLCSEOBO-UHFFFAOYSA-N 291.763 3.852 0 40 CHAB Cc1c(CC=C(Cl)Cl)c(=O)[nH]c2ccccc12 4786222 OJNISNKGKKFFDZ-UHFFFAOYSA-N 268.143 3.698 0 40 CHAB O=C(Cc1cccs1)Nc1nc2ccc(F)cc2s1 6839350 ROZXGPSMRAMAPG-UHFFFAOYSA-N 292.360 3.678 0 40 CHAB COc1ccc(-c2csc(-c3ccccn3)n2)cc1OC 7845355 SBBARCNESDEXDF-UHFFFAOYSA-N 298.367 3.889 0 40 CHAB COc1ccc(C[C@H](C)Nc2c(C)noc2C2CC2)cc1 97162395 FFVZBYQVKLLPLC-NSHDSACASA-N 286.375 3.912 0 40 CHAB CSc1cccc(NC(=O)c2c(F)cccc2F)c1 9544579 MTARKBBRTBASBH-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB CC[C@H](C)Sc1nnc(-c2cc(OC)cc(OC)c2)o1 78836544 GILVHTUITCTWNS-VIFPVBQESA-N 294.376 3.644 0 40 CHAB CCc1ccc(OC(=O)Cc2c(CC)noc2CC)cc1 79069037 OVDBGSXFXIGPAL-UHFFFAOYSA-N 287.359 3.510 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1cncc2ccccc12 89762696 IMZAGSRTOVZPED-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB CO[C@H](C)c1nc(CSc2ccncc2)cs1 89913581 ANYNXBNVLMCBKN-SECBINFHSA-N 266.391 3.538 0 40 CHAB C[C@H]1CCC[C@]2(C1)NCCc1c2[nH]c2ccccc12 32666103 LPEYZMKDCFQJKR-YVEFUNNKSA-N 254.377 3.719 0 40 CHAB FC(F)(F)c1cccc(COc2ccccn2)c1 36719672 XIYNJDLFJQIJKA-UHFFFAOYSA-N 253.223 3.679 0 40 CHAB O=C(NCC1(c2ccc(F)cc2)CC1)Nc1cccs1 38489658 HLESGOPCDBRMLE-UHFFFAOYSA-N 290.363 3.741 0 40 CHAB FC(F)(F)c1cccc(-c2ccnc(Cl)n2)c1 38580128 NJFWOTADMZCHSZ-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB Cc1cncc([C@@H]2CCCN2C(=O)OCc2ccccc2)c1 72211338 CNNXNFYXILWPFP-KRWDZBQOSA-N 296.370 3.864 0 40 CHAB Cc1ccc(-c2nnc(CO[C@H]3CCC[C@H](C)C3)o2)o1 521393914 DUIRTUCVOALGLO-JQWIXIFHSA-N 276.336 3.733 0 40 CHAB COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@@]2(C)C(=O)CC=C12 32099744 DBDQZTGTJUICAZ-NSPYISDASA-N 296.366 3.929 0 40 CHAB O=C(c1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1 45038698 HVZFAPOUXFVZBF-UHFFFAOYSA-N 285.652 3.985 0 40 CHAB O=C(NCc1cccs1)c1cc(-c2ccco2)cs1 72243234 JKCFFRLTHMBXLG-UHFFFAOYSA-N 289.381 4.000 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(=S)[nH]c1 72216999 XOCFYXWASNGGOZ-NSHDSACASA-N 280.393 3.816 0 40 CHAB COc1cc(C)c(C(=O)N[C@H](C)C(C)C)cc1C(C)C 225235474 KBMWSOYIZWUWSA-CYBMUJFWSA-N 277.408 3.901 0 40 CHAB CC[C@](C)(OC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225604252 AFSDFGCORRFSAY-KRWDZBQOSA-N 293.407 3.844 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1ccc(F)cc1F 85423438 OHXFJIVXEGTLON-LLVKDONJSA-N 269.335 3.911 0 40 CHAB CCCCNCc1ccc(Br)c(C)c1 85706651 CGVLWJZXXXOGLC-UHFFFAOYSA-N 256.187 3.647 0 40 CHAB CCOc1cccc(CNC(=O)Cc2ccc(C)cc2C)c1 224605699 TWHXLAMKQWBQSX-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB CCc1cnc(CNc2cccc(-c3ccnc(C)n3)c2)o1 195539596 NEUQXGIFQLETBG-UHFFFAOYSA-N 294.358 3.615 0 40 CHAB O=C(NCc1ccc2ccccc2c1)NC1CCCCC1 222824424 VEKKXASVOPOPAV-UHFFFAOYSA-N 282.387 3.972 0 40 CHAB CCOC(=O)c1ccc(-c2ccc(C)cc2)nc1C 44672199 OAEOOOKZIMODSV-UHFFFAOYSA-N 255.317 3.542 0 40 CHAB Cc1ccc(C)c(OCCNC(=O)c2cc(C)ccc2C)c1 224046550 GNUGRBLHULJOHO-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB c1csc(CN2CC[C@H](c3nc4ccccc4o3)C2)c1 49168889 PXFNZPCQUHNHLH-LBPRGKRZSA-N 284.384 3.879 0 40 CHAB biogenic,in-vitro COc1cc(SC)ccc1NC(=O)c1ccc(C)o1 192713395 KHICUFLLYABUGD-UHFFFAOYSA-N 277.345 3.571 0 40 CHAB CC(C)c1ccccc1O[C@@H](Cc1ccccc1)C(=O)O 225013884 HQWDXGYZIJEWSE-KRWDZBQOSA-N 284.355 3.885 0 40 CHAB O=C(NCCC1=CCCCC1)c1ccc(-c2cnco2)cc1 47410672 IMYSQJJWSQRPEX-UHFFFAOYSA-N 296.370 3.962 0 40 CHAB O=C(c1ccc(Br)cc1)c1cc(F)ccc1O 2243256 ZGEUWDAGZZILEA-UHFFFAOYSA-N 295.107 3.525 0 40 CHAB CCCCOc1ccc(O)c(C(=O)CCCC)c1 5417698 HMFSNCTYRFSRRQ-UHFFFAOYSA-N 250.338 3.944 0 40 CHAB COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 12806120 UAECSRVSQLDHEK-HNNXBMFYSA-N 299.395 3.662 0 40 CHAB CCOc1ccc(NCc2ccc(O)c(OCC)c2)cc1 19902167 HYGKSGUWWRFJKE-UHFFFAOYSA-N 287.359 3.802 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc(Br)c[nH]2)c1 15554467 KAFCGRBORMXOMX-UHFFFAOYSA-N 293.164 3.646 0 40 CHAB Cc1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1N 21509061 REENFCDVERALJN-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB C[C@@H]1c2ccsc2CCN1C[C@@H](O)c1ccccc1F 26908492 XVNKBBUKWDENTD-IAQYHMDHSA-N 291.391 3.540 0 40 CHAB CCOC(=O)c1ccc(OCc2ccccc2)cc1C 43503422 IHGIPRPBWSHPNH-UHFFFAOYSA-N 270.328 3.751 0 40 CHAB Oc1cccc(Nc2ncnc3sc4c(c23)CCC4)c1 250259 RPIYLXIDWPPFGC-UHFFFAOYSA-N 283.356 3.629 0 40 CHAB CCOc1nnc(Cc2ccccc2)c2ccccc12 334608 APYGPUAXPXWMDD-UHFFFAOYSA-N 264.328 3.619 0 40 CHAB COc1cccc(C(=O)Nc2ccc(C)cc2C)c1OC 496411 DKVVJUGOVPAOQP-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB O=C(O)[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 2539894 DRKGAIBVTVXIIB-ZDUSSCGKSA-N 295.260 3.943 0 40 CHAB Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1 3554452 RSELTUWPUUHCKW-UHFFFAOYSA-N 265.312 3.671 0 40 CHAB c1ccc(N2N=N[C@@H]3[C@@H]2[C@H]2C[C@@H]3[C@H]3CCC[C@H]23)cc1 4900829 DWLOBJXBLYSGOT-IATJYDTKSA-N 253.349 3.677 0 40 CHAB CSc1nc(C)cc(Nc2ccc(C)cc2C)n1 11907757 SVSZYXXXGQZGPW-UHFFFAOYSA-N 259.378 3.867 0 40 CHAB CC1=C(C)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2C1 105626035 RSTTZEFIQUOSMC-KBPBESRZSA-N 289.762 3.576 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1ccc2cc[nH]c2c1 33245811 YUJZQIUVORAILX-UHFFFAOYSA-N 268.291 3.868 0 40 CHAB CC[C@H](C)Nc1nc(-c2ccncc2)nc2ccccc12 521179 OHYKXVHFZSEFPR-LBPRGKRZSA-N 278.359 3.902 0 40 CHAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 521066 XYKLSOOUVLSMMB-HNNXBMFYSA-N 282.343 3.676 0 40 CHAB CCOc1ccc(C(=S)NCCc2ccccc2)cc1 9188104 QIWKVOFGZBABOT-UHFFFAOYSA-N 285.412 3.593 0 40 CHAB C[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)C1CC1 55397485 HWALXOCGHCPFAC-LBPRGKRZSA-N 290.370 3.902 0 40 CHAB Cc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)s1 3240222 OVWOBPDMHKPQDH-UHFFFAOYSA-N 294.759 3.750 0 40 CHAB O=C(O)CCCC(=O)c1ccc(Oc2ccccc2)cc1 2378694 ZALMNZZANOZMRV-UHFFFAOYSA-N 284.311 3.917 0 40 CHAB CC[C@@H](C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 28505373 PGXNEBCSWMOVFJ-CYBMUJFWSA-N 282.387 3.830 0 40 CHAB c1nc(N2CC[C@@H]3CCCC[C@H]3C2)c2sccc2n1 28619966 WGDCDQFDPIRWKE-RYUDHWBXSA-N 273.405 3.708 0 40 CHAB Fc1cc2nc(C(F)(F)F)nc(Cl)c2cc1F 38534265 MSNSPIDDPQQOGC-UHFFFAOYSA-N 268.572 3.580 0 40 CHAB Fc1cc(F)c(SCc2nnc(C3CC3)o2)c(F)c1 63537772 JOAHUQKIXAJREQ-UHFFFAOYSA-N 286.278 3.657 0 40 CHAB COc1ccc(C(=O)Oc2cccc(C)c2C)cc1OC 4313797 HVLINKAMRDDAQQ-UHFFFAOYSA-N 286.327 3.540 0 40 CHAB Cc1ccc(-c2cc(C(=O)N3CCC3)c3ccccc3n2)o1 5422773 CFYCXUKQOLRXFH-UHFFFAOYSA-N 292.338 3.649 0 40 CHAB Cc1ccc2c(C(=O)CN3CCCC[C@H]3C)c(C)[nH]c2c1 4871568 QJTXDDLFTGPNNU-CYBMUJFWSA-N 284.403 3.842 0 40 CHAB O=C(CCc1ccccc1)NCCSC1CCCCC1 409174102 RXEQASLSOGLWGD-UHFFFAOYSA-N 291.460 3.801 0 40 CHAB c1ccc(Cc2nnc3sc(C4CCCCC4)nn23)cc1 7089682 YZGIVZWGGLGKDC-UHFFFAOYSA-N 298.415 3.824 0 40 CHAB COc1cccc(NC(=O)CCCc2cccs2)c1 16029583 ICRFBYBEWXLWIY-UHFFFAOYSA-N 275.373 3.718 0 40 CHAB CCOc1ccc2oc(C(=O)NCc3ccco3)c(C)c2c1 7752489 QZPCMGWCYQQARU-UHFFFAOYSA-N 299.326 3.663 0 40 CHAB COc1ccc(Cl)cc1NC(=O)C[C@H]1C=CCC1 7941055 QRQRGIQEUFTJAR-JTQLQIEISA-N 265.740 3.643 0 40 CHAB Cc1cc(CN(C)[C@@H](c2ccccc2)C(F)(F)F)on1 69565617 FULVCTZUKLFTFD-ZDUSSCGKSA-N 284.281 3.718 0 40 CHAB Cc1csc(CNc2cc(C)c(Br)cn2)n1 97231675 RJTSXGNIORNZNL-UHFFFAOYSA-N 298.209 3.530 0 40 CHAB CC(C)Cc1noc(CN2c3ccccc3CC[C@H]2C)n1 78241838 KZSKUAJENIDMOM-CYBMUJFWSA-N 285.391 3.609 0 40 CHAB C[C@@H](Sc1ncc2ccccn12)c1cccnc1 79576199 MBSRKSNIXJQOKY-LLVKDONJSA-N 255.346 3.583 0 40 CHAB C[C@@H](NC(=O)c1ccc[nH]c1=S)c1ccc(Cl)cc1 9995960 RKTNDGUNVZWDGZ-SECBINFHSA-N 292.791 3.889 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)c1cccc(F)c1 21638400 XCJARCIJXSDHTJ-JTQLQIEISA-N 275.348 3.647 0 40 CHAB O=C1c2cc3ccccc3cc2C(=O)N1c1ccccc1F 408733407 IHEOOSITDCVTQJ-UHFFFAOYSA-N 291.281 3.780 0 40 CHAB O=C(Nc1ccc2sc(C(=O)O)cc2c1)c1ccccc1 20136075 HOKHTDLHCTUXBL-UHFFFAOYSA-N 297.335 3.852 0 40 CHAB CC(C)Cn1cc(Nc2ncncc2-c2ccccc2)cn1 539193656 LIPYEKGRJVADSP-UHFFFAOYSA-N 293.374 3.740 0 40 CHAB c1cc2c(s1)[C@H]1CCCC[C@H]1O[C@]21CN2CCC1CC2 6668060 YOTNJKHOKZAJDD-LXZKKBNFSA-N 289.444 3.725 0 40 CHAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCCN1C 72219234 QAIJQHZQPHXPMR-INIZCTEOSA-N 273.424 3.537 0 40 CHAB CCOc1ccccc1CNC(=S)Nc1ccccc1 44843006 CVIBRXFRRYCMAM-UHFFFAOYSA-N 286.400 3.572 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1[Si](C)(C)C 196114375 BSZHRPQJZZLGMD-NSHDSACASA-N 257.450 3.653 0 40 CHAB CCOC(CCCCCCO[C@@H]1CCCCO1)OCC 43503332 ADXHPTGEFWYKBY-INIZCTEOSA-N 288.428 3.879 0 40 CHAB CCOc1ccccc1C(=O)CCC(=O)c1cccs1 199402409 QBDWDLLXMDLMTM-UHFFFAOYSA-N 288.368 3.993 0 40 CHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)C(C)C 225230566 GHSFOPHDBRMULR-CABCVRRESA-N 277.408 3.622 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(C=Nc3ccccc32)CC1 44185082 PFBAHEULGWNDNK-UHFFFAOYSA-N 286.375 3.671 0 40 CHAB Cc1ccc([C@H]2CSCCN2C(=O)c2ccsc2)o1 98014012 HWKBMZVPXKMENS-GFCCVEGCSA-N 293.413 3.580 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)cc1)c1ccsc1 390831501 SEKAENPDVJRQIR-UHFFFAOYSA-N 283.352 3.938 0 40 CHAB Cc1cccc2c(CO)cc(-c3cccs3)nc12 685937332 NOUMIDYIDWPASR-UHFFFAOYSA-N 255.342 3.764 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1 3607520 WQDQVPJNEWENQF-NSHDSACASA-N 275.735 3.746 0 40 CHAB Cc1ccc(NC(=O)c2cc(Cl)cnc2Cl)cc1 166839 KTYNZJJMNKGTSU-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB O=C(NCc1ccccc1F)c1ccc2c(c1)CCCC2 5405463 YWMINWVEHIAMSM-UHFFFAOYSA-N 283.346 3.635 0 40 CHAB CCOc1ccc(C(=O)c2ccc(Cl)c(N)c2)cc1 19772400 NTQJUAGWYWTYTL-UHFFFAOYSA-N 275.735 3.552 0 40 CHAB C[C@]1(O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CO)[C@@H](CC[C@H]21)C3 248021539 LZAZGDZVFQSCFO-OZILUUJQSA-N 292.463 3.753 0 40 CHAB biogenic,in-vitro CCCCC[C@H](/C=C/C(=O)OCC)O[C@@H]1CCCCO1 1857788557 GSEOPYZMKPSQQR-ODRPYRSTSA-N 284.396 3.598 0 40 CHAB O=C(NCCc1ccc(Cl)cc1)c1ccc2cc[nH]c2c1 32476862 HIESKAITNCKATB-UHFFFAOYSA-N 298.773 3.794 0 40 CHAB CCNCc1cccn1-c1cccc(C(F)(F)F)c1 113704048 FQNSQHDZVKOLMS-UHFFFAOYSA-N 268.282 3.606 0 40 CHAB Cc1nc(C)c(C(=O)N2CC=C(c3ccccc3)CC2)s1 31111400 JZYASOAGXHYAPJ-UHFFFAOYSA-N 298.411 3.689 0 40 CHAB CC[C@@H](C)N1C(=O)c2ccccc2NC12CCCC2 66130207 BQPMBTKYPAIELJ-GFCCVEGCSA-N 258.365 3.623 0 40 CHAB CC(C)c1ccccc1C(=O)[C@H]1CC[C@@H](C(=O)O)CC1 100080546 DMGDRRLSYISNSU-JOCQHMNTSA-N 274.360 3.884 0 40 CHAB CC(C)c1nnc(CN(C[C@H]2C[C@H]3C=C[C@H]2C3)C(C)C)o1 101067156 FECOHDFYQWUDRE-SOUVJXGZSA-N 289.423 3.616 0 40 CHAB O=C1O[C@H](Nc2nc3ccccc3s2)c2ccccc21 100246 ZQZXHLHDXZSDLU-ZDUSSCGKSA-N 282.324 3.577 0 40 CHAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)O)cc1 11865218 ZSTMYNHIGYVMMR-UHFFFAOYSA-N 298.294 3.815 0 40 CHAB biogenic Oc1ccc(SC(F)(F)[C@@H](F)C(F)(F)F)c(O)c1 549583 SSJAJMAXKCAXDM-ZETCQYMHSA-N 292.200 3.683 0 40 CHAB CCCN(C(=O)CC)c1nnc(-c2cccc(C)c2)s1 1345438 ZOMQWUOYDSMFTL-UHFFFAOYSA-N 289.404 3.667 0 40 CHAB Cn1c(SCc2ccccc2)nnc1-c1ccc(F)cc1 3284511 NWNGHWNYCXFIPC-UHFFFAOYSA-N 299.374 3.914 0 40 CHAB O=C(Nc1ccc(Cl)cn1)c1cc(-c2ccccc2)on1 2791272 JLXPAMWBJXPSSO-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB COc1cc(CNC2CC2)ccc1OCc1ccccc1 8471970 XFEHLCGMEAXYNK-UHFFFAOYSA-N 283.371 3.526 0 40 CHAB Cc1csc(CNC(=O)c2cccc3ccccc23)n1 41528154 XWDZIUSLPKGRBT-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)N1CCCc2ccccc21 579851 DQSQYYDQCHLBJL-GOSISDBHSA-N 295.382 3.823 0 40 CHAB Cc1ccc2c(c1)[nH]c1c(N3CCC(C)CC3)ncnc12 534141 LNYXHOLDNBXQGE-UHFFFAOYSA-N 280.375 3.656 0 40 CHAB CCOc1cccc(CNC(=O)c2ccc(Cl)cc2)c1 20483968 STWVCWTZXXOUQD-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB CC(=O)OC[C@]12COC3(CCCC3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 100152170 DNFFPEBVRBASNE-OTRWWLKZSA-N 292.419 3.727 0 40 CHAB Cc1ncc(CN(Cc2cccnc2)Cc2ccco2)s1 97080440 OFLYLKNABIZKPU-UHFFFAOYSA-N 299.399 3.642 0 40 CHAB CCOC(=O)N(Cc1ccccc1)Cc1ccccc1 1668420 BLWBDENLMKYRDT-UHFFFAOYSA-N 269.344 3.845 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10321921 BUCRDNJATNFKPP-WFASDCNBSA-N 291.354 3.596 0 40 CHAB O=C(CSC1CCCCC1)Nc1cccnc1Cl 3398953 COCDURHQARMDCN-UHFFFAOYSA-N 284.812 3.739 0 40 CHAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)no1 11038951 AHGQRFYGFHEAGY-GFCCVEGCSA-N 295.342 3.575 0 40 CHAB COc1ccc(C(=O)c2ccccc2CN2CCCC2)cc1 2515547 XDDLZEZPXRJSJS-UHFFFAOYSA-N 295.382 3.522 0 40 CHAB CC[C@H](C)C(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C 12855568 CVLXCKGVQHZMNI-KBPBESRZSA-N 299.418 3.712 0 40 CHAB Cc1cccc(C)c1NC(=O)CCC(=O)c1ccccc1 49878165 FAIYKGAXOKPUTH-UHFFFAOYSA-N 281.355 3.905 0 40 CHAB Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 20111369 QCRBCUDEXDXCQK-AWEZNQCLSA-N 285.362 3.944 0 40 CHAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1O 6668520 VWBJONZJHGUDPA-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB Cc1ccc(NC(=O)CCc2c(C)noc2C)cc1Cl 7400958 ACWVYOHEFNRWBM-UHFFFAOYSA-N 292.766 3.825 0 40 CHAB C[C@@H](Oc1ccc2c(c1)CCCC2=O)c1nc(C2CC2)no1 69488539 ALVWKBOVHDKBSS-SNVBAGLBSA-N 298.342 3.606 0 40 CHAB N[C@H]1CCCCc2c1[nH]c1ccc(Br)cc21 96978878 UFGUZGRZKTZRAB-NSHDSACASA-N 279.181 3.657 0 40 CHAB COc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(C)n2)cc1 97142745 URQWONIIXHRSMQ-CYBMUJFWSA-N 299.374 3.624 0 40 CHAB CSCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 72515968 PURDSDYTQDANNH-UHFFFAOYSA-N 292.429 3.728 0 40 CHAB CCO[C@@H]1CCCN(C(=O)NCC2CCCCCCC2)C1 84801028 BHGQFGKQJZRTLJ-MRXNPFEDSA-N 296.455 3.557 0 40 CHAB CCO[C@H]1C[C@H](NCc2cccc(OC)c2)C12CCCC2 85679962 OBCFGXJHXMMKAL-IRXDYDNUSA-N 289.419 3.523 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C)c1 113959325 WNBIBSXZRGKZBU-SFHVURJKSA-N 297.398 3.777 0 40 CHAB Cc1cc(CNC2(c3ccccc3)CCCCC2)on1 89608701 ALPIWXVZAUJBAI-UHFFFAOYSA-N 270.376 3.932 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)c1cc(F)ccc1F 28210795 DQFHUUBFBFDKSQ-GFCCVEGCSA-N 289.325 3.716 0 40 CHAB COc1ccc2c(c1)O[C@@H](C)C1=C2CC[C@]2(C)C(=O)CC=C12 32099742 DBDQZTGTJUICAZ-WLRWDXFRSA-N 296.366 3.929 0 40 CHAB C[C@@H]1CCCCN1Cc1cc(F)ccc1Br 309493354 BOSGIPZDZKMRID-SNVBAGLBSA-N 286.188 3.963 0 40 CHAB CC[C@H](C)n1cc(Cl)c(COCC(F)(F)F)n1 408715679 CKAXUZRRVZHXFT-ZETCQYMHSA-N 270.682 3.586 0 40 CHAB Cc1c(N)cc(N)cc1-c1nc2cc(Cl)ccc2o1 216735880 USHHPJLRZJWQBI-UHFFFAOYSA-N 273.723 3.621 0 40 CHAB Cc1cc(C)c2oc(=O)cc(CN3CCCC[C@H]3C)c2c1 4340540 VWTDWWJXPHNTEY-CQSZACIVSA-N 285.387 3.784 0 40 CHAB biogenic CC(=O)N1CCCC[C@@H]1c1cccnc1SC(C)C 72217576 VNXLTMACWSZHIS-CQSZACIVSA-N 278.421 3.656 0 40 CHAB COc1cccc(C(=O)Nc2cnc(C)c(Cl)c2C)c1 72265149 PWAVOSHMGGNKDH-UHFFFAOYSA-N 290.750 3.613 0 40 CHAB Cc1cc(F)ccc1-c1ccc([C@H]2C[C@H]2C(=O)O)o1 70452833 LEFFUGLUDJNNAR-NWDGAFQWSA-N 260.264 3.582 0 40 CHAB c1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1 55211066 NUCZYEHNXNPWBA-GOSISDBHSA-N 260.340 3.670 0 40 CHAB Cc1cccc(-c2noc(-c3cccc(N)c3C)n2)c1 45894379 FMZXCRKLHATHTR-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C 225603645 IASDPIYMPUGCLB-CXAGYDPISA-N 293.407 3.926 0 40 CHAB CC(C)[C@H](C)NC(=O)C1(c2ccccc2)CCCC1 194046968 HADHGFJXAHMETH-AWEZNQCLSA-N 259.393 3.659 0 40 CHAB Cc1ccc(CCC(=O)N(C)C2CCCCC2)cc1 44844590 PXHOWKPZXBUVNK-UHFFFAOYSA-N 259.393 3.719 0 40 CHAB CCCN(CCCC(=O)O)c1ccc(C(C)C)cc1 224985974 JCBFDIHZAMSMPV-UHFFFAOYSA-N 263.381 3.891 0 40 CHAB Oc1ccc(-n2cccc2)cc1-c1nc2ccccc2o1 226281668 XBLMVPNKVPPVFY-UHFFFAOYSA-N 276.295 3.991 0 40 CHAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1 225632904 XLHHRVLSCFRCTK-SUMWQHHRSA-N 291.391 3.619 0 40 CHAB COc1ccccc1-c1nc(/C=C/c2ccccc2)no1 80341535 ZYIBWPYYYADLJG-VAWYXSNFSA-N 278.311 3.916 0 40 CHAB C[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 199492240 MMVUDSFPAHIXHE-GFCCVEGCSA-N 250.301 3.888 0 40 CHAB CCN(CC)CCOC(=O)C[C@H](C)c1cc(C)ccc1C 255190704 YXNWRLYGRLVNMZ-INIZCTEOSA-N 291.435 3.682 0 40 CHAB Cc1ccc(C(=O)c2cc(F)c(F)cc2F)cc1F 95916959 FOYZNCQUAWZQGQ-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB CC1(C)C[C@](CC(=O)O)(c2ccc(Cl)cc2)CCO1 5419055 YNABYQNSRTUFHW-HNNXBMFYSA-N 282.767 3.642 0 40 CHAB COc1c(C)cccc1C(=O)Nc1ccc(C)c(C)c1 14258161 UOWHISRCVBLTMU-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB CC(C)(C)C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 4107386 ODUXPMHWVRMBGH-UHFFFAOYSA-N 299.374 3.600 0 40 CHAB CC[C@H](C)NC(=S)Nc1ccc(C(C)C)cc1 7522286 CYMZPBZKXYVBRX-NSHDSACASA-N 250.411 3.895 0 40 CHAB O=C1NC2=C(CCc3ccccc32)[C@@H](c2ccc(F)cc2)N1 9108673 DJVXFQDWSJGVAJ-MRXNPFEDSA-N 294.329 3.537 0 40 CHAB O=C(CC(=O)c1ccccc1O)c1cccc(Cl)c1 113704353 LUGYUAGYSHVYDB-UHFFFAOYSA-N 274.703 3.501 0 40 CHAB CCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 52068 QPVSDGIAXFALKT-UHFFFAOYSA-N 295.795 3.521 0 40 CHAB O[C@@H](CNc1ccc(Br)cc1)c1ccccc1 32152560 XFRALYJTWIROQI-AWEZNQCLSA-N 292.176 3.595 0 40 CHAB in-vitro CC(C)NC[C@@H](O)CC(c1ccccc1)c1ccccc1 243 DAIZVBCVNQSHLI-SFHVURJKSA-N 283.415 3.568 0 40 CHAB in-man CC(=O)Oc1ccc(C(C)c2ccc(OC(C)=O)cc2)cc1 390422 ORQMVCVOZQYMNP-UHFFFAOYSA-N 298.338 3.689 0 40 CHAB CCCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21 2668946 NXTHRGWVVHSRTM-UHFFFAOYSA-N 297.354 3.740 0 40 CHAB CC(=O)N(Cc1ccco1)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C 4094038 UYZWGOWZOGYDPO-ZQIUZPCESA-N 275.392 3.867 0 40 CHAB Cc1nc(C)c(C(=O)N[C@@H](C)CCc2ccccc2)s1 32999963 MIQNBVHQBCLXNZ-NSHDSACASA-N 288.416 3.511 0 40 CHAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccccc1 480244 NRXYSTCCNSQAPY-UHFFFAOYSA-N 295.363 3.549 0 40 CHAB COc1ccc([C@@H](O)c2coc3ccc(OC)cc23)cc1 489860 WVKKPNQRAKDHIU-QGZVFWFLSA-N 284.311 3.532 0 40 CHAB biogenic O=C(c1ccccc1)c1cc(Cl)c(O)c(Cl)c1 6095865 HPTDNMHBDPOVLZ-UHFFFAOYSA-N 267.111 3.930 0 40 CHAB Cc1ccc([C@H]2C[C@@H](C(F)F)n3nc(C)cc3N2)cc1 2784738 WDDIQTCHKILZSD-OLZOCXBDSA-N 277.318 3.863 0 40 CHAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1 9064157 KHESNVSOTWBWND-UHFFFAOYSA-N 298.411 3.684 0 40 CHAB Cc1ccc(C)c([C@@H](C)N[C@@H](C)Cc2ccncc2)c1 97017215 YYCYGAYKZMTBML-JKSUJKDBSA-N 268.404 3.980 0 40 CHAB Cc1nc(-n2cnc3ccccc32)c2c(C)c(C)sc2n1 12595919 CHEAPFFRIWMJHQ-UHFFFAOYSA-N 294.383 3.955 0 40 CHAB CCn1nc(NC(=O)C(C)C)c2cc3cccc(C)c3nc21 1283278 ZHOQKMFGHUIIDV-UHFFFAOYSA-N 296.374 3.507 0 40 CHAB O=C(NC1CCC(c2ccccc2)CC1)c1ccncc1 25097601 LUTYTTNSUVVQLB-UHFFFAOYSA-N 280.371 3.538 0 40 CHAB C[C@H](NC(=O)/C=C/c1cccs1)[C@H]1C[C@H]2CC[C@H]1C2 108051443 NHTFWWAFMBTKOR-PDJQAUMUSA-N 275.417 3.702 0 40 CHAB C[C@H]1CCN(C(=O)NCc2ccco2)[C@H](c2ccco2)C1 76082530 PNERRZFEBSPRMS-JSGCOSHPSA-N 288.347 3.555 0 40 CHAB CC(C)n1cnc2c(-c3ccc(F)cc3)csc2c1=O 35512143 YYXDKRPQTQOPMK-UHFFFAOYSA-N 288.347 3.845 0 40 CHAB O=C(Nc1ccc(Cl)c2cccnc12)c1ccncc1 57553842 PVXXCPOYRSZCDC-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc(F)cc1 10311118 ZBNGQZHPUWGJJV-KRWDZBQOSA-N 298.361 3.601 0 40 CHAB O=C(NC1CCCCCC1)c1nccc2ccccc12 58370471 FXEPYOCTHAWXIZ-UHFFFAOYSA-N 268.360 3.687 0 40 CHAB COc1cc2ccccc2cc1C(=O)N(C)C1CCCC1 22527024 QOVXKQOBRPLCKW-UHFFFAOYSA-N 283.371 3.863 0 40 CHAB CCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 36625145 AGHRXECWULIGPF-LLVKDONJSA-N 269.797 3.793 0 40 CHAB CCCCC[C@H](C)NC(=O)[C@@H](CC)Oc1ccccc1 2494965 YOLLAQNVBDXOGS-GOEBONIOSA-N 277.408 3.929 0 40 CHAB O=C(Nc1ccccc1Br)c1ccsc1 12853812 DYUCKKPJRKDLBM-UHFFFAOYSA-N 282.162 3.763 0 40 CHAB Cc1ccc(COC(=O)c2ccc3ccccc3n2)cc1 3513636 QHADRABYZYTIBH-UHFFFAOYSA-N 277.323 3.900 0 40 CHAB CC1CCN(c2ncnc3c2oc2ccccc23)CC1 4019043 RGJKHDQETLRDDI-UHFFFAOYSA-N 267.332 3.612 0 40 CHAB Brc1c(-c2ccccc2)nc2sccn12 65010517 NQNSIIXWVDFAEI-UHFFFAOYSA-N 279.162 3.825 0 40 CHAB Cc1ccc(CNCc2ccc(Cn3cccn3)cc2)s1 84205560 RISMQCJGZZJAQP-UHFFFAOYSA-N 297.427 3.591 0 40 CHAB Cc1ccc(-c2nc(C(=O)N3CCCCC3)cs2)cc1 14232469 UGTPPKIFZLNJHI-UHFFFAOYSA-N 286.400 3.745 0 40 CHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(C)(C)C 20136887 BJGJRBQOHSMFPY-UHFFFAOYSA-N 287.359 3.732 0 40 CHAB COc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 4722524 JMYZCWGLUMRFJS-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cn2ccc(C)cc2n1 7286558 AHCRYFRVHFPPSM-UHFFFAOYSA-N 293.370 3.766 0 40 CHAB C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 67785646 ZCXQGOHSCVPTID-LBPRGKRZSA-N 273.763 3.760 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 7593489 JNETWIKAVHEILJ-XPUUQOCRSA-N 275.682 3.536 0 40 CHAB FC(F)(F)CCc1ccnc(-c2cccc3c2OCC3)n1 71756933 SHLDLZORXHFXOI-UHFFFAOYSA-N 294.276 3.573 0 40 CHAB CCc1ccc(S(=O)(=O)Nc2ccccc2CC)cc1 8107505 ZSJJJVGHDWZWFK-UHFFFAOYSA-N 289.400 3.612 0 40 CHAB Cc1ccc2occ(CC(=O)N(C)Cc3ccccc3)c2c1 16753222 XWYBRIDBLQILGY-UHFFFAOYSA-N 293.366 3.942 0 40 CHAB Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)o1 16990626 NFMWRTSTDGZMMI-STQMWFEESA-N 263.381 3.923 0 40 CHAB CCCC(=O)O[C@@H](c1ccccn1)c1cccs1 69664587 SOWOGHZDGUYKIR-AWEZNQCLSA-N 261.346 3.576 0 40 CHAB O=C1S/C(=C/c2ccoc2)C(=O)N1CC1CCCCC1 409125574 BDUVQKRETLHQRZ-MDWZMJQESA-N 291.372 3.896 0 40 CHAB CC(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 69879252 PLEXJXKOGOIFCS-MRVPVSSYSA-N 294.807 3.969 0 40 CHAB CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)[C@@H](C)CC)c1 95967328 ATOQZLBCFDQYGP-KKUMJFAQSA-N 290.451 3.739 0 40 CHAB C[C@@]12CC(=O)NC[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 25543101 BPIRFNVICIHJMC-LVBQRNIJSA-N 275.436 3.755 0 40 CHAB CCCn1c(CN2CCCC[C@@H]2C)nc2ccccc21 28515307 LQFWBPPVGCCXKA-AWEZNQCLSA-N 271.408 3.821 0 40 CHAB Cc1nc2cc(NC(=O)N3CCCCC3)ccc2s1 408979875 SUOQYFNKKZLUIB-UHFFFAOYSA-N 275.377 3.623 0 40 CHAB CCCn1c(Sc2ccccn2)nnc1-c1ccccc1 409099259 KOAGSUFUWKXQHX-UHFFFAOYSA-N 296.399 3.901 0 40 CHAB CC(C)c1nc(CC(=O)N[C@@H](C)c2cccs2)cs1 31699447 IHCSUKSNLADZCX-JTQLQIEISA-N 294.445 3.748 0 40 CHAB Fc1ccc(CSc2nsc(Cl)n2)cc1F 71980744 AWRGVIDEYKGJPJ-UHFFFAOYSA-N 278.736 3.762 0 40 CHAB Cc1ccc2oc(=O)c(C(=O)Nc3ccccc3C)cc2c1 40424127 FCSXWWMASMRVEL-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB Cc1cc(C)c(C(=O)N2CCc3ccccc32)cc1C 225645774 ITMBPHRWHOKDHG-UHFFFAOYSA-N 265.356 3.815 0 40 CHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225612754 RVPWDKRLPCNTKV-KRWDZBQOSA-N 293.407 3.926 0 40 CHAB CN(C)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1 225108390 IHXHRQXVJDZCCE-OAHLLOKOSA-N 290.451 3.620 0 40 CHAB Cc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccco1 48324451 VQKBXQRRWUYJBO-JTQLQIEISA-N 262.284 3.610 0 40 CHAB O=C([C@@H]1CC=CCC1)N(Cc1ccccn1)Cc1ccco1 75170149 PHFZWYFXSJOTAQ-OAHLLOKOSA-N 296.370 3.560 0 40 CHAB CC(C)(C)OC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 96515926 GAKAKBDOIPLKAW-UHFFFAOYSA-N 290.338 3.600 0 40 CHAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O 93487869 VTCNKQPZPFNZDJ-UONOGXRCSA-N 295.423 3.925 0 40 CHAB C[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2 241930386 UIBTWBKUPSLIJQ-UJDJNWPZSA-N 275.436 3.754 0 40 CHAB O=C(/C=C/c1ccoc1)N(CCc1cccs1)C1CC1 96120313 NDUAIXZBLUUJIU-ZZXKWVIFSA-N 287.384 3.588 0 40 CHAB FC(F)n1ccnc1CSc1ncnc2ccsc12 390833620 KKYDDTQSTGMVFR-UHFFFAOYSA-N 298.343 3.575 0 40 CHAB CCCc1nccn1Cc1ccc(F)cc1Cl 70424278 KTMISAOYSVBTNS-UHFFFAOYSA-N 252.720 3.676 0 40 CHAB Cc1cccc(Nc2nnc(SCC(F)F)s2)c1 78535707 GAKZITDFJCOANP-UHFFFAOYSA-N 287.360 3.947 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(F)cc1 3608499 QSXVNLXHGMSSGP-INIZCTEOSA-N 269.319 3.633 0 40 CHAB CCCCNC(=S)Nc1cccc(Br)c1 13786932 GFSOTVVHINMGBB-UHFFFAOYSA-N 287.226 3.536 0 40 CHAB O=C(Nc1ccccc1F)Nc1c(F)cccc1F 19075128 XLHGLHZIKLCWAA-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCc2ccccc2C1 5323296 YCSRNDAFSDLRIO-UHFFFAOYSA-N 294.329 3.506 0 40 CHAB Cc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 14737964 MCFAYVXJXJGEPP-GOSISDBHSA-N 295.382 3.568 0 40 CHAB Cc1ccc(C(=O)Nc2ncc(Cl)cc2Cl)cc1 16292030 FSMCLZCIOIFXCR-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB C(=C\CSc1ccccn1)\CSc1ccccn1 5392815 MDHLQNKEYWBKQU-WAYWQWQTSA-N 274.414 3.917 0 40 CHAB O=C(Nc1ccc(F)cc1)c1ccc2ccccc2n1 2653104 FPBDBBQVZILIHA-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB COc1ccccc1N[C@H](C)c1nc(-c2ccco2)no1 27058325 VVWAPNHPARYUNR-SNVBAGLBSA-N 285.303 3.511 0 40 CHAB CN(CCC(=O)Nc1cccc(Cl)c1)C1CCCCC1 22197562 RSQBOGUOZKETPL-UHFFFAOYSA-N 294.826 3.933 0 40 CHAB CC[C@H](C(=O)c1ccc2c(c1)OCCO2)c1ccccc1 37354122 QKJUSGQUECDTIT-HNNXBMFYSA-N 282.339 3.834 0 40 CHAB FC(F)(F)c1cnc(NCc2cccnc2)c(Cl)c1 20413437 ZJXJDYDWABUYBA-UHFFFAOYSA-N 287.672 3.761 0 40 CHAB Clc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 31943933 ICULBICZDZHOKG-UHFFFAOYSA-N 286.718 3.655 0 40 CHAB CCN(CC)C(=O)Oc1ccc(Cl)c2cccnc12 105664 LCTBGKGAFQLOSY-UHFFFAOYSA-N 278.739 3.729 0 40 CHAB O=C(CSc1nncc2ccccc12)c1ccccc1 177361 BZNSKRCYRXEKFP-UHFFFAOYSA-N 280.352 3.605 0 40 CHAB COc1ccc(-c2cc(OC)c3ccccc3n2)cc1 346091 YTWHBYPYZLSPLQ-UHFFFAOYSA-N 265.312 3.919 0 40 CHAB CCc1cc2c(NCCc3ccccc3)ncnc2s1 354169 KNLDGAXAUFAWRT-UHFFFAOYSA-N 283.400 3.908 0 40 CHAB CCN(Cc1nnc(C(C)C)o1)Cc1ccccc1C 60372794 NFIPHKIDSRRZNV-UHFFFAOYSA-N 273.380 3.524 0 40 CHAB O=C(O)[C@@H]1CC2(CC[C@H]1c1ccccc1)SCCS2 1644714 NPAMBDXBAONOKE-QWHCGFSZSA-N 294.441 3.831 0 40 CHAB CC(C)C(=O)OC1(C[C@H]2CCCCN2C)CCCCC1 1666112 CKEBQOGILHINAE-OAHLLOKOSA-N 281.440 3.763 0 40 CHAB O=C1O[C@@](Cl)(C(Cl)(Cl)Cl)c2ccccc21 4917551 VFTIEGAAXQZMIT-MRVPVSSYSA-N 285.941 3.619 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NCCC2=CCCCC2)cc1 6502159 MOASTVGEHHTYQV-OAHLLOKOSA-N 287.403 3.769 0 40 CHAB COc1ccccc1NC(=S)Nc1cc(F)ccc1C 6966937 NFOVNPZCAZHSMW-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB COC(=O)/C(=C\c1cccc(N)c1)c1ccc(Cl)cc1 8627111 NALGOOKMPXVGJA-GDNBJRDFSA-N 287.746 3.636 0 40 CHAB Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 21958152 LWBBHILLRSDOGX-UHFFFAOYSA-N 280.249 3.540 0 40 CHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1cccs1 37493377 DEETYUQUULRPFT-CQSZACIVSA-N 297.383 3.602 0 40 CHAB COc1ccc(-c2cc3c4nc(C)n(C)c4ccn3c2)cc1 1270581 DZJUEUMEHHDPJD-UHFFFAOYSA-N 291.354 3.810 0 40 CHAB C[C@H](OC(=O)c1nccc2ccccc12)c1nccs1 76094552 RSHANNOIAONGBU-JTQLQIEISA-N 284.340 3.609 0 40 CHAB CCCOc1ccc(C(=O)Cc2ccccc2)cc1 2270722 KKJOKVZRPZPTFV-UHFFFAOYSA-N 254.329 3.901 0 40 CHAB CCOc1cccc(CN[C@@H](C)c2ccccc2)c1 8325275 MRVPCJNRVNUKKG-AWEZNQCLSA-N 255.361 3.936 0 40 CHAB Cc1cccc(C(=O)c2cccc(CN3CCC3)c2)c1C 2515121 PHWJTLIRGOXVTE-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB Cc1ccc2[nH]c(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1 4702660 GWZIGNWOPPWTPR-STQMWFEESA-N 270.376 3.594 0 40 CHAB CC1CCN(C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 4723260 IVIGFDJXCVSDLP-WMZOPIPTSA-N 278.484 3.761 0 40 CHAB CCC[C@@H](C)Nc1ncnc2sc3c(c12)CCC3 5937715 TXNWSNDPBACUEG-SECBINFHSA-N 261.394 3.781 0 40 CHAB Cc1ccc(NC(=S)NN2[C@@H](C)CCC[C@@H]2C)cc1F 7350351 BHWNVTDNIPCQDO-RYUDHWBXSA-N 295.427 3.598 0 40 CHAB CC[C@H](C)[C@H](C(=O)Nc1nccs1)c1ccccc1 7654865 JYVAGFSJUUCFSS-AAEUAGOBSA-N 274.389 3.912 0 40 CHAB O=C1N[C@@H](c2csc3ccccc23)Nc2ccccc21 9337611 JDWFHFRHDXQNPI-HNNXBMFYSA-N 280.352 3.755 0 40 CHAB CC(=O)Nc1nc(CNc2c(C)cccc2Cl)cs1 85279181 NVEBRNVXRAVNPY-UHFFFAOYSA-N 295.795 3.675 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)CC1CCCC1 32781400 ZUBQVFMZZLNFOG-NSHDSACASA-N 263.406 3.774 0 40 CHAB CCN(C(=O)Nc1ccc(C)cc1Cl)C1CC1 43187366 SBWYQVBLPCSGPD-UHFFFAOYSA-N 252.745 3.665 0 40 CHAB CCc1ccc(CC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 224896347 PXOXQHDMTYUOKH-AWEZNQCLSA-N 297.398 3.678 0 40 CHAB O=C(NCCSc1ccccc1)Nc1cccc(F)c1 40095884 TWQCQQOHVFQXSU-UHFFFAOYSA-N 290.363 3.740 0 40 CHAB Cc1ccc(C[C@H](Sc2ccccc2)C(=O)O)cc1 225021292 PSWPUSKIWBFODW-HNNXBMFYSA-N 272.369 3.783 0 40 CHAB COC(=O)CCCC(=O)c1ccc(C)c2ccccc12 82726512 ONSXKKBFPMOFAM-UHFFFAOYSA-N 270.328 3.674 0 40 CHAB COC(=O)CCCC(=O)c1c(C)ccc2ccccc12 82726491 MKPPRUMLLVXBRR-UHFFFAOYSA-N 270.328 3.674 0 40 CHAB OCc1ccc(CNc2cccc(Oc3ccccn3)c2)o1 97235391 FYKRFUPEBYOIPM-UHFFFAOYSA-N 296.326 3.571 0 40 CHAB C[C@@H]1CCCN([C@H](CN)c2ccc(Cl)cc2Cl)C1 242687496 UJGDOGDFIJTPLX-QMTHXVAHSA-N 287.234 3.725 0 40 CHAB Fc1ccc(CNc2cnn(C3CCCC3)c2)s1 256051924 LCDJBUPHRGRVQJ-UHFFFAOYSA-N 265.357 3.811 0 40 CHAB O=C(O)C(F)(F)c1cc2cc(Cl)cc(Cl)c2o1 575444598 JWQNRDNFWJWFRV-UHFFFAOYSA-N 281.041 3.916 0 40 CHAB CCN(CC)C(=O)CCc1ccc(Cl)cc1Cl 44596412 GIHKQVXFHXXPRU-UHFFFAOYSA-N 274.191 3.794 0 40 CHAB CCc1sc(C2=N/C(=C/c3ccco3)C(=O)O2)cc1C 48532249 NVNKOGRXGBKRIY-DHZHZOJOSA-N 287.340 3.556 0 40 CHAB Oc1ccc(C2CCN(c3nc4ccccc4o3)CC2)cc1 51624997 ZFXYZLXUPAXIOX-UHFFFAOYSA-N 294.354 3.917 0 40 CHAB C[C@@H](CSC(F)(F)F)NCc1ccc(F)cc1 95918327 GVUDVYWFHBBPNX-QMMMGPOBSA-N 267.291 3.557 0 40 CHAB CSc1c(Cl)ccc(Br)c1F 115598298 UERFZTIKPUCZKF-UHFFFAOYSA-N 255.539 3.964 0 40 CHAB Nc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1 20344181 HGNIVYUEGHICEQ-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CCS[C@H](C)C[C@H]1CC(=O)c2c(CC)noc2C1 5470433 RNANQWURTQNRTD-ZJUUUORDSA-N 267.394 3.514 0 40 CHAB O=C(Nc1nccs1)c1cccc(Cl)c1Cl 5670388 FCZDVZSSVFOXBO-UHFFFAOYSA-N 273.144 3.702 0 40 CHAB Cc1ccc(NC(=O)Cn2c(C)ccc2C)cc1Cl 14153045 WZNYXFOINDZQPE-UHFFFAOYSA-N 276.767 3.705 0 40 CHAB CCCC(=O)c1c(O)c2ccccc2c2oc(=O)sc12 16382736 VJJPSHXSGDLKJD-UHFFFAOYSA-N 288.324 3.696 0 40 CHAB Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)c(C)c1 17297618 QPKZTVGEELBVCZ-UHFFFAOYSA-N 287.790 3.929 0 40 CHAB O=C(c1ccncc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206671094 SDMKQEXTKGUCDT-MRXNPFEDSA-N 298.361 3.631 0 40 CHAB O[C@@H]1CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 37489625 XCIJQGOMBGCEDC-RTBURBONSA-N 281.399 3.602 0 40 CHAB Cc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1N 50438435 NJSLQCAMQKTTHU-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB c1cc2c(s1)[C@H]1CCCC[C@H]1O[C@@]21CN2CCC1CC2 6668061 YOTNJKHOKZAJDD-YSVLISHTSA-N 289.444 3.725 0 40 CHAB CC(C)(C)CN[C@@H](CN1CCCCC1)c1ccccc1 40175457 RUWFXOINQANLGF-KRWDZBQOSA-N 274.452 3.849 0 40 CHAB Cc1cc([C@H]2CCCN2Cc2cccc3cccnc23)on1 40536470 BGVPXBMUSIYOHI-MRXNPFEDSA-N 293.370 3.868 0 40 CHAB Cc1cc(O)ccc1NC(=O)c1ccc(Cl)cc1 383624 FXTOEHXLEBBHMW-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB Cc1noc(C)c1CN1CCC[C@@H]1CCc1ccccc1 52106042 XTNPHRQYYINREA-QGZVFWFLSA-N 284.403 3.889 0 40 CHAB O=C(OCc1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 401203 MGUNSPBYVYRPIJ-KRWDZBQOSA-N 282.339 3.576 0 40 CHAB Cc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1 504613 WERGZLSOYIQHFP-OUKQBFOZSA-N 265.356 3.667 0 40 CHAB Cc1cc(Nc2ccc(OCC(C)C)cc2)ncn1 11907800 UNLXOCYGLSHIQL-UHFFFAOYSA-N 257.337 3.563 0 40 CHAB COc1ccc(CN(C(=O)C[C@H]2C=CCC2)C2CC2)cc1 32740920 NCVBGOOTHDVBFF-AWEZNQCLSA-N 285.387 3.543 0 40 CHAB COc1ccc([C@H]2CC(c3ccccc3)=NC(=S)N2)cc1 411657 OJBATUCWOKDWSY-MRXNPFEDSA-N 296.395 3.504 0 40 CHAB CCCOC(=O)c1ccc(Br)c(Cl)c1 57351523 BCUQYNJRVJSZOQ-UHFFFAOYSA-N 277.545 3.669 0 40 CHAB CC(=O)Nc1ccc(Oc2ccc3c(C)nccc3n2)cc1 1389493 XQSNEGXOBSAGHV-UHFFFAOYSA-N 293.326 3.689 0 40 CHAB Cc1occc(=O)c1Cc1c(Cl)cccc1Cl 1401970 WTTPKWXCKAROKZ-UHFFFAOYSA-N 269.127 3.846 0 40 CHAB CC1=NN(c2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 58184911 TYGCNTGHLUKIEH-UHFFFAOYSA-N 297.333 3.664 0 40 CHAB Cc1cc(-c2cnn(C(C)C)c2)nc2ccccc12 58471618 ROZTVCYPFLUSOS-UHFFFAOYSA-N 251.333 3.988 0 40 CHAB Cc1n[nH]cc1CN[C@H](c1ccc(Cl)cc1)C1CC1 38011491 FRYIDMLWNUFKKQ-HNNXBMFYSA-N 275.783 3.612 0 40 CHAB c1ccc2sc(COc3ncnc4sccc34)nc2c1 3598950 TZDYMPCEIGGUDY-UHFFFAOYSA-N 299.380 3.880 0 40 CHAB CCC[C@@H](C)NC(=O)Cc1coc2cc(C)c(C)cc12 13002033 VOACTXZAFREEGB-CYBMUJFWSA-N 273.376 3.897 0 40 CHAB CC(C)(C)CC(C)(C)NC(=O)c1scnc1Cl 48890542 NMEPABMIIOOFGR-UHFFFAOYSA-N 274.817 3.741 0 40 CHAB COc1ccc2cc(C(=O)Nc3ccc(C)cn3)ccc2c1 8747499 YNEDDOXAILQGMY-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccsc1 8705399 WONXKBXWJLPRHN-UHFFFAOYSA-N 285.290 3.697 0 40 CHAB CCc1cc(-c2n[nH]c(=S)n2CC(C)C)cs1 6519547 IASHHGDQUMMMGE-UHFFFAOYSA-N 267.423 3.888 0 40 CHAB CCCNC(=O)c1ccccc1Oc1ccccc1 4690578 VTWIVKLUSAFJEO-UHFFFAOYSA-N 255.317 3.619 0 40 CHAB CCCCn1cnc2cc(NC(=O)c3ccco3)ccc21 4735031 ICLRNOZTUPWUCA-UHFFFAOYSA-N 283.331 3.682 0 40 CHAB Cc1c(C(=O)Nc2ccncc2)sc2ccccc12 17586077 WICQOGHQQRQIPU-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB CCc1cc(C(=O)Nc2nc3ccccc3[nH]2)sc1C 6971272 XPKOZHGGCCULMZ-UHFFFAOYSA-N 285.372 3.748 0 40 CHAB Cc1cccc(NC(=S)NN2[C@@H](C)CCC[C@@H]2C)c1C 15348254 CQUJIVPFAMEABD-STQMWFEESA-N 291.464 3.768 0 40 CHAB Cc1cccc(C(=O)N2CCc3ccccc3C2)c1C 15339232 LXIHEUKWCIFERD-UHFFFAOYSA-N 265.356 3.502 0 40 CHAB O=C(NCCCCc1ccccc1)Nc1ccc(F)cc1 15934229 CCAVFBXGXNBWIK-UHFFFAOYSA-N 286.350 3.970 0 40 CHAB COc1ccc(CCC(=O)Nc2cccc3[nH]ccc23)cc1 72324739 ZASGMNLFCBIFBV-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB biogenic Nc1ccc2nc(NCc3ccccc3Cl)oc2c1 94352905 OOMAEYFDQQXDEZ-UHFFFAOYSA-N 273.723 3.676 0 40 CHAB CCc1oc(C(=O)N(C2CC2)[C@H](C)c2cccnc2)cc1C 95415112 MAWIQVNOLSSXHP-CYBMUJFWSA-N 298.386 3.911 0 40 CHAB O=C(Cc1cccc2cccnc12)OC1CCCCC1 89807959 XNPYDIUYTQVENU-UHFFFAOYSA-N 269.344 3.653 0 40 CHAB CC1=CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 89919760 UXQRRNCRIBCRKO-UHFFFAOYSA-N 284.281 3.889 0 40 CHAB Cc1c(Br)c(C=O)c(C)n1-c1ccccc1 7277476 YJCHWBKXIMQEIV-UHFFFAOYSA-N 278.149 3.669 0 40 CHAB O=C(c1ccc(F)c(Cl)c1)C(F)(F)Br 306751307 LFTVSDUESUSKJP-UHFFFAOYSA-N 287.462 3.650 0 40 CHAB CCCc1sc(=N)n(CC)c1-c1ccc(F)cc1 408576562 WZKZIWJYEAJPBV-UHFFFAOYSA-N 264.369 3.808 0 40 CHAB O=C(COc1ccccc1)NCc1cccc2ccccc12 74376525 DKEAJSARXGWHIS-UHFFFAOYSA-N 291.350 3.535 0 40 CHAB CCCn1nc(C)cc1NC(=O)c1cccc(Cl)c1 32611669 AURLODGHPHYUMW-UHFFFAOYSA-N 277.755 3.507 0 40 CHAB O=C1C=C(Nc2cccc(Cl)c2)CN1c1ccccc1 217425665 QLOVMXOCOPJQSK-UHFFFAOYSA-N 284.746 3.683 0 40 CHAB O=Cc1c(Cl)ccc(Cl)c1Br 90411248 BBAGMVOYIGEGJC-UHFFFAOYSA-N 253.910 3.568 0 40 CHAB in-vitro Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)cc1 41091215 HVOBTYNFJHAQBK-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Cc2ccc(F)cc2)cc1 43747292 MIBIQAFETKLPTE-CYBMUJFWSA-N 271.335 3.554 0 40 CHAB O=C(O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127596 CMBOLFDHAISXFK-UHFFFAOYSA-N 287.702 3.775 0 40 CHAB COC(=O)c1cc(C)c(OCc2ccccc2)c(C)c1 44199575 AYTNLJWOSHLUPV-UHFFFAOYSA-N 270.328 3.669 0 40 CHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225651641 AMHLBDGGQBXAQM-KRWDZBQOSA-N 293.407 3.926 0 40 CHAB C[C@@H](CCO)S[C@H](C)c1ncc(C(C)(C)C)o1 96447792 YIYFXCQXNVNHPZ-VHSXEESVSA-N 257.399 3.537 0 40 CHAB COc1c(C)cc([C@@H](O)c2ccc(C)s2)cc1C 95727959 MIGHWBKMIQXKLA-CQSZACIVSA-N 262.374 3.764 0 40 CHAB COC[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccco1 96478960 MUVSSQNOMIUYPW-QMTHXVAHSA-N 281.302 3.596 0 40 CHAB C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cncnc2)cc1 96444319 XIQOQKBBGPMKGN-LBPRGKRZSA-N 299.374 3.729 0 40 CHAB COCC1(NC(=O)Nc2c(Cl)ccc(C)c2C)CCC1 252484534 FYTLXXODXUUYJP-UHFFFAOYSA-N 296.798 3.647 0 40 CHAB Cc1cc([C@H](c2ccccc2)N(C)C)cc(C)c1O 255189421 PUBUITBGPJKZIK-INIZCTEOSA-N 255.361 3.660 0 40 CHAB CSCCC(=O)c1ccc(Br)c(C)c1 132075808 HVHINKLFUZAZEB-UHFFFAOYSA-N 273.195 3.693 0 40 CHAB O=C(NCc1cccs1)C1(c2cccs2)CCCC1 12157612 ZJNBWLUUXSQKRG-UHFFFAOYSA-N 291.441 3.938 0 40 CHAB CCc1cccc(CC)c1NC(=O)c1ccc(C)nc1 12870531 KSVJEYQWNSMARJ-UHFFFAOYSA-N 268.360 3.767 0 40 CHAB Cc1noc(C)c1CN1CC2(CC(c3ccccc3)C2)C1 1889104488 SMTKXHSRUXKJOT-UHFFFAOYSA-N 282.387 3.671 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccc2ccccc12 1775995763 HTZMREWGISMRFH-IYBDPMFKSA-N 292.382 3.948 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2csc3ccc(F)cc3c2=O)C1 5202676 BZFWPSWCUFPRIP-GHMZBOCLSA-N 291.391 3.883 0 40 CHAB Clc1cc(Br)ccc1-n1cccc1 1519685 JWEIEJHHJMCSRJ-UHFFFAOYSA-N 256.530 3.893 0 40 CHAB COc1ccccc1CNc1nc2ccccc2nc1C 29401536 PLBHVASAIISHEG-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB Cn1c(=O)n(Cc2ccccc2)c2cccc3cccc1c32 353564 IVGTWVNSHRPFOM-UHFFFAOYSA-N 288.350 3.542 0 40 CHAB Cc1cccn2cc(-c3ccc(NC(=O)C(C)C)cc3)nc12 79495 FDZYEAAFQSGDFO-UHFFFAOYSA-N 293.370 3.904 0 40 CHAB C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@@H](C)N1C 1577548 MTMBEFUBDMHEMV-JKSUJKDBSA-N 293.410 3.654 0 40 CHAB CCCCCCOC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 1718997 OIAFJHAHYHANJZ-KGLIPLIRSA-N 268.397 3.751 0 40 CHAB O=[P@](O)(Oc1ccc2ccccc2c1)c1ccccc1 4820547 VAVPULSJOASWBD-UHFFFAOYSA-N 284.251 3.730 0 40 CHAB O=C1CN2CC[C@H]1C/C2=C/c1ccnc2c(Cl)cccc12 4963778 HREIQFLOPSXSOD-OEMOTLHWSA-N 298.773 3.524 0 40 CHAB CCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 6046668 WCVMBYVZUYREIG-UHFFFAOYSA-N 290.366 3.960 0 40 CHAB CCCCCC(=O)Nc1ccccc1N1CCCC1 6569751 QZSZIUPNSQSLRX-UHFFFAOYSA-N 260.381 3.806 0 40 CHAB Fc1cccc([C@@H]2C=C(c3cccs3)Nc3ncnn32)c1 102567305 IRMQWKKDPZFRPR-ZDUSSCGKSA-N 298.346 3.535 0 40 CHAB CCCNC(=O)Nc1ccc(OC(C)C)c(Cl)c1 44206746 NOJBVACRKZNFHN-UHFFFAOYSA-N 270.760 3.659 0 40 CHAB CCn1c(NC(=O)CCC2CCCC2)nc2ccccc21 24878848 SVJACWKDFXGFPQ-UHFFFAOYSA-N 285.391 3.965 0 40 CHAB C[C@@H](Sc1ncnc2ccccc12)C(=O)c1ccccc1 3351119 NHDDBABKFPNVHH-GFCCVEGCSA-N 294.379 3.993 0 40 CHAB O=C(Nc1ccccc1F)c1c(F)cccc1Cl 3554084 GWKIAKLOEUSFDP-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB COc1ccc(-c2cc(-c3ccc(C)cc3)[nH]n2)c(O)c1 13126403 NFMLQXFBDLNCSP-UHFFFAOYSA-N 280.327 3.766 0 40 CHAB CCc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 5171600 KLBJTXBEKSVGOI-ZDUSSCGKSA-N 253.345 3.740 0 40 CHAB CCNc1nc(-c2ccc(F)c(F)c2)c(C)s1 6948375 AXIDWFABSVYZCP-UHFFFAOYSA-N 254.305 3.829 0 40 CHAB C[C@@H](c1ccncc1)N(C)Cc1cc(-c2ccccc2)[nH]n1 97113693 ZBERBGNKTJBWOZ-AWEZNQCLSA-N 292.386 3.665 0 40 CHAB CCOc1cccc(/C=C2\C(=O)Nc3ccccc32)c1OC 96663098 PUCHXEWMJBAPKJ-KAMYIIQDSA-N 295.338 3.587 0 40 CHAB c1ccc2c(c1)CCCN2Cc1cccc2nsnc12 84581970 KBNFAMMLBFQNJY-UHFFFAOYSA-N 281.384 3.644 0 40 CHAB COc1ccc(CC(=O)c2c[nH]c3ccccc23)cc1 36943671 FSEZPVRFPZRXPD-UHFFFAOYSA-N 265.312 3.602 0 40 CHAB Cc1c(F)cccc1NC(=S)Nc1ccccc1 71325961 ICYBWRSNVBLJOT-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB CCC(=O)c1ccc(N(C)c2ccccc2)nc1C 72224381 NVJDXQIHAAMBSW-UHFFFAOYSA-N 254.333 3.751 0 40 CHAB O=C(c1ccc(F)cc1F)c1c[nH]c2ccccc12 37361515 ODBLAHDAMKXHNJ-UHFFFAOYSA-N 257.239 3.677 0 40 CHAB CC(C)N1CCCC[C@H]1c1cccnc1N1CCCC1 72216003 RWFJJKPFLDBUNH-INIZCTEOSA-N 273.424 3.617 0 40 CHAB CCc1nc(C)sc1C(=O)Nc1ccc2cc[nH]c2c1 72402184 UPNULXCQGROSPR-UHFFFAOYSA-N 285.372 3.748 0 40 CHAB Cc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 40834713 NLXIMBPJRCEXKU-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB COC(=O)c1cc(-c2ccccc2)cc2cc[nH]c12 49582180 NJSFLYKFAHEEET-UHFFFAOYSA-N 251.285 3.622 0 40 CHAB COC(=O)c1cccc(NC(=O)c2ccc(C)cc2C)c1C 44625054 JRYKJJCNOCTLHQ-UHFFFAOYSA-N 297.354 3.651 0 40 CHAB COC(=O)c1c[nH]cc1-c1ccc(Cl)cc1Cl 199559717 YHRSXVSCVISFGU-UHFFFAOYSA-N 270.115 3.775 0 40 CHAB CCCCCn1c(S)nc2cc(Cl)ccc2c1=O 96274172 BUCJWRUYMPCNNO-UHFFFAOYSA-N 282.796 3.529 0 40 CHAB Cc1ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c1 147821477 RZOFAFVKSIFPME-UHFFFAOYSA-N 290.285 3.694 0 40 CHAB Cc1c(Br)ccc(C(F)(F)F)c1F 145334114 LFEACVJXISOTIG-UHFFFAOYSA-N 257.024 3.915 0 40 CHAB COc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1 90411505 HMIYRXLVNWCPIN-UHFFFAOYSA-N 269.222 3.656 0 40 CHAB COc1ccc(Cl)c(C(=O)C(Cl)(Cl)Cl)c1 382360897 OONIOZHBQCIDKN-UHFFFAOYSA-N 287.957 3.902 0 40 CHAB O=C(c1ccc(F)cc1)c1cc(F)cc(Cl)c1 95916190 PKUKUUYQXJACDV-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1 3607523 WQDQVPJNEWENQF-LLVKDONJSA-N 275.735 3.746 0 40 CHAB CCc1ccc2[nH]c(=O)c(CNc3ccccc3)cc2c1 13561341 HSCQMKLMPSUSEB-UHFFFAOYSA-N 278.355 3.703 0 40 CHAB Cc1cc(N)nn1-c1c(Cl)cc(Cl)cc1Cl 16284053 XBWGLQRNAFSBGV-UHFFFAOYSA-N 276.554 3.723 0 40 CHAB CC(C)c1ccccc1NC(=O)c1cc(N)ccc1N(C)C 226323989 ZTCDOQKBECHFID-UHFFFAOYSA-N 297.402 3.711 0 40 CHAB C[C@H](Sc1ncn[nH]1)c1ccc(C(F)(F)F)cc1 34018224 ISFAKAKGBZPKIC-ZETCQYMHSA-N 273.283 3.677 0 40 CHAB CC(C)c1ccccc1O[C@H](C)C(=O)NC1CCCC1 20490183 GUWFSNJWFUTBEV-CYBMUJFWSA-N 275.392 3.636 0 40 CHAB O=C1Nc2ccccc2S/C1=C/c1ccccc1 71382 DOQUSBFMNDTPGT-GXDHUFHOSA-N 253.326 3.772 0 40 CHAB CC(C)OC(=O)Oc1cccc(OC(=O)OC(C)C)c1 1600158 CQDUXYAUYQXTAO-UHFFFAOYSA-N 282.292 3.534 0 40 CHAB CC(C)(C)c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 6831451 ZKKFHBDYTOSSFW-INIZCTEOSA-N 280.371 3.838 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)NC1CCCC1 40099252 DLOFYMGPXYLFHL-UHFFFAOYSA-N 252.745 3.713 0 40 CHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1 28326 ARZZKUPWTNDIOS-UELRPHRMSA-N 281.355 3.586 0 40 CHAB biogenic c1ccc(CNCc2nc3ccccc3s2)cc1 20136295 XUFUJPJGSXYRBI-UHFFFAOYSA-N 254.358 3.586 0 40 CHAB O=C1N[C@@H](c2ccc(Cl)cc2Cl)Oc2ccccc21 324238 GBUZCVHBZZUJAZ-CQSZACIVSA-N 294.137 3.814 0 40 CHAB O=C(COc1ccc(Cl)cc1)NCCC1=CCCCC1 362504 YQLUOPVYFRFEOH-UHFFFAOYSA-N 293.794 3.726 0 40 CHAB C[C@H]1CN=C(Nc2ccccc2C(F)(F)F)S1 86379 OFEJRSOFLKICOC-ZETCQYMHSA-N 260.284 3.609 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2ccc(F)c(F)c2F)c1 2616881 JIJYZESACNYSGV-UHFFFAOYSA-N 279.261 3.973 0 40 CHAB O=C(NCc1ccccc1)N(Cc1cccs1)C1CC1 32779587 VTNBOCGUAHKZDT-UHFFFAOYSA-N 286.400 3.622 0 40 CHAB CCCCNC(=O)N[C@@H](C)c1cccc(Br)c1 32795110 KZOGACVOLIPRSV-JTQLQIEISA-N 299.212 3.609 0 40 CHAB CC[C@H](NC(=O)c1ccc(C)n1C)c1ccc(Cl)cc1 21557872 GYNXZJFQEWXWEW-AWEZNQCLSA-N 290.794 3.868 0 40 CHAB CC(=O)Nc1cccc(C(=O)OCc2cc(C)ccc2C)c1 3545515 NFQBXIQPNQUOIC-UHFFFAOYSA-N 297.354 3.619 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccccc1F 6416618 XDWHRGRCPUGLTA-QWRGUYRKSA-N 250.317 3.621 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=S)Nc2ccccc2F)C1 6469205 GAVSWDDGJAXVSY-QWRGUYRKSA-N 266.385 3.500 0 40 CHAB O=C(NCCCc1ccccc1)Nc1ccccc1F 6529436 WCHWUQTZZDMGAV-UHFFFAOYSA-N 272.323 3.580 0 40 CHAB C[C@@H]1CC[C@@H](C)N1c1ccc(N2CCCCC2)c(N)c1 8701417 ZPGCBYCQHPDAGN-ZIAGYGMSSA-N 273.424 3.636 0 40 CHAB O=C(O)c1cn(C(=O)c2ccccc2Cl)c2ccccc12 107280422 IHZYXIWNFCFKNT-UHFFFAOYSA-N 299.713 3.681 0 40 CHAB O=C(OCc1ccc(Cl)nc1)c1ccc(Cl)cc1 1401385 VOLDCCXXPGTJTE-UHFFFAOYSA-N 282.126 3.745 0 40 CHAB NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 1722575 ONJSZQIFAUIZNC-UHFFFAOYSA-N 282.730 3.654 0 40 CHAB Cc1ccc2oc(-c3ccccc3)c/c(=N\CCCO)c2c1 1916596 ZSIICJOUWYFWOS-LVZFUZTISA-N 293.366 3.691 0 40 CHAB CCc1ccc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 28875095 IFTGPQGROJABMB-CABCVRRESA-N 296.414 3.927 0 40 CHAB CCC(C)(C)NC(=S)Nc1cc(C)ccc1C 3306982 MTOILEBKVFNEHA-UHFFFAOYSA-N 250.411 3.778 0 40 CHAB CC(C)(C)c1cnc(CN2CCCc3ccccc32)o1 58745506 JEMAEFYXBLKNCQ-UHFFFAOYSA-N 270.376 3.925 0 40 CHAB O=C(NC1CCCC1)C1(c2ccccc2)CCCC1 2512739 LVZVHAISFOZZBK-UHFFFAOYSA-N 257.377 3.557 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)cn1 12871531 MZCAUJDCSGIYEF-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB NC(=O)Nc1ccc(/C=C/c2ccnc3ccccc23)cc1 12941689 UKYWSEGWWZMQDV-VMPITWQZSA-N 289.338 3.896 0 40 CHAB CCc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 8706356 UPWTVKFXKSQNEO-UHFFFAOYSA-N 299.186 3.722 0 40 CHAB Cc1ccnc(NC(=S)Nc2ccc(C)c(C)c2)c1 5225281 XVUBJKVRSGCVKE-UHFFFAOYSA-N 271.389 3.816 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1cccc(F)c1 5467789 YMVYEORBOFCHRC-LBPRGKRZSA-N 251.345 3.772 0 40 CHAB O=C(Cc1ccsc1)Nc1cccc(Cl)c1 6549594 MMNVBVVLTXNGPI-UHFFFAOYSA-N 251.738 3.583 0 40 CHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1CCCC1 5528157 OOPCWYONVDIKJS-LLVKDONJSA-N 261.340 3.684 0 40 CHAB Nc1cc(Br)ccc1OCCc1ccccc1 14630916 DPPFSEGQZOGWNH-UHFFFAOYSA-N 292.176 3.653 0 40 CHAB CN(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1 15108363 INZAROOSMJAFEE-UHFFFAOYSA-N 294.398 3.736 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cn3ccc(C)cc3n2)c1 7286553 CDRUUTBIFQGLAG-UHFFFAOYSA-N 279.343 3.512 0 40 CHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C1CCC1 7779368 KVESVQGANISLPO-OAHLLOKOSA-N 289.375 3.893 0 40 CHAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccco1 8244086 GBVCTOQEPOEQEU-CMDGGOBGSA-N 298.367 3.561 0 40 CHAB CCCc1noc(CN[C@H](C)c2ccc(Cl)cc2)n1 69413926 PWADUYHLRFFJAU-SNVBAGLBSA-N 279.771 3.526 0 40 CHAB CCOc1cccc(NC(=O)Cc2ccc(C)c(C)c2)c1 218805878 SFHCMCWPYUAVOU-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1cc(Oc2ncnc3ccsc23)ccc1F 531750633 YXSBRBRTRRTBAK-UHFFFAOYSA-N 260.293 3.931 0 40 CHAB Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)s1 34868562 HZTMJYUGQMQDBE-USWWRNFRSA-N 251.395 3.611 0 40 CHAB FC(F)(F)c1ccc(COc2ccccn2)cc1 36719673 WDCPBRUOSNUXPL-UHFFFAOYSA-N 253.223 3.679 0 40 CHAB COC(=O)c1c[nH]cc1-c1cccc(Cl)c1Cl 34464145 BCUKVCIBZQODNS-UHFFFAOYSA-N 270.115 3.775 0 40 CHAB Cc1cc(C)c(NC(=O)c2cccc(Cl)c2)c(N)c1 70462821 JTSXLSCXCIGXSH-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Cc1c(F)cccc1NS(=O)(=O)/C=C/c1ccccc1 75082582 NPKDUHRJYJTBAV-ZHACJKMWSA-N 291.347 3.547 0 40 CHAB CCN1CCC[C@@H]1c1cccnc1OCc1ccccc1 72212070 FIQUTTFKMAYIAA-QGZVFWFLSA-N 282.387 3.817 0 40 CHAB COC(=O)c1ccccc1-c1nc2ccc(F)cc2s1 45923245 IUPVLUXCSVMDLF-UHFFFAOYSA-N 287.315 3.889 0 40 CHAB C[C@@H](NC(=O)C1CCCCC1)c1ccc2c(c1)CCC2 223210613 WWTIWBHFNGMBJO-CYBMUJFWSA-N 271.404 3.933 0 40 CHAB O=c1c(Br)c[nH]c2cc(Cl)cc(Cl)c12 41702148 RVGLBVQLTUETRI-UHFFFAOYSA-N 292.947 3.597 0 40 CHAB CC[C@H](C(=O)O)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223198288 WGWYALTUJZERBD-SMDDNHRTSA-N 291.391 3.651 0 40 CHAB COc1cnc(-c2cc(Cl)ccc2F)nc1Cl 40566667 HXONUCHQEHIUHR-UHFFFAOYSA-N 273.094 3.598 0 40 CHAB S=C(Nc1ncc(Cl)cc1Cl)NC1CCCC1 224032708 QSPAFDHJPUMYQD-UHFFFAOYSA-N 290.219 3.617 0 40 CHAB CC[C@H](C)Oc1ccccc1[C@H](C)NC[C@@H]1CCCO1 225162661 AEGZFYICSOOIQG-KKUMJFAQSA-N 277.408 3.694 0 40 CHAB CC(=O)Oc1ccc(C(=O)c2ccc(OC(C)C)cc2)cc1 43209947 XCQLCPYHKYSZKL-UHFFFAOYSA-N 298.338 3.630 0 40 CHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 95634168 VRMSGOQZYFIZEH-UWVGGRQHSA-N 299.153 3.843 0 40 CHAB CC(C)c1cc(N2C[C@@H](C)O[C@H](C)C2)nc2c(N)cccc12 685938448 SKPMFMOPWNQITI-CHWSQXEVSA-N 299.418 3.554 0 40 CHAB O=C(O)c1cc2c(F)cc(Br)cc2s1 90548829 HSXSZPFLIMMXHK-UHFFFAOYSA-N 275.098 3.501 0 40 CHAB O=C(Nc1ccc(F)c(F)c1F)NC1CCCCC1 19074909 KSZYHETXSCWRPW-UHFFFAOYSA-N 272.270 3.558 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 5701286 MDKIGABHCHQHFZ-CQSZACIVSA-N 299.370 3.718 0 40 CHAB C[C@@H](NC(=S)Nc1cccc(F)c1)c1ccccc1 13786779 ZTASRMDJBKDNCA-LLVKDONJSA-N 274.364 3.873 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(C)c1 4317880 GZHPGGSHLXIGCX-HNNXBMFYSA-N 284.384 3.754 0 40 CHAB Cc1cc(Sc2nnc(-c3ccccc3C)o2)nc(C)n1 40051207 ATZOGPXLXDMVCR-UHFFFAOYSA-N 298.371 3.603 0 40 CHAB COc1ccc(CNC(=O)Nc2ccc3c(c2)CCC3)cc1 20248731 QRPZPGOXVIVKCN-UHFFFAOYSA-N 296.370 3.506 0 40 CHAB Cc1nc2cc(N[C@H](C)c3nc(C(C)C)no3)ccc2o1 40511392 UZEOINOBFAXDQJ-SECBINFHSA-N 286.335 3.816 0 40 CHAB CC(C)[C@@H](CCNCCN(C)C)c1ccc(Cl)cc1 20588559 GSIMJBKUNUUXIX-MRXNPFEDSA-N 282.859 3.621 0 40 CHAB Fc1ccc(-n2c(=S)[nH]c3ccccc32)c(F)c1 20586009 RYCJLMYZPFHNKT-UHFFFAOYSA-N 262.284 3.966 0 40 CHAB in-vitro Clc1cccnc1-c1cccc(-c2cc[nH]n2)c1 20996157 AMJIPUKJQSISDM-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB Cc1sc(-c2ccco2)nc1C(=O)N1CCCC[C@H]1C 32772277 IZVXMAYCVWZSBV-SNVBAGLBSA-N 290.388 3.726 0 40 CHAB CCC[C@H]1[C@H](CC)C=C(CC)[C@H](O)[C@@]1(CC)CO 1577878 YFEVEUYLZHKMAO-OEAJRASXSA-N 254.414 3.529 0 40 CHAB O=C(O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 21509888 FJBJORSODLVTLR-UHFFFAOYSA-N 283.114 3.830 0 40 CHAB Cn1ccnc1SCn1c(=S)sc2ccccc21 2388811 ARQRDORUFHQSBP-UHFFFAOYSA-N 293.442 3.916 0 40 CHAB CN(Cc1noc(C2CC2)n1)c1ccc(C(C)(C)C)cc1 53641941 RSFPEUUSHHEQAD-UHFFFAOYSA-N 285.391 3.881 0 40 CHAB C[C@@]12CC3CC(C(=O)N4CCCCC4)(C1)C[C@@](C)(C3)C2 100858033 CQJQZZVKELIUGA-YCHGYYGWSA-N 275.436 3.996 0 40 CHAB FC(F)(F)c1ccc(Cl)c(-c2ccncc2)n1 47212655 VPSUDTYBOOPSSL-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB CCOc1ccc2nc(SC[C@H]3CCCCO3)[nH]c2c1 23039065 ZYWZXPZKQXAFAG-GFCCVEGCSA-N 292.404 3.623 0 40 CHAB FC1(F)S[C@@H]2[C@H]3C[C@H]([C@H]2C1(F)F)[C@H]1CCC=C31 104147843 SBJPRTIBDXTBFQ-KGUPMPJBSA-N 264.287 3.932 0 40 CHAB C[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccncc1 35122251 AWEIPBVQJIKKMZ-VIFPVBQESA-N 267.254 3.669 0 40 CHAB CCCCC[C@H](C)NC(=O)Nc1ccccc1F 57580916 SQOFJUPQOSJYTO-NSHDSACASA-N 252.333 3.916 0 40 CHAB O=C(Nc1ccccc1F)[C@H]1CCCc2ccccc21 57561369 QHRXFZRMZKQSTB-AWEZNQCLSA-N 269.319 3.884 0 40 CHAB CCCC[C@@H](CCC(=O)Nc1ccc(C)cc1)C(=O)O 26807710 YXDXZFJFUPGYAW-ZDUSSCGKSA-N 277.364 3.605 0 40 CHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1 11211847 TYNJZBFIALGISD-INIZCTEOSA-N 287.309 3.846 0 40 CHAB CCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 3434539 GGFGTTCVGNTUSN-UHFFFAOYSA-N 274.295 3.868 0 40 CHAB CCOc1ccccc1NC(=O)/C=C/c1cccc(OC)c1 3472785 JYZUDSSTKMVMQB-VAWYXSNFSA-N 297.354 3.746 0 40 CHAB C[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2s1 12930983 CECDIHBXBOGTFG-GFCCVEGCSA-N 288.416 3.630 0 40 CHAB CC1CCC(NC(=O)c2ccc(Cl)s2)CC1 13001045 INRDFFKQHWWRSN-UHFFFAOYSA-N 257.786 3.710 0 40 CHAB Cc1ccc2cccc(OCC(=O)Nc3ccccc3)c2n1 5198630 ZQXBXOVXORPFMI-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(N)c1 19735978 WNSHCXMPEZYEMF-CYBMUJFWSA-N 298.386 3.800 0 40 CHAB Fc1ccc(Oc2cnc3ccccc3n2)c(F)c1 41872796 RYFYFWSBGWUNDJ-UHFFFAOYSA-N 258.227 3.700 0 40 CHAB c1ccc(Nc2nc(-c3ccccc3)ns2)cc1 6962136 RMFQIIXCTLNZRC-UHFFFAOYSA-N 253.330 3.949 0 40 CHAB CCCS[C@H]1C(C)=C(C)C(=O)N1CCC(C)C 8983860 LXGGIMFCLYEJFO-AWEZNQCLSA-N 255.427 3.680 0 40 CHAB CCCC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20136534 OSJFBKQTNQFFGB-UHFFFAOYSA-N 293.750 3.831 0 40 CHAB CCn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O 67246010 NUVFDRPRXITYDY-UHFFFAOYSA-N 290.775 3.798 0 40 CHAB CC(C)CC(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C 89802182 RNGVSXNMRLNQTJ-HOCLYGCPSA-N 259.393 3.589 0 40 CHAB C[C@@H]1c2cc(Cl)ccc2O[C@@H]2c3ccccc3C(=O)N12 35324752 BTRYEPPEYIAAAB-JDNHERCYSA-N 285.730 3.948 0 40 CHAB C[n+]1c(/C=C\c2ccccc2)sc2ccccc21 31962121 KJCPOALBXTXZKU-QXMHVHEDSA-N 252.362 3.896 0 40 CHAB CC(C)(C)NC(=O)N1CCS[C@@H](c2cccs2)CC1 219528752 LGIVRQGASXFJLT-GFCCVEGCSA-N 298.477 3.736 0 40 CHAB COc1ccc(-c2nc3cc(Cl)cnc3o2)cc1 74328596 VKBVYPGVGGCHCT-UHFFFAOYSA-N 260.680 3.552 0 40 CHAB COc1ccccc1CCC(=O)Nc1cccc2[nH]ccc12 72324853 YFQHYNODQKPQEL-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB biogenic CCOc1ccc(Cl)cc1CNC(=O)OC(C)(C)C 72209108 DLNZSKLEHIPXLY-UHFFFAOYSA-N 285.771 3.763 0 40 CHAB Cc1ccc([C@H](C)NC(=S)Nc2ncccc2C)cc1 225470710 VKCLCXDJTWOFLE-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB CC[C@@H](C)Oc1ccc([C@H](C)NCCCOC)cc1 225170107 WOOPXKSILOWVOP-KGLIPLIRSA-N 265.397 3.551 0 40 CHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccco3)N21 222651198 CWHZFDJQDFZJAF-BYCMXARLSA-N 299.399 3.654 0 40 CHAB COC(=O)[C@@H](C)N1c2c(C)cccc2C(C)=CC1(C)C 223192443 LQSJRURLQCGDBR-CYBMUJFWSA-N 273.376 3.558 0 40 CHAB CC[C@@H](C)n1c([C@H](C)N)nc2cc(Cl)ccc21 40408274 UTULRFIGBDTCCG-BDAKNGLRSA-N 251.761 3.680 0 40 CHAB CCC[n+]1cccc(-c2nc3cc(C)cc(C)c3o2)c1 226774639 KKHMGTBFGKLKLI-UHFFFAOYSA-N 267.352 3.809 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](O)c1ccccc1 143589577 XEOQHVVLXIUVHB-MXASKKJJSA-N 290.403 3.724 0 40 CHAB Cc1cccnc1NC(=S)NCCC1=CCCCC1 140261998 LZHFTDSUJIZATA-UHFFFAOYSA-N 275.421 3.567 0 40 CHAB Cc1cc(C)cc(CSCC(=O)N2CCC(C)CC2)c1 98068607 RBAMVEMBNWTAPB-UHFFFAOYSA-N 291.460 3.795 0 40 CHAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC)OCC[C@@]31C2 257201576 AIEWJWILDFXBDP-LTKULKHWSA-N 293.451 3.523 0 40 CHAB O=C(Nc1ccnn1C1CCCCC1)NC1CCCCC1 43466505 UUBMQGNHKWHOGQ-UHFFFAOYSA-N 290.411 3.843 0 40 CHAB COc1ccccc1C(=O)c1cc(C)c(C)cc1C 86493970 LUPAUPHXCHEAFY-UHFFFAOYSA-N 254.329 3.851 0 40 CHAB Cc1ccc(CN(C)C(=O)C2(C)CCC(F)(F)CC2)nc1 626633309 TUYXSYIFFOQUMW-UHFFFAOYSA-N 296.361 3.564 0 40 CHAB Cc1cc(Cl)ccc1C(=O)CC(C)(C)CC(=O)O 95634113 IMYAIRSNIWROEY-UHFFFAOYSA-N 268.740 3.722 0 40 CHAB CC(C)[C@H]1CCCCN1c1ccc2cccc(N)c2n1 685937966 DPMXSKTUNQDCMU-OAHLLOKOSA-N 269.392 3.832 0 40 CHAB Cc1cc(C)nc(SCC(=O)c2ccc(C)c(C)c2)n1 281245 GIHLBMVFDTXTDH-UHFFFAOYSA-N 286.400 3.685 0 40 CHAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccs1 55362 FQNBYCBCFDMMKA-XYOKQWHBSA-N 289.743 3.746 0 40 CHAB CC(C)(c1nc(Cl)cc(Cl)n1)C(F)(F)F 606303101 DVXUXONXFIVILB-UHFFFAOYSA-N 259.058 3.623 0 40 CHAB C[C@H]1C(c2ccccc2)=CCON1c1ccccc1 5811269 LWIIQRRUWYVXDV-AWEZNQCLSA-N 251.329 3.910 0 40 CHAB CC1CCN(C(=O)[C@@H](C)Oc2cccc3ccccc23)CC1 13708972 WCAUTVBGISPIOG-OAHLLOKOSA-N 297.398 3.866 0 40 CHAB CCc1cccc(NC(=S)NC2CCCCC2)c1 13789185 DAEHALTXNYNOKO-UHFFFAOYSA-N 262.422 3.868 0 40 CHAB C[C@@H](NC(=O)c1ccccn1)c1cccc(C(F)(F)F)c1 15694826 PDCYHTFAUWDLRN-SNVBAGLBSA-N 294.276 3.591 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2C(F)(F)F)C1 8701209 XXYMIDZJXONUQK-NXEZZACHSA-N 272.314 3.770 0 40 CHAB Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1F 1776008688 MIPVFPJCNILLFE-HOTGVXAUSA-N 285.362 3.992 0 40 CHAB O=C(NCc1cncc(-c2ccco2)c1)Nc1cccs1 575617465 CCGXCESBKKIABD-UHFFFAOYSA-N 299.355 3.725 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1Cl 3195553 ARBMKLCIWLVNOQ-QWRGUYRKSA-N 251.757 3.743 0 40 CHAB Cc1ccc(CNC(=O)Nc2cccc3ncccc23)cc1 40103573 KDVPLHYPUGVMEF-UHFFFAOYSA-N 291.354 3.865 0 40 CHAB O=C(NCCCCCOC1CCCCC1)C1[C@@H]2CCC[C@@H]12 101465943 CVJCDZVSYRHUJG-HZPDHXFCSA-N 293.451 3.668 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1F 382695 ZRLXKXOUEUAUIF-JTQLQIEISA-N 293.725 3.885 0 40 CHAB Cc1cc(C)c(C(=O)COc2ccccc2O)cc1C 43980 ZLOHALZUBUMOCX-UHFFFAOYSA-N 270.328 3.579 0 40 CHAB CC1(C)CCCN(C(=O)c2ccc3ccccc3c2O)C1 70261417 FMPMKFONOZXCDJ-UHFFFAOYSA-N 283.371 3.808 0 40 CHAB COC(=O)c1ccc(CN(C)[C@@H]2CCc3ccccc32)cc1 29811083 HDZHSFJQXXIVIO-GOSISDBHSA-N 295.382 3.593 0 40 CHAB c1ccc2oc([C@H]3CCCN(Cc4cscn4)C3)nc2c1 29832402 AWHAMZWCBLJQTE-LBPRGKRZSA-N 299.399 3.664 0 40 CHAB CC(C)C[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 1006433 MGOIQDHTVPXWRX-CYBMUJFWSA-N 291.416 3.553 0 40 CHAB Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102184083 FUZHVAMTBFCXTN-DZJNRPSUSA-N 281.399 3.871 0 40 CHAB Oc1ccc2c(c1)Cc1cc(Br)ccc1-2 1638392 PWXRJWFFXLPGQR-UHFFFAOYSA-N 261.118 3.726 0 40 CHAB CCN(CN(CC)c1ccccc1)c1ccccc1 1700091 KONWVMMCOJSEKH-UHFFFAOYSA-N 254.377 3.997 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(NC(C)=O)c(C)c2)cc1 32753747 ASKKOEIIPJWKDN-UHFFFAOYSA-N 296.370 3.768 0 40 CHAB COc1ccccc1/C=C/C(=O)Nc1cc(F)ccc1C 3566406 DEEUZHWVDUEDAL-CSKARUKUSA-N 285.318 3.795 0 40 CHAB C[n+]1cccc([C@@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@@H]32)c1 4025878 RSUINDYISXUKNH-VJANTYMQSA-N 284.423 3.868 0 40 CHAB CCCCOC(=O)c1cc(/C=C\c2ccccc2)on1 4744005 VWRBPMCTLYVWTO-KTKRTIGZSA-N 271.316 3.802 0 40 CHAB O=C(O)C12C[C@H]3C[C@@H](CC(Cc4ccccc4)(C3)C1)C2 102629862 TUNYDRKCLAOGEZ-QEFXCSQDSA-N 270.372 3.900 0 40 CHAB CCCCOC(=O)CSc1nc2cc(C)c(C)cc2[nH]1 6016337 LQTHNGZIHVMXJT-UHFFFAOYSA-N 292.404 3.615 0 40 CHAB O=C1CS[C@@H](c2cccs2)N1c1ccc(F)cc1F 424062 IUPQPYNSYSCYBU-ZDUSSCGKSA-N 297.351 3.805 0 40 CHAB CC(C)NC(=O)/C=C/c1c(Cl)cccc1Cl 2729607 SFJNDSIHIWKGSC-VOTSOKGWSA-N 258.148 3.531 0 40 CHAB Cc1cc(C)nc(N[C@@H](C)c2ccccc2Cl)n1 42238100 DTDPRDYQMKLZOV-NSHDSACASA-N 261.756 3.920 0 40 CHAB O=C1c2ccccc2-c2ccc(C(=O)N3CCCCC3)cc21 813361 GUWLCCIHKBSDCJ-UHFFFAOYSA-N 291.350 3.524 0 40 CHAB Cc1nc(Cl)cc(N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 106866594 DMUAXOHXOBUXAQ-VGDYDELISA-N 265.788 3.675 0 40 CHAB O=C(Nc1ccccn1)c1cc(Cl)ccc1Cl 1505781 OOQDVUTYUYQZHJ-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB C[C@]1(C(=O)Nc2ccc(Cl)cc2)C[C@H]2C=C[C@H]1C2 103588726 ONYINCTZMGRKTF-PGUXBMHVSA-N 261.752 3.881 0 40 CHAB CCCSCC(=O)Nc1cccc2ccccc12 1910763 CPLZPALVVGXBKL-UHFFFAOYSA-N 259.374 3.922 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)OC)cc1 2086252 POTRTBFIWGRGNI-GFCCVEGCSA-N 277.364 3.628 0 40 CHAB Fc1ccccc1NCc1nc(-c2cccs2)no1 58003683 XWXRAMGKKHDHJO-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB O=[S@@](Cc1ccc(Cl)cc1)Cc1cccc(F)c1 58131018 XATNYWZVMUGYAH-GOSISDBHSA-N 282.767 3.928 0 40 CHAB COc1ccc([C@H](CC(=O)O)c2ccccc2)cc1Cl 36177800 ZTHNROQWCPZUIT-CYBMUJFWSA-N 290.746 3.955 0 40 CHAB COc1ccccc1C(=O)c1c[nH]c2ccc(F)cc12 111683200 BEAQFRHWFLMLED-UHFFFAOYSA-N 269.275 3.547 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H](C)C(C)C 59036817 CQJZXRMIMKNRJK-GXTWGEPZSA-N 292.423 3.945 0 40 CHAB Cc1csc(NC(=O)c2cc(F)c(F)cc2Cl)n1 3562057 VWZBNPWUXHLTOV-UHFFFAOYSA-N 288.706 3.635 0 40 CHAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCCC1 12949004 SBUYBPRCOPHRIR-UHFFFAOYSA-N 282.387 3.673 0 40 CHAB O=C(CCc1ccccc1O)Nc1ccc(F)c(Cl)c1 8746213 PCGQXDKUIGYWEG-UHFFFAOYSA-N 293.725 3.756 0 40 CHAB Brc1ccsc1CNCc1ccsc1 63152679 MSAQTAWMHPCPEP-UHFFFAOYSA-N 288.235 3.862 0 40 CHAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCc1ccco1 6507688 CRHSNYHRUBVPMH-VMPITWQZSA-N 295.260 3.628 0 40 CHAB COc1cccc(-c2nnc(S)n2-c2ccc(C)cc2)c1 6507570 GKEGWTVRDUYCFO-UHFFFAOYSA-N 297.383 3.540 0 40 CHAB Fc1cnc(Cl)nc1NC1C2CC3CC(C2)CC1C3 4744740 NDFVNSKTIXBVJE-UHFFFAOYSA-N 281.762 3.506 0 40 CHAB CCCNCc1cc(Cl)c(OCC)c(OCC)c1 7262318 UWWYUAJHUUFDRN-UHFFFAOYSA-N 271.788 3.637 0 40 CHAB C[C@H](NC(=O)c1ccccc1Br)c1ccco1 7741271 VSJQMRSQKHLMRT-VIFPVBQESA-N 294.148 3.533 0 40 CHAB c1ccc2c3c([nH]c2c1)[C@H](C1CCCCC1)NCC3 19688797 OUXYMBSSCUANTF-INIZCTEOSA-N 254.377 3.935 0 40 CHAB Cc1ccc(NC(=O)CCC2CCCCC2)c(C(=O)O)c1 8186460 KMASBMPTZXYEKP-UHFFFAOYSA-N 289.375 3.992 0 40 CHAB CCOCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 9481824 WPRNVRSCIDIXFF-UHFFFAOYSA-N 291.178 3.542 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1nc2cc(C(C)(C)C)ccc2o1 72311650 NAWDUQHIPUANJR-GXSJLCMTSA-N 272.348 3.720 0 40 CHAB OCc1ccc(CNc2cc(-c3ccco3)ccc2F)o1 95448808 RVUIADHVGMFZTG-UHFFFAOYSA-N 287.290 3.783 0 40 CHAB C[S@](=O)c1cccc(NCc2cccc3cccnc23)c1 95428778 IOFCUFZWAMOLHQ-OAQYLSRUSA-N 296.395 3.584 0 40 CHAB CCn1c([C@@H](C)NC(=O)/C=C(\C)C2CC2)nc2ccccc21 98055489 UPGPOAJLPIJCGA-XZHRJIJLSA-N 297.402 3.590 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1ccc(OC(F)(F)F)cc1 39978429 XBPQJWVJJWFMHI-JTQLQIEISA-N 285.265 3.880 0 40 CHAB O=C(Cc1cccs1)c1cc(F)c(F)cc1F 310200489 BURZTDZQYIZSSS-UHFFFAOYSA-N 256.248 3.591 0 40 CHAB CCc1cc(N)ccc1NC(=O)c1ccccc1Cl 216797878 TXULLOYAZCHBCL-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB Cc1ccc(N[C@H]2OC(=O)c3c2c2ccccc2n3C)cc1 49543258 KKJARUYNVAIKLJ-KRWDZBQOSA-N 292.338 3.768 0 40 CHAB biogenic O=C(c1ccc(F)c(F)c1)c1cc(F)c(F)c(F)c1 43210252 IEBDIDHXDAZTNS-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB CC/C(I)=C\c1ccccc1 98175123 IEDOMLBGLKWUTN-CSKARUKUSA-N 258.102 3.873 0 40 CHAB COC(=O)Nc1ccc(Nc2nc3ccccc3o2)cc1 52428399 IRDIVYXFDIWYIE-UHFFFAOYSA-N 283.287 3.750 0 40 CHAB CCCC[C@@H](Nc1nn2cc(C)nc2s1)C1CCC1 79093288 RJMTUJTVKQHHSS-GFCCVEGCSA-N 278.425 3.870 0 40 CHAB CN[C@H](C)CN1c2ccccc2Sc2ccccc21 83388 IJOZCCILCJIHOA-GFCCVEGCSA-N 270.401 3.897 0 40 CHAB in-vitro O[C@H](c1ccc(F)cc1)c1ccc(F)c(Cl)c1 4242378 XXHWEAJOWLZYCT-CYBMUJFWSA-N 254.663 3.700 0 40 CHAB COC(=O)c1c(Cl)cc(SC)cc1Cl 238324334 WWRKKZMJGOYRCL-UHFFFAOYSA-N 251.134 3.502 0 40 CHAB C=Cn1ccc2c1C[C@@H]1CC[C@H]2N1Cc1ccccc1 13568932 FAIWHDAYVNRBGS-DOTOQJQBSA-N 264.372 3.850 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=S)Nc1ccccc1F 13826654 VTOXJQCZXDNVFW-PHIMTYICSA-N 266.385 3.785 0 40 CHAB Cc1ccc(C(=O)CCC(=O)Nc2ccccc2C)cc1 15352424 AJRGZEVFDLQIMO-UHFFFAOYSA-N 281.355 3.905 0 40 CHAB O=C(NCCC1=CCCCC1)c1cccc2cccnc12 17335081 YZGNADIGBWVMTK-UHFFFAOYSA-N 280.371 3.855 0 40 CHAB O=C(O)c1cccc(NCc2nc3ccccc3s2)c1 28294197 UDKAAUSLKJRZHE-UHFFFAOYSA-N 284.340 3.607 0 40 CHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)Cc1ccsc1 244998709 KQMUEMFRJMKKGR-GFCCVEGCSA-N 299.395 3.784 0 40 CHAB O=C(CSC1CCCCC1)N1CCc2ccccc21 4263042 AYFJCTZNHGTLIE-UHFFFAOYSA-N 275.417 3.642 0 40 CHAB O=C(Cc1ccccc1)Nc1nc2c(F)cccc2s1 4331612 SSTRLCOJHYEQOV-UHFFFAOYSA-N 286.331 3.617 0 40 CHAB O=C(NCc1cc(-c2ccoc2)cs1)[C@H]1CC=CCC1 1775970004 WYJHCGIDKIIRNN-LBPRGKRZSA-N 287.384 3.981 0 40 CHAB O=C(NCc1ccc(F)cc1)N1CC[C@@H](c2ccccc2)C1 38567339 SRCNFFLFOLBRMG-MRXNPFEDSA-N 298.361 3.525 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(CC(C)C)cc1 575357602 SVVWQYUKHXHXMO-UHFFFAOYSA-N 276.376 3.801 0 40 CHAB CC(C)OCc1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 40122264 DBAFOUDABOAKSC-OAHLLOKOSA-N 287.403 3.584 0 40 CHAB CC(C)(C)OC(=O)N1CCC(Sc2cccnc2)CC1 40442680 QHRHMCNNNWNGFR-UHFFFAOYSA-N 294.420 3.573 0 40 CHAB CC[C@@H]1C[C@H](CNC(=O)Nc2ccc(OC)cc2)C1(C)C 195287 ZXMJABXGGPNMTA-CHWSQXEVSA-N 290.407 3.889 0 40 CHAB CCc1ccc(OCC(=O)N2CCCc3ccccc32)cc1 486835 AEHPMMRMRSEQGQ-UHFFFAOYSA-N 295.382 3.607 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCc2ccccc21 32843557 ASPYFXXJLMCGBS-DYVFJYSZSA-N 297.423 3.971 0 40 CHAB O=C(Cn1c(Cl)nc2ccccc21)c1ccccc1 3121733 NKEGAEKDQQDLAP-UHFFFAOYSA-N 270.719 3.573 0 40 CHAB Cc1ccc(C)c(NC(=O)Cc2ccccc2F)c1 3479007 WSMGBKJJNNJMKF-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB OCCCCOc1c(Cl)cc(Cl)cc1Cl 4202511 RDPSHXAYWTWVEW-UHFFFAOYSA-N 269.555 3.798 0 40 CHAB O[C@@H](CCN1CC2CCC(CC2)C1)c1ccc(Cl)cc1 6536143 HOFIIDWONAPDKX-KVULBXGLSA-N 293.838 3.886 0 40 CHAB C[C@H]1OCC[C@@H]1Nc1ccc(Cl)c(Br)c1 96034114 QVFDBRTYZDSBRA-HQJQHLMTSA-N 290.588 3.692 0 40 CHAB O=C(O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 37374931 CGUGZTHXTKFWPR-ZDUSSCGKSA-N 280.682 3.684 0 40 CHAB in-vitro Cc1occc1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 23198250 XTWFXMJRSGXENM-UHFFFAOYSA-N 299.301 3.917 0 40 CHAB Cc1cnc(CSc2ncc(-c3ccccc3)o2)cn1 84258555 SWXARDODIGWRHS-UHFFFAOYSA-N 283.356 3.732 0 40 CHAB O=C(C1=CN=S=N1)N(C1CCCCC1)C1CCCCC1 101181225 BCWCSVBRCJZJCL-UHFFFAOYSA-N 293.436 3.785 0 40 CHAB O=C(O)CCCNCc1ccc(-c2ccc(Cl)cc2)o1 62718007 LQDGAKFQLYFAKK-UHFFFAOYSA-N 293.750 3.554 0 40 CHAB Cc1ccc2c(CC(=O)Nc3cccc(C)n3)coc2c1 27587450 SWBWFUAPPWSUIS-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB Cc1ccc(C(=O)c2ccc(CN3CC=CC3)cc2)cc1C 2514903 ALWQETUJWSDKFS-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 19724427 WHYMWXGRPGDNSV-UHFFFAOYSA-N 288.253 3.546 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccco1 6669976 YDBCLPBJCTTZHP-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB CCC(C)(C)[C@H]1CCc2c(C(=O)O)csc2C1 5916881 WWUGTZPJDPJNHC-VIFPVBQESA-N 252.379 3.987 0 40 CHAB CCN(Cc1ccoc1)C(=O)Nc1ccc2nc(C)oc2c1 71185006 DJEZPFOZERMUAI-UHFFFAOYSA-N 299.330 3.783 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1ccnc(Cl)c1 19813466 UUPSQEWYHILLHW-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1ncoc1C(=O)N[C@H](C)c1ccc2ccccc2c1 72310035 GNHAVGUCBHVHJH-LLVKDONJSA-N 280.327 3.627 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cnc(Cl)nc1Cl 85347968 FHWYREZXHZHYGA-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB CC[C@H](C)C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C 89942155 WBGIZIRNJSYUAK-QEJZJMRPSA-N 259.393 3.589 0 40 CHAB O=C(Cc1cccc(Cl)c1)Nc1c(F)cccc1F 67787936 NPKUEJCNIPKXTG-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB FC(F)(F)COCc1nn(C2CCCC2)cc1Cl 408715821 FGMLOFKZYBGERA-UHFFFAOYSA-N 282.693 3.731 0 40 CHAB Cc1cccc(CNC(=O)COc2cc(C)cc(C)c2C)c1 218968394 BYFAXXZXTSKTJS-UHFFFAOYSA-N 297.398 3.615 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 36622215 CQKNLCRBHNMRQL-JKSUJKDBSA-N 297.398 3.682 0 40 CHAB FC(F)(F)Oc1cccc(C[C@@H]2CCCCNC2)c1 77293302 JLTHLGACDUDISW-LBPRGKRZSA-N 273.298 3.517 0 40 CHAB in-vitro C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1cccc(F)c1 78556131 HNPPDHZNYINYHN-NSPYISDASA-N 280.339 3.975 0 40 CHAB CCCN1CCCC[C@@H]1c1cccnc1SC 72216959 NQOCQQMVFUAUAX-CYBMUJFWSA-N 250.411 3.741 0 40 CHAB Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCC1 226265815 VAQYFSLRUCXXGY-UHFFFAOYSA-N 295.386 3.511 0 40 CHAB CCCCOc1ccccc1[C@@H](C)NCCCOC 225161368 PKEXOJXHQQZJEM-CQSZACIVSA-N 265.397 3.553 0 40 CHAB CCCOc1ccc(NC(=O)C(F)(F)F)c2cccnc12 225878842 JDZUSQSNSURRBX-UHFFFAOYSA-N 298.264 3.524 0 40 CHAB CCC(=O)Nc1cc(N2CCCC[C@@H]2C)c(N)cc1Cl 45891746 LPFMSVDUYZMLPS-JTQLQIEISA-N 295.814 3.650 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2)o1 226304643 DOCABOFQJZHFHF-CHWSQXEVSA-N 298.386 3.932 0 40 CHAB Cc1ccc(NC(=O)c2conc2-c2ccccc2)cc1 225870839 KRVQVZLOHJUPCU-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB Cc1ccc(C=O)c(OCc2ccccc2F)c1C 95095143 BIRWGKQMOZXGMQ-UHFFFAOYSA-N 258.292 3.834 0 40 CHAB Cc1ccc(NC2CCCCCC2)cc1NS(C)(=O)=O 95428653 SUVQMGYRMFIPJT-UHFFFAOYSA-N 296.436 3.501 0 40 CHAB CCOCSc1ncc(-c2ccc(F)cc2)o1 252480075 BUEQXTYURYHCSE-UHFFFAOYSA-N 253.298 3.567 0 40 CHAB CCCCCCNC(=S)Nc1ccc(Cl)cn1 16638120 CQOOTXRJULXZKV-UHFFFAOYSA-N 271.817 3.602 0 40 CHAB Cc1ccc(CN[C@@H](C)c2cnn(C)c2C)cc1Cl 193733479 LZDZNIFWKJWEKY-NSHDSACASA-N 277.799 3.541 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccccc1Br 574538 FRTBGFOGURCEEL-BQYQJAHWSA-N 292.132 3.694 0 40 CHAB CCCCNC(=O)/C=C/c1ccc(Cl)cc1Cl 6042639 RKKWZADCZLYXNH-FNORWQNLSA-N 272.175 3.923 0 40 CHAB C[C@@H]1C(O)[C@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 5730032 GGCLDJYYOISOSI-URAHIKNTSA-N 281.399 3.705 0 40 CHAB O=C(C1CCCC1)N1CC=C(c2c[nH]c3ccccc23)CC1 11071722 BNZPSAZNPKJUFQ-UHFFFAOYSA-N 294.398 3.974 0 40 CHAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)S2 16266279 HOXOCOMPXMLEAB-AWEZNQCLSA-N 268.341 3.969 0 40 CHAB O[C@H](c1ccccc1)c1cccc(Br)c1 16955382 QAJARQNJEMLYCX-CYBMUJFWSA-N 263.134 3.531 0 40 CHAB FC(F)(F)c1cccc(CSc2ncccn2)c1 16991771 PEGOJHROBKEXRK-UHFFFAOYSA-N 270.279 3.788 0 40 CHAB Fc1ccc(CSc2ccc(-c3ccccn3)nn2)cc1 4358013 JMJFQEXCBPCXMV-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC2CCCCC2)o1 40012154 KEDCQPLLXNZWJB-IUODEOHRSA-N 275.392 3.785 0 40 CHAB CCN1C(=O)[C@H](Cc2ccc(F)cc2)c2ccccc21 101014898 QYXDZZXNLOSCST-OAHLLOKOSA-N 269.319 3.519 0 40 CHAB CCOc1ccccc1C[C@H]1C(=O)N(CC)c2ccccc21 101014408 PUXVNXIOMOGBLG-MRXNPFEDSA-N 295.382 3.778 0 40 CHAB Cc1c2[nH]c3ccccc3c2c2c([n+]1C)CC(C)(C)CC2 242668 APOIXOPWTIAVHY-UHFFFAOYSA-O 279.407 3.969 0 40 CHAB C[C@@H]1COc2ccccc2N1C(=O)c1ccccc1Cl 1389052 ZQFFBZTYTNUOFE-LLVKDONJSA-N 287.746 3.768 0 40 CHAB Cc1ccc(CCOC(=O)Nc2ccccc2)cc1 1598735 HJTXPKXEFBAPAO-UHFFFAOYSA-N 255.317 3.786 0 40 CHAB Cn1cc(Cc2ccccc2)c(=O)c(Cc2ccccc2)c1 1662218 DKMXZAGSGCAVPX-UHFFFAOYSA-N 289.378 3.567 0 40 CHAB Cc1ccc(C(=O)C[C@H](SCCO)c2ccco2)cc1 2708416 AXGDTYZBOVLJNJ-INIZCTEOSA-N 290.384 3.628 0 40 CHAB O=C(Cc1ccsc1)Nc1ccc(O)c2ccccc12 32865210 SWVQKAFZCCPRJR-UHFFFAOYSA-N 283.352 3.788 0 40 CHAB O=c1c(O)c(-c2cc3ccccc3o2)oc2ccccc12 3207233 TWRXLIAJGDRMAA-UHFFFAOYSA-N 278.263 3.912 0 40 CHAB CC1(C)O[C@H](c2ccccc2)[C@@H]2C[C@H]1CC[C@]2(C)O 4024726 LEVCRGWPKKRIOU-DLTWYDFYSA-N 260.377 3.704 0 40 CHAB CCOC(Cn1c(CC(C)C)nc2ccccc21)OCC 572652 HGDQBIGZJSLUTE-UHFFFAOYSA-N 290.407 3.634 0 40 CHAB O=C(NCCCc1ccc(Cl)cc1)c1ccccc1F 10542385 TXORIKZMEIQZQB-UHFFFAOYSA-N 291.753 3.842 0 40 CHAB O=C(OCc1ccccn1)c1cccc2ccccc12 23027402 NMJRQWYUWMKAEM-UHFFFAOYSA-N 263.296 3.592 0 40 CHAB N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 55225501 ASYITWYWBCCRPX-QMMMGPOBSA-N 257.177 3.658 0 40 CHAB in-vitro Cc1cc(=O)cc(C)n1-c1ccc(Cl)c(Cl)c1 1463389 XHPIRRVUZAZXJV-UHFFFAOYSA-N 268.143 3.761 0 40 CHAB CCCOc1ccc(C(=O)CCCCCC(=O)O)cc1 2579979 YBSQQRIJBUICJE-UHFFFAOYSA-N 278.348 3.693 0 40 CHAB COc1cccc(CCC(=O)c2ccccc2F)c1 2516521 PKGVXZVWEMPLIH-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB CCC[C@H](C)N(C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 48370342 AKAJZQCRTZXXKY-LBPRGKRZSA-N 291.395 3.606 0 40 CHAB c1ccc2c(CN3CCCN4CCC[C@H]4C3)cccc2c1 64571281 IRPVZGCJVHYJPY-SFHVURJKSA-N 280.415 3.510 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1cccnc1 24781177 DNYSWCUOJZPLCM-OAHLLOKOSA-N 285.322 3.590 0 40 CHAB O=c1ccc2ccc(OC/C=C/c3ccccc3)cc2o1 5222093 JCIIRNVOQBXRNF-QPJJXVBHSA-N 278.307 3.885 0 40 CHAB COc1cc2ccccc2cc1C(=O)NC1CCCC1 6561451 QOGCUOBEAMDFSF-UHFFFAOYSA-N 269.344 3.521 0 40 CHAB CCCNC(=S)Nc1ccc(Cl)c(Cl)c1 4685181 HTWDSXYMZTZVOI-UHFFFAOYSA-N 263.193 3.690 0 40 CHAB CCCCCCc1cc2cc(C(C)=O)c(=O)oc2cc1O 5929408 BGAZGUZBSNPFDQ-UHFFFAOYSA-N 288.343 3.824 0 40 CHAB biogenic O=C(c1cccc(F)c1)N1CCc2[nH]c3ccccc3c2C1 9899874 NFAVEMXRWWBKEJ-UHFFFAOYSA-N 294.329 3.506 0 40 CHAB CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(C)cc(C)n1 97378586 JTTBFPOOWMNTEB-OAHLLOKOSA-N 298.390 3.708 0 40 CHAB C[C@H](NCCn1cnc2ccccc21)C1CCCCC1 84636441 OVMZKSYQDXZVTP-AWEZNQCLSA-N 271.408 3.595 0 40 CHAB Cc1nc(N2CCC[C@@H]2Cc2ccccc2)sc1C 95964983 LUYRMMUNEYTTCP-OAHLLOKOSA-N 272.417 3.971 0 40 CHAB CCc1cnc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)s1 95968993 DICAYHXIOMZKPD-VXGBXAGGSA-N 292.452 3.895 0 40 CHAB CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 36562523 JWQWOWGOQBKOKC-CLVCIHKQSA-N 265.356 3.967 0 40 CHAB CCOC(=O)[C@H](C)Nc1ccc(Cl)c(C(F)(F)F)c1 33967516 SPWAOQXTQZRZHY-ZETCQYMHSA-N 295.688 3.722 0 40 CHAB CCOc1ccccc1C(=O)c1cc(F)cc(F)c1 55240133 QMNWWFNQFGYJQR-UHFFFAOYSA-N 262.255 3.595 0 40 CHAB Cc1ccc([C@H](C)NCc2ccc(F)c(F)c2)o1 34993673 SROUCYMJIVPFDH-JTQLQIEISA-N 251.276 3.717 0 40 CHAB O=Cc1cc2ccc(C(F)(F)F)cc2nc1Cl 219511732 MPQTZOWCOJIVHN-UHFFFAOYSA-N 259.614 3.720 0 40 CHAB CCn1c2ccc([C@H](C)O)cc2c2cc([C@H](C)O)ccc21 73634191 DLTNNSFHHCRQFD-RYUDHWBXSA-N 283.371 3.921 0 40 CHAB CC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccccc1 139065797 CPWWKHKAIGCZPM-SFHVURJKSA-N 297.398 3.895 0 40 CHAB CC[C@H](Oc1ccccc1F)C(=O)NCC1=CCCCC1 224615463 KONDKQPDWSIXKR-HNNXBMFYSA-N 291.366 3.600 0 40 CHAB CCc1ccc(CC)c(CNC(=O)c2cccs2)c1 224722844 SDDFXWGBWPAAJH-UHFFFAOYSA-N 273.401 3.803 0 40 CHAB O=C(Nc1ncc(Cl)cc1Cl)c1ccc(F)cc1 89228945 DJEUSEQDVRTTFK-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB OCc1ccc(OCc2c(F)cccc2Cl)cc1 42199902 FVBKJBQWOAMJIY-UHFFFAOYSA-N 266.699 3.550 0 40 CHAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)C(C)C)cc(C)c1Cl 225207086 LLDAMALMRKNICD-CHWSQXEVSA-N 297.826 3.885 0 40 CHAB CC(C)n1c(CCc2ccccc2)ccc1C(=O)O 226028703 RYNVJNMYFMFCQU-UHFFFAOYSA-N 257.333 3.552 0 40 CHAB CCc1ccc(C(=O)CC2(CC(=O)O)CCCC2)cc1 40224358 OMSUGHVERKLRMA-UHFFFAOYSA-N 274.360 3.857 0 40 CHAB CCC(=O)Nc1cc(Br)c(F)cc1Cl 98018945 CQNMAWRDJDSKRL-UHFFFAOYSA-N 280.524 3.590 0 40 CHAB CC[C@@H](c1ccncc1)N(CC)C(=O)CSC(C)(C)C 96416815 WUOXRORLZYEVJE-AWEZNQCLSA-N 294.464 3.913 0 40 CHAB O[C@@H](CCC1OCCCO1)c1cccc(Cl)c1Cl 95728441 LWKUDSVWWLLABC-NSHDSACASA-N 291.174 3.570 0 40 CHAB CCCCC(C(OCC)OCC)C(OCC)OCC 95889665 PXEYZWGANNWXGE-UHFFFAOYSA-N 276.417 3.591 0 40 CHAB C1=C(CCN[C@@H]2CC3(CCC3)Oc3ccccc32)CCOC1 90809475 GZCKNXVNDPBNFL-QGZVFWFLSA-N 299.414 3.759 0 40 CHAB CCCc1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194433 YIQRUPTZDUWTPC-UHFFFAOYSA-N 298.371 3.860 0 40 CHAB Cc1cc(CNC2(c3ccccc3)CCCCC2)no1 96476147 IWMOYETXXKNSCK-UHFFFAOYSA-N 270.376 3.932 0 40 CHAB CC(C)(C)OC(=O)N1CCC(C)(C)c2cc(N)ccc21 95635378 KVPSSEZRIDVILP-UHFFFAOYSA-N 276.380 3.692 0 40 CHAB in-vitro COc1ccc(-c2csc(NC(=O)C=C(C)C)n2)cc1 148983 CASOXSDJQTVSDG-UHFFFAOYSA-N 288.372 3.723 0 40 CHAB c1ccc(CCCSc2nnc(NC3CC3)s2)cc1 13013374 LDQWYOWYKAHPNF-UHFFFAOYSA-N 291.445 3.837 0 40 CHAB Oc1ccc(-c2nnc(SCc3ccccc3)o2)cc1 13126449 KLMFEJLVDLLWJA-UHFFFAOYSA-N 284.340 3.735 0 40 CHAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccco2)cc1 14268914 BNXVJTJIKYQWBV-CYBMUJFWSA-N 284.359 3.911 0 40 CHAB Cc1cccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)c1 4644511 FJPXJCSHQLXKNE-GDNBJRDFSA-N 297.741 3.993 0 40 CHAB Cc1noc([C@H](C)Sc2ccc3ccccc3n2)n1 22966766 SRBPWYIYAOZSDC-VIFPVBQESA-N 271.345 3.780 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 12767770 RZCWRVNPDOVAJW-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB COC(=O)c1ccc(CN[C@H](C)c2ccccc2Cl)o1 34994147 BRVKPLMSKUSWBU-SNVBAGLBSA-N 293.750 3.570 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cc(=O)c3ccccc3o2)c1 189215 JDAPZGDEAHHVJE-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB Oc1ccnc2c(Br)ccc(C(F)(F)F)c12 102686373 OMZGFJRPVGFEBF-UHFFFAOYSA-N 292.054 3.722 0 40 CHAB C[C@@]1(O)Cc2cc3c(c(OCc4ccccc4)c21)CCC3 2113462459 SBZYYFHMQCRNCG-LJQANCHMSA-N 280.367 3.518 0 40 CHAB C[C@H](NC(=O)CC(F)(F)F)c1ccc(Cl)s1 40074607 HXSCKKBFPWRRPD-YFKPBYRVSA-N 271.691 3.531 0 40 CHAB CCc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C 40023819 MFGCQJWNEXKTSU-TZMCWYRMSA-N 260.381 3.949 0 40 CHAB CCc1nsc2nc(-c3ccccc3Cl)oc(=O)c12 40464784 OVNZWJGTSVSDTR-UHFFFAOYSA-N 292.747 3.527 0 40 CHAB CC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1C 193500 RQTVXCMTCQZIPK-UHFFFAOYSA-N 294.763 3.560 0 40 CHAB CCc1ccc(NC(=O)[C@@]23CC[C@H](C2)C(C)(C)C3=O)cc1 100769162 ZFBPDCMVHFIDKD-ACJLOTCBSA-N 285.387 3.583 0 40 CHAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)c1cccs1 32879002 BYLNPYMCLLOGKB-QMTHXVAHSA-N 289.425 3.642 0 40 CHAB N=C1c2ccccc2CN1c1ccc(OC(F)(F)F)cc1 3238030 XEEGMCDTZIIHGK-UHFFFAOYSA-N 292.260 3.931 0 40 CHAB Clc1nc2c(-c3ccccc3)nnn2c2ccccc12 3907063 WMODRRDEXUWTIG-UHFFFAOYSA-N 280.718 3.598 0 40 CHAB C1=CC[C@@H](CN2CCCC[C@@H]2c2cccnc2)CC1 22022987 CIBSHJVEIGZLPS-NVXWUHKLSA-N 256.393 3.965 0 40 CHAB COc1cc(CO)cc(Cl)c1OCc1cccc(C)c1 8727826 XFBXFMXGPQNVTB-UHFFFAOYSA-N 292.762 3.728 0 40 CHAB O=C1N(c2ccccc2)[C@H](c2ccccc2F)C1(F)F 3195637 AOKCLXHHVHILMU-CYBMUJFWSA-N 277.245 3.549 0 40 CHAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108924867 GZLMXKGDLFLCCX-ATVPRXPUSA-N 291.822 3.823 0 40 CHAB COc1ccc(-n2cc3ccsc3c2)c(OC)c1 1400005 JYDNRERZHTXTIU-UHFFFAOYSA-N 259.330 3.709 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)N[C@H](C)c1ccco1 25261380 UNWCLTGAODXTJD-SNVBAGLBSA-N 268.316 3.560 0 40 CHAB CCn1cc(Cl)c(C(=O)Nc2ccc(C(C)C)cc2)n1 28222802 WNOKALMJLGJEJI-UHFFFAOYSA-N 291.782 3.932 0 40 CHAB C[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccccc1 57370893 WQHNVCSQYFWFJH-LBPRGKRZSA-N 288.778 3.629 0 40 CHAB CCCc1nc(Nc2ccccc2)c2c(n1)c(C)nn2CC 57355832 TWMXADCAWMIXCR-UHFFFAOYSA-N 295.390 3.851 0 40 CHAB COCc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 44549589 RZKMIOUTJBDGOJ-UHFFFAOYSA-N 299.414 3.988 0 40 CHAB CSc1ccc([C@H](C)NC(=O)c2ccc(C)nc2)cc1 27165342 HXGMWPLVAWIGSQ-LBPRGKRZSA-N 286.400 3.603 0 40 CHAB O=C(c1cccs1)N(Cc1cccs1)C1CC1 45257179 IISXCSUKOCMSGA-UHFFFAOYSA-N 263.387 3.614 0 40 CHAB CCCCCc1nnc(NC(=O)Nc2ccccc2)s1 2343067 WBUGCVPVSAHFOG-UHFFFAOYSA-N 290.392 3.915 0 40 CHAB c1ccc2sc(COc3ccc4c(c3)OCO4)nc2c1 6128838 ZMBHKHDLLPINRZ-UHFFFAOYSA-N 285.324 3.604 0 40 CHAB CCC[C@H](C)NC(=O)c1c2c(nc3ccccc13)CCC2 6114257 WDWPJICBOKQJCK-LBPRGKRZSA-N 282.387 3.642 0 40 CHAB CCCCN(CCCC)C(=O)Cc1ccc(OC)cc1 5419373 HLWGQZAXGCADGE-UHFFFAOYSA-N 277.408 3.667 0 40 CHAB c1ccc2c(c1)nc(N1CCCCCC1)n2C1CSC1 4625863 XAMJGZOPVQZIKA-UHFFFAOYSA-N 287.432 3.705 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)C1(c2ccccc2)CC1 6882293 ZANQBXALRUANND-UHFFFAOYSA-N 277.367 3.846 0 40 CHAB O=C(O)CCc1ccc(OCc2ccc(Cl)cc2)cc1 8019454 CQGVXQIKBAYISR-UHFFFAOYSA-N 290.746 3.936 0 40 CHAB CC[C@@H](C)N[C@H](C)c1ccc(Br)cc1 19881997 VERWMFMRAAXIBX-NXEZZACHSA-N 256.187 3.898 0 40 CHAB Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@H]1C[C@@H]1C 69452838 NFEOQMQMCRDUPX-GWCFXTLKSA-N 299.399 3.531 0 40 CHAB Cc1cccc(OC(=O)c2cc(-c3ccccc3)on2)c1 20896616 BXSQIBFMWVRDTC-UHFFFAOYSA-N 279.295 3.869 0 40 CHAB Clc1nc2ccccc2nc1Nc1ccc2c(c1)OCO2 28539873 OJEVGBRESDYADJ-UHFFFAOYSA-N 299.717 3.756 0 40 CHAB O=c1ccccn1Cc1ccc(C2CCCCC2)cc1 505662720 QCUDPYXZTNBVJM-UHFFFAOYSA-N 267.372 3.944 0 40 CHAB Nc1nc(-c2cccc(NC(=O)c3ccccc3)c2)cs1 608722 NFCNICBSWRRWGR-UHFFFAOYSA-N 295.367 3.645 0 40 CHAB Cc1cc2[nH]c(-c3cccc(N)c3)nc2cc1Cl 73639117 LJUQWYLQSXGWGD-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB Cc1nc(-c2cccs2)ccc1C(=O)Nc1cccnc1 31335461 NPOIKPIKXVQUDE-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C(c1ccco1)N1CCS[C@H](c2ccccc2)CC1 211142913 PQVUPZKHYCEOJF-HNNXBMFYSA-N 287.384 3.600 0 40 CHAB CCOC(=O)Nc1ccc(NC(=O)c2ccsc2)cc1 44604974 PSHHKPRRJICPJH-UHFFFAOYSA-N 290.344 3.569 0 40 CHAB CSc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 44845315 GJHPERHCUFBMMN-UHFFFAOYSA-N 290.363 3.869 0 40 CHAB Cc1cc(C)cc(O[C@@H](Cc2ccc(C)cc2C)C(=O)O)c1 225025642 QKJAAGYFBDNGEV-SFHVURJKSA-N 298.382 3.995 0 40 CHAB Cc1cc2c(cc1O)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC2 86051976 ULORBDMEFAYHRJ-LZLYRXPVSA-N 274.404 3.702 0 40 CHAB biogenic CCc1ccc(CC(=O)N[C@H](C)c2ccc(C)cc2)cc1 225098873 DINSBEKTBOSYLZ-OAHLLOKOSA-N 281.399 3.977 0 40 CHAB CCCC(=O)Nc1ccccc1CN1CCc2ccccc21 47407600 TWECAMQWMYZKSA-UHFFFAOYSA-N 294.398 3.988 0 40 CHAB Cc1cccc(Nc2nc(N(C)C)c3ccccc3n2)c1 41146905 YDVSVDOIVRYWBO-UHFFFAOYSA-N 278.359 3.748 0 40 CHAB CC1=CC(C)(C)N(C(C)(C)C(=O)O)c2cc(C)ccc21 223203766 TXXOESLATMEYPU-UHFFFAOYSA-N 273.376 3.860 0 40 CHAB O=C1OCC(c2ccccc2)=C1c1cccc(Cl)c1 96517742 CGISZCOMLAVKST-UHFFFAOYSA-N 270.715 3.808 0 40 CHAB Brc1ccc(OCCCc2ccccn2)cc1 261506945 CTVXZLNGQKJGPW-UHFFFAOYSA-N 292.176 3.856 0 40 CHAB CCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1CC 685938345 IYKVEBDNYJAKTO-UHFFFAOYSA-N 269.266 3.672 0 40 CHAB O[C@H](CSCCc1cccs1)c1ccccc1 72278799 PXSAVOZAZATVEA-CQSZACIVSA-N 264.415 3.757 0 40 CHAB Cc1ccc(S(=O)(=O)N2CCC=Cc3ccccc32)cc1 1686651 YGGOUSFRQLTYMF-UHFFFAOYSA-N 299.395 3.607 0 40 CHAB Cc1cccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)c1 176732 YZQBWUALWCXSEQ-WJDWOHSUSA-N 277.323 3.648 0 40 CHAB Cc1cc(C)cc(NC(=O)c2ccc(F)c(F)c2F)c1 28210578 OIHVBYVFTVNVER-UHFFFAOYSA-N 279.261 3.973 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccncc1 18171995 CQCPUQYNMNGODU-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB COc1ccc(O[P@](=O)(O)/C=C/c2ccccc2)cc1 5513890 KZHFGWDPLCFSGK-VAWYXSNFSA-N 290.255 3.930 0 40 CHAB Cc1cc(C)n(CCCNc2nc3ccccc3s2)n1 23296117 AVFOVNAEFCLCIT-UHFFFAOYSA-N 286.404 3.612 0 40 CHAB CCCC(=O)Nc1ccc2c3c(cccc13)C(=O)N2CC 1518642 BOJHQCZYDIMCAD-UHFFFAOYSA-N 282.343 3.559 0 40 CHAB CC(C)(C)C(=O)NCc1cc(-c2ccoc2)cs1 1775969604 BWMHYWOQSXJABM-UHFFFAOYSA-N 263.362 3.670 0 40 CHAB CCOc1ccc2[nH]c(C)c(C/C=C(\C)Cl)c(=O)c2c1 8934606 KWBDSSZRLYZHHI-BJMVGYQFSA-N 291.778 3.920 0 40 CHAB Clc1ccc(-[n+]2nc(-c3ccccc3)cs2)cc1 383881 BYJHURLBKYXLIO-UHFFFAOYSA-N 273.768 3.740 0 40 CHAB Cc1nc2ccccc2n1C[C@@H]1CC1(Cl)Cl 352663 NVKCEYFKCICCSG-VIFPVBQESA-N 255.148 3.539 0 40 CHAB CC(C)Cc1ccc([C@H](C)C(=O)NCc2cccnc2)cc1 365185 PGGSHPXYXCGYPZ-HNNXBMFYSA-N 296.414 3.700 0 40 CHAB COc1ccc(C(=O)Oc2ccc(C)cc2C)cc1OC 365013 OMNBBAPOBUQPPO-UHFFFAOYSA-N 286.327 3.540 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1cccc(F)c1 365023 VWOCXPIIRSDILN-INIZCTEOSA-N 269.319 3.633 0 40 CHAB Cc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1 411260 OPKNHEKKFLYFMG-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB COc1ccccc1NC(=O)c1ccc(OCC(C)C)cc1 2619791 FBLQKPOUTJRYFM-UHFFFAOYSA-N 299.370 3.982 0 40 CHAB Cc1ccc(-c2cnc3c(Cl)c(C)nn3c2)cc1 1386200 XZMYIHBAXDNGDX-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB C[C@@H](NC(=O)Cc1cccc2cccnc12)c1ccccc1 32874031 SXTRNNCLCKHUSC-CQSZACIVSA-N 290.366 3.655 0 40 CHAB Cc1nn([C@@H](C)CC(=O)N[C@H](C)c2ccccc2)c(C)c1C 4993460 XSFVPXYJGPTCHY-SWLSCSKDSA-N 299.418 3.637 0 40 CHAB COC[C@H](Nc1cccc(-c2nc(C)c(C)o2)c1)C1CC1 97038185 DWTZXQZRMHBXNV-INIZCTEOSA-N 286.375 3.795 0 40 CHAB Cc1ccc(CNC(=S)c2ccc(C)cc2)cc1 9188165 DUJAXXJSXVEKOI-UHFFFAOYSA-N 255.386 3.769 0 40 CHAB C[C@H](NC(=O)c1cc2ccccc2o1)[C@H]1C[C@H]2CC[C@H]1C2 104657553 VYUGXMKFMWEWJD-PWNZVWSESA-N 283.371 3.987 0 40 CHAB Cc1ccnc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c1 12533829 MHKLXZYTKVGURG-JSGCOSHPSA-N 284.359 3.678 0 40 CHAB C[C@H](CCO)CNC(=O)N(c1ccccc1)c1ccccc1 96007721 OHGQWXUUFJUCEO-OAHLLOKOSA-N 298.386 3.553 0 40 CHAB Cc1cccc(N2C(=O)S[C@@H](Nc3ccccc3)C2=O)c1 1227757 GSSPFXLVLYUCFN-CQSZACIVSA-N 298.367 3.633 0 40 CHAB C[C@@H](NC(=O)C1(C)CCCCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100663375 ZEDXCBOWIYGFBY-TUVASFSCSA-N 263.425 3.898 0 40 CHAB Clc1nn2c(Cl)c(Cl)nc2c(Cl)c1Cl 104833908 SQWWFTVBXDIYGH-UHFFFAOYSA-N 291.352 3.996 0 40 CHAB CCc1ccc2nc(NCc3ccccn3)sc2c1 26422441 PZTLEZNDYPPUSV-UHFFFAOYSA-N 269.373 3.866 0 40 CHAB Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2ccncc2)c1 57561403 RHZXGTWLOBFOPO-KRWDZBQOSA-N 280.371 3.676 0 40 CHAB CC[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 27150234 VRHNTXCSPHERLD-AWEZNQCLSA-N 284.403 3.749 0 40 CHAB CSc1ccc(Cl)c(C(=O)NC2CCCC2)c1 3334876 YSNHJHMTWAPYLU-UHFFFAOYSA-N 269.797 3.734 0 40 CHAB Cc1cccc([C@@H]2CCCN2Cc2cnn(C(C)(C)C)c2)n1 93453639 NZCQLTKBWNFNAY-KRWDZBQOSA-N 298.434 3.679 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H](C)c1ccccc1 36435366 FHDNOEFTTDQUOC-FMKPAKJESA-N 274.408 3.968 0 40 CHAB CC1(C)COC(CCCC(=O)c2ccccc2F)OC1 2518053 XEEUXVRRXFMXDX-UHFFFAOYSA-N 280.339 3.578 0 40 CHAB O=C(NCc1ccccc1F)N[C@H](c1ccccc1)C1CC1 12994167 PSGSWULCMCFMLU-QGZVFWFLSA-N 298.361 3.776 0 40 CHAB c1ccc2sc(SCc3nnc(C4CC4)o3)nc2c1 48986954 NMKAICRAXTTYSO-UHFFFAOYSA-N 289.385 3.849 0 40 CHAB Cc1noc([C@@H](C)Sc2cccc(Cl)c2)n1 69705615 OBHDXVHEUPGZFL-SSDOTTSWSA-N 254.742 3.885 0 40 CHAB CC[C@H](C(=O)Nc1cccc([C@H](C)O)c1)c1ccccc1 4666601 JANQIHLDHGTDLA-GUYCJALGSA-N 283.371 3.872 0 40 CHAB CCOC(=O)c1sc(N[C@@H](C)c2ccccc2)nc1C 6671242 WISMASNKFRDHNK-JTQLQIEISA-N 290.388 3.801 0 40 CHAB Cc1ccc(C)c(NC(=O)CCN2C[C@H](C)C[C@@H](C)C2)c1 4743753 SNFXETNYWHPWJA-HUUCEWRRSA-N 288.435 3.610 0 40 CHAB COc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3)cc2c1 4778855 GQFBFZDPGBYQEP-UHFFFAOYSA-N 284.290 3.568 0 40 CHAB Cc1cccc(C)c1NC(=O)CN1c2ccccc2C[C@H]1C 6821017 SUEXERYTHVTREM-OAHLLOKOSA-N 294.398 3.693 0 40 CHAB CCc1cccc(C)c1NC(=O)[C@@H]1COc2ccccc2C1 8113010 XXDUPXYGERAJKL-INIZCTEOSA-N 295.382 3.747 0 40 CHAB Cc1noc([C@@H](C)Nc2ccc(C)c(OCC(F)F)c2)n1 69374513 XWYYRBMLLUHYOB-SECBINFHSA-N 297.305 3.503 0 40 CHAB Cc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)o1 9447132 BCUMDKXZNZQXNN-CYBMUJFWSA-N 263.362 3.777 0 40 CHAB COc1ccccc1-c1noc([C@H]2C[C@H]2c2ccco2)n1 83982736 DKDOCGMDSKVVOE-NEPJUHHUSA-N 282.299 3.609 0 40 CHAB Cc1ccc(C[S@](=O)Cc2ccn(C(C)C)n2)cc1C 95418342 BCLHBQRASXMQQH-HXUWFJFHSA-N 290.432 3.530 0 40 CHAB COC(=O)Nc1ccc(OCc2nc(C)c(C)s2)cc1 88511862 FFJOIMSUZODLFV-UHFFFAOYSA-N 292.360 3.517 0 40 CHAB O=C(C[C@@H]1CCCN1C(=O)c1ccsc1)c1ccccc1 85482065 MDOCCPDGRVUOOZ-HNNXBMFYSA-N 299.395 3.626 0 40 CHAB Cc1c(F)cccc1NC(=O)c1ccnc(Cl)c1F 89540356 LFOCVLLRSMDJDT-UHFFFAOYSA-N 282.677 3.574 0 40 CHAB Clc1ccc(C2=CCC3(CC2)OCCO3)cc1 21989407 FSVPTHZYWZDTIK-UHFFFAOYSA-N 250.725 3.650 0 40 CHAB in-vitro COc1ccc(CC(=O)c2ccc(C)cc2C)cc1 36941001 JFXBGAXPQFQFSA-UHFFFAOYSA-N 254.329 3.737 0 40 CHAB Cc1ccc(Cc2sc(N)nc2C)cc1Cl 36205909 GLMQAJIEAYDAGR-UHFFFAOYSA-N 252.770 3.586 0 40 CHAB C[C@@H](Cc1cccs1)NC(=O)CCCc1ccccc1 38565776 GIUQUNQCTVRULA-AWEZNQCLSA-N 287.428 3.818 0 40 CHAB Cn1c(CNCCCc2ccccc2)cc2sccc21 72389375 XPFUFLQQATVANH-UHFFFAOYSA-N 284.428 3.962 0 40 CHAB CCCCN1CCC[C@H]1c1cnc(S)cc1C 72218326 BACFDWQOOLTLLS-ZDUSSCGKSA-N 250.411 3.616 0 40 CHAB CCN1CC=C(c2nc3cc(C)c(C)cc3o2)CC1 73636008 GJMMIKAHFWPIHI-UHFFFAOYSA-N 256.349 3.554 0 40 CHAB FC(F)(F)[C@@H]1CCC[C@H](N[C@@H]2CCO[C@H](C3CC3)C2)C1 130399939 BAVMIBQEBOCUHJ-RQJABVFESA-N 291.357 3.655 0 40 CHAB COc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1 222948787 YLNMMPVHCSYLNK-UHFFFAOYSA-N 269.344 3.589 0 40 CHAB COc1cc(C)c(C(=O)N[C@@H](C)C(C)C)cc1C(C)C 225235438 KBMWSOYIZWUWSA-ZDUSSCGKSA-N 277.408 3.901 0 40 CHAB O=C(Nc1cc(-c2cccnc2)no1)c1ccc(Cl)cc1 96100812 VIOGHVKNBRONMC-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB C[C@@H](C(=O)N[C@H](C)C(C)(C)C)n1cc(-c2ccccc2)cn1 257173277 IFRMUHOROULFRS-UONOGXRCSA-N 299.418 3.662 0 40 CHAB CCc1c(C2CC2)[nH]c2ccc(OC(F)(F)F)cc2c1=O 685938502 WDHCIOCSAGYHGP-UHFFFAOYSA-N 297.276 3.867 0 40 CHAB Cc1cccc(CNCCCSC(F)(F)F)c1 95918324 BWVHXAZNIFPOMO-UHFFFAOYSA-N 263.328 3.728 0 40 CHAB COCC1CCN(Cc2cccc3ccccc23)CC1 112355566 VBSWWPUQCASCSY-UHFFFAOYSA-N 269.388 3.698 0 40 CHAB Fc1ccc(CNCc2ccc3[nH]ccc3c2)cc1 15424178 GBRFRAWXJWVHHW-UHFFFAOYSA-N 254.308 3.597 0 40 CHAB CSC(=N)c1cccc(OCc2ccccc2)c1 17039894 QUQVZMGSZIPBRH-UHFFFAOYSA-N 257.358 3.954 0 40 CHAB c1ccc(C2CCN(Cc3cn4ccccc4n3)CC2)cc1 16739587 ZRZZRGKNYDTRNW-UHFFFAOYSA-N 291.398 3.714 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1N 19273374 CMGRCDAMHJBKHM-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB C[C@]12CC[C@@H]3[C@H]4CCC(=O)C[C@H]4CC[C@H]3[C@@H]1CCC2=O 6067860 CRDKSBHJIGNEOH-ARAASWILSA-N 274.404 3.777 0 40 CHAB Cc1ccc(-c2nnc(NC(=O)C3CCCCC3)o2)c(C)c1 15391393 RQTNBOSBDFHNBO-UHFFFAOYSA-N 299.374 3.872 0 40 CHAB Fc1ccc(CNc2ccccc2-n2ccnc2)cc1F 36920270 OJZCQXQGXAMYER-UHFFFAOYSA-N 285.297 3.763 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1 22534099 MMHJHRBDYVSGNI-ZDUSSCGKSA-N 269.344 3.655 0 40 CHAB Cc1cc(CC[C@@H]2CCCN2CCC(F)(F)F)ccn1 2037845356 AYFHILHUWBPLEM-AWEZNQCLSA-N 286.341 3.739 0 40 CHAB O=C(CCc1cccs1)Nc1ccc2c(c1)NCCC2 195542900 AUHMHMCTNXTUNI-UHFFFAOYSA-N 286.400 3.678 0 40 CHAB C[C@@H](Cc1ccco1)NC(=O)Nc1ccccc1Cl 44444263 HYYFYWSVODXGHT-JTQLQIEISA-N 278.739 3.686 0 40 CHAB O=C(NC1CCCC1)N1CCCC[C@@H](c2ccccc2)C1 575413797 VKCFFKICYRNRDR-MRXNPFEDSA-N 286.419 3.908 0 40 CHAB Cc1[nH]c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2c1C 141060 YVQFYXRDDFEIJZ-UHFFFAOYSA-N 280.249 3.645 0 40 CHAB CC1CCN(CC(=O)Nc2ccc3ccccc3c2)CC1 194745 NLYDGRAKTGLDJJ-UHFFFAOYSA-N 282.387 3.510 0 40 CHAB Cc1ccc(-c2nc(CSc3nncs3)cs2)o1 40516013 MLLUSOMLSWEBLY-UHFFFAOYSA-N 295.414 3.855 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 20892194 HVUYPIQTMHTCNG-ZDUSSCGKSA-N 256.349 3.573 0 40 CHAB CCOC(=O)c1cc(-c2cccc(Cl)c2Cl)no1 524490 DWTLXIDGOCZNQF-UHFFFAOYSA-N 286.114 3.825 0 40 CHAB COc1ccccc1Nc1ncc(C(=O)O)c2ccccc12 21365249 BMDHYAYETCZWLC-UHFFFAOYSA-N 294.310 3.685 0 40 CHAB CC(C)OCCCNC(=O)c1ccccc1SC(C)C 8050145 SVZWRSMTNQBZGR-UHFFFAOYSA-N 295.448 3.732 0 40 CHAB COc1ccc2oc3cc[n+]([O-])c(-c4ccccc4)c3c2c1 542642 HFFCCHHPHSOAPN-UHFFFAOYSA-N 291.306 3.895 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2ccccn2)C1(C)C 55519162 LJBYGTTVEVMYBP-DJIMGWMZSA-N 298.430 3.984 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 107150322 ITAAODZSCWETAN-JQFCIGGWSA-N 265.356 3.668 0 40 CHAB C[C@H](O)[C@@H](C)S[C@H](C)Cc1ccc2ccccc2n1 107512140 MDARMRPECQSWGD-FRRDWIJNSA-N 275.417 3.668 0 40 CHAB O=C(NCc1ccccc1F)Nc1ccc2c(c1)CCC2 20495108 BIJIBAWZQFUBED-UHFFFAOYSA-N 284.334 3.636 0 40 CHAB CC(C)(C)c1nnc(CN2CCC[C@@H]2c2cccs2)o1 44914519 FONICMPHCOFGLN-LLVKDONJSA-N 291.420 3.766 0 40 CHAB Cc1ccc(C(=O)COc2nc(C)nc3ccccc23)cc1 3331805 IMRASPFSVWDZKV-UHFFFAOYSA-N 292.338 3.508 0 40 CHAB CC(=O)Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1 408531885 MRLGMRANCDRKTD-UHFFFAOYSA-N 290.322 3.736 0 40 CHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(F)cc1 45950626 FBDXDBFDPGBBBL-DOMZBBRYSA-N 294.370 3.543 0 40 CHAB CCC(CC)NC(=O)Nc1cccc(SC)c1 13320112 RAYKQARCQPZLJA-UHFFFAOYSA-N 252.383 3.719 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@H]1C=CCC1 14702262 QGEWJUBUJRUUSF-HNNXBMFYSA-N 295.386 3.784 0 40 CHAB Cc1ccc(N[C@H](C)C(=O)N2CCc3ccccc32)cc1C 7222947 WFTVWZVUMKRMIJ-OAHLLOKOSA-N 294.398 3.693 0 40 CHAB COc1ccc2nc(/C=C/c3cccnc3)sc2c1 7621372 AZHMNUFBUUXKHK-QPJJXVBHSA-N 268.341 3.870 0 40 CHAB Cc1nnc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)o1 84291502 WAJRVYGAQVJWKO-FMQWLBJXSA-N 297.402 3.836 0 40 CHAB O[C@@H]1CCCN(Cc2ccccc2)c2ccccc21 97109126 HTKQDGMCRQIAOD-QGZVFWFLSA-N 253.345 3.520 0 40 CHAB Cc1nc(-c2ccncc2)cc(N(C)C2CCCCC2)n1 95430924 RYUQCQFEXJQRKI-UHFFFAOYSA-N 282.391 3.616 0 40 CHAB O=Cc1cc(Br)c(-n2ccc3ccccc32)o1 408551936 KBZIRMRDUDKDTL-UHFFFAOYSA-N 290.116 3.799 0 40 CHAB O=C(Nc1cccc(F)c1)c1cnc(-c2ccccc2)nc1 67657332 DAIASOLSYJRABW-UHFFFAOYSA-N 293.301 3.535 0 40 CHAB CO[C@@H](CNC(=O)c1ccsc1)c1ccccc1Cl 121916003 CYMWEKMOJYHFFH-ZDUSSCGKSA-N 295.791 3.519 0 40 CHAB Cc1ccccc1C(=O)NC(C)(C)Cc1ccccc1 40620982 UONSYOQLMGPWGX-UHFFFAOYSA-N 267.372 3.746 0 40 CHAB Cc1cc2nc(-c3cccc(-n4cnnc4)c3)oc2cc1C 45920501 ARNBOVKTVMMPJC-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB C[C@H]1CCCN(Cc2ccccc2Br)C1 42205914 WPQXIRYYMZJHNN-NSHDSACASA-N 268.198 3.681 0 40 CHAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)C(C)C)ccc1Cl 48628259 KDPRXYIZCKAOCD-NEPJUHHUSA-N 283.799 3.576 0 40 CHAB C[C@H](CNc1cccc(C[S@](C)=O)c1)c1ccccc1 194158365 XTUXQCOKLLBHJP-VLIAUNLRSA-N 287.428 3.781 0 40 CHAB C[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1N 95097490 BJQNTSVVPCXJNU-ZDUSSCGKSA-N 279.387 3.643 0 40 CHAB CC(=O)N(C)c1cccc(N[C@@H]2CCc3ccccc32)c1 97231975 HLHDOGRZYVSAEE-GOSISDBHSA-N 280.371 3.769 0 40 CHAB c1ccc2c(c1)CCN2Cc1cccc2cccnc12 14901483 DMPNURHPOPBZLP-UHFFFAOYSA-N 260.340 3.798 0 40 CHAB COC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)n[nH]1 83181075 VIARYSBCVANMEX-UHFFFAOYSA-N 294.310 3.656 0 40 CHAB O=C(O)/C=C/c1cc(C(F)(F)F)cc(Cl)c1F 2382044 DJCGKKOBATYOTR-OWOJBTEDSA-N 268.593 3.596 0 40 CHAB CCOC(=O)Cc1cc(Cl)c2ccc(Cl)cc2n1 5052143 XYWBQFQMURWFLT-UHFFFAOYSA-N 284.142 3.647 0 40 CHAB COC(=O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C 5105397 ZARSCFPHBAVOKJ-SMTWKSNJSA-N 250.382 3.648 0 40 CHAB Cc1cc(-c2cnc(N3CCCCC3)nc2C(C)C)on1 12186861 YXBKNZISRVEBBF-UHFFFAOYSA-N 286.379 3.554 0 40 CHAB Nc1cncc2ncc(-c3ccc(Cl)c(Cl)c3)nc12 13285053 MCBUSINBWJXARU-UHFFFAOYSA-N 291.141 3.581 0 40 CHAB Cc1ccccc1NC(=O)COc1ccc(F)cc1Cl 14075356 XKYGZLUTDIINSB-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB Clc1cnc(I)c2ccsc12 19721570 YXCLTKRDDJEYMZ-UHFFFAOYSA-N 295.532 3.554 0 40 CHAB CCN(CC)CCC(=O)c1ccc(OC)c2ccccc12 1628198 MNLZCBCLCDEQHW-UHFFFAOYSA-N 285.387 3.763 0 40 CHAB Cc1ccc(NC(=O)CN2CCCc3ccccc32)cc1C 2636665 DVMYMLJVLNMSEW-UHFFFAOYSA-N 294.398 3.695 0 40 CHAB Cc1ccc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)o1 28925563 TZQNBPKFAINPPB-ZDUSSCGKSA-N 298.386 3.787 0 40 CHAB COc1ccc(NC(=O)c2ccccc2C)cc1Cl 5549092 VXPGUQAFEFAEII-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB O=C1C[C@@H](c2ccccc2Cl)c2sccc2N1 12375447 OHSIITABHQCGCB-VIFPVBQESA-N 263.749 3.876 0 40 CHAB CC(C)(C)c1ccc(/C=C2\SC(=O)N=C2N)cc1 12732450 IMMDJSCWQOYORX-FLIBITNWSA-N 260.362 3.549 0 40 CHAB Brc1ccc2nc(-c3cccs3)cn2c1 98285 FLJGFEFJCWFDNJ-UHFFFAOYSA-N 279.162 3.825 0 40 CHAB Oc1ccc(CCN[C@@H]2CCCCc3ccccc32)cc1 40735191 XEWOPIGJQTVFRY-LJQANCHMSA-N 281.399 3.992 0 40 CHAB COc1ccc(CNc2cc(C(=O)O)ccc2Cl)cc1 20881276 ZJHIWFZVJGEIJV-UHFFFAOYSA-N 291.734 3.659 0 40 CHAB O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccccc2)o1 2663436 AHXPXYZKYKABPJ-UHFFFAOYSA-N 298.277 3.520 0 40 CHAB CC(=O)c1cccc(NC(=O)OC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 4771244 ATBXXGYSMIORHO-SNPRPXQTSA-N 285.343 3.650 0 40 CHAB CCNCc1ccccc1OCc1ccc(F)cc1 6497344 KTSZZWSOZYCIPV-UHFFFAOYSA-N 259.324 3.514 0 40 CHAB O=C1N/C(=C/c2nc3ccccc3s2)c2ccccc21 6576021 OTPPLCSGGYKMAA-UKTHLTGXSA-N 278.336 3.538 0 40 CHAB Cc1ccc(OCC(=O)Nc2cccc(OC(C)C)c2)cc1 10715435 CGTUJLQHKVDCNS-UHFFFAOYSA-N 299.370 3.800 0 40 CHAB Cc1[nH]c2ccccc2c(=O)c1SC(F)(F)C(F)F 521725 QPFUJMUEWWXYSN-UHFFFAOYSA-N 291.269 3.787 0 40 CHAB CCSc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 8480204 KCUBVSXBUKTQJA-OUCADQQQSA-N 275.417 3.717 0 40 CHAB CC(C)c1ccccc1NCc1ccc(C(=O)O)o1 8702192 ITFQXPVEFKJSLU-UHFFFAOYSA-N 259.305 3.713 0 40 CHAB CC(=O)c1cccc(NC(=O)N(C)[C@H](C)C(C)(C)C)c1 41638947 NBMHNGCTUUHNON-GFCCVEGCSA-N 276.380 3.788 0 40 CHAB CCN(CC)c1cccc(OC(=O)/C=C/c2ccco2)c1 3195451 GBFNYGOPPQPYCE-ZHACJKMWSA-N 285.343 3.745 0 40 CHAB CCCc1nc2ccccc2n1C[C@H](O)c1ccccc1 12525332 KTGZWALDWWHUDM-KRWDZBQOSA-N 280.371 3.722 0 40 CHAB Cc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2ccccc12 12508027 TYDFMELDUQFLME-UHFFFAOYSA-N 291.310 3.870 0 40 CHAB c1ccc2c(c1)C[C@@H](CNCc1csc3ccccc13)O2 47848622 ZLHJVPIQJYYSEJ-HNNXBMFYSA-N 295.407 3.995 0 40 CHAB C[C@H](c1ccccc1)N(C)Cc1nc(O)c2sccc2n1 35306338 KVXQGWAVRGHOLJ-LLVKDONJSA-N 299.399 3.590 0 40 CHAB Cc1cc(C)c2c(c1)N[P@@](=O)(c1ccccc1)N2 100248522 QWMDIBRGQGPOAA-SFHVURJKSA-N 258.261 3.659 0 40 CHAB Cc1ccc(C(=O)c2ccccc2C(F)(F)F)nc1 45028531 DOLYYBSAUMZPKF-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB CCC(=O)Nc1cc(NC(=O)C2CCCCC2)ccc1C 36567074 JKYRYBAXKQUVAL-UHFFFAOYSA-N 288.391 3.862 0 40 CHAB COc1ccc(C(=O)Nc2c(C)cccc2C)c(F)c1 12891796 VATXKHXYGBYAME-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB CCN(Cc1c(C)noc1C)[C@@H](C)c1cccc(OC)c1 45806158 VSPJCTZJRGJSNR-ZDUSSCGKSA-N 288.391 3.883 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)Nc2ccccc2C)n1 3413773 HCRFZJJBOMSOFO-NSHDSACASA-N 292.429 3.879 0 40 CHAB Cc1cccc(NC(=O)C[C@@H](C)c2ccc(F)cc2)n1 48782801 NMPROXSDVSTPHZ-LLVKDONJSA-N 272.323 3.661 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1c(F)cccc1Cl 13017004 AXKGMGVFNDIWDB-AWEZNQCLSA-N 289.737 3.896 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2cccnc2)c(C)c1 13331954 ABGSXQIXTHXDQX-ZDUSSCGKSA-N 269.348 3.581 0 40 CHAB CSc1nc(C)c2c(n1)N(c1cccc(C)c1)CC2 4052026 JWVIJFGABQNYIO-UHFFFAOYSA-N 271.389 3.510 0 40 CHAB CCCCc1cc(=O)oc2c(C)c(O)c(-c3cc[nH]n3)cc12 13684274 YMVLCANHMSAGJI-UHFFFAOYSA-N 298.342 3.540 0 40 CHAB CC(C)C[C@H](N)c1nnc(SCc2ccc(F)cc2)o1 5099877 BTEPPEWYRWAQPZ-LBPRGKRZSA-N 295.383 3.547 0 40 CHAB CCOc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 5027030 RAJGVAOSBKCVQU-UHFFFAOYSA-N 294.354 3.539 0 40 CHAB Cc1cc(Nc2cccc(Cl)n2)n(-c2ccccc2)n1 6566583 GABZKMUODFMLPV-UHFFFAOYSA-N 284.750 3.973 0 40 CHAB Cc1nc2c(C)cccc2c(Cl)c1CCC(=O)O 4677372 PDLOLCUYLHTJIR-UHFFFAOYSA-N 263.724 3.522 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2)o1 16705361 QZHMVMJANOZTRA-GPJUQDOMSA-N 281.355 3.733 0 40 CHAB Cc1occc1-c1nnc2sc(/C=C/c3ccco3)nn12 17172985 GBIKZSXVSDKGNI-SNAWJCMRSA-N 298.327 3.518 0 40 CHAB CCn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc21 17252300 MUMVYPHRWGFIIZ-UHFFFAOYSA-N 296.374 3.589 0 40 CHAB C[C@@H]1C[C@@H](C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)CCC1=O 95461508 RLYIJPZIICZOPK-DHMWGJHJSA-N 290.403 3.527 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)c1ccccc1 39155606 XPNLXLJSAOATSK-AWEZNQCLSA-N 289.375 3.659 0 40 CHAB Cc1cc([C@@H]2CCCN2Cc2ccccc2)ccn1 72219447 XLRWYEXAQQCLGG-KRWDZBQOSA-N 252.361 3.727 0 40 CHAB O=C(O)c1cn[nH]c1-c1ccc(Oc2ccccc2)cc1 71630787 AQHZPWDDTYWQTG-UHFFFAOYSA-N 280.283 3.567 0 40 CHAB Cc1cc(C(=O)Nc2cccnc2-c2csc(C)c2)on1 186897278 ZNYPFAZQIMBFML-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CN(Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1 31912053 GPPOVAQIFWICMY-INIZCTEOSA-N 275.779 3.505 0 40 CHAB c1cnc(NC2CCCCC2)c(C2=NCCCC2)c1 72214029 WCGZCQPFFIOTLE-UHFFFAOYSA-N 257.381 3.799 0 40 CHAB Cc1ccc(C[C@H](Oc2ccccc2)C(=O)O)cc1Cl 225079126 VPYHFYLZWNVOCA-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB Fc1cccc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)c1 40164168 UIDNKURCQUFEER-UHFFFAOYSA-N 273.698 3.931 0 40 CHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)c(C)c1 225739665 PIJQHEFFJMDPFM-KRWDZBQOSA-N 293.407 3.928 0 40 CHAB CC[C@H](C(=O)O)N1c2ccc(F)cc2C(C)=CC1(C)C 223196879 ANCKKHQMAUROJO-CYBMUJFWSA-N 277.339 3.691 0 40 CHAB O=Cc1ncc(-c2ccccc2C(F)(F)F)s1 199791258 PZTDJAYYYABBAQ-UHFFFAOYSA-N 257.236 3.641 0 40 CHAB CC[C@@H](C)c1ccc(O[C@H]2CCCNC2)c(Cl)c1 42775045 RDXNLUDUYXGEEU-YPMHNXCESA-N 267.800 3.984 0 40 CHAB Cc1cccc2c(C=O)cn(C(=O)OCc3ccccc3)c12 199813581 KSJAKWXLBVNDAE-UHFFFAOYSA-N 293.322 3.947 0 40 CHAB O=C(Nc1ccccc1SC(F)F)c1ccncc1 14603300 BZXVUCJOTBYAFT-UHFFFAOYSA-N 280.299 3.649 0 40 CHAB CCc1nc(NCc2ccccc2OC)sc1C 48344229 KFJAEYQOKZDYGK-UHFFFAOYSA-N 262.378 3.635 0 40 CHAB Cc1nc(-c2ccccc2)n(C/C=C/c2ccccc2)n1 60374537 OYBXVUUJYPMXPZ-DHZHZOJOSA-N 275.355 3.967 0 40 CHAB FC1(F)CCN(c2nccc3sccc23)CC1 795275102 VZKRIHNUUJOHNM-UHFFFAOYSA-N 254.305 3.532 0 40 CHAB Cc1cccc(NCc2nc(-c3ccsc3)no2)c1 40473145 HKUDEJNFVGJABB-UHFFFAOYSA-N 271.345 3.719 0 40 CHAB O=C(O)[C@@H]1/C(=C\c2ccccc2)[C@@H]1c1ccccc1 17430423 DDQINRMAUKWYHO-HICXADOFSA-N 250.297 3.568 0 40 CHAB Cc1ncc(C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1 19936963 SXDXRCHZLAWZEW-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(F)cc1 7304249 OBZNEMIIUPJWRE-CNELAYHGSA-N 299.345 3.725 0 40 CHAB CCc1ncnc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)c1F 1776001991 XHJOVDRBCDOYDF-KBPBESRZSA-N 287.382 3.790 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20493110 FIYDSMXTKLVZQX-UONOGXRCSA-N 277.408 3.882 0 40 CHAB CC(=O)Nc1nc2c(Cl)cc(Cl)cc2s1 2713876 ZLDQQJACXAADHP-UHFFFAOYSA-N 261.133 3.562 0 40 CHAB Cc1ccc(-c2cc(COC(=O)C3CCCC3)no2)cc1 11025861 CZZGFTNWWGAPRK-UHFFFAOYSA-N 285.343 3.883 0 40 CHAB COC(=O)CCC(=O)c1cc(Cl)cc(Cl)c1Cl 575361539 PYESLJLEYSQIII-UHFFFAOYSA-N 295.549 3.783 0 40 CHAB C[C@@H](NC(=O)C1CCC1)c1ccc(C(F)(F)F)cc1 40071851 VNOOGLNIOBFSDA-SECBINFHSA-N 271.282 3.683 0 40 CHAB O=c1c2oc3ccccc3c2[nH]c(=S)n1C1CCCC1 100020950 PNVQOTFDQILMPO-UHFFFAOYSA-N 286.356 3.920 0 40 CHAB Cn1ncc2c(C(F)F)cc(-c3cccs3)nc21 20603031 AIXWQAJDNPTMBL-UHFFFAOYSA-N 265.288 3.634 0 40 CHAB CC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 281531 FFNQBCWXGWQYOV-ZJUUUORDSA-N 271.813 3.735 0 40 CHAB COc1cc2ccccc2[n+](C)c1-c1ccccc1Cl 1724668 POYUHYPZSJHSIG-UHFFFAOYSA-N 284.766 3.993 0 40 CHAB Cc1ccsc1C(=O)NCC1(c2ccccc2)CCC1 32882341 QLEQQGUDALFJSM-UHFFFAOYSA-N 285.412 3.908 0 40 CHAB O=C(NCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 3391951 GCRWXBOEDUGIQK-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB CC(C)c1ccc(-c2nc(C(=O)N3CCC3)cs2)cc1 32817933 RJAYNALGBQPWQY-UHFFFAOYSA-N 286.400 3.779 0 40 CHAB CN1c2ccccc2C=C[C@@H]1C(Cl)(Cl)Cl 481498 SMDHWZUYYVGBDL-SNVBAGLBSA-N 262.567 3.888 0 40 CHAB CCOc1ccc(NC(=O)COc2ccc(CC)cc2)cc1 483613 KBABQECMUZLJID-UHFFFAOYSA-N 299.370 3.665 0 40 CHAB Cc1nc(Nc2cccc(Cl)c2)sc1C(=O)O 873558 UTWVBJXJLDVSEH-UHFFFAOYSA-N 268.725 3.547 0 40 CHAB CCCCNC(=O)c1cc(C(C)C)nc2ccccc12 22990790 JMLQNHJPWPZKDY-UHFFFAOYSA-N 270.376 3.888 0 40 CHAB C[C@H](NC(=O)c1ccccc1)c1ccc2c(c1)CCC2 53387430 QGLOIDLXDSJWOR-ZDUSSCGKSA-N 265.356 3.666 0 40 CHAB CC(C)[C@H](NC1CCN(C(C)C)CC1)c1ccccc1 35016052 KZZMDQKXUATUBB-SFHVURJKSA-N 274.452 3.846 0 40 CHAB Cc1cccc(NCC(=O)Nc2cccc(C)c2C)c1C 3376886 VMBKWMXOXXGBLN-UHFFFAOYSA-N 282.387 3.971 0 40 CHAB Cc1ccoc1C(=O)N[C@H]1CCSc2ccccc21 24281936 DQTUMILGUHPFIX-LBPRGKRZSA-N 273.357 3.555 0 40 CHAB CC[C@H](C)C(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C 12855579 CVLXCKGVQHZMNI-UONOGXRCSA-N 299.418 3.712 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2F)CC1 306145177 APZGIGXJNMJTLN-NSHDSACASA-N 257.349 3.526 0 40 CHAB Cc1cc(C(F)(F)F)c2c(C)c(C(=O)O)sc2n1 3888721 LNZIYUHBIAJPDP-UHFFFAOYSA-N 275.251 3.630 0 40 CHAB COc1ccc(-c2noc(N)c2-c2ccccc2)cc1 26512473 QAYPTGKLGWZNRT-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB COc1ccc2cc(C(=O)Nc3ccc(F)cc3)[nH]c2c1 5244520 GXLRNPYRUZPIDS-UHFFFAOYSA-N 284.290 3.568 0 40 CHAB COc1cc(SC)ccc1C(=O)Nc1ccccc1C 4616483 RVKRSTCALXQVPI-UHFFFAOYSA-N 287.384 3.978 0 40 CHAB Cc1cccc(NC(=S)N[C@@H]2CCCC[C@H]2C)c1 5689553 ZLFLSCGLBHIOKM-TZMCWYRMSA-N 262.422 3.860 0 40 CHAB O=C(Nc1ccc(F)cc1F)C(F)(F)Oc1ccccc1 5684191 GBUBZJAJFBCVFF-UHFFFAOYSA-N 299.223 3.575 0 40 CHAB COc1ccc(CC(=O)Nc2ccccc2SC)cc1 6882287 ONLYLMRYMZUYBH-UHFFFAOYSA-N 287.384 3.598 0 40 CHAB CCCCCC(=O)Nc1c(C)ccc2nsnc12 5951065 BAFGXAFMZLCBJC-UHFFFAOYSA-N 263.366 3.519 0 40 CHAB C[C@@H](NC(=O)Cc1ccccc1F)c1cccc(Cl)c1 7597664 JHTQZUXFLGSMSJ-LLVKDONJSA-N 291.753 3.899 0 40 CHAB CC(C)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2o1 17056567 TVEZUKAQDBIJHX-VIFPVBQESA-N 265.740 3.861 0 40 CHAB CC(C)Cc1nc(C(=O)O)c(-c2ccccc2)s1 83448819 SBAPGCNXQPQPHV-UHFFFAOYSA-N 261.346 3.707 0 40 CHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1c1ccsc1 71835006 HNAIMGKAOSKTJL-BFHYXJOUSA-N 287.384 3.808 0 40 CHAB Cc1nnc(CN[C@H](CC2CCC2)c2ccccc2)s1 95994279 HFDOLSBWKZJSQO-OAHLLOKOSA-N 287.432 3.868 0 40 CHAB CCn1ccnc1CNc1ncc(-c2ccccc2)s1 95990268 YVRGDHTWDIMFPE-UHFFFAOYSA-N 284.388 3.639 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 68755592 BFSQAYZLLKQFKF-OLZOCXBDSA-N 285.387 3.867 0 40 CHAB CCCN(CCC)c1ccc(C(=O)c2ccccc2)cn1 72225276 KNCIGCCHQYOIMN-UHFFFAOYSA-N 282.387 3.939 0 40 CHAB O=C(c1cc(F)ccc1F)C(Cl)(Cl)Cl 306685827 FGULHWVSRKUGSK-UHFFFAOYSA-N 259.466 3.518 0 40 CHAB ONc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32593773 MPVAGPKCVBXZNV-UHFFFAOYSA-N 287.706 3.858 0 40 CHAB O[C@H](c1ccccc1)[C@@H](Nc1ccccn1)c1ccccc1 31672785 CMOPYVABRRLFCM-RBUKOAKNSA-N 290.366 3.968 0 40 CHAB c1cncc(CNCc2ccc(OC3CCCC3)cc2)c1 32128470 FKTHQMOTAGYZBB-UHFFFAOYSA-N 282.387 3.693 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccccc1F 45671283 LJLRHDPQUVTREN-AWEZNQCLSA-N 285.362 3.506 0 40 CHAB Fc1cccc(F)c1-c1noc(-c2ccnc(Cl)c2)n1 89262834 ZJEOFVRPKRJVOA-UHFFFAOYSA-N 293.660 3.730 0 40 CHAB Cc1cc(C)c(OCC[C@H]2CCCNC2)c(Cl)c1 42770726 DXCQMOKWFCUHKT-CYBMUJFWSA-N 267.800 3.725 0 40 CHAB Cc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1Cl 226274274 SYWWGIYDSMOBHA-LLVKDONJSA-N 289.762 3.954 0 40 CHAB Cc1nc(C[S@@](=O)CCCC2CCCC2)cs1 195579385 WPFZWRJRBOJPKB-KRWDZBQOSA-N 271.451 3.671 0 40 CHAB CCc1ccc(CC(=O)NCCC2=CCCCC2)cc1 223598547 HXAFUEZOTGBUJF-UHFFFAOYSA-N 271.404 3.798 0 40 CHAB FC(F)(F)[C@H](Cc1ccncc1)NC[C@H]1CC=CCC1 96476729 JTXOERXOJMBTDM-KBPBESRZSA-N 284.325 3.501 0 40 CHAB CCN(c1ccc(Oc2ccccc2)cc1)[C@H](C)C(=O)O 260677604 IYXZYDHDZTZMHX-CYBMUJFWSA-N 285.343 3.778 0 40 CHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)c1cc(F)cc(Cl)c1 95634024 ICEBSQUWNPBYCO-NEPJUHHUSA-N 284.714 3.553 0 40 CHAB O=C(CC1CCCC1)NCc1cncc(-c2ccco2)c1 575609373 WZBFYNNBKKJCAM-UHFFFAOYSA-N 284.359 3.538 0 40 CHAB Cc1nc(C)c(CN2CCC(C(F)(F)F)CC2)s1 75996499 VWWQUFXYUQBSTL-UHFFFAOYSA-N 278.343 3.534 0 40 CHAB Cc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1 483484 OYMYPUTVEZWFAQ-ZHACJKMWSA-N 277.367 3.593 0 40 CHAB Cc1cc(C)[n+](Cc2cccc(Br)c2)c(C)c1 1857787633 PWFUYRJUWABSRX-UHFFFAOYSA-N 291.212 3.710 0 40 CHAB Cc1ccc(C(=O)NCCSc2ccccc2)cc1C 15136563 DKMCMZABCXMCLQ-UHFFFAOYSA-N 285.412 3.826 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(C)c1 15472059 FUTFPBAIJREMQS-CQSZACIVSA-N 283.371 3.803 0 40 CHAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccncc2)cc1 5383815 XQIXPXOGLMVHGG-RMKNXTFCSA-N 294.398 3.709 0 40 CHAB c1ccc(CN2CCC3(CC2)COc2ccccc23)cc1 95093226 WQHRCKVLCZIFMR-UHFFFAOYSA-N 279.383 3.613 0 40 CHAB CCCC[C@H](CC)C(=O)c1ccc(C(=O)OCC)o1 575361959 VODCDPSEKPJUAE-NSHDSACASA-N 266.337 3.855 0 40 CHAB Cc1cc(C(=O)N(C)C(C2CC2)C2CC2)c2ccccc2n1 50401793 LXICSNVKMDZMFZ-UHFFFAOYSA-N 294.398 3.804 0 40 CHAB CCOc1ccc(C(=O)N2CCCc3ccccc32)cc1 123293 JIPJJWBTIIAWHB-UHFFFAOYSA-N 281.355 3.678 0 40 CHAB O=C(NCC1(c2ccccc2)CCCC1)c1ccoc1 11837833 XCCJLQPMWOBQTN-UHFFFAOYSA-N 269.344 3.521 0 40 CHAB Cc1nc(-c2ccccc2)cn2c1nc1ccccc12 481244 OZEPKGBSALEXRT-UHFFFAOYSA-N 259.312 3.858 0 40 CHAB CNC(=O)O[C@H](C)CN(c1ccccc1)c1ccccc1 1698075 ZHCVFYNZABEGLU-CQSZACIVSA-N 284.359 3.569 0 40 CHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(Cl)nc2)C1 102245166 UTZOUCQCLWPGID-BLLLJJGKSA-N 292.810 3.776 0 40 CHAB COc1ccc([C@@H]2CCCN2C(=O)C2CCCC2)cc1 32819528 IGLALDVRNOAPCK-INIZCTEOSA-N 273.376 3.549 0 40 CHAB O=C1[C@H]2CC=CC[C@@H]2[C@H]2c3[nH]c4ccccc4c3CCCN12 4024631 XUWVWNMIJTWBHD-MPGHIAIKSA-N 292.382 3.580 0 40 CHAB O=C(O)c1ccc2sc(-c3ccccc3)nc2c1 33420403 TYWPDVVKWKYPFW-UHFFFAOYSA-N 255.298 3.662 0 40 CHAB CC(C)CCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 12545903 LPCSISOMVNZQNT-UHFFFAOYSA-N 297.402 3.615 0 40 CHAB COc1ccccc1C(=O)N[C@H]1CCCc2ccccc21 3334534 ZVLHNVLZKPKKKG-INIZCTEOSA-N 281.355 3.503 0 40 CHAB C[C@@H](Nc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 28907028 XMADZPHMJXDDSR-CYBMUJFWSA-N 290.382 3.633 0 40 CHAB Cc1ccc(C)n1[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 48355710 LFFSZNDMDOKLKO-CZUORRHYSA-N 284.403 3.586 0 40 CHAB Cc1ccc(C(=O)Nc2ccc([C@@H]3CC=NO3)cc2)cc1 12854864 JKZFCLVZUYMDSN-INIZCTEOSA-N 280.327 3.695 0 40 CHAB Cc1noc(C)c1CCC(=O)N[C@H](CC(C)C)C(C)(C)C 71915250 XVUACPSKNVRXBF-OAHLLOKOSA-N 294.439 3.801 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)C1C[C@@H]2CCC[C@H](C1)C2=O 14077034 QHXZDLMUGHSBMK-XYPWUTKMSA-N 297.398 3.509 0 40 CHAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2N 118930990 OMKYOYBEVIPBMI-MFXFBURESA-N 291.479 3.717 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccnc(Cl)c2)c1 19813441 MVPLDDPGBYNAIP-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB Cc1ccc(NC(=O)c2ccc3nccnc3c2)c(Cl)c1 9514510 HQJIFAFBBRWOQW-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB CSc1ccc([C@@H](C)NCc2cccnc2)cc1F 95967084 YVCQDNKZKHDUTQ-LLVKDONJSA-N 276.380 3.793 0 40 CHAB CC(C)n1cnnc1S[C@H](C)c1nc2ccccc2o1 95993749 JEZQPTNXBRAAKQ-SNVBAGLBSA-N 288.376 3.854 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@]21CCN1 306145940 WRYQNGHIXJEBSC-QGZVFWFLSA-N 288.391 3.559 0 40 CHAB c1ccc(CNCC[C@@H]2CSc3ccccc3O2)cc1 521398115 GKJKQKYHIOBFPD-OAHLLOKOSA-N 285.412 3.720 0 40 CHAB FC(F)(F)c1ccc(C2(CNC3CCOCC3)CC2)cc1 186508083 QKEFJSYGUPIONC-UHFFFAOYSA-N 299.336 3.506 0 40 CHAB Clc1cc(Br)ccc1[C@@H]1CCCN1 37366857 YHDGUUIWUXQBQS-JTQLQIEISA-N 260.562 3.527 0 40 CHAB CCc1cc(C)n(Cc2ccc(Cl)cc2)c1C=O 78405191 DXWAYFMFIIJCLT-UHFFFAOYSA-N 261.752 3.873 0 40 CHAB CCCCCNC(=O)c1ccc2c(c1)nc(Cl)n2CC 225987163 CJUXKGOWFXESGO-UHFFFAOYSA-N 293.798 3.630 0 40 CHAB c1ccc(OCC2=NCc3ccccc3-n3cccc32)cc1 225372788 YBVNCNXNTNTDAG-UHFFFAOYSA-N 288.350 3.859 0 40 CHAB Cc1ccnc(Oc2ccc(Cl)c3cccnc23)n1 89701913 MRQRTANCMXRNEH-UHFFFAOYSA-N 271.707 3.779 0 40 CHAB CCN(C(=O)N1CCC(OC2CCCCC2)CC1)C(C)C 97377823 IZGPWLYEWSJQHA-UHFFFAOYSA-N 296.455 3.650 0 40 CHAB C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)cc2)CCC[C@H]1C 245224656 AQCQZZGFOSBOFH-SUNKGSAMSA-N 264.344 3.772 0 40 CHAB Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 43999 ITBGYJSOXCVTRY-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB CC(=O)Nc1ccc(NC(=O)/C(C)=C\c2ccccc2)cc1 286640 OBYJTAPKUODBEZ-SEYXRHQNSA-N 294.354 3.687 0 40 CHAB C[C@@H]1CNC[C@@H](c2ccc(Cl)c3ncccc23)C1 1772715122 DBXGCVDZFJETTD-QWRGUYRKSA-N 260.768 3.601 0 40 CHAB CC(=O)OC[C@]12COC(=C(C)C)[C@H](C(C)=C[C@@H]1C)[C@H]2C 12657896 XPUXDIZNNJHBTE-SHFYGJNESA-N 278.392 3.708 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCCC1 12802294 QTUWFJOMDRPACJ-UHFFFAOYSA-N 286.400 3.745 0 40 CHAB CC[n+]1c(C)n(Cc2ccccc2)c2ccc(Cl)cc21 15962414 MORXZDKUZFIOQS-UHFFFAOYSA-N 285.798 3.959 0 40 CHAB CCOC(=O)C[C@@H](C)c1ccc(Br)cc1 157525256 TUBWKXUHZGWKFF-SECBINFHSA-N 271.154 3.506 0 40 CHAB FC1(F)CCN(c2ncnc3ccc(Cl)cc23)CC1 1888869497 HUQILHFHGSISSC-UHFFFAOYSA-N 283.709 3.519 0 40 CHAB c1ccc(-n2cc(CNc3nc4ccccc4o3)cn2)cc1 25249779 SKULHRPESQGCDS-UHFFFAOYSA-N 290.326 3.626 0 40 CHAB CC[C@@H](C)Oc1ccc(CNCC(C)C)cc1OC 62731849 QALXGSIJWSKBGF-CYBMUJFWSA-N 265.397 3.618 0 40 CHAB Cc1cc(C(=O)OCc2cc(-c3ccco3)on2)c(C)o1 8373132 OFWRYKQZVIFMEI-UHFFFAOYSA-N 287.271 3.501 0 40 CHAB O=C(Nc1ccccc1-c1cn2ccccc2n1)C1CCC1 206899212 STUNXQASOPWKAV-UHFFFAOYSA-N 291.354 3.740 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)c1n[nH]c2ccccc12 5270007 RTLRHCOQFHBPNZ-UHFFFAOYSA-N 289.697 3.608 0 40 CHAB C[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2)C1 40095211 FLBHZWZQNZKWHD-SNVBAGLBSA-N 297.196 3.713 0 40 CHAB CCCC(=O)/N=c1\sc2ccccc2n1-c1ccccc1 100510640 JBBGNFHXPJEGFY-ZCXUNETKSA-N 296.395 3.919 0 40 CHAB COc1ccccc1Sc1ccccc1C[C@@H](C)N 347792 IZCVLFKUXSXJLR-GFCCVEGCSA-N 273.401 3.736 0 40 CHAB Cc1noc(C)c1CN(C)[C@@H](C)c1cc(F)ccc1F 52075236 YTDHHXAFSRQOMF-JTQLQIEISA-N 280.318 3.763 0 40 CHAB CC1(C)Oc2ccccc2[C@]1(O)c1ccc2ccccc2n1 48808 VMVOHCXJMWLUFC-IBGZPJMESA-N 291.350 3.642 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 401445 NVKAWKQGWWIWPM-MOVWYJJTSA-N 290.447 3.959 0 40 CHAB biogenic,in-vitro CCN(CC)C(=O)CSc1nc2ccccc2cc1C 411124 GWOVOXSBIVFTLJ-UHFFFAOYSA-N 288.416 3.504 0 40 CHAB COc1ccc(CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102377073 MNGASJXVAKILMO-DYWXZXKOSA-N 259.393 3.610 0 40 CHAB CCCCC[C@H](C(=O)O)[C@H](C)CC(=O)NC1CCCCC1 2227721 DDWWBWGWCOFFDU-HIFRSBDPSA-N 297.439 3.743 0 40 CHAB CCN1C(=O)c2cccc3c(Br)ccc1c23 3193254 KHABYXGVKDDLGT-UHFFFAOYSA-N 276.133 3.582 0 40 CHAB Cc1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1Cl 102592877 DOGDBBHAXPJGES-ZWKOPEQDSA-N 291.778 3.574 0 40 CHAB Cc1nn(C)c(C)c1C(=O)Nc1c(Cl)cccc1Cl 28236898 MIAVPQZBPUKAEG-UHFFFAOYSA-N 298.173 3.596 0 40 CHAB CCOC[C@H](C)Nc1ccc(-c2nccs2)cc1 97084202 GBUIGLBKVGLHCB-NSHDSACASA-N 262.378 3.647 0 40 CHAB On1c(-c2ccc(Cl)cc2Cl)nc2ncccc21 1400229 STFIHXNALHEXSO-UHFFFAOYSA-N 280.114 3.642 0 40 CHAB Cc1[nH]ccc(=O)c1Cc1c(Cl)cccc1Cl 1403544 ATYBYNDJBFVIJY-UHFFFAOYSA-N 268.143 3.581 0 40 CHAB Cc1ncccc1C(=O)Nc1c(C)noc1-c1ccccc1 97141261 XDRQENRFQDYPGJ-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB Cc1nnc([C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)o1 97111913 JMRABMWVCWFGKU-WDEREUQCSA-N 285.347 3.844 0 40 CHAB CC(C)(C)c1c[n+](-c2ccccc2)c2n1CCCS2 3229499 GDMDUGPNHXKXAD-UHFFFAOYSA-N 273.425 3.558 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(OCC(C)C)cc2)cc1 3345946 SMWWTHMIIPGPAI-UHFFFAOYSA-N 297.398 3.960 0 40 CHAB Cc1cccc(NC(=S)Nc2ccc(O)cc2)c1C 3335465 FTHWKORWBWEZGD-UHFFFAOYSA-N 272.373 3.818 0 40 CHAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1 28781056 HDYCKLOKTKQXHR-CYBMUJFWSA-N 282.387 3.870 0 40 CHAB Fc1ccc(-c2nc(Cl)nn2-c2ccccc2)cc1 22125642 KRNQVANVRRGDPD-UHFFFAOYSA-N 273.698 3.727 0 40 CHAB O=c1c2c3c(sc2[nH]c(=S)n1C1CCCC1)CCC3 6279539 ODFQUDWKTRJFQT-UHFFFAOYSA-N 292.429 3.724 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C)c(C)c2)c(O)c1 6454163 CCLDOJIIJJEWLX-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB COc1ccc(CCNC[C@H](C)c2ccccc2)cc1 6558911 NFKCMKGPQFAQSP-HNNXBMFYSA-N 269.388 3.631 0 40 CHAB Cc1ccc2oc(C(=O)Nc3ccccc3C)cc(=O)c2c1 6811200 AHCUTXLMXAVCCV-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB COc1ccc(NC(=O)[C@H](C)Nc2cc(C)cc(C)c2)cc1 7460332 YDGVTRRKJRTSNV-AWEZNQCLSA-N 298.386 3.751 0 40 CHAB CCCOc1ccccc1C(=O)Nc1cc(N)ccc1C 19736117 KASXEDGECKCGFV-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB CC(C)CO[C@H]1C[C@H](OC(=O)c2ccccc2F)C1(C)C 84544351 AWIRHGANWZPAOK-GJZGRUSLSA-N 294.366 3.822 0 40 CHAB CCN(C(=O)c1cccc2ccccc12)c1ccncc1 98010367 NXQHZPMAIGTUMB-UHFFFAOYSA-N 276.339 3.902 0 40 CHAB CNC[C@@H](OC(C)C)c1ccc(Cl)c(Cl)c1 62711716 BDLZMVNVCWLPPD-GFCCVEGCSA-N 262.180 3.679 0 40 CHAB Cc1cc(SCc2ccccc2)ncc1[C@H](C)N 72223455 OBCKLXYFAORBQI-LBPRGKRZSA-N 258.390 3.702 0 40 CHAB COc1ccc(C(=O)c2ccccc2Cl)cc1F 35423897 OKZUTSCBEUXWFN-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CO[C@@H](C)c1cccc(NC(=O)N[C@H](C)CCSC)c1 77441843 DSGFKBQUPXAGCH-NEPJUHHUSA-N 296.436 3.657 0 40 CHAB O=C(NC1CCCCCC1)c1cn[nH]c1-c1cccs1 72329437 QWICAHRMFHOLIX-UHFFFAOYSA-N 289.404 3.591 0 40 CHAB Fc1c(F)c(OC(F)F)c(F)c(F)c1Br 47203306 JEYOJOWCZGSGSW-UHFFFAOYSA-N 294.976 3.607 0 40 CHAB CC(C)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 224662775 WEXSIMWMASSIPP-UHFFFAOYSA-N 289.400 3.635 0 40 CHAB CCCCO[C@@H](Cc1ccc(CCCC)cc1)C(=O)O 225130004 FEJGONUUXUIIGU-INIZCTEOSA-N 278.392 3.842 0 40 CHAB CC[C@@H](C)c1cc(Cl)ccc1O[C@H]1CCNC1 42775441 URZNKYWYDYHNAF-PWSUYJOCSA-N 253.773 3.594 0 40 CHAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1 225198868 OTIXEKFOENFERL-UHFFFAOYSA-N 281.355 3.583 0 40 CHAB Cc1cccc(O[C@@H](Cc2c(C)cc(C)cc2C)C(=O)O)c1 225135699 GRRHHEXEOSHISW-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CC[C@H]1CCCC[C@@H]1OC(=O)CSc1ccncc1 97039675 NVSUDNMRHYBVMB-JSGCOSHPSA-N 279.405 3.686 0 40 CHAB COc1ccc(-n2nc3sc4ccccc4c3n2)cc1 255186920 ABOHRKABJZEPFU-UHFFFAOYSA-N 281.340 3.644 0 40 CHAB C[C@@H](NCC1=CCCOC1)c1ccc2ccccc2c1 89905139 IJJCDVHNYZAXLG-CQSZACIVSA-N 267.372 3.837 0 40 CHAB CC(=O)OC1CSc2sc(=S)sc2SC1 5378695 WOEUINRMKVSJQU-UHFFFAOYSA-N 296.485 3.669 0 40 CHAB Cc1oc2ccccc2c1/C=C/c1cc[n+](C)cc1 5002280 GBQKGMQFFGXUAV-BQYQJAHWSA-N 250.321 3.736 0 40 CHAB O=c1oc2ccccc2cc1C1=NO[C@H](c2cccs2)C1 5604919 JKTNEUAWSVXTRI-AWEZNQCLSA-N 297.335 3.720 0 40 CHAB Cc1ccc(OCCCC(=O)N(C)c2ccccc2)cc1 13668755 OTWLVVBDOSZAHB-UHFFFAOYSA-N 283.371 3.817 0 40 CHAB CSc1cccc(NC(=O)c2cc(F)ccc2F)c1 22561348 IZKGSUKMGGZLHC-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB Cc1ccc(C)c(-c2nnc(NC(=O)c3cccs3)o2)c1 5169645 ZGXCIJVHUYWZNZ-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB O=C(c1ccnc(Cl)c1)N1CCCCc2ccccc21 40133913 ZZYMZYYWHUDCTL-UHFFFAOYSA-N 286.762 3.718 0 40 CHAB Cc1cccc(OCCN2CCC[C@@H](C(F)(F)F)C2)c1 40161839 UBYCYROMFMQQSQ-CYBMUJFWSA-N 287.325 3.648 0 40 CHAB COc1ccc(NC(=O)c2cccnc2Cl)cc1Cl 368214 DTKLKEKOCYNGIB-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)C1CCCCC1 383520 GJRAAYGRJHZOGX-UHFFFAOYSA-N 255.720 3.998 0 40 CHAB O=C1CS[C@H](c2cccs2)N1c1ccccc1 179927 BSVGMWCIZDSTDJ-CYBMUJFWSA-N 261.371 3.527 0 40 CHAB CC1(C)C(=O)[C@@]2(C(=O)Nc3ccccc3Cl)CC[C@@H]1C2 352939 ABSFGQHJOLDQGL-QLJPJBMISA-N 291.778 3.674 0 40 CHAB Cc1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 514098 PMSGRSOVXCCBEQ-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB C[C@H](NC(=O)c1ccoc1)c1cccc(Br)c1 32796163 MEZMHJFBGGCTIW-VIFPVBQESA-N 294.148 3.533 0 40 CHAB CCN(CC)CCn1c(C(C)(C)C)nc2ccccc21 1636916 IZJHSKBOIFMRER-UHFFFAOYSA-N 273.424 3.676 0 40 CHAB c1ccc2sc(Cc3ccc4c(c3)OCO4)nc2c1 1665938 BXRZTMWCXSTXDM-UHFFFAOYSA-N 269.325 3.616 0 40 CHAB C[C@H](CC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 1846221 FDRDUFLWFSLNFT-GFCCVEGCSA-N 268.312 3.647 0 40 CHAB in-man Cc1cc(NC(=O)c2cc(F)cc(F)c2)ccc1N(C)C 32818880 ISESHZZLIQEANJ-UHFFFAOYSA-N 290.313 3.592 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=S)NCc2ccc(F)cc2)[C@@H]1C 7351836 YFBJGYBZUDJHJR-LALPHHSUSA-N 294.439 3.615 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)OCCO2 513709 HOWPIRCGTITQBY-UHFFFAOYSA-N 297.354 3.581 0 40 CHAB Cc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 8869129 FNDJMNYZYGGZFD-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB Cc1ccc([C@@H](NC(=O)c2cc(C3CC3)on2)C2CC2)cc1 25582712 WOKMKUGIMKXAKF-QGZVFWFLSA-N 296.370 3.742 0 40 CHAB O=C(CCc1ccccc1Cl)NOCc1ccccc1 25039031 QOIVBEPTDKYKCT-UHFFFAOYSA-N 289.762 3.521 0 40 CHAB Cc1cccc(CN(CCC(=O)O)c2ccccc2C)c1 37595304 FELRQJHJVCLXGO-UHFFFAOYSA-N 283.371 3.785 0 40 CHAB COc1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 55008565 BYKSFFSOWJMRHF-IBGZPJMESA-N 290.366 3.679 0 40 CHAB c1ccc2sc(NCCc3cn4ccccc4n3)nc2c1 12579848 POLOHIBJDFOPFO-UHFFFAOYSA-N 294.383 3.599 0 40 CHAB CCCCSc1nc(COc2ccc(Cl)cc2)n[nH]1 57930211 VRNKEMKCONZLAS-UHFFFAOYSA-N 297.811 3.929 0 40 CHAB Cc1ccsc1C(=O)NC[C@H](C)c1ccccc1 23444852 INLSQUOXFZFZLE-LBPRGKRZSA-N 259.374 3.590 0 40 CHAB CCOC(=O)c1cc(C(C)C)cc(Cl)c1OC 57339284 LIMATIQGOCWWOO-UHFFFAOYSA-N 256.729 3.649 0 40 CHAB CCC(=O)NCCCCc1ccc(C(C)(C)C)cc1 36113546 XGCAGZXPZCDZSO-UHFFFAOYSA-N 261.409 3.833 0 40 CHAB Cc1cc(-c2ccc(Br)cc2F)ccn1 45028370 RDCSYNWPJDFGIQ-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB in-vitro CC[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12847004 NCFMGUGDNYWULI-NSHDSACASA-N 270.376 3.575 0 40 CHAB C[C@@H](Oc1ccc(C(N)=O)cc1)c1ccccc1Cl 12819965 FDIJOSXDOXALMI-SNVBAGLBSA-N 275.735 3.579 0 40 CHAB Cc1ccc(/C=C2\N=C(c3ccc(C)s3)OC2=O)s1 3569097 YAFMCUZJGLJMRH-XFFZJAGNSA-N 289.381 3.771 0 40 CHAB CC[C@H](C)n1ncc(Br)c1COCC(C)C 408715676 CJTKWCKFTUACSZ-JTQLQIEISA-N 289.217 3.789 0 40 CHAB C[C@H]1CCC[C@H](C)N1Cc1cn2ccc(Cl)cc2n1 6383301 RVOOYRHXMVJKKP-RYUDHWBXSA-N 277.799 3.751 0 40 CHAB CC(C)c1n[nH]c(S[C@@H](C)c2ccc(F)cc2)n1 9337588 LUCGZUQJGFEFAU-VIFPVBQESA-N 265.357 3.921 0 40 CHAB Clc1cccc(CN2CCc3ccccc3C2)c1 14217349 BAHWOFKBPSUJRL-UHFFFAOYSA-N 257.764 3.898 0 40 CHAB Cc1occc1C(=O)N[C@H](c1ccc(F)cc1)C(C)C 19312082 XFNGNTZBPJICKV-HNNXBMFYSA-N 275.323 3.854 0 40 CHAB COc1ccccc1NC(=O)c1cc2sccc2n1C 4971122 AEOZKUKWFQRNSE-UHFFFAOYSA-N 286.356 3.501 0 40 CHAB COc1ccc(NC(=O)[C@H](C)Nc2ccc(C)c(C)c2)cc1 7460237 HGODCUPOHVUTGL-AWEZNQCLSA-N 298.386 3.751 0 40 CHAB O=C(O)c1ccc(OCc2ccccc2F)c(Cl)c1 7603998 IPVIVARDWMBJKP-UHFFFAOYSA-N 280.682 3.756 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NC2CCCCCC2)c(C)c1 8041192 JGXMXNKKTLTBDB-HNNXBMFYSA-N 289.419 3.910 0 40 CHAB C[C@H]1c2cccn2CCN1C(=O)Nc1ccc(Cl)cc1 8036438 CIULGSKADOUBQZ-NSHDSACASA-N 289.766 3.750 0 40 CHAB O=c1[nH]nc(-c2cccc3ccccc23)c2ccccc12 16980218 KXFRSVCWEHBKQT-UHFFFAOYSA-N 272.307 3.743 0 40 CHAB Cc1cnn(-c2ccncc2NCc2ccc(Cl)cc2)c1 95443038 DCOPMVSQBOPYMT-UHFFFAOYSA-N 298.777 3.841 0 40 CHAB COc1ccccc1-c1cccc(NC(=O)N2CCCC2)c1 98009970 BNVMTOVCDHYYHW-UHFFFAOYSA-N 296.370 3.990 0 40 CHAB Cc1cnc(C[S@@](=O)Cc2ccc(CC(C)C)cc2)o1 85224811 KLOLRNVZZHMKFW-HXUWFJFHSA-N 291.416 3.630 0 40 CHAB C[C@]12CC=CC[C@@H]1C(=O)N(c1ccc3ccccc3c1)C2=O 26503916 SPYMKGMPCKEOLN-APWZRJJASA-N 291.350 3.686 0 40 CHAB C[C@@H](NC(=O)c1cn[nH]c1-c1ccccc1)c1ccccc1 28927147 PHDZOWLMOCGQOD-CYBMUJFWSA-N 291.354 3.568 0 40 CHAB CC[C@H](C)NCc1ccc(O[C@@H](C)CC)c(OC)c1 66116159 FYSYRBSXBBTMKZ-STQMWFEESA-N 265.397 3.761 0 40 CHAB CC(C)c1nc(CC(=O)N[C@H](C)c2cccs2)cs1 31699451 IHCSUKSNLADZCX-SNVBAGLBSA-N 294.445 3.748 0 40 CHAB CNc1ccc([C@H]2CCCCN2CC(C)C)c(C)n1 72219123 ZYHWPTSKSAAZQI-OAHLLOKOSA-N 261.413 3.615 0 40 CHAB CC(=O)N1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214112 HXRPPAMOXYUUBS-QGZVFWFLSA-N 295.386 3.899 0 40 CHAB Cc1cc(C(=O)N2CC[C@@H](c3ccsc3)C2)c(C)o1 670785057 WLHZFERPVUUKMG-GFCCVEGCSA-N 275.373 3.588 0 40 CHAB CC(C)(C)OC(=O)N1CCc2sc(C(F)F)cc2C1 575628910 GBZPBAWJSWSBQP-UHFFFAOYSA-N 289.347 3.979 0 40 CHAB O=C(Nc1ccccc1-c1cccs1)[C@H]1CCCO1 48333679 GFDXJEIYVJDUSV-CYBMUJFWSA-N 273.357 3.533 0 40 CHAB CO[C@H]1CCCN(C2CCCC2)[C@H]1Cc1ccccc1F 1615140701 WBOHXJAEFANEIO-ROUUACIJSA-N 291.410 3.790 0 40 CHAB CC(C)(C)SCCNC(=O)C(Cl)=C(Cl)Cl 2576621 RHNBNJYCKQSHBF-UHFFFAOYSA-N 290.643 3.520 0 40 CHAB C1=C(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)COCC1 19373866 JKBWPCKVBNIZSK-ZRNYENFQSA-N 297.442 3.895 0 40 CHAB Fc1ccc(-n2cc([C@@H]3Nc4ccccc4CO3)cn2)cc1 19375597 WVKYTEVBDJVCIK-QGZVFWFLSA-N 295.317 3.652 0 40 CHAB Cc1sc2nc(-c3ccc(Cl)cc3)[nH]c(=O)c2c1C 16265906 RHVGKZDMCZWCEX-UHFFFAOYSA-N 290.775 3.922 0 40 CHAB CCCC[C@H](CC)Cn1c(=S)[nH]c2ncccc2c1=O 2959779 OLSZWPDQBJEFQZ-NSHDSACASA-N 291.420 3.670 0 40 CHAB FC(F)(F)Oc1ccc2[nH]c(-c3ccccn3)nc2c1 113262997 JSNWHSDKJSOXET-UHFFFAOYSA-N 279.221 3.524 0 40 CHAB Cc1ccc(C)c2sc(NCc3cccnc3)nc12 38575633 JGFUYSOXLCYFNV-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB CN(Cc1ccccc1)C(=O)c1cccc(-n2cccc2)c1 21002627 INSYMLBNTLRBFA-UHFFFAOYSA-N 290.366 3.750 0 40 CHAB CC(C)Oc1ccc(NC(=O)C2CCC2)cc1Cl 40074105 HJNDHKHKOSLACI-UHFFFAOYSA-N 267.756 3.866 0 40 CHAB Cc1cccc(COc2ccc(/C=C\C(=O)O)cc2)c1 11897218 DJDVQZCOIJLICF-YFHOEESVSA-N 268.312 3.672 0 40 CHAB COc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)cc1 8654575 FJHVKWBUVJLIOC-UHFFFAOYSA-N 280.327 3.737 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2ccccc2C)c1C 32753697 HTNYXTVVQDCYKJ-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB CCOC(=O)[C@H](Cc1ccccc1)Sc1ccccc1 2035281 ZEHMOEIYIKKMDI-INIZCTEOSA-N 286.396 3.953 0 40 CHAB Cc1cc(NC(=O)Cc2cccs2)c2ccccc2n1 3136093 IOSISYPOUVEUJS-UHFFFAOYSA-N 282.368 3.786 0 40 CHAB O=C(Sc1ncnc2ccccc12)c1ccccc1 3214193 RMPHDOJUBMVSBC-UHFFFAOYSA-N 266.325 3.562 0 40 CHAB Cc1cnn(CCN[C@H](C)c2cccc3ccccc23)c1 75610870 SFGABFKGCULIPV-OAHLLOKOSA-N 279.387 3.696 0 40 CHAB CCc1cc(C(=O)Cc2ccc(Cl)cc2)c(O)cc1O 4070554 GGCDRUGOVAVPIT-UHFFFAOYSA-N 290.746 3.739 0 40 CHAB Cc1cccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 6433963 RECCQGDKBQCBNW-GOSISDBHSA-N 295.382 3.568 0 40 CHAB CCCC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 21840965 DCZPGONBCAKNFD-UHFFFAOYSA-N 286.400 3.808 0 40 CHAB CCc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 59369376 LVFQUCHPLXQHIZ-AWEZNQCLSA-N 283.371 3.963 0 40 CHAB Nc1ccc(Oc2cccc(F)c2)c(Br)c1 43597598 FBFGGBXVGHNBEL-UHFFFAOYSA-N 282.112 3.963 0 40 CHAB in-vitro Cc1cnn(CC2CC2)c1NC(=O)c1cccc(Cl)c1 58343523 KDEIIJUZGNOGIT-UHFFFAOYSA-N 289.766 3.507 0 40 CHAB CC[C@H](NC(=O)Cc1ccc(C)cc1)c1ccccc1 20041207 WPMGRXYISHOCOB-KRWDZBQOSA-N 267.372 3.805 0 40 CHAB COc1cc(Cl)c(NC(=O)C[C@@H]2C=CCC2)cc1OC 12729210 ODYHVOSOIRXZBP-SNVBAGLBSA-N 295.766 3.652 0 40 CHAB COc1ccc(CCC(=O)c2cc(F)c(F)c(F)c2)cc1 2516587 ZVNRRZOTZSDNRA-UHFFFAOYSA-N 294.272 3.928 0 40 CHAB c1ccc(C2(CNc3nc4ccccc4o3)CC2)cc1 29411682 PQWKKTUJFNLWGQ-UHFFFAOYSA-N 264.328 3.972 0 40 CHAB Cc1cccc(C(=O)N2c3ccccc3C[C@@H]2C)c1 12920040 PPKGCEMBLHESJV-ZDUSSCGKSA-N 251.329 3.586 0 40 CHAB CCOc1cccc2cc([C@H](C)NC(=O)c3ccco3)oc12 8746097 ZBAFJJLMRHVNTJ-NSHDSACASA-N 299.326 3.916 0 40 CHAB Cc1cc(CNc2ccc(C(F)(F)F)cc2)no1 49754984 SAJCHBORZWRTPO-UHFFFAOYSA-N 256.227 3.614 0 40 CHAB COc1ccc(-c2nnc(/C=C/c3cccs3)o2)cc1 4291480 HZYHYFZWAPTWMJ-CMDGGOBGSA-N 284.340 3.977 0 40 CHAB COc1cccc(NC(=O)Cn2c(C)cc3ccccc32)c1 6390264 BEXCFGMNSOEISS-UHFFFAOYSA-N 294.354 3.597 0 40 CHAB Cc1oc(C)c(C(=O)NCCSc2ccccc2)c1C 14186880 RTAFYCACBZPGPS-UHFFFAOYSA-N 289.400 3.727 0 40 CHAB Cc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1F 14373791 NTBJPERBAICIEJ-INIZCTEOSA-N 269.319 3.551 0 40 CHAB CCc1ccc([C@H](C)N[C@H](C)[C@@H]2CCCOC2)cc1 96003141 WTRTZUAMIRKDFU-JJRVBVJISA-N 261.409 3.715 0 40 CHAB COc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1 15934241 JLRIRMTXWAPWHK-UHFFFAOYSA-N 282.343 3.828 0 40 CHAB Cc1ccc(NC2CCN(C(=O)c3ccccc3)CC2)cc1 68337947 NRQBICZNLXFLQX-UHFFFAOYSA-N 294.398 3.712 0 40 CHAB Cc1ccc(C)c(C(=O)CSc2nc(C)c(C)o2)c1 8333013 LYVHVPIZQOUXQF-UHFFFAOYSA-N 275.373 3.883 0 40 CHAB Cc1cc(-c2cc(C(=O)O)c3cnn(C(C)C)c3n2)c(C)o1 9428865 RRQFGCODIWNTQW-UHFFFAOYSA-N 299.330 3.587 0 40 CHAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](C)CC3=O)c(C)c1 17206359 PYWBRBTZZZJXCF-LLVKDONJSA-N 281.359 3.602 0 40 CHAB COc1ccccc1CNCc1ccc([C@@H]2C[C@H]2C)o1 19903147 OCXJFPCMNYLICT-IUODEOHRSA-N 271.360 3.701 0 40 CHAB CCC(CC)(CO)Nc1nc(C(F)F)nc2ccccc12 72310966 SHKZARVOOQUVHU-UHFFFAOYSA-N 295.333 3.530 0 40 CHAB CC1(C(=O)NCc2coc(-c3cccs3)n2)CCCC1 96997571 ZQEIQQKPRMCJHK-UHFFFAOYSA-N 290.388 3.600 0 40 CHAB CC(=O)Nc1cc(-c2nc(-c3ccsc3)no2)ccc1C 95394385 MOYWCUGCMPGHIK-UHFFFAOYSA-N 299.355 3.732 0 40 CHAB C[C@@H](NCC1CCC1)c1ccc(-c2cncnc2)cc1 95985830 RZGSMLUQSYVKFN-CYBMUJFWSA-N 267.376 3.594 0 40 CHAB CN(Cc1cnn(-c2ccccc2)c1)c1ccncc1Cl 75103586 PVUVJGRLLBEYGX-UHFFFAOYSA-N 298.777 3.557 0 40 CHAB Cc1ccc(CCCCC(=O)N[C@H](C)c2ccncc2)cc1 69005535 JDCQSTFBGFHZHO-MRXNPFEDSA-N 296.414 3.980 0 40 CHAB CCOc1ccccc1-c1csc(NC(=O)C2CC2)n1 27756735 VMQULUOBCCZHLW-UHFFFAOYSA-N 288.372 3.557 0 40 CHAB CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2CC)cn1 72213533 ZRONWPSXWANAID-HIFRSBDPSA-N 261.413 3.839 0 40 CHAB Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 6945892 VPOUGIGDOPAFDU-UHFFFAOYSA-N 285.318 3.736 0 40 CHAB Cc1nc(S)ccc1[C@@H]1CCCCN1CC(C)C 72218402 TURJPXZTDGOQDZ-AWEZNQCLSA-N 264.438 3.862 0 40 CHAB CCCOC(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 85398388 RDYZUGFBRNMRRK-UHFFFAOYSA-N 280.327 3.797 0 40 CHAB CC(C)(C)C(=O)N(Cc1ccsc1)Cc1ccccn1 44445924 ULXQSKHVAKKIPM-UHFFFAOYSA-N 288.416 3.718 0 40 CHAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(C(F)(F)F)cc1 49549034 SHIPTBJYURDCPU-JTQLQIEISA-N 295.264 3.563 0 40 CHAB COc1ccc(-c2cnc(-c3cccs3)[nH]2)cc1 40710680 OCRQCMKKESAJGD-UHFFFAOYSA-N 256.330 3.814 0 40 CHAB CCCCn1c(CCc2ccccc2)ccc1C(=O)OC 226028629 PNOUHKLNFLRUCJ-UHFFFAOYSA-N 285.387 3.860 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1ccc(Cl)c(F)c1 49231895 YNPYYNZJZHUETQ-UHFFFAOYSA-N 296.729 3.655 0 40 CHAB C[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(F)c2)o1 97377475 DUBTYBVPTYPING-BXUZGUMPSA-N 289.354 3.544 0 40 CHAB Brc1ccc2nn(Cc3ccccc3)cc2c1 90413555 PWVUHQLGFWNVKR-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB Nc1cc(Cl)c(NCc2cccnc2)c(Cl)c1 96524282 XCXUSNGACOWNPK-UHFFFAOYSA-N 268.147 3.583 0 40 CHAB FC(F)(F)c1ccc(N2CCc3sccc3C2)nc1 78432998 BNFZROIVWUYKKE-UHFFFAOYSA-N 284.306 3.725 0 40 CHAB O=C(CCc1cccc(Cl)c1)N1CCC(C2CC2)CC1 646768453 DTLLPECCDJWUAY-UHFFFAOYSA-N 291.822 3.921 0 40 CHAB CCCCC[C@@H](CN(C)C)[C@H](O)/C=C\c1ccccc1 5052729 DEETXEARXAKUHP-OYTYHKKUSA-N 275.436 3.819 0 40 CHAB CCOc1ccc2nc(NC(=O)N(CC)CC)sc2c1 6462697 OAAZJMOQTHQHQT-UHFFFAOYSA-N 293.392 3.569 0 40 CHAB Cc1ccc(OCCOC(=O)c2cc3ccccc3[nH]2)cc1 5492309 XFDWMHHUEDRBNV-UHFFFAOYSA-N 295.338 3.712 0 40 CHAB c1cc(CN2CCCCC2)ccc1CN1CCCCC1 5634146 KMCXFMWYRJPFTC-UHFFFAOYSA-N 272.436 3.658 0 40 CHAB CCOc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 5704476 NNKKYGZSYRFBPV-UHFFFAOYSA-N 297.354 3.687 0 40 CHAB Oc1cccc([C@]23CCCC[C@H]2CN(CC2CC2)CC3)c1 11678389 KFIQKMINEHFZSM-PKOBYXMFSA-N 285.431 3.936 0 40 CHAB CCCC[C@]1(CCC)NC(=S)N(c2ccccc2)N1 13547494 HECXJRQFVSKKSX-OAHLLOKOSA-N 277.437 3.572 0 40 CHAB CCCCCc1nnc(NC(=O)NC2CCCCC2)s1 16638684 NOISXVHRDDNVBD-UHFFFAOYSA-N 296.440 3.725 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1F 22510400 GYVWSNWSAFDPPL-UHFFFAOYSA-N 277.726 3.751 0 40 CHAB Cc1ccccc1CN1CCC[C@@H](COc2ccncc2)C1 1776000981 SKYMUIBHEBCHTD-QGZVFWFLSA-N 296.414 3.681 0 40 CHAB CC(C)[C@@H](C)NC(=O)Nc1cccc(Br)c1 40023865 JFMPNGJQZYUWOD-SECBINFHSA-N 285.185 3.615 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)o1 33230217 CDDUNMSSHQRFFL-NSHDSACASA-N 268.316 3.560 0 40 CHAB CCCC[C@]1(c2ccccc2)NN=C2Oc3ccccc3N21 4189725 CLHNKNMHOQWWQL-SFHVURJKSA-N 293.370 3.803 0 40 CHAB COC(=O)CCCC(=O)c1cccc(C(C)(C)C)c1 575357880 ZJBPKZPUUDGCOK-UHFFFAOYSA-N 262.349 3.510 0 40 CHAB C[n+]1c(/C=C/Nc2ccccc2)ccc2ccccc21 27515243 VKAYIEVWCWYMCO-UHFFFAOYSA-O 261.348 3.747 0 40 CHAB O=C(NCc1ccsc1)Nc1ccccc1Cl 38586703 RUYKQDIUUCGREF-UHFFFAOYSA-N 266.753 3.723 0 40 CHAB O=C(c1ccc(-c2ccccc2)c(F)c1)C(F)F 575242781 LGZKZNHGIFCPHW-UHFFFAOYSA-N 250.219 3.941 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1CCCOc1ccc(C=O)cc1 217790252 PFGDLLKEWPKCDC-HUUCEWRRSA-N 275.392 3.531 0 40 CHAB CN(C(=O)Nc1ccccc1-n1cccn1)C1CCCCC1 40121022 JPZJEBVKDBADBX-UHFFFAOYSA-N 298.390 3.669 0 40 CHAB COc1ccc(-c2cc3n(c2)CCn2cccc2-3)cc1 271204 NQKMNHOAHGAECY-UHFFFAOYSA-N 264.328 3.646 0 40 CHAB CCOc1ccccc1C(=O)Nc1cccc2cccnc12 363560 QAYFQKDEZOJHQO-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB Cc1cccc(NC(=O)c2ccc3nsnc3c2)c1C 38108 CSGAWDSYXJBJKQ-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB CC(=O)Oc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1 43006 VTWJEAZBNAWTBF-UHFFFAOYSA-N 296.278 3.723 0 40 CHAB biogenic BrC12CCC(Br)(CC1)CC2 1721666 WXKVRFWRGLDBMD-UHFFFAOYSA-N 267.992 3.622 0 40 CHAB CC[C@@H](C)C(=O)N1CC[C@H](C)Sc2ccccc21 32904020 XGLSQNLSRKYWDZ-NEPJUHHUSA-N 263.406 3.950 0 40 CHAB C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 7123428 AZLWKBQFAWXMJV-CYBMUJFWSA-N 271.335 3.636 0 40 CHAB Cc1cc(CN(C)CCCOc2ccc(Cl)cc2)no1 42132212 LWADHGVQKSFRAS-UHFFFAOYSA-N 294.782 3.537 0 40 CHAB CCC[C@@H](C)c1c(O)nc(S[C@@H](C)CC)n(CC)c1=O 23115571 ZECQTMNMLSFBRF-MNOVXSKESA-N 298.452 3.763 0 40 CHAB Cc1ccc(NC(=O)N2CCc3ccccc32)cc1 1002480 GOARQAIUWMZDRT-UHFFFAOYSA-N 252.317 3.590 0 40 CHAB Cc1ccc(N2C(=O)S[C@H](Nc3ccccc3)C2=O)cc1 1516276 HIERSLZHYIQVLR-AWEZNQCLSA-N 298.367 3.633 0 40 CHAB CCN(Cc1ccco1)[C@@H](C)c1nc(C(C)(C)C)no1 47929774 HPIXJUDDUXMSED-NSHDSACASA-N 277.368 3.543 0 40 CHAB O=C(Nc1ccc(Oc2ncccn2)cc1)C1CCCCC1 48202760 OTLNBJBLQZWMHM-UHFFFAOYSA-N 297.358 3.788 0 40 CHAB CCN(C(=O)Cc1noc2ccccc12)C1CCCCC1 58582773 JRWXAVADCXAYHY-UHFFFAOYSA-N 286.375 3.552 0 40 CHAB O=C(NC(C1CC1)C1CC1)N(Cc1cccs1)C1CC1 45438091 RARVIVJLKGQUKS-UHFFFAOYSA-N 290.432 3.611 0 40 CHAB COCC(=O)Nc1nc(-c2cccc3ccccc23)cs1 12771229 ZMVKMCABZRJWEL-UHFFFAOYSA-N 298.367 3.548 0 40 CHAB O=C(CCc1cc(F)c(F)c(F)c1)c1ccccc1 2517835 PDBOJZYZCMXNPJ-UHFFFAOYSA-N 264.246 3.919 0 40 CHAB COC(=O)c1cccc(Nc2ccnc3cc(F)ccc23)c1 64874565 HRVKHFMWGWPZSB-UHFFFAOYSA-N 296.301 3.904 0 40 CHAB CCSc1nnc(Nc2ccc(CC)cc2)s1 3461429 XJSULIZDZVGJAD-UHFFFAOYSA-N 265.407 3.956 0 40 CHAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C=CC(C)(C)O2 8764592 OSOYGULOMHCQEK-UHFFFAOYSA-N 282.339 3.774 0 40 CHAB biogenic COc1ccc(C)cc1NC(=O)c1ccc(C)s1 6395538 QDORTQRCGWYXST-UHFFFAOYSA-N 261.346 3.626 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 4666368 PPXIKLMMTTXNLM-KGLIPLIRSA-N 261.409 3.903 0 40 CHAB CNC(=S)Nc1ccc(Oc2ccc(C)cc2)cc1 7561504 JFWAWXHANYZEMR-UHFFFAOYSA-N 272.373 3.704 0 40 CHAB Nc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)c(Cl)c1 72265876 NVZSCSQYYUTATB-ZETCQYMHSA-N 293.594 3.794 0 40 CHAB in-vitro Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cn1 72313216 NMSMQBLXQWLNNR-QGZVFWFLSA-N 298.361 3.897 0 40 CHAB CCOc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1 84807918 GSUGELDQBVFYOJ-LBPRGKRZSA-N 273.332 3.512 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc2[nH]ccc2c1 95986515 MCCHURLTSLNFRF-CJNGLKHVSA-N 284.403 3.795 0 40 CHAB CC[C@H](C)c1nc(Cl)nn1-c1ccc(F)cc1 22125796 YGWPGMJKCGRCSN-QMMMGPOBSA-N 253.708 3.573 0 40 CHAB O=C(c1ccc(Br)cc1Cl)C(F)F 307487300 NRFXCHZPHGABPI-UHFFFAOYSA-N 269.472 3.550 0 40 CHAB Cc1cccc2sc(NC(=O)OC(C)(C)C)nc12 39123837 UACGNPLNWBPUJN-UHFFFAOYSA-N 264.350 3.952 0 40 CHAB O=C(c1ccc(Br)cc1)c1c(F)cccc1F 36941756 BQHWQLLCKNHKBE-UHFFFAOYSA-N 297.098 3.958 0 40 CHAB COc1cccc2cc(C(=O)N[C@H](C)c3ccccc3)oc12 73742563 NZUUNVSFXAQNTJ-GFCCVEGCSA-N 295.338 3.932 0 40 CHAB CCC(=O)c1cnc(N2CCc3ccccc3C2)cc1C 72223887 GWLFQHXIMJFPQJ-UHFFFAOYSA-N 280.371 3.545 0 40 CHAB O=C(O)[C@H]1C[C@H]1c1ccc(-c2ccccc2Cl)o1 70452958 YTYROQWWJRSTIX-ZJUUUORDSA-N 262.692 3.788 0 40 CHAB Clc1ccc(Cc2cccc([C@@H]3CCCN3)n2)cc1 72356430 RSZGJWGZTQCTGB-HNNXBMFYSA-N 272.779 3.750 0 40 CHAB Cc1ccc2c(C)c(C(=O)N(C)CC3CC3)oc2c1 72251224 YVBVTAQADOHTOQ-UHFFFAOYSA-N 257.333 3.532 0 40 CHAB Cc1cc(C)cc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 225320153 VHZJCFMKDCXUGC-UMVBOHGHSA-N 274.433 3.778 0 40 CHAB CCCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225844237 CDQOMTWVHCKZCS-AWEZNQCLSA-N 277.408 3.802 0 40 CHAB Nc1ncc(-c2ccc(Br)c3ccccc23)o1 85392851 KMPQBOPUFLLBDH-UHFFFAOYSA-N 289.132 3.840 0 40 CHAB CC[C@@H](C)Oc1ccccc1[C@@H](C)NC[C@@H]1CCCO1 225162548 AEGZFYICSOOIQG-KFWWJZLASA-N 277.408 3.694 0 40 CHAB COc1ccccc1CN(C)C(=O)c1cc(C)c(C)cc1C 225647349 YVGFHNLNDPBRBK-UHFFFAOYSA-N 297.398 3.893 0 40 CHAB Cc1nnc([C@H](C)SC[C@H](C)c2ccccc2)o1 96496193 FARNOLHADMSNEK-QWRGUYRKSA-N 262.378 3.976 0 40 CHAB Cc1cccc(CCCNC(=O)NC2CCCCC2)c1 96702548 CTHXXQXGCZWEBY-UHFFFAOYSA-N 274.408 3.560 0 40 CHAB c1ccc2c(c1)CC[C@H](Nc1nc3ccccc3o1)C2 52928017 HQLSYIYTWZVEDS-AWEZNQCLSA-N 264.328 3.797 0 40 CHAB O=C(O)C1=C(C(=O)c2cc(F)cc(Cl)c2)CCCC1 95634028 ZQVMDMQIRMGDIV-UHFFFAOYSA-N 282.698 3.617 0 40 CHAB Cc1nsc(NCc2ccc(Cl)c(Cl)c2)n1 95976670 MGMWRUZFPFZGNK-UHFFFAOYSA-N 274.176 3.765 0 40 CHAB CO[C@H]1CCCN(C2CCCC2)[C@H]1Cc1ccc(C)cc1 1615140690 VQQOUVDTTGGSML-OALUTQOASA-N 287.447 3.960 0 40 CHAB c1ccc(SCCCSc2ccccn2)nc1 14982217 ZQYXRBCHRQIHKG-UHFFFAOYSA-N 262.403 3.751 0 40 CHAB CCOc1ccccc1NC(=O)c1cc(N)ccc1Cl 19281508 FJASEYRSGXVOSN-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB CCCNCc1cccc(OCc2ccc(F)cc2)c1 6324161 PHQWTOVAZICUGG-UHFFFAOYSA-N 273.351 3.904 0 40 CHAB Cc1cc(O[C@H](C)C(=O)NC(C)(C)C)cc(C)c1Cl 150789 CVVXPQJVUVCGLK-LLVKDONJSA-N 283.799 3.639 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1ccc(C)c2ccccc12 575358541 DESVGTWPJUGCCT-UHFFFAOYSA-N 270.328 3.673 0 40 CHAB Cc1cccc(-c2noc(-c3ccc(N)c(C)c3)n2)c1 21520696 JLQPOXHAWSEETB-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB COc1ccc(CCNCc2cccc3cccnc23)cc1 73448883 UFBKHHSWYVXPQB-UHFFFAOYSA-N 292.382 3.576 0 40 CHAB O=C(Cc1ccccc1Cl)Nc1cccc(F)c1 3548392 ZRUWCQYQDMLXSR-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB Cc1ccc(C(=O)Sc2nc3ccccc3n2C)cc1 7343463 XTTQTHNTSHOWPC-UHFFFAOYSA-N 282.368 3.814 0 40 CHAB Cc1ccc(/C=C/C(=O)NCc2ccccc2C)cc1 7977120 SNYZHEYVKYITQW-VAWYXSNFSA-N 265.356 3.633 0 40 CHAB Cc1ccc([C@H](C)NC(=S)NCc2cccs2)s1 53532308 QNXQQLGZLUZAPG-JTQLQIEISA-N 296.486 3.843 0 40 CHAB Cc1cc(C)c(C2=NO[C@@H]3[C@H]2[C@@H]2CC[C@@H]3C2)c(C)c1 100469733 WKLZNTYMDOPBSE-LGWLGOQQSA-N 255.361 3.761 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccncc2C)C1(C)C 107294413 HVLRYQRUCQZFFB-TZMCWYRMSA-N 258.365 3.567 0 40 CHAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1nc(-c2ccccc2)c[nH]1 58249803 RFFFRIKXVFOSEF-DZGCQCFKSA-N 295.386 3.610 0 40 CHAB COc1cc(C=O)ccc1CSc1ccccc1 2388756 VOLJUMSIVYCPEJ-UHFFFAOYSA-N 258.342 3.800 0 40 CHAB CCc1ccc(-c2csc(-c3cnccn3)n2)cc1 48356492 OFHAKOBIBMYWLQ-UHFFFAOYSA-N 267.357 3.830 0 40 CHAB CC1(C)COC(CCCC(=O)c2cccc(F)c2F)OC1 2518077 ZDBOKPZVNMMYEG-UHFFFAOYSA-N 298.329 3.717 0 40 CHAB Cc1cnc(NC(=O)/C=C/c2cccc(Cl)c2)s1 3560737 MQADDLMPHLVAMV-AATRIKPKSA-N 278.764 3.757 0 40 CHAB Cc1cc(Nc2ccccc2)c2cc(C(=O)O)ccc2n1 4226492 LAESUXRBXOMZGV-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB C[C@@H](NC(=O)c1cccc(Cl)c1)c1cccs1 6220436 CEGAKMLUEMAXFV-SECBINFHSA-N 265.765 3.893 0 40 CHAB O=C(Nc1nc2c(s1)CCC2)c1cc2ccccc2o1 14198919 UFJAOXAVQOESNF-UHFFFAOYSA-N 284.340 3.630 0 40 CHAB O=C(Nc1ccccc1CO)c1ccc(Cl)cc1Cl 5771930 FZOQELVZFSQYLD-UHFFFAOYSA-N 296.153 3.738 0 40 CHAB COc1cccc2c1N[C@H](CCc1ccccc1N)CC2 15108789 FLZJIUROKPMEEA-OAHLLOKOSA-N 282.387 3.637 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@H]2CCCC[C@H]21 69874271 FVIHFDUAXKRQIE-MLGOLLRUSA-N 268.360 3.573 0 40 CHAB CC(=O)c1ccccc1NC(=O)/C=C/c1cccs1 7642684 UTDMBNPROKAURA-CMDGGOBGSA-N 271.341 3.603 0 40 CHAB Cc1noc(C)c1[C@@H](C)NCc1coc(-c2ccccc2)n1 95409651 WCZIPNVKQJDOBV-LLVKDONJSA-N 297.358 3.797 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1ccc(N2CCCC2)cc1 408676696 MKTIVOMNASFXSN-UHFFFAOYSA-N 298.361 3.987 0 40 CHAB Cc1c(C(=O)O)oc2c(Cl)cc(Br)cc12 36928504 WUTGYKZDTLTOEG-UHFFFAOYSA-N 289.512 3.855 0 40 CHAB in-vitro Cc1cc(C)c(NC(=O)c2cccc(OC(C)C)c2)c(N)c1 70462858 RPALQWNBFNUOCF-UHFFFAOYSA-N 298.386 3.925 0 40 CHAB Cc1cc(-c2cnc(NC3CCCC3)nc2C(C)C)on1 72341121 WAHASSLQXVYNKN-UHFFFAOYSA-N 286.379 3.918 0 40 CHAB CN1CCc2c(n(Cc3ccccc3)c3ccccc23)C1 72332470 ZJMCGGAWSAXHNR-UHFFFAOYSA-N 276.383 3.678 0 40 CHAB COc1ccc([C@@H]2CCC(=O)N2Cc2ccccc2F)cc1 75876652 NYSMWWWYTWGCHF-KRWDZBQOSA-N 299.345 3.698 0 40 CHAB COc1c(Cl)cc(C)cc1C(=O)N1CCCC[C@@H]1C 72206585 AEAASSCRQQZWSJ-NSHDSACASA-N 281.783 3.672 0 40 CHAB CCSc1ncccc1[C@H]1CCCN1C(C)C 72217181 QYFNRYJOGHHVLV-CYBMUJFWSA-N 250.411 3.739 0 40 CHAB NC(=S)c1ccc(-c2nc3ccccc3s2)cc1 73634003 RCGDZFGWMSGNLF-UHFFFAOYSA-N 270.382 3.598 0 40 CHAB Cc1nc(-c2ccccc2)ncc1C(=O)NC1CCCCC1 82301550 HYXCVBJELTZTJY-UHFFFAOYSA-N 295.386 3.515 0 40 CHAB COc1ccc(C2=CCN(C(=O)c3ccc(C)o3)CC2)cc1 40539879 ULEPWAVYUOPLEN-UHFFFAOYSA-N 297.354 3.526 0 40 CHAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1 225649115 MDGJJLJJAKVCMP-INIZCTEOSA-N 279.380 3.619 0 40 CHAB Cc1ccsc1CCC(=O)c1ccc2c(c1)OCO2 199736900 PDLZCUOMNFDLSY-UHFFFAOYSA-N 274.341 3.601 0 40 CHAB FC(F)(F)Oc1ccc2nc(Cl)nc(Cl)c2c1 26894476 TXUORFXSHBZAQJ-UHFFFAOYSA-N 283.036 3.835 0 40 CHAB Clc1ccc(OCc2cc(Br)no2)cc1 95098305 QDCUYVKTWCECSJ-UHFFFAOYSA-N 288.528 3.670 0 40 CHAB O=C(Nc1cccc(Oc2ccccn2)c1)N1CCCC1 98014285 LEUSMEXWIRSDDE-UHFFFAOYSA-N 283.331 3.502 0 40 CHAB CC(=O)N[C@@H]1C[C@H](c2cccc(C)c2)O[C@@H]2CCCC[C@@H]12 257267452 MHKCSOYBFAKUDO-BSDSXHPESA-N 287.403 3.520 0 40 CHAB CCc1ccc(C(=O)c2cc(F)c(F)cc2F)cc1 95916919 JSPDUBHOFSLYER-UHFFFAOYSA-N 264.246 3.897 0 40 CHAB C[C@@H](CNC(=S)Nc1ccccc1)c1ccccc1 16244586 VUUULYSKEQGLCF-ZDUSSCGKSA-N 270.401 3.777 0 40 CHAB CC(C)COc1ccc(C(C)(C)C)cc1C(=O)O 71452738 YCJBRIHAZWKWPQ-UHFFFAOYSA-N 250.338 3.717 0 40 CHAB CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2)cc1 44436 DHKORYKKQAYQRH-AWNIVKPZSA-N 297.354 3.746 0 40 CHAB CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O 5879181 XMECQSFJGDKXMO-LCYFTJDESA-N 269.325 3.506 0 40 CHAB COc1ccc(C(=S)Nc2ccc(N(C)C)cc2)cc1 13470926 SQISFFAOQQQJBG-UHFFFAOYSA-N 286.400 3.549 0 40 CHAB Clc1ccc2nc(N3CCCCC3)sc2c1 111512 AMPMJDZQHGJUFG-UHFFFAOYSA-N 252.770 3.940 0 40 CHAB Fc1ccc(-n2c(S)nnc2-c2ccco2)cc1Cl 5904033 FKYNNHPUBUQLOM-UHFFFAOYSA-N 295.726 3.609 0 40 CHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)C(C)C)[C@@H]3CCC1 12462599 MSWBZZSMICJBEZ-QGZVFWFLSA-N 296.414 3.825 0 40 CHAB O=C(CCc1ccco1)N[C@H]1CCSc2ccccc21 40462376 PYQSRLSMZYNFSR-AWEZNQCLSA-N 287.384 3.566 0 40 CHAB Cc1nsc2nc3c(F)c(F)c(F)c(F)c3cc12 383912 SWTAWXVZDOHXRH-UHFFFAOYSA-N 272.226 3.709 0 40 CHAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CCCC[C@H]12 329835 DDIOMJGDTLZALT-RYUDHWBXSA-N 294.192 3.824 0 40 CHAB Cc1cccnc1NC(=O)COc1cccc2ccccc12 362711 JGTJTRFGSXWKPN-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB Cc1cccc(NC(=O)OC[C@H]2C[C@@H]3C=C[C@H]2C3)c1 400453 QTRXSYUOGXUBRH-HZSPNIEDSA-N 257.333 3.756 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Cc2ccc(F)cc2)c(C)c1 1002649 IVNYEQMKAUCRBW-CQSZACIVSA-N 285.362 3.862 0 40 CHAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1O 32719864 DIFDZBOUDHNJEE-UHFFFAOYSA-N 296.153 3.880 0 40 CHAB Cc1cccc2c1C1c3c(C)cccc3[C@@H](O)CC1C[C@@H]2O 1599962 VLVZYXMOGGZGPI-ZVRSSOJQSA-N 294.394 3.926 0 40 CHAB Nc1ccc2c(c1)C(=O)c1cc(Cl)c(Cl)cc1-2 1724348 MTZQTBOYDLGFMC-UHFFFAOYSA-N 264.111 3.787 0 40 CHAB Cc1cc2cc(CN[C@H]3CCCC[C@@H]3C)c(=O)[nH]c2cc1C 4130517 ZVFAZZPOEXSAFE-SJCJKPOMSA-N 298.430 3.813 0 40 CHAB c1ccc2c(c1)N=c1cc3c(cc1-2)=Nc1ccccc1-3 6116945 HLVSZSQYBQCBQG-UHFFFAOYSA-N 254.292 3.550 0 40 CHAB Cc1cc(C)c(NC(=O)Cc2cccc(F)c2)c(C)c1 7651738 ZFPJGYBAJCYMBC-UHFFFAOYSA-N 271.335 3.932 0 40 CHAB CCCN(CCC)C(=O)c1c(F)c(F)c(F)c(F)c1F 2750238 HMOQDZKDPBDDBT-UHFFFAOYSA-N 295.251 3.644 0 40 CHAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 101084739 OFJKQOVHGJKGRK-MAUKXSAKSA-N 294.354 3.765 0 40 CHAB Cc1ccc(NC(=O)Cc2cccc(F)c2)c(Cl)c1 8981116 IVVBIAHMCWPMAE-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB Brc1ccc(N2CCc3ccccc32)nc1 42376676 YIZRSWBFBKCFJE-UHFFFAOYSA-N 275.149 3.538 0 40 CHAB CN(C(=O)C(Cl)=C(Cl)Cl)c1ccccc1 1385712 FPEQLGWVAPUXSD-UHFFFAOYSA-N 264.539 3.535 0 40 CHAB C[C@@]12CC3CC(C(=O)CN4CCCC4)(C1)C[C@@](C)(C3)C2 101024171 JQXYOEYZBXRQDD-YCHGYYGWSA-N 275.436 3.648 0 40 CHAB Cc1nnc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)o1 110707856 VYBVYCGCVRXPCB-XXLQHYSLSA-N 291.782 3.518 0 40 CHAB COc1ccc(NC(=O)CSc2ccc(F)cc2)cc1 1400512 IXEXXVSLBNDQCQ-UHFFFAOYSA-N 291.347 3.565 0 40 CHAB O=C(NC1CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 43646025 FFWRBHAIYJTHQK-SFHVURJKSA-N 292.382 3.506 0 40 CHAB Cc1cc2ncn(CN(C)Cc3ccc(F)cc3)c2cc1C 57535875 VXLFZCNZVNBTGH-UHFFFAOYSA-N 297.377 3.882 0 40 CHAB O=C(O)[C@H](Oc1ccccc1Cl)c1ccccc1 2017923 RAZABXQTXNREAC-CYBMUJFWSA-N 262.692 3.545 0 40 CHAB Cc1ccc(CNC(=O)C[C@H](C)c2ccccc2)s1 48331710 UZXMKGMKCXWKNL-LBPRGKRZSA-N 273.401 3.867 0 40 CHAB O=C(Nc1ccccc1F)N1CC[C@@H]1c1ccccc1 45827358 MQHFMVNEDNDQRO-OAHLLOKOSA-N 270.307 3.805 0 40 CHAB O=C(O)C1CCN(C2c3ccccc3-c3ccccc32)CC1 8735232 JSNJLWYMSHQCEL-UHFFFAOYSA-N 293.366 3.553 0 40 CHAB 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 4027447 WDTAJXMIXADUTH-IQPTWIOHSA-N 291.479 3.717 0 40 CHAB CC(C)CCn1c(=S)[nH]c2c(oc3ccccc32)c1=O 4370986 QBRBWMZQUIWRCK-UHFFFAOYSA-N 288.372 3.851 0 40 CHAB COc1ccccc1-c1ccc(CC[C@@H](C)N)cc1 82706887 VGSMCLILACKJIS-CYBMUJFWSA-N 255.361 3.642 0 40 CHAB CC(C)c1ccccc1NC(=O)c1ccc(N)cc1 19272654 RUPHBOZLECXENU-UHFFFAOYSA-N 254.333 3.645 0 40 CHAB O=C1Nc2ccccc2/C1=C/c1ccc(Cl)s1 14176249 QGYIETVHMUYWPI-YFHOEESVSA-N 261.733 3.894 0 40 CHAB CC(C)CCC[C@@H](C)NC(=O)Cc1cccs1 4550357 PSFVOVJRLYLOJG-GFCCVEGCSA-N 253.411 3.622 0 40 CHAB O=C(CSC1=Nc2ccccc2CS1)c1ccc[nH]1 6588209 GJWGEXDPBMGWQX-UHFFFAOYSA-N 288.397 3.865 0 40 CHAB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccs1 8183668 RZNIUJUUYFZCHZ-MRVPVSSYSA-N 281.764 3.598 0 40 CHAB Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)C(C)C)n1 72281667 HQNWWKQKOXTPCT-CHWSQXEVSA-N 280.437 3.797 0 40 CHAB C1CCC(Nc2nnc(SC[C@H]3CCCO3)s2)CC1 9884864 QUAPUJWSXQZAQY-LLVKDONJSA-N 299.465 3.554 0 40 CHAB Cc1ocnc1CN(C)CCc1cccc2ccccc12 95442964 JYKNZPAOOGSMMG-UHFFFAOYSA-N 280.371 3.811 0 40 CHAB Cc1ncc(CSCc2nnc(C3CCC3)o2)s1 95412910 PXXJTOXRNFZLPJ-UHFFFAOYSA-N 281.406 3.535 0 40 CHAB CC(C)C[C@@H](NC=O)C1(c2ccc(Cl)cc2)CCC1 22054821 IYVDPOSYKKHSFG-OAHLLOKOSA-N 279.811 3.922 0 40 CHAB in-vitro O=C(Nc1cccc(C2SCCS2)c1)N1CCCC1 74450298 MVDHGPGCJOGNKK-UHFFFAOYSA-N 294.445 3.793 0 40 CHAB CCCCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 36353881 GFFOQQKLBNYQMH-UHFFFAOYSA-N 285.269 3.710 0 40 CHAB O=C(c1ccccc1)c1cccc(Br)c1F 75927748 IDARSIIECQMLML-UHFFFAOYSA-N 279.108 3.819 0 40 CHAB O=C1C[C@H](c2cccc(Cl)c2)c2ccc(O)cc2N1 66089328 LELVWUSEARXXMC-CYBMUJFWSA-N 273.719 3.520 0 40 CHAB CC(C)Cc1cc(Br)n(-c2ccccc2)n1 72190626 LLUUVYHVMBMKFI-UHFFFAOYSA-N 279.181 3.833 0 40 CHAB CSc1ccccc1NC(=O)CCCn1cccc1 49030982 YVXDOEPGCIBFIZ-UHFFFAOYSA-N 274.389 3.629 0 40 CHAB C[C@H](NC(=S)Nc1ccncc1)c1ccc(Cl)cc1 225179204 MWBOXJSJJVPBCB-JTQLQIEISA-N 291.807 3.783 0 40 CHAB Cc1cc(Cl)c(C(=O)N2CCCC[C@@H]2C(C)C)cn1 95428277 XWMCGHQBSYBNSB-CQSZACIVSA-N 280.799 3.694 0 40 CHAB O[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F 220949243 XCGVALKARGFJFN-ZETCQYMHSA-N 278.579 3.955 0 40 CHAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1F 18114154 OXIDQIPQEAVZJD-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB Oc1ccccc1-c1c(O)cc(O)c(-c2ccccc2)c1O 31166927 UYKZGYUZJASKNB-UHFFFAOYSA-N 294.306 3.843 0 40 CHAB biogenic,in-vitro CCOc1nc(C)ccc1-c1noc(-c2ccc(F)cc2)n1 498704 NSPHHNNHWFWUQY-UHFFFAOYSA-N 299.305 3.645 0 40 CHAB COc1cc(/C=C/c2ccc(OC)c(O)c2)cc(OC)c1 1591410 UQIWTPQGJCCTPA-SNAWJCMRSA-N 286.327 3.588 0 40 CHAB in-vivo CCc1cc2c(N)c(C(=O)c3ccccc3)sc2nc1C 12413199 NYZACLANLJQVCW-UHFFFAOYSA-N 296.395 3.980 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(F)c2ccccc12 575357335 COARKBXQHDLFMP-UHFFFAOYSA-N 288.318 3.895 0 40 CHAB CCCCCC(=O)NCc1cccc(C(F)(F)F)c1 40160280 ZGWQTYGIHFTNHB-UHFFFAOYSA-N 273.298 3.902 0 40 CHAB O=C(CCc1ccccc1)Nc1nc(-c2ccco2)cs1 40111370 HALFJSZWKYVOFE-UHFFFAOYSA-N 298.367 3.974 0 40 CHAB Cc1cccc(NC(=O)C2[C@@H]3CCC=CCC[C@@H]23)c1 50410 LSADUGVIPYIOCK-HUUCEWRRSA-N 255.361 3.926 0 40 CHAB CCC[C@H](NC(=O)c1ccccc1)c1ccccc1 295716 VZDCIRXTMQWXRT-INIZCTEOSA-N 253.345 3.958 0 40 CHAB CN(C)C[C@H]1c2ccccc2CSc2ccccc21 347716 ICVCJRXWYDUPFT-INIZCTEOSA-N 269.413 3.986 0 40 CHAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccccc1 149644 OIUWICLRTNHMKV-FNDVETGQSA-N 281.355 3.586 0 40 CHAB Cc1cc(Br)ccc1NC(=O)C1CCCC1 269112 KBOIPVVQNNHOGH-UHFFFAOYSA-N 282.181 3.886 0 40 CHAB Nc1ccccc1NC(=O)c1cccc2ccccc12 365253 SWZKSJUEJBMIAW-UHFFFAOYSA-N 262.312 3.674 0 40 CHAB CC(C)(C)CC(=O)N[C@H](c1ccccc1)c1ccccn1 29713194 WKONWCJUEUJFLS-QGZVFWFLSA-N 282.387 3.723 0 40 CHAB Cc1ccc(CN2C(=O)[C@H](C)Oc3ccc(C)cc32)cc1 1328396 QLVUGLCDXKBHBF-AWEZNQCLSA-N 281.355 3.618 0 40 CHAB O[C@H](Cc1ccnc2ccccc12)C(Cl)(Cl)Cl 1683327 UHPNIRAMQCYUHZ-LLVKDONJSA-N 290.577 3.508 0 40 CHAB CCOC(=O)[C@@H]1CC(=O)c2ccccc2[C@@H]1c1ccccc1 1685574 LAKGJAYWSVCIGK-AEFFLSMTSA-N 294.350 3.584 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)on2)cc1 32833023 XJTLSEKACSTZAE-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB CCc1cccc(NC(=O)Cc2cccc(F)c2)c1 7344516 OPIURCDZGGDRTI-UHFFFAOYSA-N 257.308 3.569 0 40 CHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(C)ccc2C)c1 7801423 SYQMYYMIQCOEQR-UHFFFAOYSA-N 297.354 3.651 0 40 CHAB CN(C(=O)c1cc2ccccc2c(=O)s1)c1ccccc1 12274439 LYTJCCACNDHFKT-UHFFFAOYSA-N 295.363 3.538 0 40 CHAB Clc1cc(-c2nc(-c3cccs3)no2)ccn1 22120475 WDKDEZPZTGXLRG-UHFFFAOYSA-N 263.709 3.514 0 40 CHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CCCCC1 12435610 BNJHECLQYFIZPO-UHFFFAOYSA-N 286.375 3.554 0 40 CHAB CCc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12555101 YQEUGQNWIGANDF-GOSISDBHSA-N 294.398 3.681 0 40 CHAB CCn1c(C)c(C)c2cc(C(=O)Nc3ccccn3)ccc21 27980138 GXSZOTALXRVAGS-UHFFFAOYSA-N 293.370 3.925 0 40 CHAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCC(C)CC1 12552707 JJIRMYASWSVLSO-UHFFFAOYSA-N 296.414 3.653 0 40 CHAB O=C(CCC1OCCCO1)c1cc(Cl)ccc1Cl 2581264 SBZJQOOFXZBMOV-UHFFFAOYSA-N 289.158 3.719 0 40 CHAB COc1ccc(C(=O)c2coc3cc(O)ccc23)c(F)c1 170622824 DEWMOMQTRHFLSG-UHFFFAOYSA-N 286.258 3.517 0 40 CHAB Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1Cl 6449841 DZZHJMDPTFVSJC-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB c1ccc2c(c1)CCN(c1nccc(-c3ccsc3)n1)C2 67320862 NDOXLAVBYJPBQR-UHFFFAOYSA-N 293.395 3.768 0 40 CHAB Cc1ccc(F)c(NS(=O)(=O)c2cccc(Cl)c2)c1 7428489 VIDZQROQWBATLN-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Cc1cccnc1NC(=O)c1cc2ccccc2s1 9470368 OSZQXEUKJLJQFA-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB CC(C)(C)OCc1cccc(CNCc2cccc(O)c2)c1 71854230 SFGWBJNOQODSDM-UHFFFAOYSA-N 299.414 3.997 0 40 CHAB CC(C)N(Cc1cccc(F)c1F)C[C@@H]1CCCCO1 95455742 HGFLOTRBOMSHDB-AWEZNQCLSA-N 283.362 3.744 0 40 CHAB O=C(Nc1nccs1)N1CCCC[C@@H]2CCCC[C@@H]21 95457604 VQOQDXCGJZKHTC-RYUDHWBXSA-N 279.409 3.720 0 40 CHAB Cc1nn(C(C)C)c(C)c1[C@H](C)NC[C@@H]1CCCS1 95969257 NBHVALBJZYFCFB-FZMZJTMJSA-N 281.469 3.627 0 40 CHAB Cc1cc(C)c([C@H](C)N[C@@H](C)c2cnn(C)c2)cc1C 95968480 PBCFQAYEUNFVCA-GJZGRUSLSA-N 271.408 3.757 0 40 CHAB CCCCOC(=O)Cc1ccc(OCCCC)cc1 95929500 XANNDSOAOAKZDI-UHFFFAOYSA-N 264.365 3.751 0 40 CHAB Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NC(C)C)cc1 89632114 IUNBWEVDFHCTOC-HOCLYGCPSA-N 274.408 3.886 0 40 CHAB O=C(c1cccs1)N1CCc2sc(Cl)cc2C1 648451643 JQLOCGIFOPXHQC-UHFFFAOYSA-N 283.805 3.662 0 40 CHAB COc1ccc(/C=C2/CCN=C2c2ccccc2)cc1OC 31771724 KJXPHAUZUTVYKK-VBKFSLOCSA-N 293.366 3.980 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1C 32800752 CEGVIWVTIIJCJS-UHFFFAOYSA-N 295.386 3.551 0 40 CHAB CCN1CCC[C@H]1c1cnc(N2CCCCC2)cc1C 72219212 UCHFJJKMYARSRW-INIZCTEOSA-N 273.424 3.537 0 40 CHAB O[C@H](c1ccsc1)c1sccc1Br 34122901 VSRNBUJQMCRURT-MRVPVSSYSA-N 275.192 3.654 0 40 CHAB COc1ccccc1NC(=S)Nc1cccc(F)c1C 71760523 MZVJYTAUOWWYOX-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB O=Cc1nc2ccccc2n1Cc1cccc(Cl)c1 41058260 ORIZJSZPWISRDR-UHFFFAOYSA-N 270.719 3.551 0 40 CHAB CCCCc1nc(C)c(C(=O)NC(C)(C)CC)s1 42816942 GWSVIMAJEIXZIK-UHFFFAOYSA-N 268.426 3.713 0 40 CHAB Cc1ccccc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 40977627 RLGCYOMFVAOEET-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB S=c1[nH]c(N2CCc3ccccc3C2)nc2ccccc12 44842031 UNRQPTSXLISWFZ-UHFFFAOYSA-N 293.395 3.855 0 40 CHAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)C(C)C)cc1 225230235 COZWPUVUBSFFDW-CZUORRHYSA-N 277.408 3.567 0 40 CHAB CCCCOc1ccc([C@@H](C)NCCCOC)cc1 225169859 BLSJYEWMLKFLIA-CQSZACIVSA-N 265.397 3.553 0 40 CHAB O=C(Nc1cccc(N2CCCC2)c1)N1CCCCCC1 89779460 SXDUQOMUTTWIFQ-UHFFFAOYSA-N 287.407 3.695 0 40 CHAB Cc1ccc([C@H](O)c2sccc2Br)s1 82614215 LXJMAKCBVAQGNJ-VIFPVBQESA-N 289.219 3.962 0 40 CHAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)nc1 225474937 HWTPYMIYFJQFLC-NSHDSACASA-N 289.379 3.577 0 40 CHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCCC1 223731900 XLNSEBIDAMNQMN-OAHLLOKOSA-N 287.403 3.904 0 40 CHAB CCCCOc1ccc(C)cc1C(=O)C(F)(F)F 95732838 WDFMIKDRKNVCEE-UHFFFAOYSA-N 260.255 3.919 0 40 CHAB N[C@@H]1CCCc2n[nH]c(-c3ccc(Cl)c(Cl)c3)c21 96511237 MUIJHMWLYQFTOW-SNVBAGLBSA-N 282.174 3.720 0 40 CHAB CC(C)COc1ccc(F)cc1C(=O)C(F)(F)F 95732714 UAHUADQAPCOMOO-UHFFFAOYSA-N 264.218 3.606 0 40 CHAB Cc1cnc([C@@H](NC(=O)C=C2CCCCC2)C2CC2)s1 75147749 CBWSCDLHCXBCES-HNNXBMFYSA-N 290.432 3.909 0 40 CHAB Cc1c(O)ccc2c1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5765003 CSHOYPMKTGTOLM-SMYFESCOSA-N 286.415 3.918 0 40 CHAB in-vitro CCCCCC(=O)O[C@@H](C)COc1ccccc1 5523810 IOGURQILKBZVIJ-ZDUSSCGKSA-N 250.338 3.577 0 40 CHAB CCOc1ccccc1NC(=S)NC(C)(C)CC 13823594 ACLGOSKTZHXVPU-UHFFFAOYSA-N 266.410 3.560 0 40 CHAB O=C(c1ccccn1)N(Cc1ccco1)Cc1cccs1 32667744 KZKKZNZNAFIMAI-UHFFFAOYSA-N 298.367 3.579 0 40 CHAB CC[C@H](C)c1ccc(OC[C@@H](C)OC(C)=O)cc1 1583899 FIKUKQZUOAUUJA-NWDGAFQWSA-N 250.338 3.531 0 40 CHAB C[C@@H](Cc1ccc(O)cc1)NCc1ccccc1Cl 105447708 KFZKMUCERXDYQC-LBPRGKRZSA-N 275.779 3.766 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NOCc2ccccc2)o1 40012765 MITGEGVKAGHMIW-CZUORRHYSA-N 299.370 3.584 0 40 CHAB Cc1ccc(C(=O)Cc2cc3ccccc3oc2=O)cc1 216782 ONUJZKWDMQIFEG-UHFFFAOYSA-N 278.307 3.527 0 40 CHAB Cc1ccccc1SCC(=O)NCc1ccccc1F 2646385 HAFOSKBLKKJLFH-UHFFFAOYSA-N 289.375 3.543 0 40 CHAB Cc1[nH]c2c(C(=O)NC3CCCCC3)cccc2c1C 32777777 XFINWFFXGZLHBM-UHFFFAOYSA-N 270.376 3.847 0 40 CHAB CCOc1ccccc1C(=O)Oc1ccc(Cl)cc1 1566570 AIANWALLZYGBFZ-UHFFFAOYSA-N 276.719 3.958 0 40 CHAB COC(=O)[C@@H](C/C=C(/C)c1ccc(Cl)cc1)C(C)=O 1616074 VAKUUPTXOJWYOT-IUZNHRGFSA-N 280.751 3.512 0 40 CHAB c1ccc(CC(Cc2ccccc2)=[N+]2CCCC2)cc1 1727814 QSMAAEMOGKFFPC-UHFFFAOYSA-N 264.392 3.719 0 40 CHAB CN(C(=O)c1csc(-c2ccccc2)n1)C1CCCC1 32842153 ZRLKBJGFUOPSIL-UHFFFAOYSA-N 286.400 3.825 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cccs1 52567571 YSJFXBKIWQLFKE-LLVKDONJSA-N 277.414 3.959 0 40 CHAB O=Cc1ccc(N2CCCCC2)cc1C(F)(F)F 4245520 VTYZYOACVCOHGO-UHFFFAOYSA-N 257.255 3.508 0 40 CHAB CCCC[C@H](CC)CNC(=O)Cc1ccc(C)cc1 4715914 JPPMJKOEUXPSNB-HNNXBMFYSA-N 261.409 3.870 0 40 CHAB CC[C@@H](c1ccccc1)c1cc2c(cc1OC(C)=O)OCO2 6002149 HWGRHUQNPZLJGH-AWEZNQCLSA-N 298.338 3.883 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1OC 7609986 SSWQZKQBZGOBLU-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB Fc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nccc3N2)cc1 2766652 GSGLBLIAPYQJFC-WDEREUQCSA-N 285.244 3.683 0 40 CHAB O[C@H](c1ccccc1)c1ccccc1Br 21952620 PFNIDHUYBLYJGE-CYBMUJFWSA-N 263.134 3.531 0 40 CHAB CCc1ccc([C@H](C)NC(=O)c2ccc(C)o2)cc1 2764192 ARESRASUSQCCOC-LBPRGKRZSA-N 257.333 3.641 0 40 CHAB COc1ccc([C@H]2C[C@@H]2c2ccc(OC)cc2)cc1 1556164 YTFKRSWDEPYBKW-IAGOWNOFSA-N 254.329 3.975 0 40 CHAB Cc1cc(COc2ccc(Cl)c(Cl)c2)no1 58014364 BHMVGSFMUUAXLF-UHFFFAOYSA-N 258.104 3.869 0 40 CHAB CCSc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100443230 KCUBVSXBUKTQJA-YRGRVCCFSA-N 275.417 3.717 0 40 CHAB c1cc2c(cc1C1CCCCC1)c1c3n2CCNC3=NCC1 100587713 AYEWPLSGPARBDX-UHFFFAOYSA-N 293.414 3.595 0 40 CHAB CCN1c2cc(OC)c(C=O)cc2[C@H](C)CC1(C)C 113799652 RNPSQMXDPGWMJL-LLVKDONJSA-N 261.365 3.620 0 40 CHAB c1coc(-c2nc(CSc3nncs3)cs2)c1 48331668 SARCEIQNTSPASP-UHFFFAOYSA-N 281.387 3.547 0 40 CHAB Cc1csc(SCc2nc3ccccc3o2)n1 48355307 MMNGXAHUGLGVMY-UHFFFAOYSA-N 262.359 3.885 0 40 CHAB Cc1ccc(F)cc1NC(=O)CCOc1ccccc1 3408889 OKJPWCATTAGACS-UHFFFAOYSA-N 273.307 3.542 0 40 CHAB Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)s1 3451740 JUNWYDLGMKTCMB-UHFFFAOYSA-N 284.384 3.510 0 40 CHAB C[C@@H](NCC[C@@H]1CCCO1)c1ccc(Br)cc1 38095375 STZUTWBLZGEWQO-RISCZKNCSA-N 298.224 3.669 0 40 CHAB CCCc1n[nH]c(S[C@H](C)c2cc(F)ccc2F)n1 48705884 BZWRPTIGEWNHPT-MRVPVSSYSA-N 283.347 3.889 0 40 CHAB Cc1ccnc(NC(=O)c2sccc2C2CC2)c1 49376782 KUFNLAAMMAGVDV-UHFFFAOYSA-N 258.346 3.581 0 40 CHAB Cc1cccc(NC(=O)c2ccn(C3CCCC3)n2)c1C 28222983 QTXKLTDPTRBHBK-UHFFFAOYSA-N 283.375 3.867 0 40 CHAB CC(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2C)c1 5333077 KWMOJIILRNOWCI-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3nsnc3c2)cc1C 4778167 PKPQPNXTNZTTEL-UHFFFAOYSA-N 298.371 3.952 0 40 CHAB CCCCOc1ccc(-c2nc(-c3ccccn3)no2)cc1 4775587 NLBOTFOIHKEJGV-UHFFFAOYSA-N 295.342 3.978 0 40 CHAB O=C/C=C/C1=C2O[C@H]3C=CC=CC3=C[C@@H]2c2ccccc21 5783179 LBAQLBKGECJMFD-LUUOPXGJSA-N 274.319 3.701 0 40 CHAB C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 6831660 YQUQETWBZNHREI-OAHLLOKOSA-N 290.366 3.968 0 40 CHAB COc1ccccc1NC(=O)c1cnc(Cl)c(Cl)c1 6943580 AGALDZFPQXRWOJ-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB Cc1cc(C(=O)Nc2ccc(SC(F)F)cc2)no1 7598104 OWBQSOZDPBDIKN-UHFFFAOYSA-N 284.287 3.550 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1ccc(C)s1 7655704 JQSGSMYZQWUTKX-UHFFFAOYSA-N 281.764 3.971 0 40 CHAB CCCC(CCC)NC1CCN(CC(C)C)CC1 84740405 YSCIDYGAWFDTNU-UHFFFAOYSA-N 254.462 3.665 0 40 CHAB CCCCC(=O)Nc1ccccc1OCCN(CC)CC 84742888 GZHCCDRTLFIHQB-UHFFFAOYSA-N 292.423 3.536 0 40 CHAB Fc1ccc(Cc2nc(-c3ccsc3)no2)cc1 95955913 KSRAUDATOFBDGR-UHFFFAOYSA-N 260.293 3.528 0 40 CHAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccon1 89913452 RZVHOWUYWIELJT-NSHDSACASA-N 298.298 3.551 0 40 CHAB C[C@H](SCCn1cccn1)c1ncc(C(C)(C)C)o1 176851788 IECGXMFXFZOFAR-NSHDSACASA-N 279.409 3.663 0 40 CHAB CC(C)(C)OC(=O)Nc1ccccc1C(=O)C(F)(F)F 36471812 AQEYTYMEQWCEBE-UHFFFAOYSA-N 289.253 3.779 0 40 CHAB C[C@@H](NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1 32611040 CHCISKGVZUZBGB-LLVKDONJSA-N 297.383 3.629 0 40 CHAB O=c1cc(-c2ccccc2F)oc2ccc(F)cc12 522078 HVJWYOALFICCGN-UHFFFAOYSA-N 258.223 3.738 0 40 CHAB biogenic CSc1ccccc1C(=O)N[C@@H](C)Cc1cccs1 38565798 XILIJVUSRMNZGN-NSHDSACASA-N 291.441 3.831 0 40 CHAB COc1cccc2c(=O)c(C)c(-c3ccccc3)[nH]c12 128798526 BDPPCZDUKSBLAH-UHFFFAOYSA-N 265.312 3.512 0 40 CHAB COc1cccc(NC(=O)c2nc3ccccc3s2)c1 74732121 HHAJLUUYJXNKGL-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB COc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72211692 BFKHZLSHVWMRHB-ZDUSSCGKSA-N 292.379 3.552 0 40 CHAB CCCNCc1cccn1-c1cccc(Cl)c1C 223685463 KROHGINHUUCKIN-UHFFFAOYSA-N 262.784 3.939 0 40 CHAB CC[C@H](C)Cc1c(C)sc2[nH]c(SC)nc(=O)c12 49068505 RIIXASPJTFUZPG-ZETCQYMHSA-N 282.434 3.604 0 40 CHAB CCCOC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 85398407 YUUGLKLIVSVHNP-UHFFFAOYSA-N 298.317 3.936 0 40 CHAB Clc1ccc(SC2CCNCC2)c(Cl)c1 83297989 LWNMLBYDNNCFFE-UHFFFAOYSA-N 262.205 3.838 0 40 CHAB Cc1cc(N)cc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 514269680 GTJGNTMFWVGQTA-ZDUSSCGKSA-N 290.407 3.692 0 40 CHAB CCc1cc(N)cc(C)c1NC(=O)c1cccc(C)c1OC 45889960 NCIHXRHFBRLIPL-UHFFFAOYSA-N 298.386 3.709 0 40 CHAB Clc1ccc([C@H]2CCCN2)cc1Br 84623591 QMUNUBDQYDYHAV-SNVBAGLBSA-N 260.562 3.527 0 40 CHAB Cc1cc(C)c(C(F)(F)F)c(N)c1C(F)(F)F 256028116 UNLLFAIRYLVXOO-UHFFFAOYSA-N 257.177 3.923 0 40 CHAB CC(C)[C@@H]1CCCN1c1ccnc(-c2ccccc2)n1 75127638 BIRHNBNBTIEXSU-HNNXBMFYSA-N 267.376 3.768 0 40 CHAB CCCCc1sc(N)nc1-c1ccc(OC)cc1 115805791 GRLJCAPTPROQFK-UHFFFAOYSA-N 262.378 3.744 0 40 CHAB Fc1cc(Br)cc(SC(F)F)c1 604221846 LLFFGMYKLBPZON-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 5515828 AMRVIJXAPVBXJO-CYBMUJFWSA-N 259.393 3.856 0 40 CHAB Cc1ccc(NC(=S)Nc2ccccc2F)cc1 5553171 UYZWCIPVCWKQNX-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB Cc1ccc(-c2c(N3CCCC3)n[nH]c2C2CC2)cc1 15083006 HAFUSEBOMDPUES-UHFFFAOYSA-N 267.376 3.863 0 40 CHAB O=C1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1 16958907 CNCKPUJDRCRAJV-CALCHBBNSA-N 252.313 3.849 0 40 CHAB CCOC(=O)c1nc(-c2cccc(Cl)c2)sc1C 161544840 ZXJWKIYLBJFAHO-UHFFFAOYSA-N 281.764 3.949 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2cc(F)ccc2C)c1 3566401 ZYCGLDSXNBMZCW-VQHVLOKHSA-N 285.318 3.795 0 40 CHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 7304197 LRKUREPPZVWLMD-YFTXEMMHSA-N 299.345 3.725 0 40 CHAB Clc1ccc(C2=NN[C@H](C(Cl)(Cl)Cl)C2)cc1 163905 OVIJHSVAAISBQV-VIFPVBQESA-N 298.000 3.776 0 40 CHAB c1ccc2/c(=N/C3CCCC3)[nH]nc(NC3CCCC3)c2c1 3194757 SVSODTYYOBUDHQ-UHFFFAOYSA-N 296.418 3.761 0 40 CHAB CCc1cc(C(=O)CCCCC(=O)OC)ccc1Cl 575358821 FSEYQOCYHYTUOU-UHFFFAOYSA-N 282.767 3.819 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1CC=C(Cl)Cl 100676984 JNLNZHBQHVDQJD-LLVKDONJSA-N 283.158 3.734 0 40 CHAB C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 367309 VQMPHAMCBLZNSV-LLVKDONJSA-N 291.753 3.899 0 40 CHAB CCOC(=O)c1sc2cc(OC)ccc2c1Cl 64778 JLGZUBJIMOBHQN-UHFFFAOYSA-N 270.737 3.740 0 40 CHAB FC(F)(F)c1cc(Br)c2nc(S)[nH]c2c1 91001 XUDUCQCVVBSDGY-UHFFFAOYSA-N 297.099 3.633 0 40 CHAB COC(=O)C[C@]1(C)O[C@H]2CCCC[C@@H]2C2=CCCC[C@H]21 525562 WNVJVFWHEQPCPV-AIANPOQGSA-N 278.392 3.624 0 40 CHAB Cc1ccc(C)c(Nc2nc(C)nc3c2CCC3)c1 11907772 KCXXEYOXEXLKCP-UHFFFAOYSA-N 253.349 3.634 0 40 CHAB O[C@]12CCCC[C@H]1[C@@]1(O)CCCC[C@@H]1C1(CCCCC1)O2 4005908 GATCEJCAKDSFNO-ATLSCFEFSA-N 294.435 3.520 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102588621 IBWPVCBFEGOSML-IWCQGFGOSA-N 271.404 3.560 0 40 CHAB Cc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1 6715301 ZAUYAEMUJPLSMV-UHFFFAOYSA-N 281.359 3.587 0 40 CHAB COc1cccc(OC)c1C(=O)Nc1c(C)cccc1C 560096 XDIOIOUNZGZNQE-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB Cc1ccc(OCC(=O)Nc2ccc(F)c(F)c2)c(C)c1 9856034 WOLPBNVOSIFYKV-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB C[C@@]12CC3CC(C(=O)Nc4ccon4)(C1)C[C@@](C)(C3)C2 101455099 DPSKPDWNYGBYAE-MOGXHWRCSA-N 274.364 3.610 0 40 CHAB CC[C@H](C(=O)NCc1cc(C)ccc1OC)c1ccccc1 25557065 DPXGPPJEVZYMOC-KRWDZBQOSA-N 297.398 3.814 0 40 CHAB CC[C@H](N[C@H](C)c1cnn(C)c1)c1ccc(Cl)s1 97016972 MNIAZBORNDDSKR-KOLCDFICSA-N 283.828 3.937 0 40 CHAB COc1cccc([C@H](C)Nc2cnn(CC(F)(F)F)c2)c1 97038461 PYAMLFKFOURKCL-JTQLQIEISA-N 299.296 3.627 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 57541851 NUFBFLBABAIKHH-YTDHAIJISA-N 278.355 3.847 0 40 CHAB CCCCOc1cccc(C(=O)Nc2nccs2)c1 2056877 PAENOIWANSYPGB-UHFFFAOYSA-N 276.361 3.574 0 40 CHAB CCN(Cc1ccco1)[C@H](C)c1nc(C(C)(C)C)no1 47929776 HPIXJUDDUXMSED-LLVKDONJSA-N 277.368 3.543 0 40 CHAB CCCCNC(=S)Nc1ccc(C)c(Cl)c1 3231621 YLXCEAJTXKDOOE-UHFFFAOYSA-N 256.802 3.735 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)c1C 20459048 XYQVYLWSRKEGAV-OAHLLOKOSA-N 291.435 3.868 0 40 CHAB Cc1ccc(C)c(C(=O)c2ccccc2CN2CC=CC2)c1 2515894 BMJKPFAKNKKKTF-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB COc1cccc(CCC(=O)c2ccccc2C)c1 2516491 FWLRMKBUHKBRDO-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB O=C(NCc1ccc(O)cc1)c1occc1-c1ccccc1 48332237 PXVZRMRCDGPMAC-UHFFFAOYSA-N 293.322 3.582 0 40 CHAB CCc1nc(CSc2nc(C3CCCC3)n[nH]2)cs1 13010848 RMYJYWASJGRXEU-UHFFFAOYSA-N 294.449 3.774 0 40 CHAB Cc1sc(C)c(Br)c1Br 39256070 NWYUIYYDNDZXBK-UHFFFAOYSA-N 269.989 3.890 0 40 CHAB CC(=O)c1cc(CCC(=O)Nc2cccc(F)c2)oc1C 8727820 GCMAFZFPQYBOSB-UHFFFAOYSA-N 289.306 3.501 0 40 CHAB Cc1ccc2c(CC(=O)N(C)Cc3ccco3)coc2c1C 8753378 XNXIOPIVNGTDDS-UHFFFAOYSA-N 297.354 3.844 0 40 CHAB COc1cc2ccccc2cc1C(=O)N(C)Cc1ccco1 14094518 ZLNOGGBPIWVKBX-UHFFFAOYSA-N 295.338 3.714 0 40 CHAB O=C(O)c1cccc(Nc2ccnc3cc(F)ccc23)c1 64874567 NLDGPPILTOTZEC-UHFFFAOYSA-N 282.274 3.816 0 40 CHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1 6623525 JLEZBHUVXRCOFL-UHFFFAOYSA-N 280.371 3.848 0 40 CHAB CC1(C)Cc2ccccc2/C(=C/C(=O)Nc2ccccc2)N1 5843053 MWZHNGWPYAFGRV-ATVHPVEESA-N 292.382 3.591 0 40 CHAB Cc1ccc(Nc2nnc(-c3ccccc3)c(O)n2)cc1C 16806943 JCWXFWBXOLMWGL-UHFFFAOYSA-N 292.342 3.605 0 40 CHAB O=C(Nc1ccc(SCc2cccnc2)cc1)C1CC1 9117666 AXBQIRACHLHLOX-UHFFFAOYSA-N 284.384 3.722 0 40 CHAB COC(=O)[C@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 17024596 VYMQOWPVZHDEOK-AWEZNQCLSA-N 298.382 3.953 0 40 CHAB COc1ccc(NC(=O)c2c(C)cc(C)cc2C)c(OC)c1 17024789 DUCNNWBGUFSCIF-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB COc1ccc2cc(CNCc3ccccn3)ccc2c1 19956913 WHWCAZTXAPJYOZ-UHFFFAOYSA-N 278.355 3.533 0 40 CHAB CC(=O)Nc1ccc(C)cc1OCc1nc2ccccc2o1 95965167 DVINHHGFEXQQOT-UHFFFAOYSA-N 296.326 3.674 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N(C)C2CCCCC2)c1 38754300 VIFKBNUUFWJEHQ-AWEZNQCLSA-N 275.392 3.553 0 40 CHAB O=[S@](Cc1ccccc1)Cc1cccc(OC(F)F)c1 78556019 RYRHOVNXEBDHCK-FQEVSTJZSA-N 296.338 3.737 0 40 CHAB CCN(C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72212705 DSSJXQPTAVBGID-SFHVURJKSA-N 295.430 3.875 0 40 CHAB Cc1nc(-c2ccccc2Cl)cc(C2CCNCC2)n1 72386800 UKXVKRJSNGVXMY-UHFFFAOYSA-N 287.794 3.572 0 40 CHAB CNc1nc(Nc2cccc(C)c2)nc2ccccc12 41146512 PZLKYGDZTWQTGK-UHFFFAOYSA-N 264.332 3.724 0 40 CHAB CCOc1ccc2c(c1)c(CNC(C)C)c(C)n2CC 223769176 GJVQCFVCIARZDX-UHFFFAOYSA-N 274.408 3.866 0 40 CHAB CCc1ccc(CCC(=O)NCC2=CCCCC2)cc1 224595216 YWGSNCOFWWDRST-UHFFFAOYSA-N 271.404 3.798 0 40 CHAB CC(C)NC(=S)Nc1ccc(OC2CCCC2)cc1 44665498 VKDNDKZPHJPCPP-UHFFFAOYSA-N 278.421 3.703 0 40 CHAB Clc1ccc(OC[C@H]2CCNC2)c(-c2ccccc2)c1 42771185 KBIVIDXWOXGZBO-ZDUSSCGKSA-N 287.790 3.995 0 40 CHAB Cc1cc(Br)ccc1NC(=O)N[C@H](C)C(C)C 40023868 AJGRLLGIGUBPKX-SNVBAGLBSA-N 299.212 3.924 0 40 CHAB CC(C)C[C@H](N)C1(c2cc(F)cc(F)c2)CCC1 1772715020 QWHWZSCDSRUGGO-AWEZNQCLSA-N 253.336 3.760 0 40 CHAB CCOC(=O)[C@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 5410803 FLHPYCHSUBYUPD-AWEZNQCLSA-N 284.355 3.992 0 40 CHAB COc1ccc(-c2c(C)nn3c(Cl)cc(C)nc23)cc1 13564271 YXOQSIBEQOIYNL-UHFFFAOYSA-N 287.750 3.675 0 40 CHAB COc1ccc2c(c1)[C@H]1CCCC[C@@H]1SCC2=O 1706548 QFMVPESDGFXAFO-DOMZBBRYSA-N 262.374 3.651 0 40 CHAB O=C(NCC1(c2cccs2)CCCC1)c1ccco1 13803147 OMBXFKVKIMNJCD-UHFFFAOYSA-N 275.373 3.583 0 40 CHAB CN(C(=O)c1cc(N)c(Cl)c(Cl)c1)c1ccccc1 40292375 RQQYNEODHJGIBN-UHFFFAOYSA-N 295.169 3.852 0 40 CHAB CC(=O)OCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 1726039 RWYJEGDSGDASIB-JTQLQIEISA-N 292.766 3.642 0 40 CHAB Cc1cccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1 4138003 KSMYCFYXRUXYLX-UHFFFAOYSA-N 278.355 3.715 0 40 CHAB CCC(C)(C)C(=O)c1ccc(Cl)cc1C(=O)OC 575362012 UVERGCWIBDDNJD-UHFFFAOYSA-N 268.740 3.746 0 40 CHAB C[C@H]1CCCN(C(=O)Nc2cccc(Br)c2)C1 40095242 DUUQTOAGYNJCII-JTQLQIEISA-N 297.196 3.713 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)/C=C/c2ccco2)cc1 20030333 TXSHIFMWAJMICI-OFFHKIPUSA-N 287.384 3.892 0 40 CHAB O=C(c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)C1 35909 VZSUBHVYGNFATK-UHFFFAOYSA-N 294.329 3.506 0 40 CHAB COc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccco1)N2 1141459 ZAYPLRCYKMEKKL-XZJROXQQSA-N 271.316 3.533 0 40 CHAB CC[C@]12CC(=O)CC[C@H]1CCc1ccc(OC)c(OC)c12 1595199 MHYADKSVNGNATR-ACJLOTCBSA-N 288.387 3.667 0 40 CHAB CC[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccccc1 1705442 RWTWECQHRJDJRO-MRXNPFEDSA-N 296.366 3.681 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101290822 OPJVYVKELWZCHS-XOUADPBQSA-N 257.377 3.550 0 40 CHAB FC(F)(F)c1ccc(-c2ccncc2)c(Cl)n1 47212663 DGDHMUCUFITEMA-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB FC(F)(F)c1cnc(-c2cccnc2)c(Cl)c1 47212650 YWCZZOMGJVJWSH-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB Cc1cc(C)cc(O[C@H](C)C(=O)N(C)Cc2ccccc2)c1 8041034 METINHSQGKWJMS-MRXNPFEDSA-N 297.398 3.729 0 40 CHAB O=C(c1ccc(Br)cc1)c1cccc(F)c1F 54188885 ZFXODCOVOBZUDW-UHFFFAOYSA-N 297.098 3.958 0 40 CHAB CCc1c(C)nc2cc(-c3cccc(Cl)c3)nn2c1O 100631539 HKYBDYIVCWUGNW-UHFFFAOYSA-N 287.750 3.626 0 40 CHAB O=C(NCC1CCCCC1)c1cccc(Br)c1 3559983 QMCHRNZNTUTCHF-UHFFFAOYSA-N 296.208 3.759 0 40 CHAB Cc1ccsc1CN(C(=O)Nc1ccccn1)C(C)C 49029333 ZPDZPFZEWVNZJE-UHFFFAOYSA-N 289.404 3.894 0 40 CHAB CC(C)c1ccc(Oc2cc(C(=O)O)ccn2)cc1 19812920 LNMHCPFSEQOLIC-UHFFFAOYSA-N 257.289 3.696 0 40 CHAB in-vitro Clc1ccccc1-n1cc(NCc2ccncc2)cn1 92569044 AJOQHHNNPMTBJL-UHFFFAOYSA-N 284.750 3.533 0 40 CHAB c1ccc(-c2ccc(COC[C@@H]3CCCNC3)cc2)cc1 14631118 SLINNCCMERCMOC-QGZVFWFLSA-N 281.399 3.870 0 40 CHAB Cc1nc2cc(NC(=O)CSc3ccccc3)ccc2o1 15579581 OGAZVZWIXOHPDK-UHFFFAOYSA-N 298.367 3.867 0 40 CHAB CC1CCN(C(=O)[C@H](C)Oc2ccccc2C(C)C)CC1 22533233 VUUUETFKGZGDLR-HNNXBMFYSA-N 289.419 3.836 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1ccc(Cl)cc1F 8075643 OWCDKRXJIBUGCM-VIFPVBQESA-N 253.704 3.774 0 40 CHAB COc1ccc([C@@H]2CCN(c3nc4ccccc4o3)C2)cc1 301126614 OSGPPPUASGKZBV-CQSZACIVSA-N 294.354 3.830 0 40 CHAB Cc1cc(F)ccc1C(=O)c1ccc(F)c(F)c1 55199300 ZTXXQFVIVWEDEZ-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CC[C@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 13708804 HWCVNARIRNTRTI-STQMWFEESA-N 271.360 3.522 0 40 CHAB Cc1ccccc1[C@H](O)c1ccccc1Br 43560668 DDULRUPNYFZANK-AWEZNQCLSA-N 277.161 3.839 0 40 CHAB COC(=O)[C@@H](C)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223193816 DEJUSQISLVHUNU-WDEREUQCSA-N 295.810 3.994 0 40 CHAB Cc1c(CN)c2cc(OC(C)C)ccc2n1CC(C)C 223756479 ADBKVQKJXWNMHY-UHFFFAOYSA-N 274.408 3.852 0 40 CHAB COc1ccc2oc(C(=O)Nc3ccccc3F)cc2c1 41306326 BDZYHMNNRUYAEQ-UHFFFAOYSA-N 285.274 3.833 0 40 CHAB Cc1ccc(OCCNC(=O)c2cc(C)c(C)cc2C)cc1 225649163 GAUHHSHHPRBBKK-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB CCc1ccc(CC(=O)NC(C)(C)Cc2ccccc2)cc1 224993531 JYSINMORPMMKTC-UHFFFAOYSA-N 295.426 3.929 0 40 CHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccccc1F 45954200 SXTXKNSFJDSIII-WFASDCNBSA-N 294.370 3.543 0 40 CHAB C[C@H](CCN(C)Cc1nccn1C(F)F)c1ccccc1 193706216 DPUAVHSMYWURAD-CYBMUJFWSA-N 293.361 3.904 0 40 CHAB O=C(O)[C@H](Cc1ccccc1F)Sc1ccccc1 225052593 BOZBQDIYBDNVKM-AWEZNQCLSA-N 276.332 3.614 0 40 CHAB Cc1cc(C)nc(NC(=S)NCCCc2ccccc2)c1 223962513 DQYQQOWSDBMVME-UHFFFAOYSA-N 299.443 3.618 0 40 CHAB C[C@H](Cc1ccoc1)NC(=O)c1ccccc1C(F)(F)F 84827282 HJFXGFXJONQWEO-SNVBAGLBSA-N 297.276 3.659 0 40 CHAB Cc1cccc2c1N([C@H](C)C(=O)O)C(C)(C)C[C@H]2C 260616313 IKOPQAWXKOTQHL-VXGBXAGGSA-N 261.365 3.560 0 40 CHAB COc1ccc(C(=O)Nc2cc(C)c(C)s2)cc1 1236115 HWEMBMPVENCHDT-UHFFFAOYSA-N 261.346 3.626 0 40 CHAB COc1ccc(CNC2CCCCCC2)c(OC)c1OC 5661307 ATSUQRYSHNJAOK-UHFFFAOYSA-N 293.407 3.525 0 40 CHAB COC(=O)c1ccc(NCc2cccc3[nH]ccc23)cc1 15423588 ABOMLULMSRORKU-UHFFFAOYSA-N 280.327 3.567 0 40 CHAB O=C(O)c1ccc(Nc2ccnc3ccccc23)cc1 15446011 CFLOXQDGUDYNSN-UHFFFAOYSA-N 264.284 3.677 0 40 CHAB C[C@@H](NC(=O)c1cccn1C)c1ccc(C(F)(F)F)cc1 36391515 DGNSAKXVEYGWIK-SNVBAGLBSA-N 296.292 3.535 0 40 CHAB O=C(c1cccs1)N1CCC[C@H]1c1ccsc1 40107724 DYUOTQUSMYNXJL-NSHDSACASA-N 263.387 3.787 0 40 CHAB Cc1nc2ccccc2c(=O)n1-c1cccc2ccccc12 44596 IGXUKOOCDLISLY-UHFFFAOYSA-N 286.334 3.847 0 40 CHAB CC(=O)c1sc(NC(=O)CCC2CCCCC2)nc1C 150860 AHKJOWGJQJYSQZ-UHFFFAOYSA-N 294.420 3.953 0 40 CHAB C[C@]12CCO[C@@H]1N(c1ccccc1)c1ccccc12 264437 LYEMDWOVMXRHTL-DLBZAZTESA-N 251.329 3.842 0 40 CHAB O=C(COc1ccc(Cl)cc1Cl)OC1CCCC1 363865 IRXJMJDEJJVVTO-UHFFFAOYSA-N 289.158 3.858 0 40 CHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)C 138946 KNZOFNZQCGPOCC-UHFFFAOYSA-N 299.157 3.659 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(F)cc2F)c(C)c1 557920 CJNRQJQTLZXZSE-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CC[C@H](CNC(=O)c1sc(C)nc1C)c1ccccc1 32722755 PYSVZTHQXFJBDX-CYBMUJFWSA-N 288.416 3.684 0 40 CHAB C[C@H]1CN(C)C[C@H](C)C1(O)CCc1ccc2ccccc2c1 1425762 KMNOSAADKQHMHJ-HOTGVXAUSA-N 297.442 3.721 0 40 CHAB C[C@H]1CCC[C@@H](n2cnc3cc(C(=O)O)ccc32)[C@@H]1C 3018321 JFJGSDXMDSYRFY-MISXGVKJSA-N 272.348 3.732 0 40 CHAB CCC[C@H](C)NC(=O)CCSc1ccc(C)cc1 6946090 WTQJATWGXQVIQU-ZDUSSCGKSA-N 265.422 3.782 0 40 CHAB O=C(NCc1cccs1)Nc1cccc(Cl)c1 413875 OTHCKXXKXNLPDP-UHFFFAOYSA-N 266.753 3.723 0 40 CHAB COc1ccc(-c2noc(-c3ccccc3F)n2)cc1 515041 DANKTKKLNXAGKW-UHFFFAOYSA-N 270.263 3.551 0 40 CHAB Cc1cccc(NC(=O)Cc2noc3ccccc23)c1C 1018171 ZVXOVTBIZYLHQZ-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB Clc1ccc(OCC[C@@H]2CCCNC2)cc1Cl 42772691 ROFIFPSVRWLKHU-JTQLQIEISA-N 274.191 3.762 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)CNc1ccccc1)C2 100720134 VWXHTADNWYJLIR-DDUZABMNSA-N 287.403 3.857 0 40 CHAB O=C1Nc2cccc(Cl)c2/C1=C/c1ccccc1 1399500 WSCNOXXKBHPAGL-LUAWRHEFSA-N 255.704 3.833 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCC(COc2ccccc2)CC1 55424031 HJANHUDCKGUDBJ-INIZCTEOSA-N 299.414 3.660 0 40 CHAB CCCC[C@H]1OC[C@@]2(COC(C)=O)[C@@H](C)[C@H]1C(C)=C[C@H]2C 100740803 PTOBLQWYQHCBCQ-WTNVTLLGSA-N 294.435 3.973 0 40 CHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101380101 NBDWCOHJPGBZBD-NLRBGTRBSA-N 277.795 3.895 0 40 CHAB CCOc1cc(C(=O)Nc2ccc(C)cn2)cc2occc12 72240129 OUIHUYYUJLJLNH-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB O=C(c1ccc(CN2CCC2)cc1)c1ccccc1Cl 2514629 VNJNAOWJSQIXDU-UHFFFAOYSA-N 285.774 3.777 0 40 CHAB O=C(c1ccc(Br)cc1F)C1CCC1 2514333 VSKSBIGVZUIRIK-UHFFFAOYSA-N 257.102 3.571 0 40 CHAB Cn1c(SCC2CCCCC2)nnc1-c1ccco1 12885172 SQHPWYGSHDYZTF-UHFFFAOYSA-N 277.393 3.748 0 40 CHAB C[C@@H]1CCCCN1C(=O)Nc1ccccc1Br 13746090 QKJLRLQAYBRKFX-SNVBAGLBSA-N 297.196 3.855 0 40 CHAB Cc1ccc2c(CN3C[C@@H](C)C[C@H](C)C3)cc(=O)oc2c1C 5252578 VGENLWPZZMPKNW-STQMWFEESA-N 299.414 3.888 0 40 CHAB biogenic Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NC(C)C)c1 14231373 UTDXKXZCUBCQDK-UHFFFAOYSA-N 295.382 3.673 0 40 CHAB O=C(Cc1ccsc1)N[C@@H]1CCSc2ccccc21 6652210 GKFCXQJPOHZKCN-CYBMUJFWSA-N 289.425 3.644 0 40 CHAB C[C@H]1CCCN(c2ccc(N)cc2C(F)(F)F)C1 8701200 KOUNVVKHAWBBIZ-VIFPVBQESA-N 258.287 3.524 0 40 CHAB O=Cc1ccc(-c2ccc(F)cc2Br)o1 8729746 DBAQZRAOWBTLPO-UHFFFAOYSA-N 269.069 3.661 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 7811362 QMMOLIBYCUKGHP-RYUDHWBXSA-N 294.826 3.565 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 7811360 QMMOLIBYCUKGHP-TXEJJXNPSA-N 294.826 3.565 0 40 CHAB C[C@@H](O)c1cccc(NCc2ccc3cc[nH]c3c2)c1 83492987 YYJJASJTVBDGTM-GFCCVEGCSA-N 266.344 3.833 0 40 CHAB Cc1ccc([C@@H](C)NCc2cccc(CO)c2)c(C)c1 95421977 AMATZJLJULKYJR-OAHLLOKOSA-N 269.388 3.647 0 40 CHAB S=c1[nH]c2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1 73636079 PMULPJVHKYMKKZ-UHFFFAOYSA-N 266.329 3.769 0 40 CHAB CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(N)ccc21 38478277 LHTXTTOUBQINDT-UHFFFAOYSA-N 296.370 3.718 0 40 CHAB CC[C@@H]1c2ccsc2CCN1Cc1ccncc1 72350996 UYATWASYAAIBPJ-CQSZACIVSA-N 258.390 3.653 0 40 CHAB CCCCO[C@@H](COC)c1ccc(Br)cc1 72220321 JCVYUWOTXQWERP-ZDUSSCGKSA-N 287.197 3.953 0 40 CHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](C)C1 38755562 YAVWVRWGCYMUBL-SWLSCSKDSA-N 295.810 3.756 0 40 CHAB Cc1cc(-c2cccc(F)c2)ncc1Br 536954955 SNPJXNWFYDSODG-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB CCc1ccc(-c2[nH]ncc2C(=O)NC2CCCCC2)cc1 71768900 BASVOXVUCVERGH-UHFFFAOYSA-N 297.402 3.702 0 40 CHAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1 33145295 PIUMUVRWYUEXOP-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB Cc1cc(C)cc(CN(C)[C@@H](C)c2nnc(C)s2)c1 225772767 KYGJCBHDHNNBNV-LBPRGKRZSA-N 275.421 3.656 0 40 CHAB Fc1ccc(-c2[nH]c(=S)[nH]c2-c2ccccn2)cc1 90558170 GZYUADZOKFEJFZ-UHFFFAOYSA-N 271.320 3.940 0 40 CHAB O[C@@H]1CC2(CCC2)Sc2ccc(Br)cc21 238708935 BKPAIHVMSQTRNN-SNVBAGLBSA-N 285.206 3.901 0 40 CHAB S=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2CC[C@H]1C2 254302899 LXBJMJNIMDMNNW-KWBADKCTSA-N 280.824 3.815 0 40 CHAB O=C(c1c[nH]c2cccc(C(F)(F)F)c12)C(F)(F)F 725239326 MLYARLBDFDNURL-UHFFFAOYSA-N 281.155 3.932 0 40 CHAB COC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 72305063 KLBVSPDAJFFKBJ-MRXNPFEDSA-N 254.329 3.576 0 40 CHAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OC 574850 WVNRPBFHXPEKCZ-GXDHUFHOSA-N 295.338 3.587 0 40 CHAB c1ccc(Nc2ncnc3c2ncn3-c2ccccc2)cc1 13824421 UKZXHZUTIYUUII-UHFFFAOYSA-N 287.326 3.559 0 40 CHAB in-vivo Cn1ccc([C@H]2CCCCCN2Cc2ccccc2F)n1 19291092 VQVKFFMMFXKUPK-QGZVFWFLSA-N 287.382 3.677 0 40 CHAB COc1c(Br)cc(F)cc1C(F)(F)F 169796846 GRRXFNIGGMDNAA-UHFFFAOYSA-N 273.023 3.616 0 40 CHAB CCOC(=O)/C=C(C)/C=C/c1c[nH]c2ccccc12 1762402 ZQHPVJWRNLWQIB-CDKJVOIVSA-N 255.317 3.691 0 40 CHAB Cc1ccccc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1 20137397 OUYSCCAMDYYQIG-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB COc1ccc(-c2ncncc2-c2ccccc2)c(O)c1 13126701 SNBGSXSYSDPFBZ-UHFFFAOYSA-N 278.311 3.525 0 40 CHAB CCCCNc1c(Cl)c(Cl)nc(Cl)c1C(=O)O 4573221 UUDQOMGCBJQENW-UHFFFAOYSA-N 297.569 3.952 0 40 CHAB Cc1cc(C)c2sc(NC(=O)CC3CCCC3)nc2n1 11666319 JDIYJZDAEYYAIA-UHFFFAOYSA-N 289.404 3.827 0 40 CHAB CC(=O)c1cccc(NC(=O)c2c(C)[nH]c3ccccc23)c1 30057144 GJQARSZZZJGTOW-UHFFFAOYSA-N 292.338 3.931 0 40 CHAB O=C(CSc1ccccc1)Nc1ccc(F)cc1 287982 BZOQHGJUFYYMFB-UHFFFAOYSA-N 261.321 3.557 0 40 CHAB Cc1cc(C)c(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)c(C)c1 209861 WGLNNOJWSJRDPR-HUUCEWRRSA-N 295.448 3.563 0 40 CHAB COc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1OC 112191 IXQMMOVJYIPYQH-UHFFFAOYSA-N 296.326 3.729 0 40 CHAB O=C(Cc1ccccc1F)Nc1ccccc1Cl 2648914 WCHQWAVDIVNTOO-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB CCC(=O)Oc1cc(Cl)c(Cl)cc1Cl 1687372 BUNPMPBRNKOVHQ-UHFFFAOYSA-N 253.512 3.962 0 40 CHAB COc1ccc2nc(NC(=O)CC3CCCC3)sc2c1 3479332 YTHAGXLYEITORZ-UHFFFAOYSA-N 290.388 3.824 0 40 CHAB COc1ccc2oc(C)c(C(=O)c3ccccc3)c2c1 478465 IBDOOOQLYBYMIV-UHFFFAOYSA-N 266.296 3.981 0 40 CHAB O=C(O)c1cc2c(cc(Br)c3ccccc32)[nH]1 6658249 DMWBHGGDWOTVLY-UHFFFAOYSA-N 290.116 3.782 0 40 CHAB Cc1cccc2sc(NC(=O)c3ccccc3O)nc12 22024773 GMBYMSZAARZOTG-UHFFFAOYSA-N 284.340 3.563 0 40 CHAB O=c1[nH]c(C2CCCCC2)nc2ccc(Cl)cc12 8655989 GINVXGSOAIDYEN-UHFFFAOYSA-N 262.740 3.624 0 40 CHAB OCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 8701628 WOUBLGRNDINCJL-UHFFFAOYSA-N 271.747 3.835 0 40 CHAB O=C(Nc1ccccc1Br)c1cccs1 2751862 WZGIIEPVIPGJHL-UHFFFAOYSA-N 282.162 3.763 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1N 57340407 IHUOMGVKNRYLPR-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CCC(=O)Oc1ccc2c(C)c(CC(C)C)c(=O)oc2c1 3154096 RSUUOTDZFQHFRX-UHFFFAOYSA-N 288.343 3.615 0 40 CHAB Cc1c2c(nc3ccccc13)CN(Cc1ccccc1)C2=O 12505684 WKRTVONHHXJBQT-UHFFFAOYSA-N 288.350 3.699 0 40 CHAB O=C(C1CC1)N1CCc2sccc2[C@@H]1c1ccccc1 25896569 YOLQJLUPMNUCNZ-INIZCTEOSA-N 283.396 3.632 0 40 CHAB c1ccc(CSCc2cn3ccsc3n2)cc1 3226015 GVBXFVDONRZCQG-UHFFFAOYSA-N 260.387 3.829 0 40 CHAB CCCCN(CC)c1ncnc2sc(C)c(C)c12 3255110 DADHSQSRWRTKOK-UHFFFAOYSA-N 263.410 3.935 0 40 CHAB O=C(NCc1coc(-c2cccs2)n1)Nc1ccccc1 12742893 ROCXSRPWCNADNP-UHFFFAOYSA-N 299.355 3.725 0 40 CHAB O=C(Nc1ccccc1F)N1CCCCCCC1 12853152 ZYDKFYOOHIXNCB-UHFFFAOYSA-N 250.317 3.624 0 40 CHAB CCCCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 6310101 XKZPDRCHLWRNIT-UHFFFAOYSA-N 283.799 3.804 0 40 CHAB C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1 5322543 VXUBAPILIIDSCR-LLVKDONJSA-N 282.318 3.798 0 40 CHAB COc1cc(C(=O)Nc2ccc(C)cc2)cc(Cl)c1O 14180535 VCQJVEUUSNKKSG-UHFFFAOYSA-N 291.734 3.615 0 40 CHAB CC(C)N1C(=O)S/C(=C/c2ccccc2Cl)C1=O 4668661 GQYUXWMWNQYWKY-YRNVUSSQSA-N 281.764 3.785 0 40 CHAB CCOC(=O)c1ccc(OCc2cccc(F)c2)cc1 60386454 MQTQNJGUDXYPEA-UHFFFAOYSA-N 274.291 3.581 0 40 CHAB CCCCc1c(C)nc2ccccc2c1SC(=N)N 5808089 WEHZGNMNLJTNKX-UHFFFAOYSA-N 273.405 3.871 0 40 CHAB CC(C)(C)C[C@H](NCc1ncc[nH]1)c1ccc(F)cc1 67693115 JDSWBPLNLDHNQL-AWEZNQCLSA-N 275.371 3.816 0 40 CHAB O=C(Nc1ccc(OC(F)F)cc1)c1c(F)cccc1F 7407100 GJMSUNBDBUQWDV-UHFFFAOYSA-N 299.223 3.819 0 40 CHAB Nc1cc(Cl)ccc1NC(=O)c1ccccc1Cl 20344140 LPVFESUMQWDZEF-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CC(C)SCc1cccc(NCc2nccn2C)c1 95429269 MIHUQRYSULDJEK-UHFFFAOYSA-N 275.421 3.674 0 40 CHAB Cc1nc(C)c(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)o1 74081676 VGSCKXDGSMQGIW-CYBMUJFWSA-N 290.750 3.532 0 40 CHAB COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cccc(Cl)c1 95976355 FYPFAQHQWKPDAJ-GDBMZVCRSA-N 295.810 3.552 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1cccc(C)c1 55199487 AUJGDPRRWMKWCH-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB Cc1cccc(NC(=O)C2(c3cccc(Cl)c3)CC2)n1 30557368 KXWFHMAQJHQNTE-UHFFFAOYSA-N 286.762 3.714 0 40 CHAB CCc1ccc(NC(=O)NCc2ccccc2F)cc1 31723438 GMDCUGKJTUUBDC-UHFFFAOYSA-N 272.323 3.710 0 40 CHAB Cc1cc(C)c2oc(N3CCC[C@@H]3c3cc[nH]n3)nc2c1 519578742 HALLTRQFRICWLE-CQSZACIVSA-N 282.347 3.509 0 40 CHAB CC(=O)N1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214072 VHUGBFNKVPUDHW-INIZCTEOSA-N 281.359 3.509 0 40 CHAB CCCCN1CCC[C@@H]1c1cnc(Cl)c(C)c1 72217785 VPFQJANWZRRKAB-CYBMUJFWSA-N 252.789 3.980 0 40 CHAB Cc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72211286 UUGWLOVLIBPQGF-KRWDZBQOSA-N 296.370 3.864 0 40 CHAB C[C@H](c1ccc(F)cc1)[S@](=O)Cc1cccc(F)c1 78556133 HNPPDHZNYINYHN-WYRIXSBYSA-N 280.339 3.975 0 40 CHAB Cc1ccc(C)c(OCc2ccc(C(=O)N3CCCC3)o2)c1 32610807 UONXOSCYDJYTRP-UHFFFAOYSA-N 299.370 3.711 0 40 CHAB COC(=O)c1cnc(SC2CCCCC2)c(C)c1 72222784 HGILWGXWMRCCGN-UHFFFAOYSA-N 265.378 3.601 0 40 CHAB CCN(C)c1ccc([C@H]2CCCCN2CC(C)C)cn1 72212739 OGMORFPQSNTMLI-MRXNPFEDSA-N 275.440 3.721 0 40 CHAB Cc1nc(NC(C)(C)C)ccc1[C@@H](N)c1ccccc1 72225023 ZSYPNXJCFCAXMO-INIZCTEOSA-N 269.392 3.649 0 40 CHAB Fc1ccc(NC(=S)NCCSC2CCCC2)cc1 225461987 WJTJHLQUQYHJEI-UHFFFAOYSA-N 298.452 3.788 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)c1 13945750 OHCYSHXZEYXDKY-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB C[C@H](NC(=O)c1ccc2[nH]c(Cl)nc2c1)c1ccccc1 225977535 PGXSJMDGUZFNOK-JTQLQIEISA-N 299.761 3.707 0 40 CHAB COc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641139 IRQLOOJLZIBQOA-UHFFFAOYSA-N 291.391 3.537 0 40 CHAB Clc1cc(Cl)c(O[C@@H]2CCCNC2)cc1Cl 42776150 WVGAVWOXADKOFA-SSDOTTSWSA-N 280.582 3.778 0 40 CHAB COc1cc2c(cc1OC)C(C)(C)CN[C@H]2c1ccccc1 41498081 CSBSKOYHZJQRMM-SFHVURJKSA-N 297.398 3.674 0 40 CHAB Cc1cc(Br)cnc1NC1CCCC1 42783962 KPHMNDOUIHBQCV-UHFFFAOYSA-N 255.159 3.507 0 40 CHAB c1cnc2sc(CN3CCC[C@@H]3C3CCCC3)nc2c1 89807768 IUJIWSLYCNAMTN-CQSZACIVSA-N 287.432 3.846 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NC2CCCCC2)c(C)c1 7040698 HLCONADIORYDGT-CQSZACIVSA-N 275.392 3.520 0 40 CHAB Cc1nc(C)c(C(=O)OCc2cccc3cccnc23)s1 11291607 RFFKTFZGJLGOAA-UHFFFAOYSA-N 298.367 3.665 0 40 CHAB O=Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 16401330 DYLHFWYJRDXQQJ-UHFFFAOYSA-N 257.676 3.961 0 40 CHAB FC(F)(F)c1ccc(NC(=S)Nc2cccnc2)cc1 17024214 OHTOFRATJBAUQJ-UHFFFAOYSA-N 297.305 3.909 0 40 CHAB CCCCNc1ncnc2c1cnn2-c1ccc(C)c(C)c1 17270431 IELSWKVRQRKKJI-UHFFFAOYSA-N 295.390 3.644 0 40 CHAB CSc1ccccc1NCC(=O)Nc1ccccc1C 9157401 NWACIGHBARVMSV-UHFFFAOYSA-N 286.400 3.768 0 40 CHAB N[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCCCC1 20260299 ARKAXDRQVKGTDS-OALUTQOASA-N 280.415 3.914 0 40 CHAB COC(=O)c1ccccc1N[C@@H]1CCc2ccccc21 35682878 YEQKJKXZIZVKIG-MRXNPFEDSA-N 267.328 3.573 0 40 CHAB COc1ccc(C(=O)c2c(F)cccc2Cl)cc1 36941982 FJWBYYXETCEDRA-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB O=C(c1ccco1)N(Cc1cccc2[nH]ccc12)C1CC1 32073522 ZYDSRDBVUXLOGU-UHFFFAOYSA-N 280.327 3.566 0 40 CHAB CCN(CC)C1=NC=CC(c2ccccc2)=C[C@@H]1C 343278 HBBYVYNODQXLEK-AWEZNQCLSA-N 254.377 3.974 0 40 CHAB O=C(Nc1scnc1-c1ccccc1)C1[C@@H]2CCC[C@@H]12 102022122 LQGLETKXZIQMLQ-VXGBXAGGSA-N 284.384 3.795 0 40 CHAB Clc1ccc(-c2nnc3cccc(Cl)n23)cc1 91092 SETIHJVOUJAFPO-UHFFFAOYSA-N 264.115 3.703 0 40 CHAB CSc1nc(NCc2ccccc2)c2ccccc2n1 274070 LDAGQNZHCDBVNA-UHFFFAOYSA-N 281.384 3.964 0 40 CHAB CCCc1nc(CSc2nc(C(C)(C)C)n[nH]2)cs1 32778637 CUEISXSHACBZFH-UHFFFAOYSA-N 296.465 3.804 0 40 CHAB CCN(CC)C[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1671246 AJVAWAZHINELBV-RBUKOAKNSA-N 283.415 3.846 0 40 CHAB O=C(c1ccc2ccccc2c1)N1CCCc2ncccc21 32882840 KZUHGKFUVDRPGF-UHFFFAOYSA-N 288.350 3.828 0 40 CHAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)o1 32922712 SIPMVRZJANBHTF-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB Cc1nn(C(=O)CCc2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 485986 WTJVTHPFXIYQHY-RDTXWAMCSA-N 294.398 3.760 0 40 CHAB biogenic COc1ccc(CC(=O)Nc2ccc(SC)cc2)cc1 7614470 ZBNLTWNEHCRLIN-UHFFFAOYSA-N 287.384 3.598 0 40 CHAB CN(C(=O)/C=C/c1ccc(F)cc1)C1CCCCC1 12404069 CEKJUVZYSTVTAL-FMIVXFBMSA-N 261.340 3.630 0 40 CHAB COc1ccccc1-c1cc(O)n(-c2ccc(C)c(C)c2)n1 9937214 SVPMCDSKNNAQPS-UHFFFAOYSA-N 294.354 3.870 0 40 CHAB CC1CCN(C(=O)[C@H](C)SCc2ccccc2)CC1 20238705 REFGQUMPKCJMHM-AWEZNQCLSA-N 277.433 3.567 0 40 CHAB O=C(O)CCCCCC(=O)c1cc(F)c(F)cc1Cl 43214184 LJMWUUBWEKUTJF-UHFFFAOYSA-N 290.693 3.836 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1c(F)cccc1F 55527438 HDHBTWHTBUZQQN-LLVKDONJSA-N 269.335 3.911 0 40 CHAB CC1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1773851 DCFWAEJJCGQMCQ-UHFFFAOYSA-N 295.810 3.758 0 40 CHAB COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1Cl 12628513 LGHXKHCPZHHURE-WQLSENKSSA-N 285.730 3.841 0 40 CHAB C[C@H](C1CCCCC1)[C@@](C)(CCC(=O)O)CC(=O)O 2204671 HAYNPIYDTMTGOL-ABAIWWIYSA-N 270.369 3.549 0 40 CHAB CC1CCN(c2nc(Cl)nc3ccccc23)CC1 11756100 IVXIVJCXRJVQTI-UHFFFAOYSA-N 261.756 3.520 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 3454981 MAPCDSWAEFTVIT-BLLLJJGKSA-N 251.329 3.948 0 40 CHAB aggregator O=C(c1ccc(C(F)(F)F)c(Cl)c1)C(F)F 309203059 ZFGBFMYONJIEBW-UHFFFAOYSA-N 258.573 3.807 0 40 CHAB OCCCc1nc2ccccc2n1C/C=C/c1ccccc1 13581633 CTDUWSLCSPVPAO-UXBLZVDNSA-N 292.382 3.675 0 40 CHAB CC(C)Cc1nn2cc(-c3ccc(F)cc3)nc2s1 5182394 UREIQMOYMIIKCS-UHFFFAOYSA-N 275.352 3.795 0 40 CHAB Cc1nc(SCC2CCCCC2)c(C(N)=O)c(C)c1C 14200722 DWOMLNXZYSNNLN-UHFFFAOYSA-N 292.448 3.778 0 40 CHAB CC(C)NC(=S)Nc1ccccc1Cc1ccccc1 6538641 DGTKANDBWBRTCF-UHFFFAOYSA-N 284.428 3.972 0 40 CHAB Cc1ccsc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 14575399 GYYSMYNDRJEGST-VIFPVBQESA-N 281.327 3.826 0 40 CHAB COC(=O)Nc1cc(NC(=O)C2CCCCC2)ccc1F 66489658 JVPKNQCFPZRPNO-UHFFFAOYSA-N 294.326 3.523 0 40 CHAB Cc1cc(-c2csc(N)n2)c(C)n1Cc1cccs1 8656691 JHWJULCZEUWXKW-UHFFFAOYSA-N 289.429 3.920 0 40 CHAB N[C@@H](Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 82434323 DKEUCALWXMZEBF-LESVLKBLSA-N 255.405 3.773 0 40 CHAB C[C@@H](CC(=O)N(Cc1cccnc1)C1CC1)c1ccccc1 72747833 LBLHLQOYWLQGPR-HNNXBMFYSA-N 294.398 3.766 0 40 CHAB CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccsc2)C1 95411113 PTTZMXWKFRYKDA-STQMWFEESA-N 298.477 3.564 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(F)cc1)C(C)(C)c1ccccc1 75582590 YHMGVVHEHKIVSN-CQSZACIVSA-N 299.389 3.851 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CC[C@@H]1CCCCN1 211625936 RMFTVQFBERWPGY-LSDHHAIUSA-N 296.455 3.698 0 40 CHAB C[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)cs2)C1 72259968 KCSXXIUZQJPPSR-LLVKDONJSA-N 275.373 3.880 0 40 CHAB CCOc1ccc(NC(=O)c2ccc3[nH]c(C)nc3c2)cc1 32501676 LMHSPIUHEVZLMA-UHFFFAOYSA-N 295.342 3.522 0 40 CHAB CCc1ccccc1NCc1cccc(C(=O)O)c1 41570562 HZIIQYWFCKCCOK-UHFFFAOYSA-N 255.317 3.559 0 40 CHAB Cc1cccc(O[C@@H](Cc2cccc(C)c2C)C(=O)O)c1 225022028 DUQJUWURIRVNPA-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB COc1ccc(C(=O)CCC(=O)c2cccs2)cc1 196035506 HNLVUNHOUIJRJY-UHFFFAOYSA-N 274.341 3.603 0 40 CHAB CC(C)(C)CNC(=S)Nc1ccc2sncc2c1 225214440 CPOMDIKIVSZRGH-UHFFFAOYSA-N 279.434 3.629 0 40 CHAB COc1ccccc1Cc1nc2cc(C)ccc2o1 228956264 XKTVJGXTLYHDDC-UHFFFAOYSA-N 253.301 3.736 0 40 CHAB CCCCOc1ncc(NC(=O)C(C)(C)C)cc1C 225879913 CDEKHFRFXWJQEU-UHFFFAOYSA-N 264.369 3.554 0 40 CHAB CCCNCc1c(C)n(CCC)c2ccc(O)cc12 223765350 YFZGEBGGACSCGU-UHFFFAOYSA-N 260.381 3.565 0 40 CHAB Cc1ccc(O[C@H](Cc2cccc(C)c2C)C(=O)O)cc1 225022167 LENSZDHAAMFNIS-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB c1ccc2c(c1)CCC[C@H]2Cc1nc(-c2cncs2)no1 333210026 POPTWLAYOIIBNB-LBPRGKRZSA-N 297.383 3.856 0 40 CHAB O=Cc1ccc(COCC2CCCCC2)c(F)c1 95738705 DAQYSRXVCYQTSM-UHFFFAOYSA-N 250.313 3.735 0 40 CHAB CSCc1cccc(NC(=O)N(C)[C@@H](C)CSC)c1 96413412 NDEFIHXRVGRIKR-NSHDSACASA-N 298.477 3.765 0 40 CHAB O=S(=O)(CCCCCF)c1cccc(C(F)(F)F)c1 252479810 BMZZSUQKVHBHCI-UHFFFAOYSA-N 298.301 3.619 0 40 CHAB COc1cccc(C(=O)c2c(F)cccc2Cl)c1 95917144 NXIJAUDGRLVRIU-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CCOC(=O)c1ccc(Oc2ccc(C)cc2)cc1 95915990 KPLOREIIIAUSSX-UHFFFAOYSA-N 256.301 3.964 0 40 CHAB O=C(Nc1nccs1)c1cccc(Oc2ccccn2)c1 96122676 REVBKHFIBAZSOL-UHFFFAOYSA-N 297.339 3.583 0 40 CHAB Cc1ncc(-c2ccc(C(F)(F)F)cc2CO)s1 665211258 PZDBKMUKSABASW-UHFFFAOYSA-N 273.279 3.630 0 40 CHAB Cc1n[nH]c(C)c1-c1cc2c(c(C(F)(F)F)c1)OCCN2 854177234 TZCSAUSQSHQXBH-UHFFFAOYSA-N 297.280 3.517 0 40 CHAB CCOC(=O)/C=C/c1ccc(Br)c(Cl)c1 169797144 CPPYEUXVQJKDCY-GQCTYLIASA-N 289.556 3.679 0 40 CHAB COc1ccc(Cl)c(NC(=O)CCCOc2ccc(Cl)cc2C)c1 97371131 JMTKTTABRFRNOL-GDAOTKPNSA-N 368.260 5.108 0 40 CHAB CNC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl 5424220 GIZWOXRSBYORRT-UHFFFAOYSA-N 290.171 3.576 0 40 CHAB CCc1ccc(NC(=O)NCc2ccccc2)cc1 5471081 ZAVIJVOQMLBDPY-UHFFFAOYSA-N 254.333 3.571 0 40 CHAB c1ccc(CSc2nc(Cc3cccs3)n[nH]2)cc1 11599879 VAJOWPGZYSUQCC-UHFFFAOYSA-N 287.413 3.749 0 40 CHAB c1csc(-c2[nH]c3ncccc3c2CN2CCCC2)c1 12337229 NZVDITOCDMUTLG-UHFFFAOYSA-N 283.400 3.887 0 40 CHAB COc1ccccc1NC(=O)N(C)[C@H](C)c1ccccc1 18180969 RWKSJRJVCWAYBT-CYBMUJFWSA-N 284.359 3.920 0 40 CHAB Cc1cc([C@@H]2CCCCCN2Cc2cccc(C)n2)on1 19236252 VVLSVDXCHOUFTC-INIZCTEOSA-N 285.391 3.804 0 40 CHAB O=C(c1cccs1)N1CCS[C@H](c2ccco2)CC1 207008605 MDIHJDSTZPOALN-LBPRGKRZSA-N 293.413 3.662 0 40 CHAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1CC1 4062986 HLQGCOPBHJBWMF-UHFFFAOYSA-N 295.367 3.707 0 40 CHAB C/C=C/C=C/C(=O)N[C@H](C)c1ccc(SC)cc1 40090513 VZZRUHKMDUTYDE-RKOMOGNESA-N 261.390 3.718 0 40 CHAB Cc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1C 189321 SHCJDAVAQDDRHF-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1F 51971061 JPJLYIZLSBBOKF-UHFFFAOYSA-N 297.688 3.857 0 40 CHAB Cc1cc(C)n2cc(CNc3ccc(Cl)cc3)nc2n1 564636 WIUOIYOSHQXSMM-UHFFFAOYSA-N 286.766 3.612 0 40 CHAB C[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)(F)F)cc1 46736268 PEQDCWFGJKMNFL-VIFPVBQESA-N 299.248 3.669 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1C 32753705 OBDYZUARFZNWRI-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C(=O)c1ccccc1 1719614 WBMULNOFMGKWPA-CWRNSKLLSA-N 288.387 3.873 0 40 CHAB biogenic,in-vitro O=C(O)CCCCCCC(=O)c1cc(F)cc(F)c1 2378684 SWLCKNFJWOPORP-UHFFFAOYSA-N 270.275 3.573 0 40 CHAB Cc1nc(/C=C/C(=O)N(Cc2ccccc2)C2CC2)cs1 32908730 BBSNLKZUEQALHD-JXMROGBWSA-N 298.411 3.656 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 4743888 QGXBDMJGAMFCBF-XRJZGPCZSA-N 290.447 3.959 0 40 CHAB endogenous,world O=C(CCSCc1ccccc1)NC1CCCCC1 7685704 IMALZVMDMFSACS-UHFFFAOYSA-N 277.433 3.759 0 40 CHAB CCOc1ccccc1NC(=O)c1ccc(C)cc1C 557901 YOVHCYVZNIFLIX-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCCC[C@@H](CC)C(=O)N1CCN(c2ccccc2)CC1 2737770 FGRKJHNXUMUNTM-MRXNPFEDSA-N 288.435 3.552 0 40 CHAB Cc1nc(CSCc2ccccn2)sc1C 97037590 RVAIPJUPZGVLNN-UHFFFAOYSA-N 250.392 3.588 0 40 CHAB C[C@@H](NC(=O)c1cc2ccccc2[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 105875853 KJAIHCHTYYYKCX-OSFYFWSMSA-N 282.387 3.722 0 40 CHAB CCCCN(CC)C(=O)Cc1c(C)[nH]c2ccc(F)cc12 24551982 BJWQIUNPCHJKCS-UHFFFAOYSA-N 290.382 3.807 0 40 CHAB O=C(NCCSCc1cccc(Cl)c1)c1ccco1 24613769 OOODIOOQHUPJIL-UHFFFAOYSA-N 295.791 3.596 0 40 CHAB O=C1[C@@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1[C@H]2c1ccccc1 104031936 HRLRAZZTFFAGBS-QLCXLMDBSA-N 284.399 3.691 0 40 CHAB CC(C)C(=O)NCC(C)(c1ccccc1)c1ccccc1 26455532 IANLLPGOBGGLOW-UHFFFAOYSA-N 281.399 3.765 0 40 CHAB Cc1c(C)c2ccc3c(c2oc1=O)CN(C1CCCC1)CO3 57405753 SKCHFLOGFAJKEJ-UHFFFAOYSA-N 299.370 3.504 0 40 CHAB Cc1ccccc1-c1nc(Cl)nn1-c1ccccc1 22125656 XDVNAQZEOWDXJT-UHFFFAOYSA-N 269.735 3.896 0 40 CHAB CC[C@H](NC(=O)c1ccccc1OC)c1ccc(OC)cc1 21836345 JJBDDQUJWHUNRN-INIZCTEOSA-N 299.370 3.585 0 40 CHAB O=C(NCc1ccc(F)cc1)c1c(F)cccc1Cl 3375734 VVUQGPJVMLAORG-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 58512921 VMYTXBKVYDESSJ-OMWFQVSUSA-N 288.431 3.879 0 40 CHAB COc1ccc(Nc2nc(Cl)cc(Cl)n2)cc1 12741221 PECXBVRBVFBWOE-UHFFFAOYSA-N 270.119 3.536 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1Br 3621494 CYNDPQIFBMMXGW-GWCFXTLKSA-N 296.208 3.758 0 40 CHAB Cc1ccc2c(CN3C[C@@H](C)C[C@@H](C)C3)cc(=O)oc2c1C 5252569 VGENLWPZZMPKNW-BETUJISGSA-N 299.414 3.888 0 40 CHAB biogenic CC(C)c1noc(CN[C@@H](C)c2ccccc2Cl)n1 65606540 MJEKGRUNTSSWHS-JTQLQIEISA-N 279.771 3.697 0 40 CHAB c1ccc(Oc2ccc(OCC3CCNCC3)cc2)cc1 14631462 YSCXMANXVZECOG-UHFFFAOYSA-N 283.371 3.857 0 40 CHAB CSc1ccccc1NC(=O)c1cc(F)cc(F)c1 7264847 NFAHFJIOWQNPSY-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1C 20025536 RQYWHVMZEOCCOJ-CYBMUJFWSA-N 299.370 3.503 0 40 CHAB CN(C(=N)N)c1ccc(/C=C2\C=Cc3ccccc32)cc1 19927774 YIURGICSUXDEDR-NTCAYCPXSA-N 275.355 3.584 0 40 CHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCCCCC1 72710249 IZJPAHOELBMEGD-LLVKDONJSA-N 277.393 3.735 0 40 CHAB CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccsc2)C1 95411115 PTTZMXWKFRYKDA-OLZOCXBDSA-N 298.477 3.564 0 40 CHAB C[C@H](NCc1ccnc2[nH]ccc12)c1ccc(F)cc1F 95462179 HBYXFOCJWWYYKN-JTQLQIEISA-N 287.313 3.692 0 40 CHAB CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)[C@H](C)CC)c1 95967325 ATOQZLBCFDQYGP-QLFBSQMISA-N 290.451 3.739 0 40 CHAB CN(C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1)C1CCC1 74893384 YOSNGDXJSNLHEL-OAHLLOKOSA-N 294.345 3.610 0 40 CHAB CC(C)(C)c1nc(CNc2ccccc2CO)cs1 89725264 ZZYGTEQBTQZGKU-UHFFFAOYSA-N 276.405 3.545 0 40 CHAB CC(C)[C@@H](C)NCc1cccc(Br)c1 20305328 NCJMGRHWPYUJSJ-SNVBAGLBSA-N 256.187 3.583 0 40 CHAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1cc2ccccc2o1 39560681 PYMGIIVMZBXUFD-YQQAZPJKSA-N 298.430 3.643 0 40 CHAB biogenic,in-vitro CCCN[C@@H](c1cccnc1)c1ccc(F)c(C)c1 37762131 GMWHHVFUOYFQOD-MRXNPFEDSA-N 258.340 3.618 0 40 CHAB in-vitro CCCN1CCCC[C@@H]1c1ccc(NC2CC2)nc1 72213796 IIJCTIFSMHHDPY-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB COC(=O)/C=C/c1cccc(OCc2ccc(C)cc2)c1 216894621 SQBUYDSRMPWHJL-ZHACJKMWSA-N 282.339 3.760 0 40 CHAB CCn1nc(C)c2nc(C(C)C)nc(NC3CCCC3)c21 72238331 MOBCZFNUSOLSEW-UHFFFAOYSA-N 287.411 3.633 0 40 CHAB COc1ccc(-c2nnc(-c3ccccc3)s2)cc1 32267299 QFLSETURCVKOGF-UHFFFAOYSA-N 268.341 3.881 0 40 CHAB O[C@@H](c1ccc(Br)cc1)C1CCCC1 32108448 DXVNEJUGPLMNAI-GFCCVEGCSA-N 255.155 3.673 0 40 CHAB Cc1ccc(CN(C)C(=O)/C=C/c2ccc(F)cc2)cc1 30752857 WVZMDHXWSLWMJE-FMIVXFBMSA-N 283.346 3.806 0 40 CHAB CCCN1CCC[C@H]1c1cccnc1NCC(C)C 72213256 RQCYYUSWBMBGSB-HNNXBMFYSA-N 261.413 3.696 0 40 CHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2C)c1 41091159 ZFDLTMOHHAKRJQ-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB COc1ccc(C(=O)c2c[nH]c3ccc(F)cc23)c(OC)c1 228931026 BTGYTNSGPGUDMG-UHFFFAOYSA-N 299.301 3.555 0 40 CHAB CCCCc1ccc(C(=O)c2cccc(OC)n2)cc1 45028745 YVMNMUQDDFLAQV-UHFFFAOYSA-N 269.344 3.664 0 40 CHAB Cc1c(CNC(C)C)c2cc(O)ccc2n1CC(C)C 223768618 FYHCJVNUYAGWRA-UHFFFAOYSA-N 274.408 3.809 0 40 CHAB CCc1ccc([C@H](C)N[C@H](CC)c2c(C)nn(C)c2C)o1 133848052 OPSAMYKIPSLRIM-XHDPSFHLSA-N 289.423 3.994 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225169283 AKLOEFCTUBRSNM-KGLIPLIRSA-N 289.419 3.638 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223887777 IDPQWRLMWCXVAC-UONOGXRCSA-N 289.419 3.638 0 40 CHAB O=c1c(CNc2ccc(F)cc2)coc2ccccc12 96137246 LJEMTAHIRUAZLZ-UHFFFAOYSA-N 269.275 3.544 0 40 CHAB CC(C)COc1cc(Br)cc(F)c1F 95915373 BMNOLJYXDCCOSB-UHFFFAOYSA-N 265.097 3.762 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1ccc(F)c2ccccc12 575357369 FJCMRAMGBGEOEY-UHFFFAOYSA-N 274.291 3.503 0 40 CHAB CC(C)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 12908597 XUTVEQSIWASUGM-QGZVFWFLSA-N 281.355 3.752 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)NC1CCCCC1 13994796 ZSWNZWDQJIOWJD-HNNXBMFYSA-N 275.392 3.601 0 40 CHAB Nc1cc(-c2cnsc2-c2cccc(F)c2)ccn1 19697164 WBHQANLZUKMCJJ-UHFFFAOYSA-N 271.320 3.593 0 40 CHAB O=C(Sc1nc2ccccc2s1)c1ccco1 5519595 FRHUITPNBIROIL-UHFFFAOYSA-N 261.327 3.822 0 40 CHAB C[S@](=O)c1ccc(/C=C2/C=Cc3ccccc32)cc1 5188916 XYWICSPUYKMEFN-LJQBUTKESA-N 266.365 3.991 0 40 CHAB CCOC(COc1ccc(Cl)c(Cl)c1)OCC 163068 LVANXKPFPPBKDQ-UHFFFAOYSA-N 279.163 3.771 0 40 CHAB Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)CCC3)c1 6610117 NGWBTYMHBXOUNJ-UHFFFAOYSA-N 295.382 3.810 0 40 CHAB CC(C)CNC(=O)c1ccccc1OCc1ccccc1 13686904 DJAAANHWFDJQSO-UHFFFAOYSA-N 283.371 3.651 0 40 CHAB CC(C)(C)OC(=O)C1(Cc2ccc(Cl)nc2)CCC1 1857782826 GXVXKUPNQYRYKN-UHFFFAOYSA-N 281.783 3.790 0 40 CHAB CC[C@]1(C)OC(=O)N2CCc3c([nH]c4ccc(C)cc34)[C@]21C 4786462 YJPWBRBWODCYEW-ROUUACIJSA-N 298.386 3.869 0 40 CHAB C[C@@]1(O)c2ccccc2-c2ccc(Br)cc21 2113474288 DRHZPKMRBSAXAU-CQSZACIVSA-N 275.145 3.685 0 40 CHAB c1ccc2c(c1)C[C@@H](CN[C@@H]1CCSc3ccccc31)O2 38009329 AVRZCZDPAKATHV-GOEBONIOSA-N 297.423 3.817 0 40 CHAB O=C(O)CCOc1cccc(-c2cccc(Cl)c2)c1 32122715 ITSOZLHLZNRNKY-UHFFFAOYSA-N 276.719 3.861 0 40 CHAB Cc1ccc(C)c(CC(=O)N(C)c2ccc(N(C)C)cc2)c1 103413934 KQDUCERPATVKLY-UHFFFAOYSA-N 296.414 3.575 0 40 CHAB CCC(C)(C)NCC(=O)Nc1ccccc1C(C)C 40461022 UBGJKDUSHZJVLA-UHFFFAOYSA-N 262.397 3.527 0 40 CHAB Oc1ccc(CNc2ccccc2F)c2cccnc12 75148 IBWIAHQQJVGIDZ-UHFFFAOYSA-N 268.291 3.692 0 40 CHAB O=C(Oc1ccc(Cl)c2cccnc12)N1CCCCC1 105659 WAAFTEIZXWCELE-UHFFFAOYSA-N 290.750 3.873 0 40 CHAB Cc1ccc(C(=O)c2cc(Br)ccc2N)cc1 265723 OCHXQKDWNREAJT-UHFFFAOYSA-N 290.160 3.571 0 40 CHAB NC(=O)c1ccccc1OCc1cccc2ccccc12 2626862 YUJGKWJXGAABIQ-UHFFFAOYSA-N 277.323 3.518 0 40 CHAB O=C(CC1CCCC1)Nc1ccc(F)c(Cl)c1 17154600 RMSAKYHXGQJFOA-UHFFFAOYSA-N 255.720 3.998 0 40 CHAB CC[C@@H]1CCCCN1C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 4041806 JTMQBKLVQMOPBR-XWIAVFTESA-N 291.435 3.563 0 40 CHAB CC(=O)c1ccc(C)cc1OC(=O)c1cccc(F)c1 4891470 HUWLVQHIMOGNDP-UHFFFAOYSA-N 272.275 3.556 0 40 CHAB Fc1ccc(NC(=S)NCc2ccco2)cc1Cl 7556795 HVBRJWNRBAKLHO-UHFFFAOYSA-N 284.743 3.559 0 40 CHAB CCOc1ccc(NC(=O)[C@@]2(C)C[C@H]3C=C[C@H]2C3)cc1 100926726 JSPMBDXGNFGWDS-DCGLDWPTSA-N 271.360 3.626 0 40 CHAB Cc1cc(Br)ccc1OCC[C@H]1CCCCN1 42773797 SSVODZMROHYVND-CYBMUJFWSA-N 298.224 3.669 0 40 CHAB COc1ccc(SCC(=O)N(C)C2CCCCC2)cc1 22514329 BRZJSYIRPCSLPV-UHFFFAOYSA-N 293.432 3.578 0 40 CHAB O=C(NC1CCCCCC1)[C@@H]1C[C@H]1c1ccccc1 1480361 LPWHOULVAUYTTM-JKSUJKDBSA-N 257.377 3.629 0 40 CHAB Fc1cc(CNC2CCCC2)ccc1Br 43576938 KPSXHGCFCRATJR-UHFFFAOYSA-N 272.161 3.620 0 40 CHAB C[C@H]1C[C@H]1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 108900872 AGBTYCCEIOGREX-YGOYTEALSA-N 271.282 3.539 0 40 CHAB CC[C@H](C)c1nc(Cl)n(-c2ccc(F)cc2)n1 22125396 LPQBRTNAFWJUEM-QMMMGPOBSA-N 253.708 3.573 0 40 CHAB Nc1cc(-c2nc(-c3cccs3)no2)ccc1Cl 21800260 CNYTYSNRBOBTHA-UHFFFAOYSA-N 277.736 3.701 0 40 CHAB O=CN1N=C(/C=C/c2ccccc2)C[C@@H]1c1ccccc1 68603407 JWJDUJIUMZTFRJ-IENJSVCTSA-N 276.339 3.659 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1F 13325350 OAVFVIRSMKLNPH-BXKDBHETSA-N 268.307 3.665 0 40 CHAB OCc1cc(-c2ccc3ccccc3n2)ccc1F 65397347 YTQXFGOYROHMLE-UHFFFAOYSA-N 253.276 3.533 0 40 CHAB Cc1ccc(C)c(NS(=O)(=O)c2cccc(Cl)c2)c1 16099559 VTDUSNPIESPXQQ-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB C[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccco1 9256834 KMRYVAMLWLPPBT-FBOQAHMBSA-N 298.367 3.780 0 40 CHAB CCCCCc1c(C)nc(Nc2ccccc2C)[nH]c1=O 9109137 HGWAGBNAAHBQIM-UHFFFAOYSA-N 285.391 3.863 0 40 CHAB CCc1nn(C)cc1N[C@H](C)c1ncc(-c2ccccc2)o1 95942178 JXDKGSVKBJISNF-GFCCVEGCSA-N 296.374 3.811 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)o1 95962190 GFEXBYRKQFGGHR-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB CC[C@H](C)NC(=O)N(C)CCc1cccc2ccccc12 89942297 VCIDERZEFMOIBA-AWEZNQCLSA-N 284.403 3.822 0 40 CHAB O=Cc1ccc(C(F)(F)F)nc1-c1cccc(F)c1 514278890 DLZKNBFZKXMNNF-UHFFFAOYSA-N 269.197 3.719 0 40 CHAB CCCCN1CCCC[C@@H]1c1cnc(N(C)C)cc1C 72218704 FXSICGKCPXRCTN-MRXNPFEDSA-N 275.440 3.783 0 40 CHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC(c2ccccc2)CC1 71835056 WTKJTMTWCBYQCL-DLBZAZTESA-N 295.382 3.789 0 40 CHAB CC[C@@H](NC(=O)c1cccs1)c1ccc(OC)c(C)c1 225409340 HCPUVNZDVFBYPV-CYBMUJFWSA-N 289.400 3.946 0 40 CHAB Cc1ccc(CSCCNC(=O)C2CCCC2)cc1 223658359 WZQNGKXTNPWTDD-UHFFFAOYSA-N 277.433 3.535 0 40 CHAB CC(C)(C)C[C@H](NC(=O)C1CC1)c1ccc(F)cc1 48331725 HETGBXSHDTVNNN-AWEZNQCLSA-N 263.356 3.829 0 40 CHAB O=C(OCc1cccc(F)c1)c1ccccc1Cl 255930741 JEAPRKATBUKGJY-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccccn1 390835708 VQPSDNCKPSVRIC-INIZCTEOSA-N 290.794 3.555 0 40 CHAB Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cn1 58377293 OTVLWAFASAHHQR-UHFFFAOYSA-N 298.361 3.728 0 40 CHAB CCSc1nnc(Cc2c(F)cccc2Cl)o1 66257581 ONCYSAQFVFSSSK-UHFFFAOYSA-N 272.732 3.565 0 40 CHAB Cc1cc(C(F)(F)F)nc(NCc2ccc(F)cc2)n1 215040 LCUHUDGTVFKIKD-UHFFFAOYSA-N 285.244 3.555 0 40 CHAB CCCn1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)nc2ccccc21 12540687 KUNWDXMSOCRNOV-MJBXVCDLSA-N 297.402 3.821 0 40 CHAB CC(C)c1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1 13439512 PYZKZCLCTLKLFT-UHFFFAOYSA-N 297.354 3.689 0 40 CHAB Fc1ccccc1NC(=S)NCCCc1ccccc1 13817325 FBUAFRKVHBAFSP-UHFFFAOYSA-N 288.391 3.745 0 40 CHAB CCc1ccc2nc3sc(C(=O)O)cc3cc2c1 19523018 ZCIFZNUDMJXZDI-UHFFFAOYSA-N 257.314 3.710 0 40 CHAB S=C(NCCc1ccccc1)c1cccc(Cl)c1 6664700 XBXQWKNHQZANRY-UHFFFAOYSA-N 275.804 3.848 0 40 CHAB CC(C)(C)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1 226352543 HMXNCDHQAIKXNC-UHFFFAOYSA-N 287.315 3.629 0 40 CHAB Cc1cc(C)n2nc(SC/C=C/c3ccccc3)nc2n1 5825545 VYZUEMQPSUFUIO-RMKNXTFCSA-N 296.399 3.547 0 40 CHAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3)on2)cc1 33145162 HERQRKXPJLXXRO-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB CSc1ccccc1NC(=O)c1cccnc1Cl 37974563 HUEYSWFHHCIOQR-UHFFFAOYSA-N 278.764 3.709 0 40 CHAB CC(C)[C@@H](NC1CCN(C(C)C)CC1)c1ccccc1 35016055 KZZMDQKXUATUBB-GOSISDBHSA-N 274.452 3.846 0 40 CHAB COc1ccc(-c2nnc3ccc4ccccc4n23)cc1 77481 ZRHSZGYWFLCWOD-UHFFFAOYSA-N 275.311 3.558 0 40 CHAB CSC1=NCCN1C(=O)c1ccc(-c2ccccc2)cc1 4119744 SSAYAMJTPFQKEK-UHFFFAOYSA-N 296.395 3.528 0 40 CHAB CC(C)(C)C(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732848 GOIKDUYWMQDPSG-UHFFFAOYSA-N 295.404 3.627 0 40 CHAB COc1cccc(NC(=O)NC2(c3ccccc3)CCC2)c1 40158661 AFJBHKIKXOMLOJ-UHFFFAOYSA-N 296.370 3.896 0 40 CHAB C/C=C/C=C/C(=O)Nc1cccc(OCc2ccccn2)c1 40516323 NIQOXYAKWRVCQH-TTWWKFCBSA-N 294.354 3.731 0 40 CHAB O=C(Nc1ccccc1)OCc1cnc2ccccc2c1 1722730 PCHIQKYESSTPOQ-UHFFFAOYSA-N 278.311 3.984 0 40 CHAB Cc1ccc(CCC(=O)N(C)Cc2cccs2)cc1 32845785 HEBKPKRDLNIJQH-UHFFFAOYSA-N 273.401 3.648 0 40 CHAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 2783901 AGGSIEONHNHNID-VXGBXAGGSA-N 299.271 3.991 0 40 CHAB Cc1occc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4539296 WAMNFHDTSSZYSM-QLFDAEIZSA-N 287.403 3.923 0 40 CHAB CC(C)Cc1ccc([C@H](C)NC(=S)NC2CC2)cc1 7677719 MAUOTLBDXVXLDF-LBPRGKRZSA-N 276.449 3.573 0 40 CHAB CCOc1ccc(Cl)cc1CNC1CCCC1 8324496 ZNOCDFPCRDZSIU-UHFFFAOYSA-N 253.773 3.771 0 40 CHAB Cc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1 8701368 LJMOMIGKRQMRDN-UHFFFAOYSA-N 277.121 3.894 0 40 CHAB O=C(Cc1ccsc1)OCc1nc2ccccc2s1 3285959 WCVFYYCVLVXKKC-UHFFFAOYSA-N 289.381 3.644 0 40 CHAB CC(C)[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 108112411 GVDOJAIWRYDSMD-HFTRVMKXSA-N 272.436 3.599 0 40 CHAB Cc1cccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1 12618286 WIWFWCQXPXMAGB-MRXNPFEDSA-N 283.396 3.959 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2ccc(N)c(C)c2)cc1 20220795 YWCFNOPCCCHMII-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1cc(F)ccc1F 22561509 UIXKJXMFJXBDFU-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB Cc1csc(SCC(=O)c2c[nH]c3ccccc23)n1 3386057 NTKUONXPJWCCBW-UHFFFAOYSA-N 288.397 3.908 0 40 CHAB CC1(C)COC(CCCCC(=O)c2ccccc2F)OC1 2518056 JBVMUMNRJNWKBQ-UHFFFAOYSA-N 294.366 3.968 0 40 CHAB O=C(O)CCCCCC(=O)c1ccc(C(F)(F)F)cc1 2579917 MENCMQVBLGYUKX-UHFFFAOYSA-N 288.265 3.923 0 40 CHAB Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 29482549 OYEJRESJVGFPIJ-SFHVURJKSA-N 294.398 3.553 0 40 CHAB Cc1c(-c2ccccc2)sc2ncnc(-n3ccnc3)c12 8746289 SYUCYPAAMSAPSO-UHFFFAOYSA-N 292.367 3.852 0 40 CHAB COc1ccc(C)c(NC(=O)Nc2ccc(F)cc2)c1 6206050 WXYCLCFKVXZLQS-UHFFFAOYSA-N 274.295 3.787 0 40 CHAB Cc1ccc2[nH]cc(C(=O)CN3CCCC[C@@H]3C)c2c1 5477753 KTHKMDBWAFJPFK-ZDUSSCGKSA-N 270.376 3.533 0 40 CHAB O=C(NCc1ccco1)c1ccccc1Cc1ccccc1 9058100 JFUZDXVFFCGUHA-UHFFFAOYSA-N 291.350 3.800 0 40 CHAB CC(C)(C)[C@H](NC(=O)CCC(F)(F)F)c1ccco1 95403569 YMGOPGYYHMCIGM-LLVKDONJSA-N 277.286 3.826 0 40 CHAB C[C@@H]1CCCC[C@H]1OCCNc1cnc2ccccc2n1 95951818 QMWNOOZMQJMRQJ-CZUORRHYSA-N 285.391 3.637 0 40 CHAB CCCCOc1ccc(C(=O)N(C)c2ccccn2)cc1 75476087 DGOZIPJXLFSKDR-UHFFFAOYSA-N 284.359 3.537 0 40 CHAB CCONC(=O)c1ccccc1SCc1cccs1 22874863 UZGPWVFGGQRASR-UHFFFAOYSA-N 293.413 3.722 0 40 CHAB Cc1cnccc1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 120508334 QTGRWTKZRXHEST-IUODEOHRSA-N 299.374 3.988 0 40 CHAB Cc1ccccc1COc1ccc(Cl)cc1CO 37312118 XSSWLZVMKMTPLT-UHFFFAOYSA-N 262.736 3.720 0 40 CHAB CCOC(=O)C[C@H](C)SCc1ncc(C(C)(C)C)o1 79359036 FWFSYPIKEVNTEA-JTQLQIEISA-N 285.409 3.547 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)C1CCCCC1 38752673 FCPZWDDBBOUWAL-AWEZNQCLSA-N 289.419 3.807 0 40 CHAB Cc1nc(C)c(C(=O)N2CC[C@@H](C)CC[C@H]2C(C)C)o1 73793544 BSEWZPVIJZJTJI-FZMZJTMJSA-N 278.396 3.578 0 40 CHAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCN1C(C)C 72219279 PUKHKJFUFFNVJN-KRWDZBQOSA-N 287.451 3.926 0 40 CHAB CCN1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214070 LZNMMZXZLYHCQA-INIZCTEOSA-N 267.376 3.982 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(N2CCCC2)nc1C 72218925 YDVNFHVQAPIRFL-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB OC(F)(F)[C@@](F)(c1ccc(Cl)cc1)C(F)(F)F 71609844 FXUSJRWPZMRZNJ-SSDOTTSWSA-N 278.579 3.652 0 40 CHAB CCc1ccc(CC)c(CNC(=O)c2cccc(OC)c2)c1 222773291 RXNASSQRVDRLRU-UHFFFAOYSA-N 297.398 3.750 0 40 CHAB Cc1ccnc(NC(=S)NC2(C(C)C)CCCC2)c1 225873562 MCSKDTFLNPBKOC-UHFFFAOYSA-N 277.437 3.645 0 40 CHAB CN1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 226250034 UPMZAIOVWKZQMW-UHFFFAOYSA-N 283.158 3.854 0 40 CHAB CCCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344390 KSVCJTXCSVZUBE-NWDGAFQWSA-N 272.175 3.623 0 40 CHAB CC[C@@H](C(=O)O)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223197514 BOOZSCLMPFIFAK-JSGCOSHPSA-N 275.392 3.950 0 40 CHAB CCc1ncc(C(=O)Nc2nccc3sccc23)s1 96012028 IUCFMPQTNWEKKE-UHFFFAOYSA-N 289.385 3.568 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccc(Cl)c(F)c2)c1 95916263 HOAFHHHNVWZWDU-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB CCc1ccc(CN(Cc2cc(C)no2)C2CC2)cc1 51737670 BPKAYEKMEFURBD-UHFFFAOYSA-N 270.376 3.710 0 40 CHAB COc1ccc(Cl)c(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c1 97371120 UATVWZMMYOVVFA-KRWDZBQOSA-N 353.752 4.602 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)CCc2ccccc2)cc1C 13679085 YNFFDOAGIUXGPJ-QGZVFWFLSA-N 295.426 3.983 0 40 CHAB O=C(Nc1nc2c(ccc3ccccc32)s1)C(F)(F)F 16526146 INXSKINTJKNQRH-UHFFFAOYSA-N 296.273 3.950 0 40 CHAB Cc1cc(C(=O)Nc2ncc(C)s2)c2ccccc2n1 6969124 GWBSAMNTIXBJLA-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB Clc1ccc(CSC2=NCCCN2)c(Cl)c1 7760064 RUZYJHTVIONJGU-UHFFFAOYSA-N 275.204 3.576 0 40 CHAB CC(=O)Oc1cccc(C(=O)CCC2CCCC2)c1 575362099 BLRBMJCADHPCTK-UHFFFAOYSA-N 260.333 3.765 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2)c(C)n1-c1nccs1 40090981 SAOOVLRMYRCUFD-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB CCc1nc(NC(=O)c2cc(F)cc(F)c2)sc1C 40118935 PPUGAPJISGIGPJ-UHFFFAOYSA-N 282.315 3.544 0 40 CHAB Cc1ccc(C)c(C(=O)CSc2nc(C)cc(C)n2)c1 255560 NJPNUFUDRIZSFC-UHFFFAOYSA-N 286.400 3.685 0 40 CHAB CCOc1ccc([C@](O)(CC)CCN2CCCCC2)cc1 201375 DDZMHXQGKGEGKL-SFHVURJKSA-N 291.435 3.559 0 40 CHAB Cc1ccc(C)c(C(=O)NCCC2=CCCCC2)c1 514792 LSEIOIRUDMDOEP-UHFFFAOYSA-N 257.377 3.924 0 40 CHAB CCCCOP(=O)(OCCCC)O[C@H](C)C(C)=O 1732712 RZQZIYDSKPKWFW-GFCCVEGCSA-N 280.301 3.722 0 40 CHAB O[C@@H](c1ccccc1)[C@@H](Cc1ccccc1)N1CCCCC1 1668059 HUGKXSARDXPQDU-UXHICEINSA-N 295.426 3.817 0 40 CHAB O=C(O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 3129252 KFEDCUOAVSSAAS-UHFFFAOYSA-N 272.691 3.582 0 40 CHAB Cc1cccc(NC(=O)CCc2ccc(F)cc2)c1 7126136 TYOHLKRQMNPZPB-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB Cc1ccc(C)c(C(=O)NCCSCc2ccccc2)c1 7642514 FYKAFSFQCMKCRW-UHFFFAOYSA-N 299.439 3.967 0 40 CHAB O[C@@H](Cc1ccnc2ccccc12)C(Cl)(Cl)Cl 8581452 UHPNIRAMQCYUHZ-NSHDSACASA-N 290.577 3.508 0 40 CHAB C[C@@H](CSc1nnc(S)s1)c1ccccc1 8614605 WLPPNYHLMKDMPV-QMMMGPOBSA-N 268.432 3.723 0 40 CHAB COc1c(C)cccc1C(=O)Nc1cccc(C)c1C 9141483 BGZIOWPHVDKUFD-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB Cc1nc(N2CCC2)c2c(-c3ccccc3)csc2n1 25062359 GIYFOOUZWHNPPW-UHFFFAOYSA-N 281.384 3.877 0 40 CHAB COc1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1405970 XFOVLAWMIBBOBO-UHFFFAOYSA-N 268.238 3.853 0 40 CHAB O=C(/C=C/c1ccccc1)NC1CCCCCCC1 1446444 KBIAWWWAPYUQCU-BUHFOSPRSA-N 257.377 3.929 0 40 CHAB CC(C)c1ccccc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102259050 CTUXGTUHDRHNLA-YDHLFZDLSA-N 255.361 3.961 0 40 CHAB Cc1cc(NC(=O)N(C)[C@H]2CCCc3ccccc32)no1 10216269 YSGIRGKNISOEQD-AWEZNQCLSA-N 285.347 3.524 0 40 CHAB c1ccc(CCNc2nnc(-c3ccccc3)s2)cc1 24052554 UAKBTADAHSCCJR-UHFFFAOYSA-N 281.384 3.860 0 40 CHAB CCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10810869 QHEBGWKZFMHQDB-UHFFFAOYSA-N 263.724 3.626 0 40 CHAB O=C(NC(C1CC1)C1CC1)N1CCC[C@H]1c1ccccc1 45437481 WIPXVVGFDWILGZ-INIZCTEOSA-N 284.403 3.722 0 40 CHAB CCCCc1ccc(C(=O)CCCCC(=O)O)cc1 2579951 HCCJJFGEZGABNN-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB CCNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 12809348 BCOFCUZRRJVBKO-NSHDSACASA-N 265.422 3.649 0 40 CHAB Cc1ccccc1C(=O)NC1CCC(C(F)(F)F)CC1 12921500 SIKIVDUTUQXFOJ-UHFFFAOYSA-N 285.309 3.846 0 40 CHAB CCOC(=O)c1ccc2noc(-c3ccccc3)c2c1 18343532 UWPHYLZNTSTMIK-UHFFFAOYSA-N 267.284 3.672 0 40 CHAB Cc1cccnc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 39975838 YLXNCTKPIBBRPR-JTQLQIEISA-N 286.400 3.829 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)o1 4646529 VRSWNXIEMWQXOU-QLFDAEIZSA-N 287.403 3.923 0 40 CHAB COc1cc(C)c(NC(=O)c2cc(C)ccc2C)cc1OC 5616856 KIYUZMVDZZONBT-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB O=C(COc1c(Cl)cccc1Cl)c1ccc[nH]1 9155303 HAVONUNVIVCETO-UHFFFAOYSA-N 270.115 3.583 0 40 CHAB C[C@H](CC(=O)N(Cc1ccccn1)C1CC1)c1ccccc1 72781638 KBXXOSAMFAEFJA-OAHLLOKOSA-N 294.398 3.766 0 40 CHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC(C)C)c1 20460471 AWZLJJZQJUDFQL-OAHLLOKOSA-N 277.408 3.541 0 40 CHAB Cc1nccn1-c1ccc([C@@H](C)NCCC(C)C)cc1 95419179 QPMYKJBLNHOUGR-CQSZACIVSA-N 271.408 3.877 0 40 CHAB C[C@H]1CCCC[C@H]1OCCNc1ncnc2sccc12 95951815 ISVMZUMIGZMQRI-WCQYABFASA-N 291.420 3.699 0 40 CHAB CCC[C@H](N[C@@H](C)Cc1cccs1)C(=O)OC(C)(C)C 95943447 AEHZIUTZCQPDLH-JSGCOSHPSA-N 297.464 3.779 0 40 CHAB Cc1ccc(CCC(=O)N[C@@H]2CCc3ccccc32)cc1 32850831 OIVIZWBCKGZXKD-GOSISDBHSA-N 279.383 3.731 0 40 CHAB Cc1ccc(C(=O)[C@@H](C)Sc2nncs2)cc1C 35184798 WQHSDLICEQYUIL-SNVBAGLBSA-N 278.402 3.518 0 40 CHAB CCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1 71978736 HRFOAPKKNYVKBG-UHFFFAOYSA-N 292.338 3.920 0 40 CHAB CC(C)N1CCCC[C@H]1c1ccc(N2CCCC2)nc1 72215943 YRGUPBPYDVPSEU-INIZCTEOSA-N 273.424 3.617 0 40 CHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H]1CC=CCC1 40107199 TZPPOPQRFGVSCL-OCCSQVGLSA-N 277.795 3.744 0 40 CHAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC=CCC1 40160278 FQHXZAYEYPMVGN-LBPRGKRZSA-N 283.293 3.678 0 40 CHAB CC(C)c1cc(CNC(=O)N(C2CC2)[C@H](C)C(C)C)on1 86398912 RNACWZOMDRDHEU-GFCCVEGCSA-N 293.411 3.517 0 40 CHAB CC[C@@H](c1ccccc1)c1nc(-c2ccccc2N)no1 44732128 DZIYJMZKNLONIK-ZDUSSCGKSA-N 279.343 3.861 0 40 CHAB Fc1ccc(CNc2cnn(C3CCCC3)c2)cc1 256054047 USXRVFMCKSWDMW-UHFFFAOYSA-N 259.328 3.749 0 40 CHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260755939 CKRIKJQXXKZMFY-KCPJHIHWSA-N 299.399 3.572 0 40 CHAB Cc1cc(Cl)ccc1C(=O)C1=C(C(=O)O)CCCC1 95634112 MKMVWGQGCHWNET-UHFFFAOYSA-N 278.735 3.786 0 40 CHAB CO[C@@H](CNC(=O)c1ccc(Cl)cc1)c1ccsc1 96103326 XNGMEEFSIJJPBP-ZDUSSCGKSA-N 295.791 3.519 0 40 CHAB CNC(=S)Nc1cc(Cl)c(Cl)cc1Cl 401933 FOGVXPRGYRQORO-UHFFFAOYSA-N 269.584 3.563 0 40 CHAB CCN(CC)C(=O)c1ccccc1CCc1ccccc1 13688206 YILUWUOWSNSZOQ-UHFFFAOYSA-N 281.399 3.954 0 40 CHAB Cc1ccc([C@@H](NC(=O)C(C)C)c2ccccc2)cc1 14577216 XILCEJGSGWZACM-KRWDZBQOSA-N 267.372 3.857 0 40 CHAB O=C(NC1CCCC1)C1=Cc2cc(Cl)ccc2OC=C1 15838550 VOWBUUDZCPNGIK-UHFFFAOYSA-N 289.762 3.688 0 40 CHAB CCc1ccc(NC(=O)/C=C\c2ccccc2)cc1 17021660 GIKXDECTKUYAMO-RAXLEYEMSA-N 251.329 3.901 0 40 CHAB O=C(COc1ccccc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008495 IFXJRUANGPGAKY-IRXDYDNUSA-N 297.398 3.555 0 40 CHAB CCc1ccc([C@H](C)NC(=O)c2ccccc2F)cc1 36623354 DHAILDRLATZLGM-LBPRGKRZSA-N 271.335 3.879 0 40 CHAB Clc1ccc(Cc2n[nH]c(-c3ccccc3)n2)cc1 38557889 FKPPXSNDXJYZRO-UHFFFAOYSA-N 269.735 3.716 0 40 CHAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(F)c1 4072277 IBZSVMQHOHENJB-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB c1ccc(C[C@@H]2COC(c3nccc4ccccc34)=N2)cc1 1988188139 XZIVMSMUJWFAHH-MRXNPFEDSA-N 288.350 3.623 0 40 CHAB Cc1cccc(OCCN2CCC[C@H](C(F)(F)F)C2)c1 40161838 UBYCYROMFMQQSQ-ZDUSSCGKSA-N 287.325 3.648 0 40 CHAB C[C@]12CC3CC(NCc4ccccn4)(C1)C[C@](C)(C3)C2 100644483 LUSZWADSAYVKKZ-FZBQFSLMSA-N 270.420 3.920 0 40 CHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 100937016 UCHUGNGIDMNZIY-AOOOYVTPSA-N 298.169 3.673 0 40 CHAB OC(Cc1cccnc1)(c1ccccc1)c1ccccc1 75721 ISHRKNDRIGDTBK-UHFFFAOYSA-N 275.351 3.560 0 40 CHAB in-vitro COc1cc(-c2ccc(O)cc2)cc(=O)c2c(C)oc(C)c12 111980 NRXYHWFLPSAUFP-UHFFFAOYSA-N 296.322 3.791 0 40 CHAB biogenic CSC(c1ccccc1Cl)=[N+]1CCCCC1 1601771 BKGDRBUZBTYMSW-UHFFFAOYSA-N 254.806 3.646 0 40 CHAB Fc1cc2ncnc(N3CCC[C@H]4CCC[C@@H]43)c2cc1F 76063684 XXQWQNKEUFFCOZ-BMIGLBTASA-N 289.329 3.677 0 40 CHAB Cc1ccc(NC(=O)c2noc3c2C[C@H](C)CC3)cc1C 7000198 LJMRGQWBSZIAHK-SNVBAGLBSA-N 284.359 3.669 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccoc1 47088457 RNHHHTNZTPHBDR-ZDUSSCGKSA-N 290.388 3.560 0 40 CHAB C[C@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 8168469 WFEDHWJHOXDCHU-CYBMUJFWSA-N 287.790 3.802 0 40 CHAB COc1ccc(-c2ccccc2)cc1C(=O)OC(C)C 57339882 YUJBPXGVWLHXAY-UHFFFAOYSA-N 270.328 3.927 0 40 CHAB O=C(O[C@H]1CCCCC1=O)c1ccc(Cl)c(Cl)c1 3342060 HNJFPXBYGDOAIP-LBPRGKRZSA-N 287.142 3.662 0 40 CHAB COc1ccc(OC)c([C@H](C)Nc2ccc3c(c2)COC3)c1 97038476 JVSNIXUNCICGBG-LBPRGKRZSA-N 299.370 3.907 0 40 CHAB CC[C@@H](C)NC(=O)CSCc1ccc(Cl)s1 44715658 QAJFOTGTRGKZDV-MRVPVSSYSA-N 277.842 3.549 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)N(C)c1ccccc1 4696147 FRTGYBFTMGNEDI-UHFFFAOYSA-N 292.338 3.927 0 40 CHAB Cc1cc(C)cc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c1 8844090 YLFJPEHHXTTXPY-UHFFFAOYSA-N 291.354 3.797 0 40 CHAB CCNc1nnc(SCc2ccccc2C)s1 7247537 ZLWBZTJZAAJJHB-UHFFFAOYSA-N 265.407 3.571 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cc(F)cc(F)c1 7406902 MTKRNGFNULDODV-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccco1 8359813 RGBQFHREJPQKAD-SECBINFHSA-N 283.249 3.789 0 40 CHAB Fc1ccc(CN(Cc2nccs2)C2CC2)c(F)c1 84344280 RIGGSJXZZXTXJM-UHFFFAOYSA-N 280.343 3.586 0 40 CHAB C[C@H](CC(=O)NCCc1ccc(F)cc1)C(C)(C)C 84636783 AYYPSWMYOIVABD-GFCCVEGCSA-N 265.372 3.557 0 40 CHAB Cc1cnc([C@@H](C)Nc2ncnc3cc(Cl)ccc23)o1 95466022 YJFMNVGCZSISOZ-SECBINFHSA-N 288.738 3.753 0 40 CHAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccoc1 88465826 MQEPKOASVACLSB-UHFFFAOYSA-N 259.305 3.669 0 40 CHAB COc1ccc(OC(=O)c2ccc3nc(C)sc3c2)cc1 409191146 ZYSCHIWLZSBACF-UHFFFAOYSA-N 299.351 3.833 0 40 CHAB Cc1cc(Nc2ccc3[nH]c(C)cc3c2)nc(C)n1 32923428 OSFLWSPVRUOZHM-UHFFFAOYSA-N 252.321 3.627 0 40 CHAB O=C1CCC[C@H](c2ccc(Br)cc2)C1 77435418 OWJFSGNEZCNGJL-JTQLQIEISA-N 253.139 3.676 0 40 CHAB Cc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1C 70461267 LWHBQPLKCZDNQU-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB C=Cc1cnc(N2CCc3ccccc3C2)cc1C 72223901 WVQWATZVVWDBBY-UHFFFAOYSA-N 250.345 3.596 0 40 CHAB O=C(O)/C=C/c1cc(Br)c(-c2ccccc2)o1 40545578 OUMAKXCXCJANHX-VOTSOKGWSA-N 293.116 3.807 0 40 CHAB Cc1cccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 72211105 AVEUZKVFXGNECK-AWEZNQCLSA-N 276.380 3.852 0 40 CHAB Cc1cc(C)cc(C[C@H](Oc2cccc(C)c2)C(=O)O)c1 225036038 UTYHRXHQWYBAOU-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CCc1ccccc1NC(=O)Cc1ccc(OC)c(C)c1 222883877 GPKMTNAYTAKZPV-UHFFFAOYSA-N 283.371 3.747 0 40 CHAB COC(=O)[C@@H](C(C)C)N1c2ccccc2C(C)=CC1(C)C 223210600 YGRDGFZRSOKLPQ-MRXNPFEDSA-N 287.403 3.886 0 40 CHAB CC[C@@H](NC(=S)Nc1ccncc1)c1ccccc1C 225759343 RLDFLSLKXIQXNI-OAHLLOKOSA-N 285.416 3.828 0 40 CHAB Cc1cc(C(=O)c2c(Cl)cccc2Cl)ccn1 45038607 GOGFRPXHKHSVCY-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CCCCOc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 225170339 SOKGFMQEYUVEBR-WMLDXEAASA-N 277.408 3.695 0 40 CHAB O=C(NCc1ccc(F)cc1)c1ccc(-c2ccco2)o1 96183686 KPODQOIGESGPNM-UHFFFAOYSA-N 285.274 3.609 0 40 CHAB Cc1ccc(NC(=O)Nc2cccc([C@H](C)O)c2)cc1 16293110 VCHDRFYHZSPKKF-LBPRGKRZSA-N 270.332 3.692 0 40 CHAB Cc1ccc(OCCCC(=O)NCCc2ccccc2)cc1 5752505 OZBRQJCNECBRKK-UHFFFAOYSA-N 297.398 3.513 0 40 CHAB CC(C)(C)C(=O)Nc1ccc2nc(Cl)c(C=O)cc2c1 13563129 BGNDGVILZQMXIK-UHFFFAOYSA-N 290.750 3.685 0 40 CHAB CCCCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708517 NEERJUYZHOPLFX-CYBMUJFWSA-N 271.360 3.523 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14401555 DVOXUELZQISOBJ-NWDGAFQWSA-N 283.799 3.639 0 40 CHAB CCCC[C@H](CC)OC(=O)c1ccc(OC)cc1 1584042 CYMXXLBPFSZFQS-ZDUSSCGKSA-N 250.338 3.821 0 40 CHAB C[C@]1(O)c2ccccc2[C@@](C)(O)c2c1ccc1ccccc21 1676941 GJODVXBHWDFIDL-VQTJNVASSA-N 290.362 3.665 0 40 CHAB Cc1[nH]c2ccc(-c3ccccc3)cc2c1CC(=O)O 1848254 AYEZUNORADUQKP-UHFFFAOYSA-N 265.312 3.770 0 40 CHAB COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8040726 WNEGSUHOCJWPCL-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB CC(C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 9141811 QXMDQZMSUVFGAH-UHFFFAOYSA-N 265.662 3.953 0 40 CHAB C[C@]1(O)c2ccccc2[C@@](C)(O)c2ccc3ccccc3c21 1676938 GJODVXBHWDFIDL-UXHICEINSA-N 290.362 3.665 0 40 CHAB O=C(/C=C/c1ccco1)NCc1ccc(-c2cccs2)o1 575609640 ZGTPQIVDNAMHER-SOFGYWHQSA-N 299.351 3.931 0 40 CHAB C[C@H]1CC(=O)N(Cc2ccccc2F)c2ccccc2N1 21793478 RGZOEFMKCJWDFY-LBPRGKRZSA-N 284.334 3.563 0 40 CHAB CCOC(=O)c1cc(N)ccc1Sc1ccccc1 41080039 NERDZAGDSCJEKJ-UHFFFAOYSA-N 273.357 3.597 0 40 CHAB in-vitro COc1ccc2c(=O)cc(-c3ccccc3)sc2c1 42237 MUMCJGWCGQZTNA-UHFFFAOYSA-N 268.337 3.937 0 40 CHAB Cc1oc(-c2cccs2)nc1CN[C@@H](C)c1ccncc1 97084031 MKKHXAQAKDKJCV-NSHDSACASA-N 299.399 3.957 0 40 CHAB Cc1cc(C)c(C)c(C(=O)OCCN2CCCCC2)c1C 1661315 UHSUMQHGAZPWAI-UHFFFAOYSA-N 289.419 3.563 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(F)cc1F 2726445 OYSFQYXMTFBZNF-UHFFFAOYSA-N 286.281 3.627 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 3014427 GUHZRZPGTUWMGG-UHFFFAOYSA-N 267.328 3.704 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1nnc(SCC)s1 4155401 QPPLUUKWCGQLSI-VIFPVBQESA-N 287.454 3.805 0 40 CHAB Cc1cccc(CNC(=O)CSCc2ccccc2C)c1 10447482 ZTTOMEHQQMAMDV-UHFFFAOYSA-N 299.439 3.853 0 40 CHAB COc1cc(CC(=O)Nc2c(C)cccc2C)ccc1C 57529657 NPOAJLJPOGLZRM-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB CC(C)CNC(=O)N(Cc1ccco1)Cc1cccs1 22747443 KMRAZKQMMAVJEY-UHFFFAOYSA-N 292.404 3.709 0 40 CHAB Cc1cc(C)cc(COC(=O)c2ccc3nccnc3c2)c1 23475192 ZKKNXPDSHHLHCS-UHFFFAOYSA-N 292.338 3.604 0 40 CHAB CCc1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1 20492607 RYIQBZQYJWGSEI-ZDUSSCGKSA-N 299.370 3.664 0 40 CHAB Cc1cc(C(=O)Nc2ccc(F)cc2F)sc1C 24018514 KMHPMFSOWKDECY-UHFFFAOYSA-N 267.300 3.895 0 40 CHAB CCC[C@H](C)NC(=O)Cc1c(C)nc2ccccc2c1C 25380673 QFFNWDACSWMAEC-LBPRGKRZSA-N 284.403 3.699 0 40 CHAB CCCCCO[P@@](C)(=O)OCCN1CCCCC1 1835665 KGXFZCNERWTLMK-GOSISDBHSA-N 277.345 3.519 0 40 CHAB O=C(Cc1ccccc1)c1c[nH]c2ccc(F)cc12 104416903 MPIDFOVLSXYKKP-UHFFFAOYSA-N 253.276 3.732 0 40 CHAB CC(C)Oc1ccccc1NC(=O)OCC(F)(F)F 58024630 XMOXOHQISNURMG-UHFFFAOYSA-N 277.242 3.585 0 40 CHAB O=C(c1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 58264360 ANJNSQBIZHGICX-UHFFFAOYSA-N 286.762 3.540 0 40 CHAB CCCCCC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20136645 QGMSSQMUMKLYGY-UHFFFAOYSA-N 287.359 3.958 0 40 CHAB COc1cccc(C(=O)c2cccc(Br)c2)c1 2574644 YJQLWOJNDBFINH-UHFFFAOYSA-N 291.144 3.689 0 40 CHAB O=C(Nc1ccccc1)C1(c2cccc(F)c2)CCC1 13007747 CINWHBPCZYUVAA-UHFFFAOYSA-N 269.319 3.886 0 40 CHAB CCCCS(=O)(=O)N[C@@H](CC)c1ccc(Cl)cc1 13330047 QWQJYTNMZLXWBY-ZDUSSCGKSA-N 289.828 3.511 0 40 CHAB COc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1 39044291 XVDURMABEAUMSN-UHFFFAOYSA-N 270.119 3.536 0 40 CHAB Cc1cccc(-c2noc(CSc3ccccn3)n2)c1 84213194 LFXYZYNTVUCUTF-UHFFFAOYSA-N 283.356 3.732 0 40 CHAB O=C(c1cccs1)N1CCCSc2ccccc21 15497293 RIGHABGJTPOFQG-UHFFFAOYSA-N 275.398 3.891 0 40 CHAB COc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1C 7954314 UWGRXCBVVZTWCW-KRWDZBQOSA-N 295.382 3.811 0 40 CHAB Cc1noc(C(C)C)c1C(=O)NC1CCCCCC1 8133593 GOVDWSMPBXEAMD-UHFFFAOYSA-N 264.369 3.559 0 40 CHAB O=C(CCCOc1ccccc1)Nc1cc(Cl)ccn1 75283389 LMBJENSSCHMQEC-UHFFFAOYSA-N 290.750 3.533 0 40 CHAB CCCCCN1C(=O)S/C(=C\c2ccc(C)o2)C1=O 409200556 IESLVTMSHZMBBR-XFXZXTDPSA-N 279.361 3.815 0 40 CHAB CCOC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 216791909 RROIKAKWCOIROX-UHFFFAOYSA-N 285.274 3.811 0 40 CHAB Cc1cc(NC(=O)CCSc2ccccc2)sn1 38680471 HWNDYZOVQVRNHJ-UHFFFAOYSA-N 278.402 3.572 0 40 CHAB O=C(c1cccc(F)c1)N1CC[C@@H](c2ccsc2)C1 670969024 RZVBNCFCCFTBIS-GFCCVEGCSA-N 275.348 3.517 0 40 CHAB Cc1cc(O[C@H](C)C(=O)NC2CCCC2)cc(C)c1Cl 40913165 XFJVPGOYSPXDAD-GFCCVEGCSA-N 295.810 3.783 0 40 CHAB CCN(CC)c1cc(O)c2c(Cl)c(C(=O)O)sc2c1 228924491 UKQHPWAZXPHRNI-UHFFFAOYSA-N 299.779 3.805 0 40 CHAB CC[C@@H](C(=O)O)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223198084 GATFTHUXNHOUOE-GWCFXTLKSA-N 279.355 3.781 0 40 CHAB CC1=CC(C)(C)N(C(C)(C)C(=O)O)c2c(C)cccc21 223203919 VVABPIWTIZFZCU-UHFFFAOYSA-N 273.376 3.860 0 40 CHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)C 224123494 SCURFMOGUGZMGE-MRXNPFEDSA-N 289.419 3.638 0 40 CHAB COCCCN[C@H](C)c1ccccc1OC1CCCC1 225161498 WSUXAZJPGICAPM-CQSZACIVSA-N 277.408 3.695 0 40 CHAB C[C@@H]1CC[C@H](Nc2ccc(Cl)c(C[S@](C)=O)c2)C1 221366529 JMTKTTABRFRNOL-MYFIVHGGSA-N 285.840 3.819 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)C(C)C 225217234 QIYPAQSTOFVEOV-GDBMZVCRSA-N 277.408 3.622 0 40 CHAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1 96586330 SXBLURFKXMNEAF-UHFFFAOYSA-N 281.355 3.583 0 40 CHAB C/C=C/C=C/C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 45249678 VVKCZLVLYXRTGD-HTBCYIBQSA-N 292.382 3.552 0 40 CHAB CC(C)C[C@H](C)N(C)C(=O)Nc1cccc(F)c1 58344161 YSSKKEAJXLQHLI-NSHDSACASA-N 252.333 3.724 0 40 CHAB O=C(/C=C/c1cccc2ccccc12)NCc1ccco1 12617077 SKDPCUUXQSGRNQ-ZHACJKMWSA-N 277.323 3.762 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)NC1CCCCC1 16025773 FSMLMZNXIZMLDR-UHFFFAOYSA-N 284.359 3.713 0 40 CHAB C[C@@H](CCNC1c2ccccc2-c2ccccc21)[S@](C)=O 166253982 NFCZDHZGDPELJN-YEJXKQKISA-N 299.439 3.503 0 40 CHAB C[C@H](NC1CCN(C)CC1)c1ccc(OC(C)(C)C)cc1 156734674 VXUMTZZIXVSAGS-AWEZNQCLSA-N 290.451 3.609 0 40 CHAB CC1CCC(NC(=S)Nc2ccccc2F)CC1 6263623 RYVXNNRRBYQLPE-UHFFFAOYSA-N 266.385 3.691 0 40 CHAB CC(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)Cl 374179 BQMZSYQPGRNHDR-JTQLQIEISA-N 298.622 3.698 0 40 CHAB O=C(NCc1nc(C2CCCCC2)cs1)c1ccoc1 390831497 SDVXKQCBVIUSKE-UHFFFAOYSA-N 290.388 3.714 0 40 CHAB O=C1CSC2(CCCCC2)N1c1ccc(F)cc1 205348 WSYMBNIKQGLCSP-UHFFFAOYSA-N 265.353 3.566 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)NC2CCCC2)cc1 31085046 OKQGAYFGAREKQM-LLVKDONJSA-N 278.421 3.711 0 40 CHAB COc1ccc(CNc2ncnc3ccc(C)cc23)cc1 32540842 GDVGXHPKJNNNEO-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB O=C(Nc1cccnc1)Nc1cccc(C(F)(F)F)c1 18753 VYGFQHUZTRABSS-UHFFFAOYSA-N 281.237 3.744 0 40 CHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccccn1 32787268 CTGDDSIMBJERHB-LLVKDONJSA-N 274.751 3.568 0 40 CHAB Cc1noc(C)c1NC(=O)N[C@H](C)c1ccc(Cl)cc1 60382079 TWUYTCLBIUVWKX-MRVPVSSYSA-N 293.754 3.828 0 40 CHAB Cc1ccc2nc(SCC(=O)OC(C)C)c(C)cc2c1 420911 PDBDUVCAUQVMSF-UHFFFAOYSA-N 289.400 3.895 0 40 CHAB Cc1cccc(NC(=O)[C@@H](C)Sc2ccccc2)n1 32721920 NTVJYFHJUSRBMX-GFCCVEGCSA-N 272.373 3.509 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cc(C)n(C)c2C)c1 8051812 UCCSQVBPPLTLSS-UHFFFAOYSA-N 256.349 3.511 0 40 CHAB Nc1ccc2c(c1)C(=O)c1cc(Cl)cc(Cl)c1-2 1592338 BUFIRKRIHFXRQH-UHFFFAOYSA-N 264.111 3.787 0 40 CHAB CCN(CC)C[C@H](C)C(O)(c1ccccc1)c1ccccc1 1663905 LYKGLTYXVNAOPD-KRWDZBQOSA-N 297.442 3.900 0 40 CHAB CC(C)(c1cccs1)c1cscc1C(=O)O 1734669 NTTFGOXJLKORAO-UHFFFAOYSA-N 252.360 3.834 0 40 CHAB CCN(CC)C(=S)SC(=O)c1ccccc1Cl 3173608 MEDCPWIYYZNOCJ-UHFFFAOYSA-N 287.837 3.840 0 40 CHAB Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C 8051634 XZSQGZTYMHJDSJ-UHFFFAOYSA-N 296.292 3.913 0 40 CHAB Cc1nc2ccccc2n1Cc1cc(N)ccc1Cl 37403132 KXRLDAQDFLIDQT-UHFFFAOYSA-N 271.751 3.629 0 40 CHAB in-vitro CCOc1cccc(NC(=O)/C=C/c2ccccc2)c1 9816338 ZUYCMEAPHQZUJC-VAWYXSNFSA-N 267.328 3.737 0 40 CHAB O=c1scc(-c2ccc(Br)cc2)s1 3092817 TUXGPCOOJPVSRW-UHFFFAOYSA-N 273.176 3.599 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1ccccc1 20494133 TZZPOGIOAWZDOS-QGZVFWFLSA-N 297.398 3.811 0 40 CHAB COCc1cc(Sc2ccc(Cl)cc2)nc(C)n1 1389085 VZTBGKAJPZKVMC-UHFFFAOYSA-N 280.780 3.736 0 40 CHAB O=C(COC(=O)c1ccccc1F)c1ccc(Cl)s1 3309076 KANOKFXZBHOKPY-UHFFFAOYSA-N 298.722 3.580 0 40 CHAB CCONC(=O)c1ccccc1Nc1cccc(C)c1C 12750664 XHQMPSWOXGPICE-UHFFFAOYSA-N 284.359 3.728 0 40 CHAB CCCOc1ccc(C(=O)CCCCC(=O)OCC)cc1 2580392 UOBIWNBDDOHOEN-UHFFFAOYSA-N 292.375 3.782 0 40 CHAB C[C@H](NC(=O)COc1ccccc1)c1cc2ccccc2o1 12886720 CMBGZOKGDJEZQZ-ZDUSSCGKSA-N 295.338 3.689 0 40 CHAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1ccc(F)cc1 3904975 UWBNPVDYTHSVEP-MELADBBJSA-N 293.382 3.634 0 40 CHAB O=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1F 14062483 CMQJAHAMQNSFIV-SOFGYWHQSA-N 295.766 3.870 0 40 CHAB Fc1ccccc1CNC1C2CC3CC(C2)CC1C3 4554360 XSMMBVPDDUOTKD-UHFFFAOYSA-N 259.368 3.740 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(F)cc1 5425397 RSBHFCHAWLSPGI-AWEZNQCLSA-N 287.359 3.793 0 40 CHAB Cc1noc(C(C)C)c1C(=O)N[C@H]1CCCc2ccccc21 7278141 VKAILBVQGIWECN-HNNXBMFYSA-N 298.386 3.914 0 40 CHAB O=c1c2ccsc2ncn1Cc1cccc2ccccc12 7495060 ILJLONKQELCJDZ-UHFFFAOYSA-N 292.363 3.660 0 40 CHAB Cc1cccc(NC(=O)c2cc(F)cc(F)c2)c1C 7609943 IONPGCOJZRMONX-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB COCc1cccc(NC(=O)c2ccccc2SC)c1 29146585 CIYLQMVWLPXMEE-UHFFFAOYSA-N 287.384 3.807 0 40 CHAB Cc1ccc(C)c2nc3sc(C(=O)O)cc3cc12 19735277 YYTLACIFLNWFLC-UHFFFAOYSA-N 257.314 3.765 0 40 CHAB CC(=O)c1cccc(NCC(=O)Nc2cc(C)ccc2C)c1 9368300 BWCDZNWOCZDTCI-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB CC(C)CO[C@H]1C[C@@H](OC(=O)c2ccccc2)C1(C)C 84544349 IIMWHXABNWSQRS-LSDHHAIUSA-N 276.376 3.683 0 40 CHAB C1CCC2(CC1)C[C@@H](Nc1nc(C3CC3)ns1)CCO2 95425708 VSSIQYIJAXEEKF-LBPRGKRZSA-N 293.436 3.709 0 40 CHAB O=C(N[C@H](c1nccs1)C1CC1)N1CCCCCCC1 74708039 BKBRRHJSFHQIGA-ZDUSSCGKSA-N 293.436 3.570 0 40 CHAB CCCCCNC(=O)c1cc(F)ccc1Br 19503913 BFQWIINAUMEGCF-UHFFFAOYSA-N 288.160 3.508 0 40 CHAB CC1CCN([C@H](CN)c2cccc(Cl)c2Cl)CC1 39034758 IEPJOPKFBLKRGT-CYBMUJFWSA-N 287.234 3.725 0 40 CHAB O=C(NCc1ccsc1)NCc1cccc2ccccc12 38586750 PLFYDEBSYHJSJC-UHFFFAOYSA-N 296.395 3.901 0 40 CHAB CCSc1ncccc1[C@H]1CCCN1CC(C)C 72217185 GAHLGKNYILYNJE-CQSZACIVSA-N 264.438 3.987 0 40 CHAB COc1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1F 62791743 SFVFQJIJTIWDDY-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB CN(C)Cc1c[nH]c2cccc(OCc3ccccc3)c12 34091027 RRKLFSJBPYZCJV-UHFFFAOYSA-N 280.371 3.809 0 40 CHAB in-vitro CCCC[C@H](OC)c1ccc(SCC(=O)O)cc1 72220269 QTKRNNPVEMHLMP-ZDUSSCGKSA-N 268.378 3.741 0 40 CHAB CC(C)Oc1ccc(NC(=O)C2(C)CCCCC2)cn1 225945855 UVXNKPGSAKCWFF-UHFFFAOYSA-N 276.380 3.778 0 40 CHAB CCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C 225724598 JBNKMFBVBSVZEY-KRWDZBQOSA-N 291.391 3.537 0 40 CHAB C[C@@H](NC[C@@H]1CCCO1)c1ccccc1OC1CCCC1 225162203 RDERECKJMXNEPY-ZBFHGGJFSA-N 289.419 3.838 0 40 CHAB Cc1cccnc1NC(=S)NC1(C(C)C)CCCC1 225872130 ZBOWSNNLBICIPG-UHFFFAOYSA-N 277.437 3.645 0 40 CHAB CCOc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1C 225134988 GIZZWEHIQQYDSL-OAHLLOKOSA-N 297.398 3.927 0 40 CHAB Cc1nc2cc(C(=O)Nc3ccccc3F)ccc2o1 49677110 IREHJBXTAWBZKP-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H](C)C1CCCCC1 96440282 ZQGFNOXTOIPSAN-QWRGUYRKSA-N 293.411 3.620 0 40 CHAB CC(C)n1nc(C2CC2)cc1CNCc1ccccc1 256049903 BXVJDRTUCFDSNO-UHFFFAOYSA-N 269.392 3.631 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 10091427 FPRLCNWMSGHZPU-NWDGAFQWSA-N 284.403 3.821 0 40 CHAB CC1=C(C)CN(C(=O)CCCc2cccs2)CC1 280277812 RXHMUXBCGUVUIB-UHFFFAOYSA-N 263.406 3.640 0 40 CHAB COc1ccccc1CN[C@H](C)Cc1ccc(C)cc1 585672788 CBRKBJHWROLUDO-OAHLLOKOSA-N 269.388 3.724 0 40 CHAB in-vitro ClC(Cl)(NC1CCCCC1)NC1CCCCC1 19319584 BGGPIMZEHWHRQH-UHFFFAOYSA-N 279.255 3.920 0 40 CHAB O=C1Nc2ccccc2/C1=C\c1ccccc1Cl 136974 DAVQJYXFWUIYRH-FMIVXFBMSA-N 255.704 3.833 0 40 CHAB Cc1cc(NC(=O)/C=C/c2ccccc2)c(C)cc1O 3076125 GMPQVAJROHKRGS-CMDGGOBGSA-N 267.328 3.661 0 40 CHAB CCS[C@@H](C)C[C@H]1CC(=O)c2nc(CC)oc2C1 5508725 WHFXMHVIMZTIOR-UWVGGRQHSA-N 267.394 3.514 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(F)c(Cl)c1 5616700 PTSGXPUQBJHPLU-QMTHXVAHSA-N 299.773 3.553 0 40 CHAB C[C@@H]1CCCN(C(=O)CSCc2cccc(Cl)c2)C1 13675436 GZJXQAMFOUZUIZ-GFCCVEGCSA-N 297.851 3.832 0 40 CHAB Cc1ccc(C(=O)[C@H](CC(C)C)N2CCCC2)cc1 13682196 GMWFVXBLHOYMAG-INIZCTEOSA-N 259.393 3.688 0 40 CHAB CC(C)(C)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 14982352 VVQFKBSPDUDXMN-ZDUSSCGKSA-N 287.325 3.877 0 40 CHAB CCOC(=O)Nc1cc(F)cc(C(F)(F)F)c1F 1682750 MEJYGXYMUJBNPW-UHFFFAOYSA-N 269.169 3.552 0 40 CHAB O=C1O[C@H](Nc2cccc3ncccc23)c2ccccc21 2431581 PYHLGIWFQBOINA-INIZCTEOSA-N 276.295 3.516 0 40 CHAB CC(C)(C)OC(=O)c1cccc(C(=O)OC(C)(C)C)c1 1764725 JCBDRGVENJADNA-UHFFFAOYSA-N 278.348 3.597 0 40 CHAB O=C(/C=C\c1ccccc1)OCc1cc(-c2ccco2)on1 35589973 VEBDVONGKNCZRT-HJWRWDBZSA-N 295.294 3.691 0 40 CHAB O=C(c1ccc(OC(F)(F)C(F)F)cc1)C1CC1 575360845 JTBWYKOZNKYXLH-UHFFFAOYSA-N 262.202 3.516 0 40 CHAB C[C@@H](NC(=O)N(C)Cc1ccsc1)c1ccccc1 40477820 JNMAECDXECIYGT-GFCCVEGCSA-N 274.389 3.651 0 40 CHAB CC(=O)c1cccc(NC(=O)[C@H]2[C@H]3CCCCC=C[C@@H]32)c1 382576 JGHLKYZOSXUQGC-YESZJQIVSA-N 283.371 3.820 0 40 CHAB CC(C)CC(=O)Nc1cccc(-c2nc3ncccc3o2)c1 72520 RONBSLWCJWUAAG-UHFFFAOYSA-N 295.342 3.874 0 40 CHAB O=C(Oc1ccc(Cl)cc1)c1ccc2snnc2c1 205171 LWOQOJGVHUYGTN-UHFFFAOYSA-N 290.731 3.564 0 40 CHAB CCCC[C@H](CC)[C@H](O)P(=O)(OCC)OCC 1600147 LYZYTTBSSWSJDI-NWDGAFQWSA-N 266.318 3.787 0 40 CHAB CC[C@H](C)n1cc(/C=C2\NC(=O)N=C2O)c2ccccc21 33286442 SXTTULFGFHDIBZ-AAIQCTMTSA-N 283.331 3.633 0 40 CHAB CCC(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 578767 SOXSPHSAFYWAON-UHFFFAOYSA-N 275.160 3.952 0 40 CHAB COc1ccc(Br)cc1CN1CCCC[C@H]1C 23281478 JAIMLDUJZGEJBI-LLVKDONJSA-N 298.224 3.832 0 40 CHAB CCCC(=O)c1cc(Cl)cc(Br)c1O 52068524 YEPGWVTVGNPKBG-UHFFFAOYSA-N 277.545 3.791 0 40 CHAB CN(C)c1ccc2cc(Br)ccc2c1 34574374 HMYIKSDOYFWBFW-UHFFFAOYSA-N 250.139 3.668 0 40 CHAB O=[S@](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1 58132482 IWNGQGGCBKBSIZ-GOSISDBHSA-N 282.767 3.928 0 40 CHAB C[C@H](NCc1cccc(OC(F)(F)F)c1)c1ccccn1 69950175 QBJMJNGAGQKJGT-NSHDSACASA-N 296.292 3.831 0 40 CHAB COc1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 3432744 RAGNKQPJPVXQEQ-UHFFFAOYSA-N 295.338 3.931 0 40 CHAB COc1ccccc1/C=C/c1nnc(-c2ccccc2)o1 8306487 AYOLUVGEDBBSFQ-VAWYXSNFSA-N 278.311 3.916 0 40 CHAB Cc1ccc(NC(=S)Nc2cccnc2)cc1C 6331784 IIJVWCHJGYYMQC-UHFFFAOYSA-N 257.362 3.507 0 40 CHAB COc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 5424647 BISYAEJRHCEWHE-UHFFFAOYSA-N 258.708 3.892 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccco1 14423336 ANOHDXHFCNMCEY-VQHVLOKHSA-N 267.328 3.581 0 40 CHAB c1ccc2cc(OCC[C@@H]3CCCNC3)ccc2c1 14632380 ZWOFPTCLPBLWBL-AWEZNQCLSA-N 255.361 3.608 0 40 CHAB C(=C/c1nc2ccccc2o1)\c1ccc2c(c1)OCCO2 8520632 RDEVZERXVRMPOW-SOFGYWHQSA-N 279.295 3.769 0 40 CHAB Cc1ccc(-c2csc3[nH]c(=S)[nH]c(=O)c23)c(C)c1 17949247 GELPJKNAFSIFSE-UHFFFAOYSA-N 288.397 3.931 0 40 CHAB CC[C@H](N[C@H](C)c1ccc(C)o1)c1c(C)noc1C 90886177 JJGIQAJUBPSIPV-MFKMUULPSA-N 262.353 3.995 0 40 CHAB C[C@H](NC(=O)/C=C/c1cccs1)c1cccs1 9447405 WANVIPZLQJVPJJ-FGEFZZPRSA-N 263.387 3.700 0 40 CHAB O=c1c(-c2ccccc2Cl)coc2cc(O)cc(O)c12 94993400 JHHIXMLRBKTPEW-UHFFFAOYSA-N 288.686 3.525 0 40 CHAB Cc1cc(/C=C/C(=O)O)cc(C)c1OCc1ccccc1 20526389 NDPWZPZNSASYKB-CMDGGOBGSA-N 282.339 3.980 0 40 CHAB CSCc1cc(F)ccc1CNCc1csc(C)n1 88751571 BSYFMNOVJMUYNP-UHFFFAOYSA-N 296.436 3.743 0 40 CHAB COc1ccc2oc(C)c(-c3nc(C4CC4)no3)c2c1 89534372 ZWCFKJGWHTVLDI-UHFFFAOYSA-N 270.288 3.677 0 40 CHAB O=C(Nc1ccc2sncc2c1)c1ccc(F)cc1F 188243112 HPQDJLRIQJPOBH-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB CC[C@H](C)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 181308352 VTNLXFTVCDXWHM-IUCAKERBSA-N 277.334 3.511 0 40 CHAB C[C@H](c1cccnc1)N(C)Cc1cccc2[nH]ccc12 183730955 HUXVSBNYTDQPCP-CYBMUJFWSA-N 265.360 3.756 0 40 CHAB O=c1c(NCCC2=CCCCC2)nccn1-c1ccccc1 6914810 KPMCZZWCVBOMLH-UHFFFAOYSA-N 295.386 3.535 0 40 CHAB CCN(CC)c1ncccc1[C@@H]1CCCN1CC(C)C 72212899 OEWXVBAERRMTRZ-INIZCTEOSA-N 275.440 3.721 0 40 CHAB COC(=O)c1ccc(-c2nc[nH]c2-c2ccsc2)cc1 73633050 NFYFARPKCMAFNL-UHFFFAOYSA-N 284.340 3.592 0 40 CHAB CCOc1ccc(C(=O)NCCC(C)C)cc1Cl 74949328 XWVJLTFNUCHPBN-UHFFFAOYSA-N 269.772 3.515 0 40 CHAB COC(=O)[C@@H](C)N1c2cc(Cl)ccc2C(C)=CC1(C)C 223825706 IVKGMIODCBKYEC-LLVKDONJSA-N 293.794 3.903 0 40 CHAB CCC(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223384791 DPHVEBRDUBXDSN-LBPRGKRZSA-N 263.381 3.714 0 40 CHAB CCOC(=O)c1cc(-c2ccccc2)ccc1OC 44201053 UCZPNQCYHAZNIM-UHFFFAOYSA-N 256.301 3.539 0 40 CHAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 225605260 PREKCLQUVVHTNT-KRWDZBQOSA-N 293.407 3.865 0 40 CHAB COc1c(C)cc(NC(=O)C2(C)CCCC2)cc1C 225598057 BJKQZKJSDCPBEF-UHFFFAOYSA-N 261.365 3.831 0 40 CHAB CCc1cc(Cl)ccc1OCC[C@H]1CCCCN1 42770965 CPKDYJOFEGNVCU-CQSZACIVSA-N 267.800 3.813 0 40 CHAB CCCNC(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223146164 UZDVPCPXJYCNKN-MRXNPFEDSA-N 274.408 3.726 0 40 CHAB Nc1cc(Cl)c(N2CCCCC2)c(Br)c1 45885772 QSUAABSDKWAMHX-UHFFFAOYSA-N 289.604 3.675 0 40 CHAB O=C(CCc1ccncc1)N(Cc1ccco1)C1CCCC1 96404127 UBFQXMCJVFNBLZ-UHFFFAOYSA-N 298.386 3.579 0 40 CHAB CCC[C@@H](Oc1ccc(/C=C/c2ccccc2)nc1)C(=O)O 256053911 UDIWXZVIZRENIG-OAGJVSPASA-N 297.354 3.884 0 40 CHAB Cc1cc2c(cc1O)[C@H]1O[C@@H](C)CC[C@@H]1C(C)(C)O2 257247880 JAZCFPOIMPTFEO-ITDIGPHOSA-N 262.349 3.728 0 40 CHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 251982923 GIXJWQWFZRJSRT-BNGPLYCXSA-N 281.446 3.625 0 40 CHAB COc1ccc(-c2csc(=Nc3ccccc3)n2C)cc1 252669100 GMDGRXFHQFSOJE-UHFFFAOYSA-N 296.395 3.995 0 40 CHAB COc1cc(OC)cc(C(=O)c2cc(C)c(C)cc2C)c1 95917377 PJYANNWDYRBIBI-UHFFFAOYSA-N 284.355 3.860 0 40 CHAB CC(C)NC(=O)Nc1ccccc1-c1cn2ccccc2n1 390829429 YPNCPIPSAQKMHO-UHFFFAOYSA-N 294.358 3.531 0 40 CHAB CC(C)Oc1c(F)c(F)c(F)c(F)c1OC(C)C 95917649 QZWHKSWAFYMGQH-UHFFFAOYSA-N 266.234 3.817 0 40 CHAB COc1ccc2nc(NC(=O)CC3=CCCC3)sc2c1 5720919 NZSWEQGTCYGPTP-UHFFFAOYSA-N 288.372 3.744 0 40 CHAB O=C1CN2CC[C@H]1C/C2=C\c1ccnc2c(Cl)cccc12 13146943 HREIQFLOPSXSOD-OXBCTQFSSA-N 298.773 3.524 0 40 CHAB CC1=CC=C/C(=C2/Nc3cc(F)ccc3N2C2CC2)C1=N 103500564 SNGUDDXPGCWKNT-PRYCOQAESA-N 281.334 3.967 0 40 CHAB CC(C)(C)C1CCC2(CC1)NC(=O)c1ccccc1O2 76872 STJVENDQRFTLCO-UHFFFAOYSA-N 273.376 3.741 0 40 CHAB Cc1cccc(NC(=O)N2CCc3sccc3C2)c1 10463990 SSRPCLALSLWSTO-UHFFFAOYSA-N 272.373 3.647 0 40 CHAB CC[C@H](CO)Nc1ncnc2sc(-c3ccccc3)cc12 20321416 LXBQVSXRDIXZRQ-GFCCVEGCSA-N 299.399 3.541 0 40 CHAB CC(C)C(=O)N[C@H](c1ccccc1)C(Cl)(Cl)Cl 372352 YVWZVNOQOQRGRP-SNVBAGLBSA-N 294.609 3.870 0 40 CHAB COc1ccc2c(c1)CS[C@H](c1ccccc1)C2=O 1743746 QHNGVLZCZBQBJQ-MRXNPFEDSA-N 270.353 3.866 0 40 CHAB CCOC(=O)c1c(C)[nH]c(CC)c1-c1ccccc1 3058454 XPPPUXYOQHTNBI-UHFFFAOYSA-N 257.333 3.729 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 3814412 CBMYJHIOYJEBSB-YSZCXEEOSA-N 292.463 3.751 0 40 CHAB endogenous,in-man CNc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 6714499 BEBBIMYXYGHVIN-UHFFFAOYSA-N 294.276 3.999 0 40 CHAB C[C@@H](NC(=O)c1cc2ccccc2s1)c1ccccn1 12536407 MNUQXIDEXKKSLJ-LLVKDONJSA-N 282.368 3.787 0 40 CHAB O=C1Nc2ccccc2N/C1=C/c1ccc2ccccc2n1 3260069 DFRXXDIGIYUHGV-GZTJUZNOSA-N 287.322 3.640 0 40 CHAB C[C@@H]1C[C@H]1C(=O)OCc1ccc(Cl)cc1Cl 3259538 HHVOGRFDSJSCMB-GMSGAONNSA-N 259.132 3.693 0 40 CHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC(=O)C2 58200759 VUQQUDLAAJRNMK-XLAORIBOSA-N 270.372 3.817 0 40 CHAB Cc1ccccc1[C@H]1CCCN1Cc1nnsc1Cl 48236917 AHFODSNXHWZQLH-CYBMUJFWSA-N 293.823 3.837 0 40 CHAB CCOc1ccccc1C(=O)Nc1ccccc1C(C)=O 3336457 UGQWGGMGBXVMQF-UHFFFAOYSA-N 283.327 3.540 0 40 CHAB CC[C@H]1CO[C@@H](Cn2c3ccccc3c3ccccc32)O1 2357056 OUEUSWBXKLGSDC-SCLBCKFNSA-N 281.355 3.946 0 40 CHAB COc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 12871180 JOOPYMOUDFLCNF-INIZCTEOSA-N 299.395 3.659 0 40 CHAB O=C(O)Cc1cccc(OCc2cccc(Cl)c2)c1 48806039 HDPXKGAGFFMDTM-UHFFFAOYSA-N 276.719 3.546 0 40 CHAB in-vitro CC[C@@H](C)c1ccc(NC(=O)c2cc(C(C)=O)c[nH]2)cc1 14086173 FWWRLHZTWVHCEM-LLVKDONJSA-N 284.359 3.983 0 40 CHAB O=C(NCC(F)(F)F)c1cc(-c2ccccc2)cs1 7785219 DOURSBHXYMIQQU-UHFFFAOYSA-N 285.290 3.707 0 40 CHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1c1ccc(F)cc1 71835208 ATEVPZOJIBNDIH-ARFHVFGLSA-N 299.345 3.886 0 40 CHAB Cc1cccc(NCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 19926638 WRHLGBBIJYRLJQ-UHFFFAOYSA-N 299.399 3.522 0 40 CHAB CC(=O)c1ccc(N(C)C)cc1OCc1ccccc1 83843749 OIYGHNDLKKDMPJ-UHFFFAOYSA-N 269.344 3.534 0 40 CHAB CC(C)(C)[C@H](NCc1noc(C2CC2)n1)c1cccs1 84169303 USLNADOISYNWKB-CYBMUJFWSA-N 291.420 3.886 0 40 CHAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(C=O)cc2)c1 89694765 SJPXWAIKVJDZHT-UHFFFAOYSA-N 297.354 3.755 0 40 CHAB Cc1ccc(-n2c[n+](C(C)(C)C)nc2-c2ccccc2)cc1 32815317 ORTSQOPCNGHSST-UHFFFAOYSA-N 292.406 3.890 0 40 CHAB CCOc1cc(C(=O)N2CCCCCC2)cc2occc12 72240156 IOWIUTSZOWQSRU-UHFFFAOYSA-N 287.359 3.848 0 40 CHAB C[C@@H]1CC[C@@](C)(C(=O)COC(=O)c2ccccc2)C1(C)C 3846096 DEVYPJFFYKGEEF-ACJLOTCBSA-N 288.387 3.875 0 40 CHAB biogenic COc1ccc(C(=O)c2ccc(F)cc2Cl)cc1 37358481 WOUOVUWMLCXZSG-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB COc1ccc(OC)c(-c2nc3c(C)cc(C)cc3[nH]2)c1 122387914 SSUQUNCVLCKSHX-UHFFFAOYSA-N 282.343 3.864 0 40 CHAB CN(c1ccccc1)c1ncccc1[C@H]1CCCCN1C=O 72214291 DURAJSBNVGTLIM-QGZVFWFLSA-N 295.386 3.533 0 40 CHAB Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1CC(C)C 72218702 DUNXLKNOYOBJTA-INIZCTEOSA-N 275.440 3.639 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1[C@@H](O)C2 123386956 YOGRGJCUTNCLJZ-CUZKMJQKSA-N 292.463 3.751 0 40 CHAB CCN(CC)c1ncccc1[C@H]1CCCCN1C(C)C 72212917 JUEIRAGVQPAVOU-MRXNPFEDSA-N 275.440 3.863 0 40 CHAB COc1cccc(C[S@@](=O)[C@H](C)c2ccccc2F)c1 78556251 GHPZPTGGKDRUBW-ODXCJYRJSA-N 292.375 3.844 0 40 CHAB Cc1cc(N)cc(C)c1NC(=O)c1ccccc1Cl 45888777 KLYYQBKHMJNSBV-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CCCCN(C)C(=O)Nc1ccc(C(=O)OCCC)cc1 48331634 KZEXXXSWYWTXCG-UHFFFAOYSA-N 292.379 3.517 0 40 CHAB CC[C@H](C)c1ccc(OC2CCNCC2)c(Cl)c1 42775056 ANCXXXDTJANCGL-NSHDSACASA-N 267.800 3.984 0 40 CHAB Cc1cc(C)c(C(=O)N(C)c2ccccc2)cc1C 225645175 HIDRETANHVAEKJ-UHFFFAOYSA-N 253.345 3.888 0 40 CHAB Cc1cc(OCC(=O)Nc2ccccc2)c2ccccc2n1 192192051 PINWOXLFBSQKTA-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1cccc(Cl)c1 222966340 PUJSDSFKEQYYAP-GFCCVEGCSA-N 285.774 3.860 0 40 CHAB Cc1cccc2cc(C(=O)NCCc3ccccc3)oc12 148086350 OFOMPQYLQMHKIR-UHFFFAOYSA-N 279.339 3.714 0 40 CHAB OC1CCC(N[C@@H]2CCSc3c(Cl)cccc32)CC1 90799908 GCMRMPVCTKPUOA-QIMFLAQGSA-N 297.851 3.770 0 40 CHAB Cc1ncsc1CN[C@@H](CC(C)C)c1ccccn1 96476674 FEQZQEDNIMMYKZ-AWEZNQCLSA-N 275.421 3.724 0 40 CHAB Cc1nn(C2CCCC2)cc1CNCc1ccccc1 256052921 PEJOYPVMOIFRFR-UHFFFAOYSA-N 269.392 3.596 0 40 CHAB CC1(C)[C@H](O)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257277703 NZBLNTHLVYJSCB-MAPUTHEBSA-N 272.388 3.561 0 40 CHAB Clc1nc(NCc2ccsc2)c2ccccc2n1 63151342 KJOOOHMIQIOOIR-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB CCc1cccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1 11658479 NNXZQMFDNDGMLJ-ZDUSSCGKSA-N 299.370 3.664 0 40 CHAB Cc1cc([C@@H]2CCCCCN2Cc2cccc(O)c2)no1 19119423 HPBOQKLELFYTQU-KRWDZBQOSA-N 286.375 3.806 0 40 CHAB Cc1cccc(NC(=O)c2ccnc(Cl)c2)c1C 19813559 HDIZKCREAUFHOS-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB Cc1ccc(Sc2cc3ccccc3n3nnnc23)cc1 28405901 IVBPCRHEZFNZSO-UHFFFAOYSA-N 292.367 3.737 0 40 CHAB CCN(CC)c1ccc(C(=O)Cc2ccccc2)cc1 8715615 ZXGKLUAPQKWQHP-UHFFFAOYSA-N 267.372 3.958 0 40 CHAB O=C1[C@H]2CCC[C@H]2C1(c1ccccc1)c1ccccc1 1684253 LZRARGDGJOHTHL-DLBZAZTESA-N 262.352 3.972 0 40 CHAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1C 10404254 PDFGBPKQGNZWGV-UHFFFAOYSA-N 297.354 3.603 0 40 CHAB CCCC(=O)N(C1=C[C@H]2CC[C@H](C1)N2C)c1ccccc1 100340645 SYSPQRFVFQBMND-HZPDHXFCSA-N 284.403 3.570 0 40 CHAB Cc1cccc(CC[C@@H](C)Nc2cccc(C(N)=O)c2)c1 40500487 WSLKHKYJNNUEPV-CQSZACIVSA-N 282.387 3.527 0 40 CHAB S=C(NCCSc1ccccc1)Nc1ccccc1 18165600 NGMWSIDKFLFFBD-UHFFFAOYSA-N 288.441 3.765 0 40 CHAB C[C@@H](Sc1cccc2cccnc12)C(=O)NC(C)(C)C 52424431 PYYNQTDZWABSNF-LLVKDONJSA-N 288.416 3.630 0 40 CHAB O[C@H](c1ccccc1)[C@H](Cc1ccccc1)N1CCCCC1 1668056 HUGKXSARDXPQDU-VQTJNVASSA-N 295.426 3.817 0 40 CHAB CC(=O)Oc1ccc(N2CC=C(c3ccccc3)CC2)cc1 1688545 OWPAVVSQJCBUAZ-UHFFFAOYSA-N 293.366 3.906 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)OCCOc2ccccc2)C1(C)C 1719055 PLYKECUVQBIVEJ-HOTGVXAUSA-N 288.387 3.847 0 40 CHAB Brc1ccc(-c2cnc3n2CCCC3)cc1 494713 HCJNLAMCRCKSSQ-UHFFFAOYSA-N 277.165 3.649 0 40 CHAB COc1ccc(C(=O)c2cc3ccc(OC)cc3o2)cc1 21993741 UHMCDUGSNVVDEB-UHFFFAOYSA-N 282.295 3.681 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cccc(OC)c1 580861 GTCJEFNLHGQDBN-UHFFFAOYSA-N 269.344 3.818 0 40 CHAB CCOc1cc(CN[C@H](C)CC)cc(Cl)c1OC 8325893 BBWKFIRFVCUASK-SNVBAGLBSA-N 271.788 3.635 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1ccc(C)c(F)c1F 796963 DHJBSSAFFXBGIW-LLVKDONJSA-N 267.319 3.678 0 40 CHAB Cc1noc(CNc2ccccc2Oc2ccccc2)n1 24661939 LDXDFNPKHANDLN-UHFFFAOYSA-N 281.315 3.782 0 40 CHAB C[C@H](NC(=O)c1csc2ccccc12)c1ccccn1 12536871 XKVYZOZAMZZIEY-NSHDSACASA-N 282.368 3.787 0 40 CHAB CCc1c(C)nn(-c2nc(-c3ccccc3)cs2)c1O 100177524 NITSLLJSCFDSNQ-UHFFFAOYSA-N 285.372 3.572 0 40 CHAB COCCOc1cccc(NCc2ccccc2C)c1 37777563 URYAPVYYZOUIQJ-UHFFFAOYSA-N 271.360 3.632 0 40 CHAB Cc1ccc(C)c(OC(=O)/C=C/c2ccco2)c1C 3250839 CGOXLDYMBHFZRI-CMDGGOBGSA-N 256.301 3.824 0 40 CHAB O=C(Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 3269849 ZSQKWFLSMUVVNC-UHFFFAOYSA-N 270.719 3.642 0 40 CHAB Cc1cccc(C(=O)Nc2nc(-c3ccccc3)ns2)c1 27664110 IFIPMTYIYFBKDL-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CSc1ccc(C(=O)c2ccc(CN3CCC3)cc2)cc1 2514613 RIXFPGAWSQVILR-UHFFFAOYSA-N 297.423 3.845 0 40 CHAB CCCc1n[nH]c(S[C@H](C)c2cccc(F)c2)n1 48705888 BWWFBNKGWBDXFO-SECBINFHSA-N 265.357 3.750 0 40 CHAB Cc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)n1 13004224 IVWHXBTYEHOXBD-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB COCc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1 14171123 FQQVZLKVEQAEGU-CQSZACIVSA-N 283.371 3.632 0 40 CHAB C[C@H]1C[C@H]1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 14199306 ZOVVTZGROAUXGD-YVEFUNNKSA-N 299.345 3.890 0 40 CHAB CC(C)n1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1 65623049 WQEVBGMPGCBPHU-UHFFFAOYSA-N 297.280 3.735 0 40 CHAB O=C(COc1ccc(Cl)cc1)c1ccc(F)cc1 6584845 YCXRCVOCLUVYQT-UHFFFAOYSA-N 264.683 3.741 0 40 CHAB COc1ccc(C(=O)Nc2nccs2)c2ccccc12 9450480 CEYZUPGJBYEVMW-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB Cc1ccc(CSc2nnc(NC3CC3)s2)cc1 7577434 JZJREGNPPJOVJU-UHFFFAOYSA-N 277.418 3.713 0 40 CHAB Cc1cc2nc(NC3CCCCC3)c3ccccc3n2n1 7737993 SGMBPLBPAFHINK-UHFFFAOYSA-N 280.375 3.936 0 40 CHAB CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccccn12 19898719 KWARZNMBHDPVSB-UHFFFAOYSA-N 285.734 3.613 0 40 CHAB Cc1noc(C)c1NC(=O)C[C@@H]1CCCc2ccccc21 71888049 MMWXOXRULZIIIJ-AWEZNQCLSA-N 284.359 3.740 0 40 CHAB CC(C)n1cc([C@H](C)N[C@@H]2CCc3c(O)cccc32)cn1 95421940 QMPXRMXNGQRQTC-BLLLJJGKSA-N 285.391 3.508 0 40 CHAB CCC[C@@H](N[C@H](C)CC(C)C)C(=O)OC(C)(C)C 95943402 MAQRMAIOFOFNPX-CHWSQXEVSA-N 257.418 3.521 0 40 CHAB COc1ccc(OC(C)C)c(NCc2csc(C)n2)c1 86206841 QPOGTQDFYOGXFT-UHFFFAOYSA-N 292.404 3.859 0 40 CHAB CCC[C@H](C)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 75106606 XCCXKDRCIQRJCB-UONOGXRCSA-N 299.418 3.794 0 40 CHAB CSc1ccc2cc3cc(C(=O)O)sc3nc2c1 34776455 UWYZZWLZDHOSCL-UHFFFAOYSA-N 275.354 3.870 0 40 CHAB FC(F)(F)c1ccccc1-n1cnc(Br)c1 72193540 LZFJLSPNLFEGQL-UHFFFAOYSA-N 291.070 3.654 0 40 CHAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccoc1 72221633 RRSMHEXCMOQOLT-HNNXBMFYSA-N 255.317 3.647 0 40 CHAB COc1ccc([C@H]2CC(=O)c3ccccc3C2)cc1 39203607 FKHGBDZJCJCGQW-CQSZACIVSA-N 252.313 3.608 0 40 CHAB O=C(O)c1ccccc1Nc1ccnc2ccccc12 33755907 VAYWXCMEIWUYBK-UHFFFAOYSA-N 264.284 3.677 0 40 CHAB C[C@H](OCC1CC1)c1ccc(Br)cc1 72209995 CUHSHUWHDMPZHF-VIFPVBQESA-N 255.155 3.937 0 40 CHAB Cc1cc(O[C@@H](C)C(=O)NC2CCCC2)cc(C)c1Cl 40913164 XFJVPGOYSPXDAD-LBPRGKRZSA-N 295.810 3.783 0 40 CHAB O=C(c1c(F)cccc1F)c1ccnc2ccccc12 83317056 NXXNZQVNCQUEMF-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB O=c1c(Br)c[nH]c2cc(Cl)c(Cl)cc12 41702160 RBECMAOZDWNJDH-UHFFFAOYSA-N 292.947 3.597 0 40 CHAB Cc1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 49535357 NSWRHQBNFJCHIU-INIZCTEOSA-N 297.398 3.511 0 40 CHAB COc1ccc(F)cc1-c1csc(Br)n1 41464315 TYJJGFYMTWXUHM-UHFFFAOYSA-N 288.141 3.720 0 40 CHAB O=C1NC(=S)/C(=C/Nc2cccc3ccccc23)S1 618255322 XDAKHNKJWBJAQJ-WQLSENKSSA-N 286.381 3.877 0 40 CHAB CCc1nc(C)cn1-c1ccc(Br)c(F)c1 95915957 LBWVBDJPZCLBLS-UHFFFAOYSA-N 283.144 3.645 0 40 CHAB CCc1c(-c2ccccc2)[nH]c2ccc(F)cc2c1=O 685938375 KOEXKCFDFQEDKP-UHFFFAOYSA-N 267.303 3.897 0 40 CHAB CC(=O)c1c(F)cccc1N[C@@H](C)C[C@H](O)c1ccco1 95449456 PRQOVFUTSLGLHB-HZMBPMFUSA-N 291.322 3.545 0 40 CHAB c1ccc(C(Sc2ncn[nH]2)c2ccccc2)cc1 5731386 JTEGBHNNLLIXMX-UHFFFAOYSA-N 267.357 3.686 0 40 CHAB Cc1cccc(CCCNC(=O)/C=C/c2ccc(F)cc2)c1 13632667 FOEKXPSCISAZNF-FMIVXFBMSA-N 297.373 3.896 0 40 CHAB CCC(CC)NC(=S)Nc1ccccc1Cl 13823679 GUEKXGOWWXGICV-UHFFFAOYSA-N 256.802 3.815 0 40 CHAB CCCCC(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1 226352167 BZSCHYQUWUPOIU-UHFFFAOYSA-N 287.315 3.774 0 40 CHAB O=C(NCc1cccnc1)c1ccc(-c2ccccc2)s1 6803478 ZPMDGVVDBMNPBT-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB CCCCc1oc2c(c(=O)c1CC)C(=O)CC(C)(C)C2 2059164 ACWMMNXVMASROF-UHFFFAOYSA-N 276.376 3.700 0 40 CHAB CO[C@H](CNc1nc2cnccc2s1)c1ccccc1C 1775970890 IVJZFZDDUFLVTF-CQSZACIVSA-N 299.399 3.799 0 40 CHAB CC(C)(C)c1nc(CN2CCC[C@@H]2c2ccsc2)no1 40105866 XLXZEHGJHNRLPM-GFCCVEGCSA-N 291.420 3.766 0 40 CHAB Cc1cccc(NC(=O)Nc2cccnc2Cl)c1 137611 KVEFHKFIBUQQOU-UHFFFAOYSA-N 261.712 3.687 0 40 CHAB CSc1ncc(-c2cccc(C(F)(F)F)c2)cn1 1397730 IZEXEIGEUUAAPE-UHFFFAOYSA-N 270.279 3.884 0 40 CHAB CCCCN(CCCC)C(=N)c1cccc(OC)c1 1583658 FAKFGAPDCJNJNN-UHFFFAOYSA-N 262.397 3.923 0 40 CHAB CCCCCCOC(=O)[C@@H](O)[C@@](C)(Cl)c1ccccc1 1734202 MHDWYAISCVMFJV-ZBFHGGJFSA-N 298.810 3.625 0 40 CHAB CC1(C)C[C@@](O)(Cc2ccccc2)[C@](C)(O)c2ccccc21 1744845 PCXPIXWGOMLLDR-UXHICEINSA-N 296.410 3.549 0 40 CHAB C[C@H](Cc1ccccc1F)C(=O)Nc1ccc2[nH]ncc2c1 78055404 SZZMASXSPQHAKJ-LLVKDONJSA-N 297.333 3.519 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2N 4073564 WDTAJXMIXADUTH-DHKQUUGRSA-N 291.479 3.717 0 40 CHAB biogenic Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)sc2c1 438105 XFGAHBKYMOWPIP-QJPTWQEYSA-N 286.400 3.979 0 40 CHAB Cc1ccc(F)cc1NC(=O)COc1c(C)cccc1C 6389003 XMFZKVLBJTZNCN-UHFFFAOYSA-N 287.334 3.768 0 40 CHAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(Cl)c[nH]1 23506067 ULSJLDBZRSLTFI-MRVPVSSYSA-N 298.720 3.780 0 40 CHAB C[C@H](CC(=O)O)CC(=O)c1cccc2ccccc12 43214220 QGZMTTKGJGSGSJ-NSHDSACASA-N 256.301 3.523 0 40 CHAB COc1cccc2cc([C@@H](C)NC(=O)C3CCCC3)oc12 25139532 NMVDLSNZUUIGAB-LLVKDONJSA-N 287.359 3.809 0 40 CHAB C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)CCC[C@H]1C 108926273 IEEWYRIOJGULGV-WWGRRREGSA-N 284.403 3.651 0 40 CHAB C[C@@H](Cc1cccs1)NC(=O)c1cccc(Cl)c1 3211508 DFHDOCAKFAMCND-JTQLQIEISA-N 279.792 3.763 0 40 CHAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1F 25439985 XFOAPDCOWXHITB-INIZCTEOSA-N 299.345 3.642 0 40 CHAB COc1ccccc1CN[C@H](C)c1cccc(NC(C)=O)c1 28924766 DSGGKXGBKPNQTK-CYBMUJFWSA-N 298.386 3.504 0 40 CHAB CC(C)(C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 12853295 NUQZUBKKWBEZDO-LLVKDONJSA-N 267.369 3.525 0 40 CHAB Cc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)cc1C 18195129 MMHAJGGDZFNXHO-UHFFFAOYSA-N 282.387 3.953 0 40 CHAB CCSc1ccccc1C(=O)N1CCC[C@@H](C)C1 5244483 IGRHPWURLDDQTE-GFCCVEGCSA-N 263.406 3.671 0 40 CHAB COc1ccccc1NC(=O)CCC1CCCCC1 4702915 DKLZKTYTQYHVEU-UHFFFAOYSA-N 261.365 3.994 0 40 CHAB O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2 19385335 UJDYQOGEHMBPET-UHFFFAOYSA-N 285.322 3.828 0 40 CHAB in-vitro Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2ccccc2)c1 7041987 ABWIXBRNEMKKKI-AWEZNQCLSA-N 268.360 3.743 0 40 CHAB CCOc1ccccc1NC(=O)c1cc2c(s1)CCC2 7310517 ZKMAKFXZVYHEQH-UHFFFAOYSA-N 287.384 3.888 0 40 CHAB CC[C@H](C)N[C@@H](C)c1ccccc1Br 19882214 ROSKTXKLTYIKJN-UWVGGRQHSA-N 256.187 3.898 0 40 CHAB CSc1ccc(NCc2nccn2C(C)C)cc1F 95965299 BWEKUZBXHIKQKD-UHFFFAOYSA-N 279.384 3.937 0 40 CHAB CCC1(CNC(=O)C[C@H](C)c2ccc(F)cc2)CC1 75105423 CEYOLECGUCAMIA-LBPRGKRZSA-N 263.356 3.626 0 40 CHAB FCc1nc2ccc(C(F)(F)F)cn2c1Br 642882004 RXBLSVFSGOHIMY-UHFFFAOYSA-N 297.049 3.585 0 40 CHAB CCCc1cc(C(=O)N[C@@H](CC)[C@H]2CCCO2)sc1C 89960444 DNOAOLNRBMLMCM-UONOGXRCSA-N 295.448 3.696 0 40 CHAB O[C@H](c1cccc(F)c1)c1ccccc1Br 39206774 FNOLIQBFMNUMST-CYBMUJFWSA-N 281.124 3.670 0 40 CHAB Cc1nc(-c2cccs2)ccc1C(=O)NCC(C)C 32196886 OMFMEXJFFLOPAB-UHFFFAOYSA-N 274.389 3.504 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1ccccc1 32889957 KOYHIYIEARGYLR-ZBFHGGJFSA-N 255.361 3.706 0 40 CHAB CC(C)N(C(=S)Nc1ccc2snnc2c1)C(C)C 33634927 HOPPMBCDTRYWHN-UHFFFAOYSA-N 294.449 3.507 0 40 CHAB COC(=O)/C=C/c1cccc(Oc2ccccc2)c1 38814642 GPKUSCCWJPPDPE-ZHACJKMWSA-N 254.285 3.665 0 40 CHAB O=C(NCCSC1CCCC1)c1ccc(Cl)cc1 46450194 NIHSNASJBHQRPL-UHFFFAOYSA-N 283.824 3.746 0 40 CHAB CC[C@H](NC(=O)Cc1ccccc1F)c1ccccc1C 225450637 HFACDMLNFXWEDC-KRWDZBQOSA-N 285.362 3.944 0 40 CHAB O=C(Nc1cccnc1)c1ccc(Oc2nccs2)cc1 77890200 IZZGYISVCUUBLL-UHFFFAOYSA-N 297.339 3.583 0 40 CHAB O=C(c1ccco1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 40817731 VFUKQKNXZHHOAI-AWEZNQCLSA-N 295.342 3.523 0 40 CHAB CCOC(C)(C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225646714 OFUFLOMWLXAYQM-LBPRGKRZSA-N 279.380 3.618 0 40 CHAB Cc1cc(C)cc(O[C@@H](Cc2ccc(C)c(C)c2)C(=O)O)c1 225033861 RDSXMYLTEKAHCS-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 224662400 JLBHFWPSHUZLQH-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB Cc1ccc(NC(=O)c2cc(-c3ccco3)cs2)nc1 96183676 UDFAXQZVBAXNOI-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB CC(C)n1cc([C@@H](CN)C(F)(F)F)c2ccccc21 96529469 UFMHAZWYJVYVBM-GFCCVEGCSA-N 270.298 3.827 0 40 CHAB COc1ccccc1C(=O)c1ccc(C)c(Cl)c1 95916411 ZXPBCKHZRAPMBI-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB Fc1ccc(CNCc2cccs2)cc1Cl 53155402 MDLREDPDHOVNOX-UHFFFAOYSA-N 255.745 3.830 0 40 CHAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1 164778 SPGGGKNPDWVLRC-ZHACJKMWSA-N 257.720 3.992 0 40 CHAB COc1cc(CNC2CC2)ccc1OCc1cccc(C)c1 16349274 POKSQEUNXFIQNR-UHFFFAOYSA-N 297.398 3.835 0 40 CHAB O=C(C1CC1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206877187 PPJNOHDSTHAFDQ-CQSZACIVSA-N 277.795 3.846 0 40 CHAB S=C(Nc1ccc(Cl)cc1)N1CCCCCC1 7557123 KKPBVPBHRCZJIS-UHFFFAOYSA-N 268.813 3.913 0 40 CHAB CC[C@@H](C)NC(=S)Nc1ccc(C(C)C)cc1 7522284 CYMZPBZKXYVBRX-LLVKDONJSA-N 250.411 3.895 0 40 CHAB Cc1ccc(Cl)cc1Nc1ccc(C(=O)O)cc1N 37930119 UZLJJEGTHNXETQ-UHFFFAOYSA-N 276.723 3.672 0 40 CHAB Cc1ccc(C(O)(c2ccc(C)cc2)c2ccccn2)cc1 4522332 FPIMNMKNIFZJKX-UHFFFAOYSA-N 289.378 3.983 0 40 CHAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(N)=O)(C4)C2)C3)cc1C 100217951 MQMWSIJSBQBGJG-GKVPXEHWSA-N 283.415 3.627 0 40 CHAB CO[C@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)CCc1ccccc1 20149864 PPIQTESFORMGPF-LIRRHRJNSA-N 299.414 3.693 0 40 CHAB CCCc1c(O)c2ccccc2n(-c2ccccc2)c1=O 100631074 MNICAKKRMSFVFM-UHFFFAOYSA-N 279.339 3.649 0 40 CHAB CCC1CCC(C(=O)Nc2ccc(OC)cc2)CC1 225597 NZVWBVSARJAAPY-UHFFFAOYSA-N 261.365 3.850 0 40 CHAB C[C@H](NC(=O)Nc1ccccn1)c1ccc(Cl)s1 46598842 CWNJYDKZBGCLLC-QMMMGPOBSA-N 281.768 3.679 0 40 CHAB C[C@H](NC(=O)c1ccc2ccccc2c1O)c1ccco1 32739478 IDOSGANLBLUAEW-NSHDSACASA-N 281.311 3.629 0 40 CHAB CCOc1cc2c(cc1[C@H](C)c1ccc(O)cc1)OCO2 1582479 WKOCPMXZEYOYOU-LLVKDONJSA-N 286.327 3.671 0 40 CHAB O=C(O)c1ccc(Cl)cc1CC(Cl)(Cl)Cl 1599863 FVZJORQVPTYQFG-UHFFFAOYSA-N 287.957 3.951 0 40 CHAB O=C1NC(c2ccccc2)(c2ccccc2)Cc2ccccc21 1713117 BNVIXDIOOBLBCE-UHFFFAOYSA-N 299.373 3.916 0 40 CHAB C[C@@H]1C(=O)OC[C@@H]1C(c1ccccc1)c1ccccc1 1734790 SORJRIYVSQTPMJ-BBRMVZONSA-N 266.340 3.628 0 40 CHAB Nc1nc(-c2ccc3c4c(cccc24)CC3)cs1 2455767 KSTVZQGDFQZWLS-UHFFFAOYSA-N 252.342 3.644 0 40 CHAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 32895214 JAKOICQHRPAZKN-VXGBXAGGSA-N 277.330 3.804 0 40 CHAB O=C(Nc1cccnc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 32841237 KWOJUBGEMIQKQS-BFHYXJOUSA-N 273.380 3.562 0 40 CHAB COc1cccc(CC(=O)Nc2ccc(Cl)cc2C)c1 3554013 REBSARODBKRRPB-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB COc1cccc(CSc2ccccc2C(=O)O)c1 6407296 NIJODZIEJABQBQ-UHFFFAOYSA-N 274.341 3.686 0 40 CHAB CN(Cc1cccs1)C(=O)c1cc2ccccc2cc1O 33000351 JVPXVJZDQAKGPS-UHFFFAOYSA-N 297.379 3.879 0 40 CHAB Cc1nc2c(-c3ccc(Cl)cc3)c(C)nn2c(O)c1C 102801784 KTOYUZAWDSVHQX-UHFFFAOYSA-N 287.750 3.681 0 40 CHAB Cc1ccc2c(c1)[nH]c1c(N3C[C@@H](C)C[C@H](C)C3)ncnc12 544387 MJNFFGIXKKHGTG-STQMWFEESA-N 294.402 3.902 0 40 CHAB O=C(O)[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 20271640 DRKGAIBVTVXIIB-CYBMUJFWSA-N 295.260 3.943 0 40 CHAB O=C(c1ccco1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166304 VICGGEFIUBNHBN-HOTGVXAUSA-N 299.345 3.970 0 40 CHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)c1cncc(F)c1 97037111 REWJRUIVUVOESO-LBPRGKRZSA-N 299.349 3.521 0 40 CHAB ClC1(Cl)C[C@H]1CSc1nnc(-c2ccco2)o1 804767 QVIMPJSLNGSRGE-LURJTMIESA-N 291.159 3.616 0 40 CHAB CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 106341639 GWFPZNWTHIITBJ-IRXDYDNUSA-N 299.801 3.868 0 40 CHAB CCC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1Cl 1874016 ANUOYPJLLANBOF-MNOVXSKESA-N 297.782 3.806 0 40 CHAB O=C1Nc2ccccc2S/C1=C\c1cccs1 26894424 TVXDSWUMDVVFSL-WQLSENKSSA-N 259.355 3.833 0 40 CHAB CC(=O)c1cccc(NC(=O)CSc2ccccc2)c1 3373980 OJNOVVLQJSNASM-UHFFFAOYSA-N 285.368 3.620 0 40 CHAB CCCCCNC(=O)c1cccc2c3c([nH]c12)CCCC3 27605434 XAYZXBSKKVUHAT-UHFFFAOYSA-N 284.403 3.967 0 40 CHAB C[C@H](NC(=O)c1ccc[nH]c1=S)c1ccc(F)c(F)c1 10215615 JONGERPNRIPTDK-QMMMGPOBSA-N 294.326 3.513 0 40 CHAB CNCc1ccc(-c2ccc(Br)c(C)c2)o1 20875778 RTWQIRHEESQIHA-UHFFFAOYSA-N 280.165 3.737 0 40 CHAB Cc1cc2nc(-c3ccc(C)c(N)c3)[nH]c2cc1C 45954326 DRVIGYYAYJNKOD-UHFFFAOYSA-N 251.333 3.737 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)Nc2ccccc2)n1 3413753 UKQBWAAAPKLARN-JTQLQIEISA-N 278.402 3.571 0 40 CHAB Cc1ccc(F)cc1NC(=O)CCCOc1ccccc1 3566293 OLQNEPYHLPVZEV-UHFFFAOYSA-N 287.334 3.932 0 40 CHAB CCCCNC(=O)N[C@H](CC)c1ccc(Cl)cc1 13329017 UZGCGQUNBZCMNC-CYBMUJFWSA-N 268.788 3.890 0 40 CHAB O=C(O)CCCc1c(-c2ccccn2)[nH]c2ccccc12 4137065 OTJKGBQLRICAAV-UHFFFAOYSA-N 280.327 3.637 0 40 CHAB c1ccc(COc2ccc(CNc3ccccn3)cc2)nc1 69831515 JMXQDOCNJPRIKG-UHFFFAOYSA-N 291.354 3.668 0 40 CHAB Cc1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)no1 8707693 WDHZOYRGGUGDNM-UHFFFAOYSA-N 285.225 3.646 0 40 CHAB CN[C@@H](C)Cc1ccccc1Sc1ccc(OC)cc1 5368256 LMOYFNNOXLRLDZ-ZDUSSCGKSA-N 287.428 3.997 0 40 CHAB CCc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1 14248166 GTUVVGCWEAVPTM-CYBMUJFWSA-N 283.371 3.749 0 40 CHAB CN(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1 28210476 OIKCYDKBFSZONM-UHFFFAOYSA-N 293.288 3.978 0 40 CHAB COc1ccccc1NC(=O)N[C@@H](C)CCc1ccccc1 8221090 SRYADFATXDZKIH-AWEZNQCLSA-N 298.386 3.838 0 40 CHAB COc1cccc2c1N(Cc1sc(C)nc1C)CCC2 72296396 GAFJASYOPRQYHX-UHFFFAOYSA-N 288.416 3.721 0 40 CHAB C[C@@H](NCc1cccc(CN(C)C)c1)c1cccc(F)c1 95419686 XCPIITXBSYIGHD-CQSZACIVSA-N 286.394 3.738 0 40 CHAB CCOc1ncccc1CN[C@@H](C)c1ccc(C)s1 95420090 XCKUDSJRQALNRN-LBPRGKRZSA-N 276.405 3.701 0 40 CHAB C[C@@H](NCC1(c2cccs2)CCCC1)c1cnccn1 95421412 ANJAGBBPAHMPKU-CYBMUJFWSA-N 287.432 3.701 0 40 CHAB CC(C)C[C@H]1CCCCN1C(=O)Nc1nccs1 89821107 PFVFSMJTQUYCRB-LLVKDONJSA-N 267.398 3.576 0 40 CHAB CC[C@H](Cc1c(OC)ccc2ccccc12)C(=O)O 62711187 NZBMJRFPCMGEDO-LLVKDONJSA-N 258.317 3.502 0 40 CHAB C[C@@]1(c2ccccc2)OC(=N)Nc2ccc(Cl)cc21 35088655 PGSDPKVMKMOURZ-HNNXBMFYSA-N 272.735 3.980 0 40 CHAB in-vitro Cc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223216110 GORYXHMCHMPDHD-HNNXBMFYSA-N 293.410 3.904 0 40 CHAB CCc1ccc(C(=O)C(Cl)(Cl)Cl)cc1 78583149 ZLAUQUOYAJRTJF-UHFFFAOYSA-N 251.540 3.802 0 40 CHAB COc1cccc(OC)c1C(=O)NC1CCCCCCC1 5527488 ROHKKGSHUCXCTC-UHFFFAOYSA-N 291.391 3.547 0 40 CHAB C/C=C/C=C1\N=C(c2ccc(Cl)c(Cl)c2)OC1=O 13119031 NNZGOFBGWJBFRU-ICKRUQPGSA-N 282.126 3.757 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccccc1 15471801 XYMDDLYYCFBABL-CQSZACIVSA-N 283.371 3.505 0 40 CHAB COc1cccc(C2=Nc3cc(C)c(C)cc3NC(=O)C2)c1 15829911 VGCSHPDNHKTPJH-UHFFFAOYSA-N 294.354 3.775 0 40 CHAB CC(C)CC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1 226352665 PNUAUFIHLXNCTA-UHFFFAOYSA-N 287.315 3.629 0 40 CHAB COc1ccc2c(c1)CCN[C@H]2c1ccc(Cl)cc1 19625712 RICTYUOVIOEWRA-INIZCTEOSA-N 273.763 3.584 0 40 CHAB C[C@@H](NC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 5443957 SATHZYHPMVPTNQ-SFCYXTAJSA-N 273.376 3.614 0 40 CHAB CO[C@@H](CNC(=O)c1cccc2ccccc12)c1ccco1 206859353 RMBXYSKYANIHOE-KRWDZBQOSA-N 295.338 3.550 0 40 CHAB COc1ccc(-c2c(C)c3cc(OC)ccc3oc2=O)cc1 58065 RFKYCUZYUASZBI-UHFFFAOYSA-N 296.322 3.786 0 40 CHAB biogenic Cc1cc(C)c2nc(-c3ccccc3F)oc(=O)c2c1 49055 JXFMZCJGQPKAHX-UHFFFAOYSA-N 269.275 3.611 0 40 CHAB Cc1ccc(S(=O)(=O)NC2CCCCCC2)c(C)c1C 79843 KHROBSWAGNVICX-UHFFFAOYSA-N 295.448 3.613 0 40 CHAB c1ccc2oc(Oc3ccc(-c4nnco4)cc3)nc2c1 51206478 OHBDAAYRBWQFKW-UHFFFAOYSA-N 279.255 3.670 0 40 CHAB C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1ccccc1)C(=O)O 297071 BDMDXLRFUPFFHD-BBRMVZONSA-N 297.354 3.520 0 40 CHAB COc1ccccc1Sc1ccccc1CN(C)C 347786 QIVHSFHRURYWPB-UHFFFAOYSA-N 273.401 3.908 0 40 CHAB CC[C@@H](C)OC(=O)CSc1nc2ccccc2s1 120904 UOHUHDHNZYGPEA-SECBINFHSA-N 281.402 3.730 0 40 CHAB CCC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1Cl 32795113 QRWGDBMOANRAKC-MNOVXSKESA-N 268.788 3.889 0 40 CHAB CCCCCCNC(=O)Nc1cccc(C(C)=O)c1 41639240 LVLNTZZDXQZCQW-UHFFFAOYSA-N 262.353 3.591 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2)c(C)c1 59351601 AGTDDKNOJBFIPJ-HOTGVXAUSA-N 297.398 3.948 0 40 CHAB C[C@@H](N)C1=C(P(c2ccccc2)c2ccccc2)CC=C1 100032094 YPCAFNZQAHBZAN-OAHLLOKOSA-N 293.350 3.681 0 40 CHAB Cc1c(N)cccc1-c1nc2cc(Cl)ccc2[nH]1 22124505 IERWTHXOXVRBPB-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB C[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(F)cc1 3367749 RHCPRBRSUXBBQK-CYBMUJFWSA-N 283.346 3.735 0 40 CHAB C[C@H](NC(=O)Cc1ccsc1)c1ccccc1Cl 23482321 OWOAJBCOKOQTCU-JTQLQIEISA-N 279.792 3.821 0 40 CHAB Cc1ccc(CN(C)C(=O)Cc2ccc(Cl)cc2)cc1 20044482 QHTYFVMFWJCPAO-UHFFFAOYSA-N 287.790 3.850 0 40 CHAB C[C@@H](Oc1ccccc1Cl)C(=O)N(C)C1CCCC1 22517448 QHTRUKLGNBBCSO-LLVKDONJSA-N 281.783 3.508 0 40 CHAB O=C(Oc1ccc(-n2cccc2)cc1)c1cccs1 27795667 BJEZWFSNLDTPIY-UHFFFAOYSA-N 269.325 3.758 0 40 CHAB CCOc1cc2ccccc2cc1C(=O)NCc1ccco1 12774860 UAHHBECHIGBAJK-UHFFFAOYSA-N 295.338 3.762 0 40 CHAB CC(C)c1ccc(OCCNC(=O)C[C@H]2C=CCC2)cc1 48333606 XUJKZICIBHFQRV-HNNXBMFYSA-N 287.403 3.661 0 40 CHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nccs1 3549569 DJWMDFBMNVVDEL-VIFPVBQESA-N 296.779 3.511 0 40 CHAB CN(C(=O)c1cccc2cccnc12)c1ccccc1 12906066 CIGNVNFBFCKZIS-UHFFFAOYSA-N 262.312 3.511 0 40 CHAB CSc1cccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 13737202 QFVNBSDTVMZLJM-TXEJJXNPSA-N 278.421 3.918 0 40 CHAB Cc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)o1 6279016 DDGCLOXQNHLZJB-UHFFFAOYSA-N 294.354 3.941 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)C1CCCC1 20457143 JNIZWPDOCJHJFX-MRXNPFEDSA-N 289.419 3.862 0 40 CHAB Cc1cc(C(=O)Nc2ncccc2C)c2ccc(F)cc2n1 65621726 JLAWINBBGYUQSN-UHFFFAOYSA-N 295.317 3.638 0 40 CHAB C[C@](O)(C1CCCCC1)[C@@](C)(O)C1CCCCC1 68592063 NVGONKHUJZLNDX-HOTGVXAUSA-N 254.414 3.649 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20137441 XDBCRTJCZWDHAK-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB COc1ccc(COc2ccc(Cl)cc2C=O)cc1 9237602 PGHRBRKFLIATFN-UHFFFAOYSA-N 276.719 3.740 0 40 CHAB Cc1cc(C)c(CN[C@@H](C)c2nnc3ccccn23)c(C)c1 15593802 DTWXSAVLINWTFK-HNNXBMFYSA-N 294.402 3.505 0 40 CHAB Cc1nc(NC(C)C)sc1C(=O)Nc1ccccc1 7763090 MFRASYMRUJADFM-UHFFFAOYSA-N 275.377 3.524 0 40 CHAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc(Cl)c1 17908530 CQVUAZBLDKMSQK-JTQLQIEISA-N 299.761 3.707 0 40 CHAB C[C@@H](Nc1ncccn1)c1ccc(-c2cccnc2)cc1 96447476 GHZPSDMOFPXLKB-CYBMUJFWSA-N 276.343 3.712 0 40 CHAB O=C(N[C@@H](c1ccccn1)C1CCCC1)C1CCCC1 72303685 AXOIGLMHXDQVMO-MRXNPFEDSA-N 272.392 3.619 0 40 CHAB CCc1c(Br)cccc1Br 97757730 FROIOESJRJZRFO-UHFFFAOYSA-N 263.960 3.774 0 40 CHAB CCCC(C)(C)NC(=O)[C@H]1C[C@H]1c1cccc(F)c1 84740024 UVGNUYICQBZGOC-KBPBESRZSA-N 263.356 3.624 0 40 CHAB CC(C)=CC(=O)Oc1cccc(Oc2cccnc2)c1 95456213 JWDDHDMLMRPBNB-UHFFFAOYSA-N 269.300 3.746 0 40 CHAB C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C1CCCC1 75107415 BAKJQOJZUFJJLZ-XJKSGUPXSA-N 257.377 3.581 0 40 CHAB Cc1nc(-c2ccccc2)sc1CNC(=O)C1CCC1 66554037 PKMZAZRAXUNYCQ-UHFFFAOYSA-N 286.400 3.535 0 40 CHAB Nc1nnc(-c2ccccc2-c2ccc(F)cc2)s1 27913811 ADQXPWCUHBNCKM-UHFFFAOYSA-N 271.320 3.593 0 40 CHAB COC[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 127495628 DCLWKIWDAOWICU-SRVKXCTJSA-N 291.313 3.678 0 40 CHAB O=C(O)c1c(Cl)ccc(Cl)c1C(F)(F)F 35855930 PIFMLVIKZPUSGC-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB Cc1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1C 73640008 QRFVRMIYCJFKBH-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB Cc1ccc(-c2ccnc(C3CCNCC3)c2)cc1 72386729 KKHFFIAPUFWJLQ-UHFFFAOYSA-N 252.361 3.524 0 40 CHAB CCC(C)(C)NC(=S)Nc1cccc(OC(C)C)c1 225645273 JCGUERBKWSDSFI-UHFFFAOYSA-N 280.437 3.949 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)Cc1ccc(F)cc1 40621019 ZUKXPWPADCFXBL-UHFFFAOYSA-N 285.362 3.506 0 40 CHAB Cc1cccc(Nc2ccc(C(=O)N3CCCC3)cc2N)c1 225417304 BNTMSGOIKWRADN-UHFFFAOYSA-N 295.386 3.557 0 40 CHAB CCc1ccc(OCCNC(=O)c2ccc(C)c(C)c2)cc1 225164518 VFCWUTDYRHBDMS-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB Oc1c(Br)ccc(Cl)c1Br 197029230 IRDKAEPDVBTGRW-UHFFFAOYSA-N 286.350 3.571 0 40 CHAB Fc1ccc(CNCc2csc(C3CCC3)n2)cc1 95093919 BVJQSGIXSONFLB-UHFFFAOYSA-N 276.380 3.840 0 40 CHAB CCCCOc1c(F)cc(C(=O)C(F)(F)F)cc1F 95732742 LVBHDQRIOHPKHC-UHFFFAOYSA-N 282.208 3.889 0 40 CHAB C[C@H](Nc1cccc(C[S@@](C)=O)c1)c1ccccc1F 97232201 SRJYGHFTEHGGPW-YUNKPMOVSA-N 291.391 3.877 0 40 CHAB C[C@@H]1CCCN([C@H](CN)c2cccc(Cl)c2Cl)C1 242495600 GKTKLFLXYDSQAX-ZWNOBZJWSA-N 287.234 3.725 0 40 CHAB C[C@@H]1[C@@H](Nc2cccc(C[S@@](C)=O)c2)CCC[C@H]1C 253370550 SILIOTDCYBBNAK-IECZYAKXSA-N 279.449 3.802 0 40 CHAB CCCCN(CC)C(=O)c1ccccc1Br 2739655 KNFQWDAKTKPAJP-UHFFFAOYSA-N 284.197 3.711 0 40 CHAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc2c(N)cccc12 685938668 YURCQHFNAPJBCI-TXEJJXNPSA-N 269.392 3.608 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)CC[C@@H](N)c1ccccc1 95947920 JXJUDOWNFXSLKZ-MAUKXSAKSA-N 296.414 3.686 0 40 CHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccs1 326287 GSBQBMMGVLWGCR-WQLSENKSSA-N 289.743 3.746 0 40 CHAB CCCC[C@H]1[C@H](C)C1(Br)Br 2144933 VVXFDFGQTPWSOD-BQBZGAKWSA-N 270.008 3.929 0 40 CHAB CC[C@H](C)OC(O[C@@H](C)CC)C(=O)c1ccccc1 5925094 OHQSQCACEXDHAJ-STQMWFEESA-N 264.365 3.826 0 40 CHAB COc1ccc(/C=C(/C(=O)O)C2=CCCCC2)cc1OC 1665299 ZIXPQYBTDBMPGJ-GXDHUFHOSA-N 288.343 3.672 0 40 CHAB O=C(NCCC1=CCCCC1)c1c[nH]c2ccccc12 32736327 JOUQCCYYAOXHDA-UHFFFAOYSA-N 268.360 3.788 0 40 CHAB COc1oc(-c2ccccc2C)nc1C(F)(F)F 118750 KDZXOONKTLBZRY-UHFFFAOYSA-N 257.211 3.677 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1c[nH]c2ccccc12 5299881 SPRIUNZPZBWWKA-DGCLKSJQSA-N 271.364 3.868 0 40 CHAB Cc1ccc2oc(C(=O)N[C@H](C)c3ccccc3)cc2n1 8793796 WYTLTLRZKGTKQE-GFCCVEGCSA-N 280.327 3.627 0 40 CHAB O=C(Nc1onc2c1CCC2)c1ccc2ccccc2c1 8976429 GZQRSGKCPHOLIV-UHFFFAOYSA-N 278.311 3.569 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Oc1ccc(F)cc1 10449967 XRCOJZOQKGXWLI-QWHCGFSZSA-N 299.345 3.571 0 40 CHAB CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(C)o1 40098760 UOBCFQVJANXFPI-GFCCVEGCSA-N 288.347 3.869 0 40 CHAB O=C(NCc1ccc(Cl)cc1Cl)NC1CCCC1 30986629 FMRRCTDHDLNVHQ-UHFFFAOYSA-N 287.190 3.735 0 40 CHAB CC(C)CSc1nnc(COc2ccc(F)cc2)o1 40456924 DULMDPXQUJRRKM-UHFFFAOYSA-N 282.340 3.536 0 40 CHAB C1=C(c2nnc(Cc3ccccc3)o2)COc2ccccc21 20745172 KUPOUDFGTDHDMB-UHFFFAOYSA-N 290.322 3.593 0 40 CHAB c1ccc(C[C@]2(CNC3CC3)C[C@H]3CC[C@H]2C3)cc1 101531527 AKTLRJMZMPEHHU-XYJFISCASA-N 255.405 3.788 0 40 CHAB in-vitro CNCc1ccccc1Sc1ccc(OC)c(OC)c1 347785 RWAFMDVIGYZXSU-UHFFFAOYSA-N 289.400 3.574 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1cnc2ccccc2c1 100818 BOKGYMSKVSVWIU-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB CC(C)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 130435 UYXOOSUMAVSSKM-KRWDZBQOSA-N 297.354 3.589 0 40 CHAB Nc1nc(=S)cc(Nc2ccc(Cl)c(Cl)c2)[nH]1 1679321 ACMKRAQEHQGVPW-UHFFFAOYSA-N 287.175 3.772 0 40 CHAB O=C(CCn1cccc1)c1csc2ccccc12 1701090 ATDAEQFLQMNDOA-UHFFFAOYSA-N 255.342 3.976 0 40 CHAB C[C@@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@H]2O 2039580 RYWZPRVUQHMJFF-OKZBNKHCSA-N 268.356 3.736 0 40 CHAB CC(=O)SC[C@H](C)[C@@H]1CC[C@@H](C)[C@@H](SC(C)=O)C1 4706044 HGDCJIHXSWQFGW-QOBDMFJFSA-N 288.478 3.987 0 40 CHAB COc1ccccc1N1Cc2cc(C)c(C)cc2C1 6330687 WBHSEUHUBXNCAV-UHFFFAOYSA-N 253.345 3.832 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1 6469060 BHLSQXPDIPIYIW-GXFFZTMASA-N 250.317 3.526 0 40 CHAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(C(F)(F)F)c1 6925924 HAIIAJAXYIKTDK-DMDPSCGWSA-N 297.320 3.871 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccccc1 3217763 DTDLLIWDDAEFBA-CYBMUJFWSA-N 283.396 3.757 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC=CCC1)CC3 25542812 DCNYDSMIKXNRDZ-AWEZNQCLSA-N 294.398 3.717 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(Oc2ncccn2)cc1 48202271 WTFDVULIEXZSNV-CYBMUJFWSA-N 295.342 3.564 0 40 CHAB C[C@H](c1nc(-c2cccs2)no1)N(C)Cc1ccco1 58355998 MBPSUASWBXLVMU-SNVBAGLBSA-N 289.360 3.584 0 40 CHAB CCOC(=O)CCCCC(=O)c1cc(C)cc(C)c1 2378893 KIROJTJQCVUPEK-UHFFFAOYSA-N 262.349 3.610 0 40 CHAB CC(C)CCSc1ccc(/C=C/C(=O)O)cc1 12920033 AQBJFVCVLZWJTJ-VMPITWQZSA-N 250.363 3.923 0 40 CHAB O=C(Nc1cccc2cccnc12)c1ccc(F)c(F)c1 13012168 HQBHIOVYXFSOHQ-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB CC(C)[C@@H](CCNCc1cccnc1)c1ccco1 8990949 MWYIOJHPPUWWDW-OAHLLOKOSA-N 258.365 3.594 0 40 CHAB CCC(CC)NC(=O)c1cc2c(nc3sccn32)s1 9157071 KKHUCFVTLKTCEV-UHFFFAOYSA-N 293.417 3.529 0 40 CHAB Cc1cc(-c2nc3cc(Cl)ccc3[nH]2)ccc1N 20374745 DECOJZZKEOFWHO-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB Cc1ccc(NC(=O)CSc2nc(C)cs2)c(F)c1 7195640 OGCYHQOGOJKOGP-UHFFFAOYSA-N 296.392 3.630 0 40 CHAB O=C(N[C@@H]1C[C@H]1c1ccccc1)C1(c2ccccc2)CCC1 67512953 BXLLLBZWPBCJGF-ZWKOTPCHSA-N 291.394 3.781 0 40 CHAB Cc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)n1 9322537 ZRHLMOXOAQBXTD-UHFFFAOYSA-N 294.276 3.590 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(Cl)ccn1 8129476 PEHAJFDCTXMTCO-CQSZACIVSA-N 286.762 3.542 0 40 CHAB COc1ccc(SCC(=O)NC(C(C)C)C(C)C)cc1 20460355 ZBVKEQXNYBQJPD-UHFFFAOYSA-N 295.448 3.584 0 40 CHAB Cc1cccc(C)c1NC(=S)N1C[C@@H](C)C[C@@H](C)C1 18098855 DSNIDPHHWIMMTM-TXEJJXNPSA-N 276.449 3.978 0 40 CHAB CSc1ncccc1C(=O)Nc1cc(Cl)ccc1F 9494184 HDIXVPKJDSUDFO-UHFFFAOYSA-N 296.754 3.848 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccccc2)c1 20035737 PRWPSRBAKIJWOM-INIZCTEOSA-N 297.398 3.696 0 40 CHAB O=[S@](Cc1coc(-c2cccs2)n1)c1cccs1 95428112 HHQBUYGQJPUQPA-SFHVURJKSA-N 295.410 3.772 0 40 CHAB O=c1ccn(CCCOc2ccc(F)cc2)c2ccccc12 75142123 PUQLLJWHEXXAKA-UHFFFAOYSA-N 297.329 3.610 0 40 CHAB O=C(CCc1ccccc1F)NC1CCCCCCC1 60517893 GVCPNBVVLYEJLO-UHFFFAOYSA-N 277.383 3.987 0 40 CHAB O=C(O)C1(c2cc(-c3ccc(Cl)cc3)on2)CCC1 72220611 MXOYSZUBNZLMPE-UHFFFAOYSA-N 277.707 3.501 0 40 CHAB CCCNCc1cccn1Cc1ccccc1Cl 35727295 KMTVEZBQMGGIBH-UHFFFAOYSA-N 262.784 3.689 0 40 CHAB O=C(c1cc(Cl)ccn1)N1CCC[C@H]2CCCC[C@@H]21 32731055 YLMNECIKGRFTAK-RISCZKNCSA-N 278.783 3.530 0 40 CHAB COC(=O)CC=C(c1ccccc1)c1ccccc1 38338032 ORSLWNGTFVSTOX-UHFFFAOYSA-N 252.313 3.681 0 40 CHAB FC(F)(F)c1cc(-c2ccccc2)nc(Cl)n1 41343273 UNBONBUWLLLBOQ-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB CCOc1cc(CN[C@H](C)CC)ccc1OC(C)C 40728709 GUEHBIBJCSAVIL-CYBMUJFWSA-N 265.397 3.761 0 40 CHAB CC[C@H](NC(=S)Nc1ccncc1)c1ccc(C)cc1 225486557 ARSFYSRUGZGIFA-HNNXBMFYSA-N 285.416 3.828 0 40 CHAB CCOc1ccc(C(=O)NCC2=CCCCC2)cc1C 225099032 GEWHCRYPYJMENU-UHFFFAOYSA-N 273.376 3.624 0 40 CHAB CCc1nc2ccc(NC(=S)N[C@H](C)CC)cc2s1 225206018 BAQODSJSOJWPDZ-SECBINFHSA-N 293.461 3.944 0 40 CHAB CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 96644864 FYQKSKBYNJICQO-UHFFFAOYSA-N 271.404 3.757 0 40 CHAB COc1ccc(-c2n[nH]c([C@H](C)c3ccccc3)n2)cc1 642882623 VBTOHKOEQVLSIK-GFCCVEGCSA-N 279.343 3.632 0 40 CHAB Cc1ccc2ccccc2c1[C@H](O)c1cccn1C 95727871 FBMRGUYEPGSQKK-QGZVFWFLSA-N 251.329 3.568 0 40 CHAB CCc1cccc(NC(=O)N(Cc2ccncc2)C2CC2)c1 58407104 UPTMEBNBDHJQQW-UHFFFAOYSA-N 295.386 3.841 0 40 CHAB COC(=O)c1ccc2c([C@H]3CCCC[C@@H]3F)c[nH]c2c1 113727824 FLVIVLNSOAYNIT-RISCZKNCSA-N 275.323 3.950 0 40 CHAB CCNC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 5375159 LAWZCANLAPIQCG-UHFFFAOYSA-N 297.836 3.770 0 40 CHAB Nc1ccc2[nH]c3c(-c4ccccc4)nccc3c2c1 12940181 JPFQINVOSKUDHH-UHFFFAOYSA-N 259.312 3.965 0 40 CHAB CN(C)[P@]1(=O)OC[C@H](C(C)(C)C)CN1c1ccccc1 5574301 ZBODYXOCADRNMW-XCLFUZPHSA-N 296.351 3.855 0 40 CHAB CCc1ccc(NC(=O)c2ccc3nnsc3c2)cc1 11692755 UDEWTHKJFIVIDH-UHFFFAOYSA-N 283.356 3.506 0 40 CHAB C[C@H]1CCCN(C(=O)[C@H](C)SCc2ccccc2)C1 13649117 ZKSXOSUUPUKLQA-KBPBESRZSA-N 277.433 3.567 0 40 CHAB CN(Cc1ccccc1)C(=O)CCSCc1ccccc1 13687900 OYBSWKZCNKRRSB-UHFFFAOYSA-N 299.439 3.969 0 40 CHAB O=C(CCc1ccccc1F)Nc1ccc(F)c(F)c1 19163911 GVTBKSDXOSIVJS-UHFFFAOYSA-N 279.261 3.675 0 40 CHAB CC(C)c1ccc(NC(=O)c2ccc(N)cc2)cc1 19264868 KQKWDNOKBHUAKT-UHFFFAOYSA-N 254.333 3.645 0 40 CHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCCCC1 19934640 GTCCWXVFOYAUAW-OAHLLOKOSA-N 295.810 3.900 0 40 CHAB Cc1ccc(/N=C/c2ccccc2OCC(=O)O)c(C)c1 8368796 DJUJPABHDJYYHN-VCHYOVAHSA-N 283.327 3.517 0 40 CHAB CC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)CCC3)c1 9585751 DCASIRQDUSHHOE-UHFFFAOYSA-N 293.366 3.559 0 40 CHAB COc1cccc2sc(NCc3ccccc3)nc12 4137641 ZHKXRGBBMMMSGW-UHFFFAOYSA-N 270.357 3.917 0 40 CHAB O=C(c1nc(-c2ccccc2)n2ccccc12)C(F)(F)F 20032052 DZGLPDRKHSGNDN-UHFFFAOYSA-N 290.244 3.746 0 40 CHAB COc1ccc2nc(-c3ccc(C)cc3)cc(C(=O)O)c2c1 873881 FQTBLEKJNRAEGI-UHFFFAOYSA-N 293.322 3.917 0 40 CHAB CC(C)(C)c1cc(NC(=O)CCCc2cccs2)no1 76020327 PUZFKRHWRZGBCZ-UHFFFAOYSA-N 292.404 3.995 0 40 CHAB C=C(OP(=O)(OC)OC)Sc1ccccc1C 1569121 PYXDYFHKZXNRRV-UHFFFAOYSA-N 274.278 3.976 0 40 CHAB CSc1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 102880378 VEOVSCNUFQNNNJ-COPLHBTASA-N 259.374 3.559 0 40 CHAB O=C1[C@H]2CCC[C@@H]2C1(c1ccccc1)c1ccccc1 4722062 LZRARGDGJOHTHL-IRXDYDNUSA-N 262.352 3.972 0 40 CHAB CC[C@@H](Oc1ccccc1F)C(=O)NC(C(C)C)C(C)C 8478263 PQUXQKUAAQXZAC-CQSZACIVSA-N 295.398 3.780 0 40 CHAB COc1cc(F)ccc1NC(=O)CCCc1cccs1 25308766 FDECGHONHJWFGR-UHFFFAOYSA-N 293.363 3.857 0 40 CHAB O=C(Nc1nc2ccccc2s1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 107362150 MXANXSLZWNMMIF-RBJBARPLSA-N 284.384 3.527 0 40 CHAB Fc1ccc2c(c1)OCCC[C@H]2NC1CCSCC1 97038964 VQSVPQSMOXILDJ-CQSZACIVSA-N 281.396 3.525 0 40 CHAB CCCc1cc(C(=O)Nc2cc(C)ccn2)sc1C 27646485 BIRWXZZIVGROAH-UHFFFAOYSA-N 274.389 3.965 0 40 CHAB COc1ccccc1/C=C/C(=O)N1c2ccccc2C[C@H]1C 10449630 WPTWEFYZHLEMFY-GCZGRYASSA-N 293.366 3.686 0 40 CHAB CCCOc1cccc(NC(=O)OCC(F)(F)F)c1 48344918 HZJVVFSQJNDBPI-UHFFFAOYSA-N 277.242 3.586 0 40 CHAB Cc1cccc(C)c1OCCn1c(C=O)nc2ccccc21 11735057 NLCRHKWGWXYHMX-UHFFFAOYSA-N 294.354 3.545 0 40 CHAB Cc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 13131799 YEDIBVFJZQKFGD-DLBZAZTESA-N 290.370 3.733 0 40 CHAB aggregator C[C@H](Sc1ncn[nH]1)c1ccc(OC(F)(F)F)cc1 48987402 VBRITQZZBGHIBU-ZETCQYMHSA-N 289.282 3.557 0 40 CHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccn1 9322122 OLBDMPNMBOWNFA-JTQLQIEISA-N 292.791 3.854 0 40 CHAB Cc1cc([C@@H](C)NC(=O)/C=C/c2csc(C)n2)c(C)o1 49380213 XEVVLLBMGVKYDT-BRAIEQGRSA-N 290.388 3.552 0 40 CHAB CSc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 13737207 GIDSVIDBZDGERN-LLVKDONJSA-N 264.394 3.672 0 40 CHAB COc1cccc2[nH]c(C(=O)NCCC3=CCCCC3)cc12 5324036 PEUFBPKJLVGJJC-UHFFFAOYSA-N 298.386 3.797 0 40 CHAB CCCCCC[C@@H](C)NC(=O)Cc1ccccc1OC 4599902 LBFHGMDLPMLCBF-CQSZACIVSA-N 277.408 3.713 0 40 CHAB COc1ccccc1NC(=O)c1cccc(C)c1C 5558447 CJORBTRBXJWETL-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB CC(C)(C)c1ccc(COC[C@@H]2CCCNC2)cc1 14631120 XLOVURHAIXGRDA-OAHLLOKOSA-N 261.409 3.500 0 40 CHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccs1 15199068 FUWSXZQVEKYZFB-LLVKDONJSA-N 293.388 3.854 0 40 CHAB CC(C)c1ccc(-c2nnc(NC(=O)C(C)(C)C)o2)cc1 20495999 BUUCIFRSPBFPIH-UHFFFAOYSA-N 287.363 3.845 0 40 CHAB c1ccc(-c2cc(CSc3nnc(C4CC4)o3)no2)cc1 7289990 OWTXROSWBAZIOC-UHFFFAOYSA-N 299.355 3.894 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1Cc2ccccc2O1 7957204 HVNHABPJKRVVQR-OAHLLOKOSA-N 287.746 3.591 0 40 CHAB COc1ccc2c(c1)[C@H](c1cccc(Cl)c1)NCC2 19625838 VTAIVNGVFBIKHG-INIZCTEOSA-N 273.763 3.584 0 40 CHAB C[C@@H](c1cccc(-c2nc(C3CCC3)n[nH]2)c1)N1CCCC1 96133021 JCKVSORLDKAFMO-ZDUSSCGKSA-N 296.418 3.896 0 40 CHAB CCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 95561962 LUENAZOOIPSKQU-UHFFFAOYSA-N 260.356 3.896 0 40 CHAB C[S@@](=O)c1ccc(NCc2ccc(Cl)cc2)cc1 89493245 MNDWSABMMXITOA-SFHVURJKSA-N 279.792 3.690 0 40 CHAB COc1cc2c(cc1O)[C@H](C)[C@H](c1ccccc1)O2 1560389 FRERFZXINXYHDY-MGPLVRAMSA-N 256.301 3.638 0 40 CHAB biogenic COC(=O)c1c(/C=C/c2cc(C)n(C)c2C)cccc1OC 35973580 ZOCOPBTUOLRPNP-MDZDMXLPSA-N 299.370 3.608 0 40 CHAB C[C@H]1CCC[C@H](OCc2nnc(-c3ccccc3)o2)C1 521393741 RJHNFFLVOQOQJV-JSGCOSHPSA-N 272.348 3.832 0 40 CHAB COc1ccc(CCCc2ccc(O)cc2)c(OC)c1 34329997 ITRWHPPVRARAPO-UHFFFAOYSA-N 272.344 3.585 0 40 CHAB biogenic Cc1cccc(-c2ccc(Br)c(C)n2)n1 34555263 LDDPQAMHWCXEME-UHFFFAOYSA-N 263.138 3.523 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cccc(N)c3)o2)C1 226301080 HVLFFPDGHCAEGM-STQMWFEESA-N 298.386 3.647 0 40 CHAB OC1=N[C@@H](c2cc3ccccc3s2)N2CCCC[C@H]12 95412093 MJEQZMDYVWFTAV-BXUZGUMPSA-N 272.373 3.725 0 40 CHAB C[C@@H](NCCc1nnc(-c2ccccc2)o1)c1cccs1 90659786 XWOHDSHRTXEVPC-GFCCVEGCSA-N 299.399 3.691 0 40 CHAB Cc1ccc2ccccc2c1NC(=O)N1CCCC1 95416977 GZJZXHDWYGLMCM-UHFFFAOYSA-N 254.333 3.776 0 40 CHAB Cc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 260658758 FFKIOYGCRMVTLW-KCQAQPDRSA-N 274.433 3.778 0 40 CHAB COc1cccc(C(=O)CC2(CC(=O)O)CCCCC2)c1 95634453 UFXHINLPFVXLPL-UHFFFAOYSA-N 290.359 3.693 0 40 CHAB CCOC(=O)c1ccc(-c2ccc(OC)c(Cl)c2)o1 44200628 JCAUMFHXLDIVFR-UHFFFAOYSA-N 280.707 3.785 0 40 CHAB Cc1ccc(NCc2nc(-c3ccco3)no2)c(C)c1 44070254 HCZFVCQGJFRXCU-UHFFFAOYSA-N 269.304 3.559 0 40 CHAB CCOC(=O)c1nc2cc(F)ccc2c(Cl)c1Cl 685937069 IMBLRYHDOKVBNP-UHFFFAOYSA-N 288.105 3.857 0 40 CHAB CC(C)NC[C@H](O)CC(c1ccccc1)c1ccccc1 5442097 DAIZVBCVNQSHLI-GOSISDBHSA-N 283.415 3.568 0 40 CHAB in-man Cc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1 6969239 QQYQIEGWBPEQHK-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1ccnc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 377487 FEJRMDRYAYVKNH-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1-c1ccco1 100887964 BMFYLIVNFBIFOS-NOOOWODRSA-N 289.404 3.824 0 40 CHAB in-vitro CC(C)(C)c1ccccc1NC(=O)NCc1ccccn1 40526137 DWNWOMUWXYXFBE-UHFFFAOYSA-N 283.375 3.701 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)c1cc(Cl)ccc1O 20548530 FRVRBHNCPAKNHJ-UHFFFAOYSA-N 283.661 3.576 0 40 CHAB CCN(CC)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 29753857 VLRGEHHRFJNNBY-UHFFFAOYSA-N 272.392 3.947 0 40 CHAB CC(=O)c1sc2nc3c(C)cccc3cc2c1N 421682 BKWCOLOKGGXZOZ-UHFFFAOYSA-N 256.330 3.543 0 40 CHAB CC[C@H](C)NC(=O)Cc1ccc(-c2ccccc2)cc1 2655898 WAVIFUQRLJDUAX-AWEZNQCLSA-N 267.372 3.811 0 40 CHAB C[C@H]1CCc2c(C(=O)NCCc3ccccc3)csc2C1 2708151 OZBMAACOSAOIHK-ZDUSSCGKSA-N 299.439 3.845 0 40 CHAB C[C@@H]1CCN(C(=O)NCc2ccco2)[C@H](c2ccco2)C1 76082528 PNERRZFEBSPRMS-OCCSQVGLSA-N 288.347 3.555 0 40 CHAB CCN(CC)CCC[C@H](C)N1C[C@H]2CCCC[C@H]2C1 1676243 BYMCWUJUHHZIBS-YESZJQIVSA-N 266.473 3.619 0 40 CHAB O=C(c1ccccc1)[C@@H](Cc1ccccc1)N1CCCCC1 4228022 PEARTEASXPIIQB-LJQANCHMSA-N 293.410 3.967 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=S)Nc1ccccc1F 6853234 VTOXJQCZXDNVFW-QWRGUYRKSA-N 266.385 3.785 0 40 CHAB Oc1ccc2c(c1)[C@H]1CCCC[C@]1(N1CCCCC1)O2 22242117 KXGAXCOBOFZDMX-WBVHZDCISA-N 273.376 3.624 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1ccsc1 22399123 DZGICNPBMMJVCO-UHFFFAOYSA-N 251.738 3.962 0 40 CHAB Cc1cc(Br)cnc1N(C)C1CCCCC1 42783638 LPEVHUJQHCOUET-UHFFFAOYSA-N 283.213 3.921 0 40 CHAB O=C(c1ccc(Cl)cc1Cl)c1cnc2ccccn12 1397786 KICBSWGOOWCBJM-UHFFFAOYSA-N 291.137 3.872 0 40 CHAB Cc1c(F)cccc1NC(=O)CCc1ccccc1F 1426307 LJEHXCDVXALAHE-UHFFFAOYSA-N 275.298 3.845 0 40 CHAB CCN(CC)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101107486 KHAVOAZXCFZPQI-DZKIICNBSA-N 253.430 3.560 0 40 CHAB Cc1noc([C@H](C)Nc2ccc3c4c(cccc24)CC3)n1 44586721 VRQFWJVNMHQGGT-JTQLQIEISA-N 279.343 3.803 0 40 CHAB CC1(C)C[C@@]2(C)C[C@H]1CN(C(=O)Nc1ccccc1)C2 113562734 UJPWYKJLSULERI-SUMWQHHRSA-N 272.392 3.977 0 40 CHAB COc1cccc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 11203495 OGJCWGHPZDTFBB-KRWDZBQOSA-N 281.355 3.576 0 40 CHAB Cc1ccc(C)c(NC(=O)[C@@H](NC(C)C)c2ccccc2)c1 3413937 HKEUSTHPWBAXDQ-SFHVURJKSA-N 296.414 3.981 0 40 CHAB CCOc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 4600130 MZTISJSSZNSWMM-UHFFFAOYSA-N 275.735 3.991 0 40 CHAB CCCCNC(=O)NC(c1ccccc1)c1ccccc1 6648683 RISFNWXZYISJHN-UHFFFAOYSA-N 282.387 3.875 0 40 CHAB c1ccc(-c2nc(NC3CC3)c3ccccc3n2)cc1 6774780 GSHOPCASVMKHBT-UHFFFAOYSA-N 261.328 3.871 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(F)cc1 6824178 XEMFKAVSVWSRGX-CYBMUJFWSA-N 286.350 3.969 0 40 CHAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 5922542 ZKBXOPSHPHMPLT-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB Cc1cc(C)c2cc(C(=O)OCC(=O)C(C)(C)C)[nH]c2c1 9256901 CVIXEABZPCDOIE-UHFFFAOYSA-N 287.359 3.557 0 40 CHAB CC(C)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C 68774061 PWVGQYRGEDJFPL-UHFFFAOYSA-N 278.352 3.628 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccc3c(c2)CCC3)cc1 17024128 ULLFBJURATXCIZ-UHFFFAOYSA-N 296.439 3.970 0 40 CHAB CC(=O)c1c(N2CCCCC2)nc2ccccc2c1C 20405336 DBNPQKBTWCBPEZ-UHFFFAOYSA-N 268.360 3.736 0 40 CHAB O=C(CCCc1cccs1)N1CC2(CCCCC2)C1 95468767 CCDPZGORGKFKJJ-UHFFFAOYSA-N 277.433 3.864 0 40 CHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)/C=C/c1cscn1 95957232 MJSGUNGLZYBRHQ-WSKFYRRCSA-N 290.363 3.515 0 40 CHAB Cc1[nH]c2c(F)cccc2c1CCNC(=O)CC(C)(C)C 32648398 SYZMCTWWAZDYQP-UHFFFAOYSA-N 290.382 3.710 0 40 CHAB O=C(O)c1cccc(NCc2cccc(OC(F)F)c2)c1 516792615 VALHHCGTLFAIQC-UHFFFAOYSA-N 293.269 3.598 0 40 CHAB Nc1nnc(-c2ccc(-c3nc4ccccc4s3)cc2)o1 216837784 RWCLPSDCGMLROR-UHFFFAOYSA-N 294.339 3.596 0 40 CHAB CCN1CC=C(c2nc3cc(Cl)c(C)cc3[nH]2)CC1 73636247 IARQSPNWZJVMMM-UHFFFAOYSA-N 275.783 3.634 0 40 CHAB O=C(NCCc1ccccc1)c1cc(-c2ccco2)cs1 72259976 VYOIEBXHFGXZGS-UHFFFAOYSA-N 297.379 3.981 0 40 CHAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCN1C(C)C 72218860 IGWTYMXQMZRNKD-MRXNPFEDSA-N 273.424 3.536 0 40 CHAB Cc1cccc(-c2cc(-c3cccc(F)c3)nc(N)n2)c1 71978230 DREABILAXSTYMM-UHFFFAOYSA-N 279.318 3.840 0 40 CHAB CCCCCNC(=O)Nc1ccccc1N1CCCC1 43486127 HPTWGJODIRBXAG-UHFFFAOYSA-N 275.396 3.599 0 40 CHAB COCc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 225186979 WUVMTTUFJKIGMR-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB Cc1ccccc1[C@@H](NC(=O)C1CC1)c1ccccc1 225383466 ZTLJGHIDRFPHSK-KRWDZBQOSA-N 265.356 3.611 0 40 CHAB Cc1ccc(CC(=O)Nc2cccc(F)c2)c(C)c1 225070572 HMEGNLRSHBFNHO-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB CCCn1nc(NCc2ccc(F)s2)cc1C1CC1 256053340 RBKIFMRZMYVTTL-UHFFFAOYSA-N 279.384 3.983 0 40 CHAB Brc1cc(Oc2ccccc2)c2nonc2c1 85409404 XOUGUVNIWMICBW-UHFFFAOYSA-N 291.104 3.778 0 40 CHAB CCCNC(=O)N[C@H](c1ccsc1)c1cccs1 390826906 REPZJKCVEKGFCC-GFCCVEGCSA-N 280.418 3.608 0 40 CHAB CCS[C@@H]1CC[C@H](NC(=O)N(C)[C@@H](C)c2ccco2)C1 76478011 AOWGHTKGXOJVSR-RWMBFGLXSA-N 296.436 3.656 0 40 CHAB CC(C)n1cc(Br)c(-c2ccccc2)n1 248160243 KVOUASCSENDUSE-UHFFFAOYSA-N 265.154 3.894 0 40 CHAB COc1ccccc1NC(=O)CSc1ccc(C)cc1 5753018 NFXNUGCGLZTFGL-UHFFFAOYSA-N 287.384 3.734 0 40 CHAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 15393499 BCBJNRHIBSZJLW-INIZCTEOSA-N 297.398 3.696 0 40 CHAB Cc1ccc2nc(NC(=O)c3ccsc3)sc2c1 9478374 JHPSORUXNQTLEW-UHFFFAOYSA-N 274.370 3.919 0 40 CHAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)no1 27350144 MBLNENRSFCXTPD-ZETCQYMHSA-N 285.756 3.581 0 40 CHAB CC(C)(C)c1cc(N)n(-c2cccc(C(F)(F)F)c2)n1 37291259 AAQJALGHYUKGPZ-UHFFFAOYSA-N 283.297 3.771 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2cccc(C)c2)cc1OC 496594 PRWHPYXPELGKKS-CSKARUKUSA-N 297.354 3.664 0 40 CHAB COc1ccc(C(=O)c2cccc(C)c2C)cc1OC 37359920 OEFYJHFQZXBYRK-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB Cc1ccccc1C(=O)c1c(F)cc(F)cc1F 37358986 XJRFEKYARRUQJN-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB C[C@@H](NC(=O)CC(F)(F)F)c1ccc(Cl)s1 40074608 HXSCKKBFPWRRPD-RXMQYKEDSA-N 271.691 3.531 0 40 CHAB O=C(N[C@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 1578844 VHFBASFFPCKHDU-BPUTZDHNSA-N 257.377 3.775 0 40 CHAB COc1ccccc1NC(=O)Oc1ccc(C(C)=O)cc1 2649490 FOSATTDFQSGNBD-UHFFFAOYSA-N 285.299 3.509 0 40 CHAB c1sc2[n+](c1C13CC4CC(CC(C4)C1)C3)CCS2 4185336 TXTIDJPQKINVND-UHFFFAOYSA-N 278.466 3.609 0 40 CHAB COc1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1 6966839 XFBOCUSPNQZXJH-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CC[C@@H](C)NC(=O)c1sc(-c2ccccc2)nc1C 7996044 FJGAXIXOQRGALK-SNVBAGLBSA-N 274.389 3.647 0 40 CHAB O=C1C=C(c2ccccc2)Sc2ccccc2N1 547093 DWHHMNUHVCUPMD-UHFFFAOYSA-N 253.326 3.772 0 40 CHAB C[C@H](NC(=O)NCc1ccoc1)c1ccc(Cl)s1 44970087 FIQQLLLNIMEYPS-QMMMGPOBSA-N 284.768 3.555 0 40 CHAB Cc1ccccc1OCCC(=O)NC[C@H](C)c1ccccc1 36396158 CQGJKEAFMVBLSE-INIZCTEOSA-N 297.398 3.684 0 40 CHAB Cc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 12976662 DCCMNDGPZNBVIG-UHFFFAOYSA-N 287.432 3.724 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1cc2ccccc2[nH]1 12945316 SIHBFTRVOBKGIA-MRXNPFEDSA-N 276.339 3.585 0 40 CHAB O=C(Nc1cccnc1)c1ccc2c(c1)-c1ccccc1C2 8746871 DXDWHWGCZXTHDF-UHFFFAOYSA-N 286.334 3.905 0 40 CHAB Cc1ccc(-c2nc3[nH]cnn3c2Nc2ccccc2)cc1 3909984 VWRAOOHNGRFZMS-UHFFFAOYSA-N 289.342 3.776 0 40 CHAB CSc1nc(N(C)Cc2ccccc2)c2ccccc2n1 6638153 UUQPSYWSLRLKAY-UHFFFAOYSA-N 295.411 3.988 0 40 CHAB C[C@H]1CO[C@@H](Cn2c3ccccc3c3ccccc32)O1 4844410 AFHSKLXOUIJSRM-YVEFUNNKSA-N 267.328 3.556 0 40 CHAB CN(C)c1cccc([C@@H]2CCCN2Cc2cncs2)c1 93512810 NLGKNFBIGLHPFB-INIZCTEOSA-N 287.432 3.546 0 40 CHAB C[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 7377717 XUIVSTXRFVCDLR-LMMOQWNQSA-N 299.823 3.515 0 40 CHAB CN(Cc1cccnc1)Cc1csc(Br)c1 69463972 QWIBKZLQAOVGIJ-UHFFFAOYSA-N 297.221 3.538 0 40 CHAB Cn1cc(-c2nc(CSc3cccs3)cs2)cn1 71909998 YVDMGRJEHTYKSG-UHFFFAOYSA-N 293.442 3.897 0 40 CHAB CC1(C)N=C(c2ccccc2)[C@H]2[C@@H](c3ccccc3)N21 25720876 SMTPRAOVWHJEDI-LIHHCBPRSA-N 262.356 3.651 0 40 CHAB C[C@@H](NCc1ccccc1)c1ccccc1-n1cccn1 89909878 DNXKUHVNASKMRM-OAHLLOKOSA-N 277.371 3.723 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1C 20489060 OQBDUWSGORSWMY-JKSUJKDBSA-N 297.398 3.948 0 40 CHAB CCCn1c([C@@H]2CCCN2C(=O)CC)nc2ccccc21 21787083 MTARWVNAIZQTQH-HNNXBMFYSA-N 285.391 3.520 0 40 CHAB CCCCN1CCC[C@H]1c1cccnc1Br 72211617 ZHLXFBDEFRXDAR-LBPRGKRZSA-N 283.213 3.781 0 40 CHAB CCOc1ncccc1[C@H]1CCCCN1CC(C)C 72211862 ILNUDXWJUZUNGI-OAHLLOKOSA-N 262.397 3.663 0 40 CHAB Fc1cccc(-c2ncc(Br)s2)c1 44120437 IEKUAMMKJANLGT-UHFFFAOYSA-N 258.115 3.712 0 40 CHAB CC1(C)CCN1C(=O)c1cc(C2CC2)nc2ccccc12 89919480 LTEOTTILNQXNSE-UHFFFAOYSA-N 280.371 3.737 0 40 CHAB Cc1ccc(CC(=O)Nc2c(C)cccc2Cl)cn1 85296469 UETIGDSOUQHLAL-UHFFFAOYSA-N 274.751 3.533 0 40 CHAB CC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225603808 HZCBRCRWOINYDA-KRWDZBQOSA-N 293.407 3.783 0 40 CHAB Cc1cccc(Nc2ccc(N)cc2C(=O)N2CCCC2)c1 225463341 HAEKHOQDWNBUBQ-UHFFFAOYSA-N 295.386 3.557 0 40 CHAB C[Si](C)(Cc1ccc(F)cc1)CN1CCCCC1 195764118 LOCRKLISCBHQPO-UHFFFAOYSA-N 265.448 3.641 0 40 CHAB investigational CCOc1ccc([C@H]2COc3ccc(C)cc3N2)cc1 96531292 CULBDUXQNZGPIV-MRXNPFEDSA-N 269.344 3.939 0 40 CHAB CCCCO[C@H](C)OCC(F)(F)[C@@H](F)C(F)(F)F 98210585 MHWJJEAAUALWDP-JGVFFNPUSA-N 282.224 3.701 0 40 CHAB CC[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccncc1 96478352 SUYUUTMRVMSOHG-IAGOWNOFSA-N 270.351 3.949 0 40 CHAB O=C(O)C(F)(F)Sc1ccc(Cl)cc1Cl 256050794 GNYZFKDXESEKKJ-UHFFFAOYSA-N 273.087 3.763 0 40 CHAB Cc1noc(C)c1CCCNC[C@@H](C)c1ccccc1 252488922 JBQYUSYTJOYMLM-CYBMUJFWSA-N 272.392 3.617 0 40 CHAB Cc1ccc2oc(=O)c(Nc3ccc(Cl)cc3)nc2c1 255187501 DYCFCRMFORWJLI-UHFFFAOYSA-N 286.718 3.893 0 40 CHAB CCOc1ccc(C(=O)c2ccc(F)cc2C)cc1 89064288 JICSFGZKTKBRKI-UHFFFAOYSA-N 258.292 3.764 0 40 CHAB CCN(Cc1ccncc1)c1ccc(Br)cc1 95915772 WHFYNHRSXDGWQO-UHFFFAOYSA-N 291.192 3.871 0 40 CHAB COc1cccc(F)c1C(=O)c1ccc(C)c(F)c1 95916949 QJENGTLBQPCZJP-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB O[C@H](c1c(Cl)cccc1Br)C(F)(F)F 306365082 DAKMQGVBBKLFOZ-SSDOTTSWSA-N 289.478 3.698 0 40 CHAB CN(C)CC[C@@]1(c2ccccc2)C=Cc2ccccc21 5062865 KAQPNQMPHIRKJJ-LJQANCHMSA-N 263.384 3.951 0 40 CHAB in-man CC[C@@H](C)n1c(S)nnc1COc1ccc(Cl)cc1 11692609 RASWHQOZSDOCIN-SECBINFHSA-N 297.811 3.770 0 40 CHAB COc1cc(CN(C)[C@H](C)c2ccco2)c(Cl)cc1O 13568972 LIHBLAPREXWPIE-SNVBAGLBSA-N 295.766 3.840 0 40 CHAB O=C(c1ccc2c(c1)CCCC2)N1CCc2ccccc2C1 17322003 FBGAGJHZKVBPDB-UHFFFAOYSA-N 291.394 3.764 0 40 CHAB CC(C)Cc1nnc(NC(=S)Nc2ccccc2)s1 5375133 IYQKXWFYCYUUOI-UHFFFAOYSA-N 292.433 3.546 0 40 CHAB CC[C@@H](C)NC(=O)/C=C/c1c(Cl)cccc1Cl 146012 CSCRCRSRIZVFOR-FCZSHJHJSA-N 272.175 3.921 0 40 CHAB Cc1c(C(=O)Nc2ccccc2)oc2ccccc12 2706696 VHUCUJKXPKIWGS-UHFFFAOYSA-N 251.285 3.994 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 31561803 SRQPYNBICNSLNH-UHFFFAOYSA-N 277.327 3.637 0 40 CHAB COC(=O)CCCC(=O)c1c(Cl)cccc1Cl 575360824 OVNXUFDVTWSLTH-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB CC[C@H](C)c1ccc(OC[C@H](C)OC(C)=O)cc1 1583901 FIKUKQZUOAUUJA-RYUDHWBXSA-N 250.338 3.531 0 40 CHAB CSc1ccc(CN[C@@H](C)c2ccccn2)cc1 20123850 RDRISPAPVQVVRD-LBPRGKRZSA-N 258.390 3.654 0 40 CHAB O=C1Sc2ccc(Br)c3cccc1c23 170564 XUXKRCALJDCYGF-UHFFFAOYSA-N 265.131 3.848 0 40 CHAB O=C(O)[C@@H](Sc1ncnc2ccccc12)c1ccccc1 155571 JAAJTNCVCJSTHK-AWEZNQCLSA-N 296.351 3.548 0 40 CHAB CC1(C)c2ccccc2CN2C(=O)O[C@]3(C)CC[C@@H]1[C@@]23C 100870633 NNHHRFVHHXMVBU-BMGDILEWSA-N 285.387 3.857 0 40 CHAB CCOc1ccccc1C(=O)Oc1cccc(C)c1C 363960 FLYOMRBDXLLMSL-UHFFFAOYSA-N 270.328 3.921 0 40 CHAB O=C1c2ccccc2CN1c1ccc(OC(F)(F)F)cc1 36404 PCUYQSVRQPFERN-UHFFFAOYSA-N 293.244 3.746 0 40 CHAB C[C@@H]1CCc2noc(NC(=O)c3cccc(Cl)c3)c2C1 11915466 OKFYPYBRWYCXRN-SECBINFHSA-N 290.750 3.705 0 40 CHAB CCOc1ccc(C(=O)NC2CCCCC2)cc1OCC 503979 DRGBDFGRKAYPHK-UHFFFAOYSA-N 291.391 3.547 0 40 CHAB Cc1ccc2c(c1)[C@@H]([C@@H]1Cc3cccc(C)c3C1=O)OC2=O 1646143 OSURRXSQPWVEJI-QAPCUYQASA-N 292.334 3.570 0 40 CHAB CC[C@@H]1[C@@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 4119590 OKNRTYWYWMOJGO-AKHDSKFASA-N 281.399 3.849 0 40 CHAB O=C(CCc1ccccc1)N1CCCc2ccccc21 493230 UVAAZZALQLNYIL-UHFFFAOYSA-N 265.356 3.599 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)c2ccccc2Cl)[C@@H]1C 6525553 TZOGOBWTTOQLHL-WDMOLILDSA-N 265.784 3.895 0 40 CHAB CC(C)C(=O)Nc1cccc(Cl)c1N1CCCCC1 6708198 RTDIPNPZTALAED-UHFFFAOYSA-N 280.799 3.925 0 40 CHAB COc1ccc(C)c(NC(=O)c2ccccc2C)c1 6925078 RPVUVZMCGNYSBU-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(F)c1 51354472 FGOOGLWEDAEBKR-UHFFFAOYSA-N 288.278 3.507 0 40 CHAB CCOc1ccc([C@@H]2CCCN2C(=O)C2CCCC2)cc1 52975382 KLGWLLVAOMVNID-KRWDZBQOSA-N 287.403 3.939 0 40 CHAB Cc1nc(Nc2ccccc2Cl)sc1C(=O)O 873562 BIZWKSKKXYOBFX-UHFFFAOYSA-N 268.725 3.547 0 40 CHAB CC(C)CN(CC(C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1 1480389 VPCWQGLHGNIBCI-DLBZAZTESA-N 273.420 3.931 0 40 CHAB O[C@H]1[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 100672332 USAKVYHRWZXKIZ-WPVAHCMFSA-N 293.410 3.849 0 40 CHAB CSCCCNC(=S)Nc1ccc(F)c(Cl)c1 3326965 GLQSKZRSGJDLLF-UHFFFAOYSA-N 292.832 3.519 0 40 CHAB O=[S@](Cc1ccc(Cl)cc1)Cc1ccccc1F 58132251 YULZNZQCFBIKTD-SFHVURJKSA-N 282.767 3.928 0 40 CHAB CC[C@@]1(C)Nc2ccccc2C(=O)N1Cc1ccccc1 20636626 QSUXQGXDGGMAOR-SFHVURJKSA-N 280.371 3.881 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nc(C)cs2)C1(C)C 24541913 BAIAYWRTTDLPLP-WDEREUQCSA-N 264.394 3.628 0 40 CHAB c1ccc(C(O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 2561376 TYHULHQMILADSO-IBGZPJMESA-N 293.410 3.887 0 40 CHAB Oc1nc(-c2ccccn2)nc2c(Cl)cc(Cl)cc12 48606540 FDTTVGGKORJILN-UHFFFAOYSA-N 292.125 3.704 0 40 CHAB CCc1nc(CN2CC[C@H](c3ccccc3)C2)cs1 69894801 NSUDKSAMLPPYFW-AWEZNQCLSA-N 272.417 3.695 0 40 CHAB COc1ccc(N2Cc3ccccc3N=C2S)cc1 13732700 OARGNSVNQKZMMW-UHFFFAOYSA-N 270.357 3.633 0 40 CHAB C[C@H](NC(=S)NC1CCCCCC1)c1ccccc1 13818465 UMBSVPDSASEQGL-ZDUSSCGKSA-N 276.449 3.935 0 40 CHAB CC[C@H](C(=O)Nc1ccc(C)cc1O)c1ccccc1 4666609 YTLDMXHICZPKQT-AWEZNQCLSA-N 269.344 3.833 0 40 CHAB Cc1cccc(NCC(=O)Nc2ccc(F)cc2F)c1C 7953609 KRSIMBVAHJXHER-UHFFFAOYSA-N 290.313 3.632 0 40 CHAB CCc1n[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 8199314 JUMJSWAHYLOGAL-UHFFFAOYSA-N 288.203 3.966 0 40 CHAB Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)o1 16990632 NFMWRTSTDGZMMI-OLZOCXBDSA-N 263.381 3.923 0 40 CHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccccn1 9468321 MXPLYRQVKFHXDV-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccccc1C 19957845 ODSGGAAYPQHRQF-GOSISDBHSA-N 292.382 3.720 0 40 CHAB COc1cc([C@@H](C)Nc2cccnc2)ccc1OC(F)F 95969113 SBEBWZWXGHHQRZ-SNVBAGLBSA-N 294.301 3.865 0 40 CHAB C[C@@H](C1CC1)n1nccc1NCc1cccc2[nH]ccc12 95939048 LUJYVPRQFDMOFA-LBPRGKRZSA-N 280.375 3.948 0 40 CHAB CC(=O)Nc1cccc(NCc2ccc(Cl)nc2)c1C 75094683 NWWXMXHRUJSIJL-UHFFFAOYSA-N 289.766 3.614 0 40 CHAB Cc1nc(CNc2ccccc2Oc2cccc(F)c2)no1 89718404 CRZIQIFNUINKFP-UHFFFAOYSA-N 299.305 3.922 0 40 CHAB CC[C@@H](CNC(=O)c1ccc(C)cc1)c1ccccc1 60683758 RSVGNUNASWDKKK-HNNXBMFYSA-N 267.372 3.919 0 40 CHAB O=C(Nc1ccc(F)cc1)c1nccc2ccccc12 60192415 DJCZMGAWEUMNTL-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB CC[C@@H]1C2=C(OC(=O)C1(C)C)c1ccc(OC)cc1CC2 3850147 RTWKKSGQWKBMLT-OAHLLOKOSA-N 286.371 3.962 0 40 CHAB biogenic COc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1N 32117319 JHBSHBNKJXUEQK-UHFFFAOYSA-N 269.344 3.632 0 40 CHAB Fc1ccccc1CSc1cc(N2CCCC2)ncn1 36708500 LRVNQFCLSXUZNH-UHFFFAOYSA-N 289.379 3.508 0 40 CHAB CO[C@@H](C(=O)Nc1cccc(SC)c1)c1ccccc1 182218880 JEZPKXBWCQQKRK-OAHLLOKOSA-N 287.384 3.735 0 40 CHAB Cc1cccc(Nc2ccc(C(=O)NC(C)C)cc2N)c1C 225417973 JAKFHZNAKSINPD-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB COc1cccc(OC)c1SCc1c(C)noc1C 191291900 DYUCOGCVMNRKCM-UHFFFAOYSA-N 279.361 3.601 0 40 CHAB CC[C@@H](C)NC(=O)CCc1c(Cl)cccc1Cl 225342691 MCNJAOLLORYEKF-SECBINFHSA-N 274.191 3.841 0 40 CHAB Cc1ccc(C[C@H](Oc2ccccc2C)C(=O)O)c(C)c1 225024875 BCLPCYKPZDBVBB-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB Cc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223155832 GGXOAZVDHTXURT-CQSZACIVSA-N 279.383 3.975 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)NCC1=CCCCC1 224417545 OMYXBCGJBIEOQC-AWEZNQCLSA-N 287.403 3.633 0 40 CHAB O=C(CCc1cccc(Cl)c1)c1ccc2c(c1)OCO2 199736857 BIJLWBCYEBGIIJ-UHFFFAOYSA-N 288.730 3.884 0 40 CHAB CC(=O)N(C)c1ccccc1NCc1cccc(F)c1F 96453616 ZGJKKAXWLDHCOM-UHFFFAOYSA-N 290.313 3.560 0 40 CHAB C[C@H](c1cccnc1)N(C)Cc1ncccc1C(F)(F)F 97375275 ITEZIHLTDOUEFW-LLVKDONJSA-N 295.308 3.688 0 40 CHAB CC(C)c1nc(Cl)c(C(=O)OCc2ccccc2)[nH]1 256051283 INKUYHFOROGRDP-UHFFFAOYSA-N 278.739 3.544 0 40 CHAB CCC[C@@H](C(=O)c1ccc2c(c1)CCC2)N1CCCC1 299817223 NBZPCEWLKPSIIL-KRWDZBQOSA-N 271.404 3.623 0 40 CHAB in-vitro COc1cccc(OC)c1C(=O)c1cccc(Cl)c1C 95916351 NSSGSMSQWUGUAI-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB O=C(O)c1ccccc1-c1ccc(CN2CCCC2)cc1 62749980 DZUGBRXJVTWHTF-UHFFFAOYSA-N 281.355 3.648 0 40 CHAB Cc1ccc(CN2Cc3cc4ccccc4nc3OC2=O)o1 72373710 JLRJOZUXIZHMKB-UHFFFAOYSA-N 294.310 3.651 0 40 CHAB FC(F)(F)c1cc(N2C[C@@H]3CCCC[C@H]3C2)ccn1 559612275 FDHMFLCKLPMGDT-QWRGUYRKSA-N 270.298 3.727 0 40 CHAB CCOP(=O)(C/C=C\c1ccccc1)OCC 5080952 AWKOMEXJXBINBQ-FLIBITNWSA-N 254.266 3.966 0 40 CHAB c1cc2occc2c(NCCNC2CCCCCC2)n1 232450351 DCIRYOKNAHZOIN-UHFFFAOYSA-N 273.380 3.552 0 40 CHAB CNC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 11660141 WWEDKXJVLPQGNP-UHFFFAOYSA-N 296.345 3.653 0 40 CHAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc2ccccc2o1 13169871 MMACYUVXMNXBTA-UHFFFAOYSA-N 295.294 3.692 0 40 CHAB CCOc1ccccc1-n1c(S)nnc1-c1ccccc1 13534980 ZPOVYGUPCAXAJZ-UHFFFAOYSA-N 297.383 3.622 0 40 CHAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCCCC1 13708819 NNWYXCZFVYXTHD-CQSZACIVSA-N 283.371 3.620 0 40 CHAB COc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 11637062 SKZZTNHISKMQJU-CQSZACIVSA-N 299.370 3.718 0 40 CHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccco1 3178007 NYALWKAZHXAEKE-VOTSOKGWSA-N 295.260 3.628 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)C1CC1 19014947 DTAHFCBIMCTJED-UHFFFAOYSA-N 263.646 3.707 0 40 CHAB C[C@@H]1CCc2nc(NC(=O)c3ccc(F)cc3)sc2C1 567834 SOAISKZTRDTZDX-SECBINFHSA-N 290.363 3.659 0 40 CHAB Cc1ccccc1C(=O)NCc1ccc(-c2ccoc2)nc1 390831908 VWUHMJNLOYGFSA-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB O=C(O)c1cc(-c2ccccc2)nc2cc(F)ccc12 20080951 MUTUDFZNRULRAE-UHFFFAOYSA-N 267.259 3.739 0 40 CHAB in-vitro CCOc1ccc(-c2oc3ccc(C)cc3c(=O)c2O)cc1 115277 MYUXTSSLYWFPIM-UHFFFAOYSA-N 296.322 3.873 0 40 CHAB CC(C)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1 11868818 IBAALHKLPITZTC-UHFFFAOYSA-N 279.343 3.939 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)c1n[nH]c(=S)n1C 17007857 XPYAWRIBYVZZLX-LBPRGKRZSA-N 277.393 3.625 0 40 CHAB CCOC(=S)SC/C=C/CSC(=S)OCC 1737619 NVZQGMQDJIYHKB-AATRIKPKSA-N 296.504 3.652 0 40 CHAB COC(=O)C[C@@H](CC(=O)c1ccccc1)c1ccccc1 1759451 NOXBNKMKZKRHGZ-MRXNPFEDSA-N 282.339 3.606 0 40 CHAB COc1ccc2oc(C(=O)NCc3ccccc3)c(C)c2c1 3561745 JMCHHOSIWHMZQV-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB CCCc1cc(C(=O)Nc2cccc(Cl)c2C)no1 3908950 XWLFHIRGLOSLJG-UHFFFAOYSA-N 278.739 3.841 0 40 CHAB O=C(O)[C@H](Nc1cccc(Cl)c1)c1ccccc1 4253348 BNCQAJOGWSGDNU-CYBMUJFWSA-N 261.708 3.578 0 40 CHAB COc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1OC 496437 MMROPRFCDCJQQM-UHFFFAOYSA-N 296.326 3.729 0 40 CHAB Cc1c(F)cccc1NC(=O)Cn1ccc2ccccc21 6714311 XRNCZMXGAAUCHI-UHFFFAOYSA-N 282.318 3.728 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OC 7637932 RQXPYIUAXYAZHH-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB COc1ccccc1[C@H]1OC2=Nc3ccccc3NC2=C1O 104158728 KJIRBVQAGWFFCB-MRXNPFEDSA-N 294.310 3.692 0 40 CHAB Cc1ccc(CCC(=O)NC2CCCCCC2)cc1 10333605 KMXOOQPRJIFUJU-UHFFFAOYSA-N 259.393 3.767 0 40 CHAB CCN(CC)C(=O)c1ccccc1SC(C)C 8041195 CNTDNJNWTNSQPM-UHFFFAOYSA-N 251.395 3.669 0 40 CHAB CCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 8227239 ARZPEWXZOUVPAE-UHFFFAOYSA-N 285.387 3.692 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1Cl 104100694 AZQWRXSYQMAYBV-SGMGOOAPSA-N 277.795 3.783 0 40 CHAB O=S(=O)(C/C=C/c1ccccc1)c1ccc(Cl)cc1 3189988 KXRCZEHMKMWSAR-QPJJXVBHSA-N 292.787 3.827 0 40 CHAB Cc1cc(N(C)C2CCCCC2)ncc1Br 42783501 DDOBHZXLFSSTQT-UHFFFAOYSA-N 283.213 3.921 0 40 CHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C 113950446 QIVVLMILMJZMAU-QGZVFWFLSA-N 299.370 3.800 0 40 CHAB Fc1ccc(OCCCCCCNC[C@@H]2CCCO2)cc1 2289232 GULXWPXWAAVKQF-KRWDZBQOSA-N 295.398 3.534 0 40 CHAB Cc1cc(-c2csc(N)n2)c(C)n1Cc1ccccc1 3300884 QOBHSCNDKUQIAL-UHFFFAOYSA-N 283.400 3.859 0 40 CHAB Cc1[nH]c2ccccc2c1CC(=O)N1C[C@@H](C)C[C@@H](C)C1 45264945 QWQVRJSHHSZVRN-BETUJISGSA-N 284.403 3.523 0 40 CHAB O=C(Cc1ccc(Cl)c(Cl)c1)NC1CCCCC1 3437361 DGWUMUKYENUTSS-UHFFFAOYSA-N 286.202 3.985 0 40 CHAB CSc1ccccc1NC(=O)CN1CCCCCCC1 3538895 LSBHCSMODXEAFG-UHFFFAOYSA-N 292.448 3.613 0 40 CHAB CCCn1c(C)cc(/C=C/C(=O)NC2CCCC2)c1C 12997294 UIVZIXVAPZFIRH-MDZDMXLPSA-N 274.408 3.587 0 40 CHAB Cc1nc(/C=C/C(=O)N2CCC[C@@H]3CCCC[C@H]32)cs1 12918735 QNBOVGYNAWGSGP-QJXJPNQISA-N 290.432 3.646 0 40 CHAB Cc1cccc(NC(=O)C[C@H](C)c2ccc(F)cc2)n1 48782804 NMPROXSDVSTPHZ-NSHDSACASA-N 272.323 3.661 0 40 CHAB CCc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1 13331901 NRPDBRZQJWZYLE-LBPRGKRZSA-N 269.348 3.527 0 40 CHAB Cc1nc(C)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)C2)s1 49242250 NCDDVHJAMPYCQG-XHVZSJERSA-N 295.452 3.699 0 40 CHAB COc1ccccc1CNC(=S)c1ccc(Cl)cc1 408572442 HALTXHYKAKRXAK-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB Cc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2)c(C)c1 5009359 OHWQFHNXCYMDCP-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB C[C@@H](c1cccc(Br)c1)N1CCCC1 91948682 ZZMCLATYQHHCON-JTQLQIEISA-N 254.171 3.606 0 40 CHAB Cc1nc2ccccc2n1CCC(=O)Nc1ccc(F)cc1 5208360 GWKXMQKYOXZVKS-UHFFFAOYSA-N 297.333 3.513 0 40 CHAB O=C(CC1CCCC1)OCC(=O)c1ccc(Cl)cc1 4966434 MSIABAZARYYYPI-UHFFFAOYSA-N 280.751 3.646 0 40 CHAB Cc1c(-c2ccc(F)cc2)[nH]c2ccccc2c1=O 67340175 VTDXJVOPTKSOTR-UHFFFAOYSA-N 253.276 3.643 0 40 CHAB Cc1ccc(C)c(-c2cc3c(Cl)nccn3n2)c1 67225254 LBMPHUKFXUIRLA-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB Cc1ccccc1OC(=O)c1cc(-c2cccs2)on1 15669792 VALGYUIWYLKKCC-UHFFFAOYSA-N 285.324 3.931 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 7593490 JNETWIKAVHEILJ-HTRCEHHLSA-N 275.682 3.536 0 40 CHAB CC(C)(C)NC(=O)c1ccc(C2SCCS2)cc1 7669821 KLYHMWLBTHUUAJ-UHFFFAOYSA-N 281.446 3.694 0 40 CHAB O=C(NCc1cc(F)cc(F)c1)c1ccccc1Cl 72331437 SKUMDGKSIBBIRB-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB Cc1csc(NC(=O)c2nc(C)sc2C(C)C)n1 72402269 QSKBFEFJKRRIAM-UHFFFAOYSA-N 281.406 3.592 0 40 CHAB Cc1cc(C)n(Cc2cccc(NCc3cscn3)c2)n1 95429074 OYEOUBIRLDITDV-UHFFFAOYSA-N 298.415 3.617 0 40 CHAB CC(C)n1nc(C2CC2)nc1CCc1ccccc1F 95529173 ACIWNQZHRWTHSC-UHFFFAOYSA-N 273.355 3.661 0 40 CHAB O=c1cc(-c2ccc(F)cc2)c2c([nH]1)CCCCCC2 22007112 NHKNCECTTVQJJR-UHFFFAOYSA-N 271.335 3.840 0 40 CHAB in-vitro Cc1ccccc1-c1cc2c(N3CCCCC3)nccn2n1 67285400 RMIOLSGDJXUFQA-UHFFFAOYSA-N 292.386 3.695 0 40 CHAB Cc1nc2ccc(C(=O)Nc3ccccc3F)cc2s1 33574070 ABMQYUULMLJKNO-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB CC(C)OCCCNC(=O)N[C@@H](C)c1cccc(Cl)c1 32795188 BGHBGKPUYNNECE-LBPRGKRZSA-N 298.814 3.515 0 40 CHAB Cc1cc(Br)ccc1C(=O)C1CCC1 122183399 RCTYUXFHPVRZKP-UHFFFAOYSA-N 253.139 3.740 0 40 CHAB COC(=O)c1cc(OCCC(C)C)c2cc(C)oc2c1 72228373 NHDXUBYWSPHSQE-UHFFFAOYSA-N 276.332 3.953 0 40 CHAB c1cncc(CSc2nccc3ccccc23)c1 36242339 NYOCJPXRSCEKOU-UHFFFAOYSA-N 252.342 3.922 0 40 CHAB C[C@@H](Cc1ccco1)NC(=O)CCSc1ccccc1 44443899 WPFFAYJBQJBHKK-ZDUSSCGKSA-N 289.400 3.509 0 40 CHAB C[C@H]1CCCCN1c1c(N)cc(Cl)cc1Cl 45958971 QDTFJGNCPWNNHY-QMMMGPOBSA-N 259.180 3.954 0 40 CHAB O=C(NCC1=CCCCC1)c1ccc(Cl)cc1F 225099091 QHLPKNWQRAFAHE-UHFFFAOYSA-N 267.731 3.709 0 40 CHAB CCc1ccc(CC(=O)Nc2ccc(F)c(F)c2)cc1 224183888 BTJRREQFYISUDJ-UHFFFAOYSA-N 275.298 3.708 0 40 CHAB COc1ccccc1C(=O)CCC(=O)c1cccs1 221748176 JQGYVTYBGHLOKE-UHFFFAOYSA-N 274.341 3.603 0 40 CHAB CCOC(=O)Cc1ccccc1Oc1ccccc1 95634608 QYKUDVPDWPLJIF-UHFFFAOYSA-N 256.301 3.585 0 40 CHAB CC1(C)C[C@@](CCN)(c2ccc(Cl)cc2)CCO1 95476529 TZHIUVTXAZUASU-HNNXBMFYSA-N 267.800 3.516 0 40 CHAB CCc1nc(C)cn1-c1ccc(Br)cc1F 95915730 JOOWRMFTRIUOPM-UHFFFAOYSA-N 283.144 3.645 0 40 CHAB CC[C@@H](CC(F)(F)F)NC(=O)c1c(F)ccc(F)c1F 390833886 OMTVSLJZGZUSLP-LURJTMIESA-N 299.214 3.565 0 40 CHAB CC(C)C(NC(=O)[C@@H](C)Oc1ccccc1Cl)C(C)C 13709738 RRIUFASVCDHZFA-GFCCVEGCSA-N 297.826 3.904 0 40 CHAB CCc1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 3069637 RMYFXXWCLCWIHG-CSKARUKUSA-N 295.338 3.630 0 40 CHAB O=C(Cc1ccccc1Cl)c1cc(F)ccc1O 2243276 XZUVJCMUETWFRN-UHFFFAOYSA-N 264.683 3.610 0 40 CHAB CC[C@H](C)NCc1cc(Cl)cc(Cl)c1OC 5907912 WITQPGCGTLZPGK-QMMMGPOBSA-N 262.180 3.890 0 40 CHAB COc1ccc2c(c1)OCC1=C2CC[C@]2(C)C(=O)CCC=C12 16606233 FFWYUWBYJPJSQC-IBGZPJMESA-N 296.366 3.931 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc(N)c(C)c1 19397731 HSMWFYLIWINXTK-UHFFFAOYSA-N 268.360 3.700 0 40 CHAB COc1ccc(NC(=O)c2cccc3ccccc23)c(N)c1 22224122 KUGDRYCEWOSRQG-UHFFFAOYSA-N 292.338 3.683 0 40 CHAB in-vitro O=C(Nc1nc2ccccc2s1)N1CCCCCC1 6238112 QPJJOQSJWSHYCT-UHFFFAOYSA-N 275.377 3.704 0 40 CHAB Cc1nc2ccccc2n1Cc1ncoc1C(C)C 1775967116 GATZHQPIVNSCMO-UHFFFAOYSA-N 255.321 3.504 0 40 CHAB CC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2C)cc1 5268111 VKKBAQGJDNDOQC-UHFFFAOYSA-N 281.355 3.687 0 40 CHAB CCCCNc1cc(C)nc(NCc2ccccc2)n1 2309401 DPOXNTYFLHVMNX-UHFFFAOYSA-N 270.380 3.609 0 40 CHAB biogenic C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCc2ccccc2)o1 40012157 DVMOMKCRNOGCBR-YOEHRIQHSA-N 297.398 3.695 0 40 CHAB O=C(Nc1ccc(Cl)cn1)c1ccccc1Cl 36043 JYOOEMUWMJAROF-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1ccc(OC[C@@H](C)Nc2ncnc3ccsc23)cc1 40500054 IDPQHDYZXAXORV-GFCCVEGCSA-N 299.399 3.879 0 40 CHAB COc1cc2ccc1CCc1ccc(c(OC)c1)CC2 409589 FMKLXRCOBCFQST-UHFFFAOYSA-N 268.356 3.588 0 40 CHAB Cc1ccc(OCC(=O)NCCC2=CCCCC2)c(C)c1 577711 PJCKVQFEIVXECS-UHFFFAOYSA-N 287.403 3.689 0 40 CHAB Cc1cccc(NC(=O)CSc2ccccc2N)c1C 875207 GLGBTGRYNHFTMG-UHFFFAOYSA-N 286.400 3.616 0 40 CHAB O=C(O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 481140 NZFGXUUCPFNSSR-UHFFFAOYSA-N 272.691 3.582 0 40 CHAB CCCCC[C@@H](C)NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O 4651529 ZKMOMRBJRDQHJW-KFWWJZLASA-N 295.423 3.519 0 40 CHAB Nc1ccccc1CNC(=O)Nc1cccc2ccccc12 6277085 PQBHYSWOGFOWEB-UHFFFAOYSA-N 291.354 3.744 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8040970 FYAUAHPOFXJZSQ-BXUZGUMPSA-N 283.799 3.802 0 40 CHAB C[C@@H](CNC(=O)c1ccc(Cl)cc1)c1ccccc1 8168190 FNNTYFJHNDCSCD-LBPRGKRZSA-N 273.763 3.874 0 40 CHAB O=C(O)Cc1nc(C(F)(F)F)ccc1-c1ccccc1F 47206730 INVARMPAWVCWMO-UHFFFAOYSA-N 299.223 3.534 0 40 CHAB O=C(COC(=O)C1CCCCC1)c1ccc(Cl)s1 3228157 SRMYUMNKSONNFM-UHFFFAOYSA-N 286.780 3.708 0 40 CHAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1N 22238878 IWOOVZGFRDFKFU-UHFFFAOYSA-N 292.338 3.683 0 40 CHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1F)CC2=O 100615950 CBGXENVQPGIOEM-IAGOWNOFSA-N 289.350 3.550 0 40 CHAB Cc1nc(Cl)c(Cl)n1CCOc1ccccc1 2242086 WWJNZYHTONLIKX-UHFFFAOYSA-N 271.147 3.577 0 40 CHAB COc1cc(C(=O)Nc2ccccc2SC)ccc1C 12804918 WBUJZXCDOAUFGT-UHFFFAOYSA-N 287.384 3.978 0 40 CHAB CC(C)Oc1ccc(NC(=O)OC(C)(C)C)cc1 8569263 MCDZFKYXODNTBB-UHFFFAOYSA-N 251.326 3.821 0 40 CHAB Clc1ccc2c(NCCOc3ccccc3)ncnc2c1 49586982 SHFDDJYHWTVXHT-UHFFFAOYSA-N 299.761 3.774 0 40 CHAB C[C@]12CC[C@@H]1C[C@@H]2OC(=O)COc1ccc2ccccc2c1 13842776 HPGCVSXJEMUUBG-AYBZRNKSSA-N 296.366 3.950 0 40 CHAB Cc1cccc(-c2nc3c4ccccc4nc(S)n3n2)c1 4372222 JLANTZPNAYCNCG-UHFFFAOYSA-N 292.367 3.542 0 40 CHAB CCCC(CCC)C(=O)Nc1ccccc1C(=O)OC 8714248 YFBIQDGKGXKABK-UHFFFAOYSA-N 277.364 3.628 0 40 CHAB Cc1cc(C)n(-c2nc3c(C)ccc(C)c3s2)n1 26508203 VDGPVTYBZAJYAQ-UHFFFAOYSA-N 257.362 3.716 0 40 CHAB CCOCCN(C(=S)Nc1ccccc1)[C@H](C)C1CC1 8773284 CVPOCYWTYQXQPK-CYBMUJFWSA-N 292.448 3.520 0 40 CHAB CN(C(=O)CSCc1ccc(Cl)cc1)C1CCCC1 20045055 JWVSTNXSNOQKSJ-UHFFFAOYSA-N 297.851 3.974 0 40 CHAB Fc1ccc(NC2=NN=C(c3ccccc3)CS2)cc1 7849472 UINHAAWJOXYUQQ-UHFFFAOYSA-N 285.347 3.745 0 40 CHAB CCOc1ccc(CNCc2ccc(F)cc2)cc1OC 8324710 QESDHWPIZIHSKE-UHFFFAOYSA-N 289.350 3.523 0 40 CHAB Clc1ccc(COC[C@@H]2CCCCN2)c(Cl)c1 28521940 WEVMGEFRWRVDIR-LBPRGKRZSA-N 274.191 3.652 0 40 CHAB CC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCC1 25319256 RQOWABNOXIMLKV-UHFFFAOYSA-N 293.366 3.950 0 40 CHAB CSc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)cc1F 97017101 LKPGHFLGVDDJQP-WDEREUQCSA-N 293.411 3.693 0 40 CHAB Cc1c(F)cccc1NC(=O)c1cc(-c2ccco2)on1 73393184 BVMAZXGIDJEQHM-UHFFFAOYSA-N 286.262 3.634 0 40 CHAB Cc1cccc(-n2ccnc2SC[C@H](C)N(C)C)c1C 95941654 SWVCJOVIMTZETG-ZDUSSCGKSA-N 289.448 3.531 0 40 CHAB C[C@H](N[C@H](c1ccccc1)c1ccccn1)c1cccnc1 89910058 TYIPUAYJUVNGSX-HNAYVOBHSA-N 289.382 3.917 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2F)CC1 306145176 APZGIGXJNMJTLN-LLVKDONJSA-N 257.349 3.526 0 40 CHAB CCCOCc1nn([C@@H](C)CC)cc1Br 408715838 FNDOYFACQGFMCD-VIFPVBQESA-N 275.190 3.543 0 40 CHAB C1=Cc2ccccc2N2N=C3C=Cc4ccccc4N3N=C12 3847059 KIXNSFMKDJYUCX-UHFFFAOYSA-N 284.322 3.694 0 40 CHAB biogenic Cc1ccccc1[C@@H](O)c1cccc(Br)c1 37465043 JVBUUXIPQHBCHL-AWEZNQCLSA-N 277.161 3.839 0 40 CHAB CN(C)c1c(Cl)cc(Br)cc1Cl 35065819 QBHUJQBCHUNYDV-UHFFFAOYSA-N 268.969 3.822 0 40 CHAB CCCCN1CCCC[C@H]1c1cnc(N(C)C)c(C)c1 72218645 GZMAHCLHTLWKCQ-INIZCTEOSA-N 275.440 3.783 0 40 CHAB COc1ccc(-c2nc3ccc(F)cc3s2)cc1N 45920006 DYQJNDGDAHQMLF-UHFFFAOYSA-N 274.320 3.693 0 40 CHAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NC1CC1 44225871 ICRZHRGYJQTLFV-UHFFFAOYSA-N 299.345 3.829 0 40 CHAB CCOC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)ns1 138565786 CWEMJXWDIWZCJB-UHFFFAOYSA-N 290.388 3.679 0 40 CHAB CCCNC(=O)c1ccc(Nc2cccc(C)c2C)c(N)c1 225417912 IWLVAUKQJGZSSX-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB COc1cc(C)c(C(=O)C(F)(F)C(F)(F)F)cc1C 234811790 UXKBOEGUQQDOFF-UHFFFAOYSA-N 282.208 3.692 0 40 CHAB O=C(O)c1oc2ccc(Cl)cc2c1OCC1CC1 96510835 YUIYBIPHWSUWNG-UHFFFAOYSA-N 266.680 3.573 0 40 CHAB O=C(O)COc1ccccc1Oc1ccc(Cl)cc1 257281421 OPDBOIQIJQGIAX-UHFFFAOYSA-N 278.691 3.596 0 40 CHAB C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CNC(=O)C[C@]3(C)[C@H]1CC2 257345565 BPIRFNVICIHJMC-QLQUWJGCSA-N 275.436 3.755 0 40 CHAB C[C@]12CC[C@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@@H]3[C@H]1CC[C@@H]2O 257346119 RHVBIEJVJWNXBU-YXVXJUAZSA-N 276.420 3.569 0 40 CHAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc2c(N)cccc12 685938669 YURCQHFNAPJBCI-VXGBXAGGSA-N 269.392 3.608 0 40 CHAB O=C(O)c1cc2c(Br)c(F)ccc2s1 90693863 BJQKOKOETMCVLV-UHFFFAOYSA-N 275.098 3.501 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccccc1 6275390 CMCLHMZWRQSJBB-AWEZNQCLSA-N 284.428 3.994 0 40 CHAB COc1cc(/C=C/C(=O)O)ccc1OCc1ccccc1C 11863461 FCUSTPZAAJUXCE-CSKARUKUSA-N 298.338 3.680 0 40 CHAB O=C(Cc1cccc2ccccc12)NCc1ccsc1 13698143 OAZBHOKSCUHBHB-UHFFFAOYSA-N 281.380 3.760 0 40 CHAB COc1ccc(CC(=O)Nc2cc(C)ccc2C)cc1C 13972063 UUGAAJDRVZYHDB-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N1CCC(CCc2ccccc2)CC1 40024210 LQJGFLQVVOLPFQ-RHSMWYFYSA-N 271.404 3.514 0 40 CHAB O=C(O)c1ccc(OCc2ccc3ccccc3n2)cc1 20245797 NNJZADJXPQFKOE-UHFFFAOYSA-N 279.295 3.512 0 40 CHAB in-vitro O=C1CS[C@@H](c2ccccc2)N1C1CCCCC1 179890 OULICINYPCYJOF-HNNXBMFYSA-N 261.390 3.593 0 40 CHAB O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)s1 101318 BVSAZXANXALXQP-LLVKDONJSA-N 292.743 3.886 0 40 CHAB Cc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 176771 NDHVFVOIJJCBNY-XNTDXEJSSA-N 297.741 3.993 0 40 CHAB CN[C@H](c1cccnc1)c1ccc(Cl)cc1Cl 40940774 HEDJEUMBKXDANM-CYBMUJFWSA-N 267.159 3.697 0 40 CHAB in-vitro COc1cc2oc(=O)cc(-c3ccccc3)c2cc1C 384855 ZTWBCVGFMSMZEY-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB CCN(CC)c1ccc(Nc2cc(C)nc(C)n2)cc1 11907840 WQKVPRJDMKOUFC-UHFFFAOYSA-N 270.380 3.683 0 40 CHAB Cc1cccc(OCCOc2ccc3ccc(=O)oc3c2)c1 4579997 AHFHONWAUXLDAL-UHFFFAOYSA-N 296.322 3.559 0 40 CHAB CCCCSCC(=O)Nc1ccc(Cl)cc1 6264509 GNVCEYOYSAQWOD-UHFFFAOYSA-N 257.786 3.812 0 40 CHAB Cc1csc(NC(=O)/C=C/c2ccc(Cl)cc2)n1 2740759 WIYJDSWHVZIANQ-QPJJXVBHSA-N 278.764 3.757 0 40 CHAB COc1ccc(CCCC(=O)Nc2ccc(OC)cc2)cc1 10777550 HRLGRGANPSQKGW-UHFFFAOYSA-N 299.370 3.665 0 40 CHAB CCc1ccc(CCC(=O)NCc2ccccc2OC)cc1 8304297 VJPHRUSCAGROII-UHFFFAOYSA-N 297.398 3.507 0 40 CHAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1cccc(Cl)c1 100227585 WSCOFWULFHIQNJ-YOEHRIQHSA-N 299.805 3.700 0 40 CHAB CCn1nc(C)c2nc(C)nc(N[C@H](C)c3ccccc3)c21 57355268 DJNDPXLJMAGTCP-LLVKDONJSA-N 295.390 3.636 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1ccc(CC)cc1 109769378 ZYCHIGMHJUJKBP-UHFFFAOYSA-N 284.359 3.752 0 40 CHAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccoc1 12534373 MHLWGFBLOGXZHR-UHFFFAOYSA-N 284.359 3.912 0 40 CHAB CC(C)Oc1c(-c2ccco2)oc2ccccc2c1=O 1978243 ZAJAILVARJGLGQ-UHFFFAOYSA-N 270.284 3.840 0 40 CHAB Cc1cc(C)c(OCCCNCc2ccco2)c(C)c1 3247039 NNXRNUCPMJCEQR-UHFFFAOYSA-N 273.376 3.764 0 40 CHAB Cc1cc(Nc2ccccc2)n(-c2ccc(C(=O)O)cc2)n1 3264529 QOQYGSVOVQFQCA-UHFFFAOYSA-N 293.326 3.623 0 40 CHAB C[C@H]1CCCN(C(=O)/C=C/c2cccc3cccnc23)CC1 58430010 KYNDCGBUPVPNMH-FEAKQIBJSA-N 294.398 3.897 0 40 CHAB C[C@@H](NC(=O)C1CCC1)c1ccc(Cl)c(Cl)c1 28742805 KIHHJPPNMQSWLU-MRVPVSSYSA-N 272.175 3.971 0 40 CHAB CCc1ccccc1NC(=O)CN(C)Cc1ccccc1C 11230618 SCOAMHFRRHZOHU-UHFFFAOYSA-N 296.414 3.628 0 40 CHAB C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O 36965564 XQNVKJQDDKBJFO-QMMMGPOBSA-N 297.763 3.701 0 40 CHAB in-vitro COCc1ccccc1NC(=O)N(C)Cc1ccsc1 46031983 AOFWCZSJPDSEFN-UHFFFAOYSA-N 290.388 3.558 0 40 CHAB O[C@@H](CNCc1ccccc1)c1ccccc1C(F)(F)F 48555427 AEWYIHDASOFNPG-HNNXBMFYSA-N 295.304 3.529 0 40 CHAB in-vitro CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2)cc1 3536858 WUAUXONERWRRTL-ZDUSSCGKSA-N 284.359 3.524 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)co1 13023131 HSPZAXDAVSLBNM-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NC4CCCC4)cc3c2C1 9377385 RWDRVAOZQVQZRY-GFCCVEGCSA-N 296.414 3.965 0 40 CHAB Cc1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 9316446 IBXFHLRWIBRZLL-QWHCGFSZSA-N 286.762 3.786 0 40 CHAB Cc1noc(C)c1NC(=O)N[C@@H](c1ccccc1)C1CCC1 71857073 DUPWONNGKYJNDH-INIZCTEOSA-N 299.374 3.954 0 40 CHAB Cc1nnc([C@@H](C)Nc2ccc(OC3CCCC3)cc2)o1 71902429 GLDLWUYCXJMEQM-LLVKDONJSA-N 287.363 3.873 0 40 CHAB Cc1nc(Cl)cc(N[C@@H]2C[C@@]2(C)c2ccccc2)n1 72302122 ZNVLACNGVCRGMH-DOMZBBRYSA-N 273.767 3.581 0 40 CHAB Cc1cc(Cl)cc2nc(-c3ccc(N)cc3)[nH]c12 62152876 SOSUBCRESKBZHB-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB CSc1ccccc1C(=O)N(C)c1ccccc1 20219938 AMEZZMIIKREWEZ-UHFFFAOYSA-N 257.358 3.685 0 40 CHAB CNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72212505 YUMGXJVCUVTBKO-ZDUSSCGKSA-N 291.395 3.585 0 40 CHAB CC(C)CNCc1ccc(Br)cc1Cl 37927269 FJWSTZJSDQOYIE-UHFFFAOYSA-N 276.605 3.848 0 40 CHAB COc1cccc(OC)c1[C@@H]1CCCCN1C(C)C 72221439 ONHLCMCKRGYGHY-ZDUSSCGKSA-N 263.381 3.639 0 40 CHAB CCCCC1=NN(c2ccc(Cl)cc2)C(=O)C1 71976519 OWORWXSZSUTOJN-UHFFFAOYSA-N 250.729 3.623 0 40 CHAB CSc1ncccc1[C@H]1CCCCN1CC(C)C 72216963 IKXRTGUYNPYBCK-CQSZACIVSA-N 264.438 3.987 0 40 CHAB COc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72211691 BFKHZLSHVWMRHB-CYBMUJFWSA-N 292.379 3.552 0 40 CHAB Nc1cc(Nc2cc(Cl)cc(Cl)c2)nc(C2CC2)n1 49467612 RCZVFVCCEBYSOI-UHFFFAOYSA-N 295.173 3.987 0 40 CHAB C[C@H]1CCCc2nc3cc(C(F)(F)F)ccc3n21 226251569 BEKNNPZICDDLBH-QMMMGPOBSA-N 254.255 3.952 0 40 CHAB CC(C)Oc1c(Br)ccc2cccnc12 225390204 VWGOAOMRJLCIRM-UHFFFAOYSA-N 266.138 3.785 0 40 CHAB CC1(C)CC(=O)[C@H]2C(c3cccc4ccccc34)=NN[C@H]2C1 228920020 LKVVFJUYXUZCIV-RDJZCZTQSA-N 292.382 3.521 0 40 CHAB CCc1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 225320821 ARJPJMAJTBEQAE-NFAWXSAZSA-N 274.433 3.724 0 40 CHAB Nc1cnccc1C(=O)c1ccc(-c2ccccc2Cl)o1 199712553 LMHCJQRJSQVUFM-UHFFFAOYSA-N 298.729 3.808 0 40 CHAB Nc1cc(Cl)c(N2CCCCCC2)c(Cl)c1 96524262 FFPUAZUFFIGOJB-UHFFFAOYSA-N 259.180 3.956 0 40 CHAB O=C(Nc1ccc(F)cc1)Nc1ccc(F)c(F)c1F 95535239 JVSSEJKGEISCOI-UHFFFAOYSA-N 284.212 3.887 0 40 CHAB CC[C@@H](NC(=O)c1ccc(Br)cc1)C(C)C 42550593 VWZGDAKAEFBVSZ-GFCCVEGCSA-N 284.197 3.614 0 40 CHAB COc1ccc(-c2csc(Nc3cccnc3)n2)cc1 108866 GEZZFOUNBKEIRG-UHFFFAOYSA-N 283.356 3.957 0 40 CHAB aggregator CCCCNC(=S)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 102154766 JYSGHLLQVNGKSN-DOMZBBRYSA-N 268.470 3.562 0 40 CHAB Clc1ccc(-c2c[nH]nc2C2CCOCC2)cc1 19336526 DJSIJBKCWVXLBQ-UHFFFAOYSA-N 262.740 3.624 0 40 CHAB CC1=CCN(c2ccccn2)O[C@H]1c1ccccc1 5499070 AGQPVKZKNMAYHH-MRXNPFEDSA-N 252.317 3.521 0 40 CHAB Cc1ccsc1C(=O)N1CC=C(c2ccccc2)CC1 13023632 BVYFETJDQYUOAD-UHFFFAOYSA-N 283.396 3.986 0 40 CHAB CCc1cccc(C)c1NC(=O)c1sc(C)nc1C 14427959 PWOPCJOSBYRSHI-UHFFFAOYSA-N 274.389 3.883 0 40 CHAB CCOc1ccc(NC(=O)CC(C)C)c2cccnc12 15840835 DDIMJDCTBIGFQK-UHFFFAOYSA-N 272.348 3.618 0 40 CHAB Cc1ccccc1N1N[C@]2(C[C@@H](C)CC(C)(C)C2)NC1=O 15867862 QWVCOKXBURSPEK-SJCJKPOMSA-N 287.407 3.572 0 40 CHAB O=C(Nc1ccccc1S)c1ccc(Cl)cc1 16450396 RWCZFCJUMZVTJK-UHFFFAOYSA-N 263.749 3.881 0 40 CHAB O=C(/C=C/c1ccco1)N1CCC(Cc2ccccc2)CC1 2647353 QHQBPFJZQUVMQE-CMDGGOBGSA-N 295.382 3.774 0 40 CHAB C[C@H]1C[C@H](C)CN(C2=CC(=[N+]3CCCC3)CC(C)(C)C2)C1 15953136 FQMNXKJTBBWHTO-HOTGVXAUSA-N 289.487 3.916 0 40 CHAB Cc1cccc(-c2nnc([C@H](C)N(C)Cc3ccco3)o2)c1 30978412 VMWFCEOMZISTDQ-ZDUSSCGKSA-N 297.358 3.831 0 40 CHAB C[C@@H](NCc1nc(C(C)(C)C)no1)c1ccccc1Cl 32755604 NHJYIQBPWWDZQE-SNVBAGLBSA-N 293.798 3.871 0 40 CHAB Cc1ccc(OCCCC(=O)N2CCCCCC2)cc1 46463014 IDLIDNWXYMDVFN-UHFFFAOYSA-N 275.392 3.557 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@H]1CC=C(Cl)Cl 494781 JNLNZHBQHVDQJD-NSHDSACASA-N 283.158 3.734 0 40 CHAB O=C(Cc1cccc(F)c1)NC[C@H]1CCCc2ccccc21 30894502 YFBOHQCDIZQCOM-MRXNPFEDSA-N 297.373 3.605 0 40 CHAB CC1=CC(C)(C)N(C)C(=O)N1c1ccc(Cl)cc1 262612 UKKXXDSGJBNREG-UHFFFAOYSA-N 264.756 3.894 0 40 CHAB CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 596 VOKSWYLNZZRQPF-GDIGMMSISA-N 285.431 3.883 0 40 CHAB fda Cc1ccc(C)c([C@H](C)NC(=O)c2ccc3c(c2)OCO3)c1 1000829 XQSCOLJVXSZEDJ-ZDUSSCGKSA-N 297.354 3.523 0 40 CHAB Cc1ccc(-c2csc(-n3cccc3C=O)n2)cc1 1527094 LQPBSOSOYKDDCQ-UHFFFAOYSA-N 268.341 3.722 0 40 CHAB O=C1O[C@@H](c2ccccc2)C[C@H]1Cc1ccccc1 1597596 FFDIWTPEXKMPOY-HZPDHXFCSA-N 252.313 3.534 0 40 CHAB CCCC[C@@]1([C@H](O)CC)Sc2ccccc2N1C 1609160 QNWPKOJOIYNYEB-CABCVRRESA-N 265.422 3.886 0 40 CHAB CC(C)(C)OC(=O)c1ccccc1C(=O)c1ccccc1 1638406 BNGCYQKRGJSWIY-UHFFFAOYSA-N 282.339 3.873 0 40 CHAB O=C(O[C@H]1c2cccc3cccc(c23)[C@@H]1O)c1ccccc1 1716940 XLGWYZRUVUWDAY-ROUUACIJSA-N 290.318 3.785 0 40 CHAB Cc1ccc(NC(=S)NCCC(C)C)c(C)c1 2784732 QTQDJCBGFLGZDC-UHFFFAOYSA-N 250.411 3.636 0 40 CHAB Cc1nc2c(c(SCc3ccccc3C)n1)CCC2 12016909 VFZPYYBAOANFJN-UHFFFAOYSA-N 270.401 3.874 0 40 CHAB COC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 487695 RTUIBFPUMCUVIG-UHFFFAOYSA-N 277.323 3.997 0 40 CHAB biogenic c1cnc(SCc2cccc3ccccc23)nc1 6342529 SYSFPPUWTCAJEL-UHFFFAOYSA-N 252.342 3.922 0 40 CHAB CCCN1C(=O)S/C(=C/c2sccc2C)C1=O 6654755 LUIGUBZTXAFAHC-JXMROGBWSA-N 267.375 3.503 0 40 CHAB CCSc1nnc(-c2cc(Cl)ccc2OC)n1CC 7605422 IALOAUYKCKDZHN-UHFFFAOYSA-N 297.811 3.739 0 40 CHAB Cc1nc(CC(=O)Nc2ccc(C)c(Cl)c2)cs1 7995536 RNWSVOVUIVHONY-UHFFFAOYSA-N 280.780 3.595 0 40 CHAB O=C(NCCc1ccc(Cl)cc1)c1cc2ccccc2[nH]1 8078121 SDKYXTKPHXHHBL-UHFFFAOYSA-N 298.773 3.794 0 40 CHAB CC(C)CCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 58999519 SGZKAQBRSONNHU-CQSZACIVSA-N 291.435 3.914 0 40 CHAB CCCCc1ccc(-n2c(C)nc3[nH]cc(C)c3c2=N)cc1 104228127 UXCCKRCWYSGZLJ-UHFFFAOYSA-N 294.402 3.793 0 40 CHAB c1ccc2c(c1)N=c1cc3c(cc1N2)=Nc1ccccc1N3 100323440 XLZKTQLUMJANSV-UHFFFAOYSA-N 284.322 3.703 0 40 CHAB in-vitro COc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1 819069 KJJUIWIRHLMAKM-UHFFFAOYSA-N 293.370 3.708 0 40 CHAB Cc1ccc(CC(=O)NC[C@@H](C)c2ccccc2)cc1C 23722233 WSIVIZRTJNYSOU-MRXNPFEDSA-N 281.399 3.766 0 40 CHAB CC(=O)c1csc(C(=O)N(C)[C@H](C)c2ccccc2)c1 106601398 MBTDSVCIVLXKQW-LLVKDONJSA-N 287.384 3.784 0 40 CHAB Cc1ccc(-c2nc(C)c(C(=O)N(C)CC3CC3)s2)o1 47920471 FMVSMOPMEDJOPP-UHFFFAOYSA-N 290.388 3.502 0 40 CHAB Cc1nc(NC(=O)c2ccc(Cl)cc2F)sc1C 21598377 WXUPNFAHENZRQL-UHFFFAOYSA-N 284.743 3.805 0 40 CHAB Cc1nnc(CN(C)C(c2ccccc2)c2ccccc2)o1 58063065 JVHPDUZWKBJVGM-UHFFFAOYSA-N 293.370 3.599 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1C 20489058 OQBDUWSGORSWMY-HZPDHXFCSA-N 297.398 3.948 0 40 CHAB Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccnc2)s1 44972834 KHPGVCSHXPAHRY-LLVKDONJSA-N 275.377 3.676 0 40 CHAB O=C(c1cccc(Cl)c1)c1ccc(F)c(F)c1F 61838005 PLBRTYPDJOSZMS-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB COc1ccc(Nc2nc3ccccc3nc2C)c(OC)c1 12736791 MSIQPTSAHODRQQ-UHFFFAOYSA-N 295.342 3.699 0 40 CHAB Cc1ccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1 45951862 ZWOZCAYKSPKENQ-GDBMZVCRSA-N 290.407 3.712 0 40 CHAB COc1ccc([C@@H](NC(=O)c2cccs2)C2CC2)cc1 8768339 LCIYNPIGLXYNCK-HNNXBMFYSA-N 287.384 3.638 0 40 CHAB Cc1occc1C(=O)Nc1nc2ccc(F)cc2s1 12994110 BTCGVWRDSHLHJU-UHFFFAOYSA-N 276.292 3.589 0 40 CHAB Cc1ccoc1C(=O)N[C@H]1CCSc2ccc(F)cc21 13021946 HZNZSKSQJPWTIV-LBPRGKRZSA-N 291.347 3.694 0 40 CHAB CSc1nc2ccccc2n1C(=O)NC1CCCCC1 13116009 LGONQXDUJIWOBY-UHFFFAOYSA-N 289.404 3.649 0 40 CHAB COc1cc(-n2cc[nH]c2=S)c(Cl)cc1Cl 13142702 ASANWRAIXDBKEM-UHFFFAOYSA-N 275.160 3.850 0 40 CHAB Cc1cccc(NC(=O)N[C@H](C)c2ccccn2)c1C 13331887 TXXJESRVVABIDN-CYBMUJFWSA-N 269.348 3.581 0 40 CHAB Cn1ncc2c1N=C(O)C[C@@H]2c1cccc2ccccc12 49548960 PWSRUUMVAISOIH-CQSZACIVSA-N 277.327 3.697 0 40 CHAB O=C(CCOc1ccccc1)Nc1nc2ccccc2s1 6789542 SPKQNVRKLNAIBE-UHFFFAOYSA-N 298.367 3.704 0 40 CHAB CC1(C)c2ccccc2CN2C(=O)O[C@]3(C)CC[C@@H]1[C@]23C 14987572 NNHHRFVHHXMVBU-QGTPRVQTSA-N 285.387 3.857 0 40 CHAB O=C(Nc1ccccc1Cl)c1cnc2ccccc2n1 7039400 PZCOCLLDMKYZFL-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB O=c1c2cc(Cl)ccc2ncn1C/C=C/c1ccccc1 7440880 NAXHSVIOZLHPGZ-QPJJXVBHSA-N 296.757 3.763 0 40 CHAB CC(C)Cc1ccc(C(=O)Nc2nccs2)cc1 7401143 UKRXCBVQHHQAIG-UHFFFAOYSA-N 260.362 3.594 0 40 CHAB Cc1c(C(=O)NCc2ccccn2)sc2ccccc12 7847911 MLQBVUGDOLBSFV-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB C[C@H](N[C@H]1CCCC[C@@H]1Oc1ccccc1)c1cnccn1 97032867 OENMATXWESJNRB-ZVZYQTTQSA-N 297.402 3.517 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)N(C2CC2)[C@@H](C)C2CC2)o1 73503411 IDSIAQYBKRXNFT-NEPJUHHUSA-N 276.380 3.622 0 40 CHAB CC[C@H](N[C@@H](C)c1nnc(C)o1)c1ccc(Cl)cc1 95984390 WJZNOUVNHVWRKE-ZANVPECISA-N 279.771 3.833 0 40 CHAB O=C(Nc1ccccc1F)c1cnc(-c2ccccc2)nc1 67657355 OHQZDBGTIDEMQG-UHFFFAOYSA-N 293.301 3.535 0 40 CHAB CC(C)[C@@H](NCc1ccc(-c2ccccc2)cc1)C(=O)O 35391899 DUTGFYLOPDJXHO-QGZVFWFLSA-N 283.371 3.552 0 40 CHAB COc1cccc(-c2cccc([C@H]3CCCN(C)C3)n2)c1 72348557 INNQXLRLCGSBCD-HNNXBMFYSA-N 282.387 3.566 0 40 CHAB CN1CCCC[C@@H]1c1cccnc1Nc1ccccc1 72214152 QFGZUVMZLOAUSK-MRXNPFEDSA-N 267.376 3.982 0 40 CHAB O=C(O)c1c2ccccc2nn1[C@@H]1CCCc2ccccc21 36714044 PHBVFAFYPLRGRS-MRXNPFEDSA-N 292.338 3.660 0 40 CHAB COc1ccccc1NC(=O)c1cc(-c2ccccc2)no1 33145323 VYKDJXNOJVVVLC-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB CCCCN1CCCC[C@H]1c1ccc(NCC)nc1 72213099 LENUPCVIHYELCI-HNNXBMFYSA-N 261.413 3.841 0 40 CHAB CC(=O)CCCSc1ccccc1Br 35229347 LCARJDSZIXIRDK-UHFFFAOYSA-N 273.195 3.910 0 40 CHAB Cc1nc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2n1C 74957465 JBGYAQZTWDFTEO-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB CCCCO[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225092700 GOHBQTRTYIRBRG-GFCCVEGCSA-N 291.174 3.806 0 40 CHAB Cc1ccc(CC(=O)NC2CCCCCC2)c(C)c1 224789547 NMTUPYACPZMJNA-UHFFFAOYSA-N 259.393 3.685 0 40 CHAB Cc1ccnc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 45573938 QKBMCVCVOMBMIK-JTQLQIEISA-N 286.400 3.829 0 40 CHAB Cc1cc(C)c(C)c(C(=O)C[C@H](C)CC(=O)O)c1C 43214268 AFWWWMYRYICETD-VIFPVBQESA-N 262.349 3.604 0 40 CHAB O=Cc1nc2ccccc2n1Cc1c(F)cccc1Cl 41058261 QHCNAPKIFBSFQE-UHFFFAOYSA-N 288.709 3.690 0 40 CHAB CCCn1c(C)c(CN)c2cc(OC(C)C)ccc21 223756269 FXSIHWANWFASLK-UHFFFAOYSA-N 260.381 3.606 0 40 CHAB Cc1cn2cc(-c3ccc(Cl)c(Cl)c3)n(C)c2n1 199406757 ODFJMAPTGNCNFN-UHFFFAOYSA-N 280.158 3.955 0 40 CHAB COC(=O)c1cc(OCc2ccccc2Cl)cs1 96511072 WUMQKIUQQRDSJQ-UHFFFAOYSA-N 282.748 3.767 0 40 CHAB C[C@H](c1ccc(-c2ccccc2C(=O)N(C)C)cc1)N(C)C 96151048 CYYGLXQLLNKVON-CQSZACIVSA-N 296.414 3.678 0 40 CHAB CC[C@@H](C(=O)O)N1c2ccccc2[C@H](C)CC1(C)C 260624946 WZRFSTIICCCRQH-YPMHNXCESA-N 261.365 3.642 0 40 CHAB CC1CCN(C(=O)CCSCc2ccccc2)CC1 13687920 ISCBFADSKJMADX-UHFFFAOYSA-N 277.433 3.568 0 40 CHAB Cc1nc2ccccc2nc1-c1oc2ccccc2c1N 16265578 DWJKGFZCTWKAID-UHFFFAOYSA-N 275.311 3.934 0 40 CHAB CCOC(=O)c1nc(Nc2ccccc2F)sc1C 161595443 BVGWTVIAGVWYOL-UHFFFAOYSA-N 280.324 3.511 0 40 CHAB C/C=C1\C=C[C@H]2c3[nH]c4ccccc4c3CCN2C1 1644764 YTLKUODXBRCFIU-WFTNGJJNSA-N 250.345 3.583 0 40 CHAB CCCCOc1cccc(CNC(=O)C[C@H]2C=CCC2)c1 40122180 DAYVMXKGBWHZBG-HNNXBMFYSA-N 287.403 3.838 0 40 CHAB CC[C@H](Oc1cccc(Oc2ccccc2)c1)C(=O)O 13609246 KJHMRZPVRDWLAZ-HNNXBMFYSA-N 272.300 3.721 0 40 CHAB O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccccc1 32070870 FQTSFFUGMWAVSE-UHFFFAOYSA-N 284.746 3.933 0 40 CHAB O=C(Nc1nc2c(F)cccc2s1)c1ccc(F)cc1 4331528 GJOAWCLUZVGLKF-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB Fc1ccc(-c2nnc(-c3ccccc3F)o2)cc1 385302 DIDFQJMUBLOZQB-UHFFFAOYSA-N 258.227 3.682 0 40 CHAB C[C@@H]1CCC[C@]2(C1)NCCc1c2[nH]c2ccccc12 32666102 LPEYZMKDCFQJKR-SJKOYZFVSA-N 254.377 3.719 0 40 CHAB CC(C)c1ccc2c(c1)c1c3n2CCN=C3CCC1 131471 MEGKREGQCPUVEL-UHFFFAOYSA-N 252.361 3.904 0 40 CHAB Cc1cc(C)n(-c2cc(Nc3ccccc3C)nc(C)n2)n1 357242 MUNFYQBCWCDFJV-UHFFFAOYSA-N 293.374 3.640 0 40 CHAB CC(C)CC(C)(C)COC(=O)C(Cl)(Cl)Cl 1685787 KRTGLMSLZSMOKI-UHFFFAOYSA-N 275.603 3.972 0 40 CHAB O=C1Nc2ccccc2[C@H]2Cc3c([nH]c4ccccc34)C[C@H]12 1692018 VTLHZVQWKGYIBJ-HIFRSBDPSA-N 288.350 3.619 0 40 CHAB CCCCOc1ccc(/C=C/c2cc[n+](C)cc2)cc1OC 1810824 SNPCYVKEUKLXAR-VOTSOKGWSA-N 298.406 3.869 0 40 CHAB O=C(O)c1cc(-c2cccs2)nc2ccc(F)cc12 416409 NECNZILGZJOMGJ-UHFFFAOYSA-N 273.288 3.801 0 40 CHAB Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)O 22000566 YLDCVMXOMGMKIA-UHFFFAOYSA-N 287.262 3.836 0 40 CHAB CCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 7053408 SJKXBHYMWQSVKM-UHFFFAOYSA-N 289.400 3.748 0 40 CHAB CCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 8076080 RPYWZPBMSXAYFP-UHFFFAOYSA-N 291.354 3.687 0 40 CHAB Cc1c(CN(C)C)cccc1[C@H](O)C1CCCCC1 8618954 SGJVHOSPVVRFED-QGZVFWFLSA-N 261.409 3.670 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](CC)Oc1cccc(Cl)c1 20490267 BTIPFIWQDANXHM-RISCZKNCSA-N 283.799 3.802 0 40 CHAB O=C(OCc1ccccc1)c1ccc(F)cc1Cl 3264485 JFPABLSHBVZDTL-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB CCN(Cc1nnc(-c2ccco2)o1)Cc1ccccc1C 48059318 DFFLOYIYHNGEIF-UHFFFAOYSA-N 297.358 3.660 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccccc2C)c1C 12612263 IVSIUEBWZXQVBH-LBPRGKRZSA-N 298.386 3.634 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2cccc3ncccc23)s1 12728353 NCGFQZOVWQRTDQ-UHFFFAOYSA-N 296.351 3.751 0 40 CHAB Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)c(F)c1 10030083 ATXWTEJNOHOQHX-UHFFFAOYSA-N 282.318 3.797 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCC[C@@H](C)C1 22519210 IIWYGEHIVMQZDT-CJNGLKHVSA-N 289.419 3.719 0 40 CHAB Cc1cc(NC(=O)c2ccc(C)s2)n(C2CCCC2)n1 28305069 HPICSQPEGMWKAX-UHFFFAOYSA-N 289.404 3.929 0 40 CHAB FC(F)(F)c1cnc(NCc2ccco2)c(Cl)c1 20559892 LMMVHEYSRJTICO-UHFFFAOYSA-N 276.645 3.959 0 40 CHAB CCOC(=O)c1ccc(OCc2ccccc2C)cc1 62170284 CYADAWHJCPGASI-UHFFFAOYSA-N 270.328 3.751 0 40 CHAB Cc1n[nH]cc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 38011490 FRYIDMLWNUFKKQ-OAHLLOKOSA-N 275.783 3.612 0 40 CHAB C[C@@H](c1cccc(F)c1)S(=O)(=O)Cc1ccccc1 69622121 LFDGOGZEDMCOSP-LBPRGKRZSA-N 278.348 3.502 0 40 CHAB CSC1=NC(/C=C/c2ccc(F)cc2)=CC(C)(C)N1 4039831 IQMYHJKDNBKURJ-RMKNXTFCSA-N 276.380 3.824 0 40 CHAB COc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1F 69873640 ZKHSTGOFJVAAMU-MRXNPFEDSA-N 285.362 3.824 0 40 CHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1 6347220 SSUOKTCXFYPRMV-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB Cc1ccc(CN(C)C(=O)Cc2cc(C)ccc2C)cc1 20050178 QEJLFVDMUQFTGD-UHFFFAOYSA-N 281.399 3.813 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)Cn2ccc3ccccc32)[C@@H]1C 4676658 IBVFHTJJEKWKLG-IIAWOOMASA-N 284.403 3.582 0 40 CHAB Cc1nc(CNCC23CC4CC(CC(C4)C2)C3)cs1 6651077 ZWAQXTVLGMNDEC-UHFFFAOYSA-N 276.449 3.758 0 40 CHAB C[C@H](NCCc1nc(-c2ccccn2)cs1)c1ccco1 90044587 GIAKNMDXUVVXDW-LBPRGKRZSA-N 299.399 3.691 0 40 CHAB CC(=O)Nc1ccc(C(C)=O)cc1OCc1ccccc1C 8941381 YHXYTVYXROYGIS-UHFFFAOYSA-N 297.354 3.735 0 40 CHAB Cc1ccc(F)c(NC(=O)c2cc(F)cc(F)c2)c1 15572136 PLDHRDWIDBCGHP-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7306580 NMLDQJOMSUZIDH-POYBYMJQSA-N 277.673 3.953 0 40 CHAB Clc1nc(Cl)c2sc(Br)cc2n1 66323444 JSIBZFQOVIDMRH-UHFFFAOYSA-N 283.965 3.761 0 40 CHAB O=C(O)c1cn(Cc2cccc(F)c2)c2ccccc12 9239695 ZDIKIDANVXWHGO-UHFFFAOYSA-N 269.275 3.527 0 40 CHAB CCOc1cccc(C[S@@](=O)[C@H](C)c2cccs2)n1 97085325 XVXFOBQVAHRAOD-WYRIXSBYSA-N 295.429 3.552 0 40 CHAB C[C@@H](c1cccc(Cl)c1)[S@](=O)CC1CCOCC1 95439197 DLZSBZWJRXQXOD-VOJFVSQTSA-N 286.824 3.576 0 40 CHAB CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1ccccc1F 89669294 TVTODGJDYKFBGT-GOSISDBHSA-N 296.345 3.832 0 40 CHAB Cc1ccc(Nc2nc(Cl)nc(Cl)n2)c(C)c1 5337182 MNDVNQZUCSTNLG-UHFFFAOYSA-N 269.135 3.539 0 40 CHAB COc1cc(C=O)cc(Br)c1OCC=C(C)C 35219877 AFKNBVAZKASOGS-UHFFFAOYSA-N 299.164 3.615 0 40 CHAB CN(Cc1cc(Br)ccc1N)C1CCCCC1 77270997 ZYLPFXIGTPKCAO-UHFFFAOYSA-N 297.240 3.796 0 40 CHAB in-vitro O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1ccsc1 40534472 OHFYDCYMVGBKJI-JSGCOSHPSA-N 261.390 3.768 0 40 CHAB Cc1cc(C)cc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)c1 225036711 FKXOICCNUBHABR-GOSISDBHSA-N 298.382 3.995 0 40 CHAB Cc1cccc(NC(=O)Cc2ccc(C)cc2C)c1 224900235 DGPQPESKFKQNDJ-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CC(C)[C@@H](C)NC(=O)COc1ccc(Cl)cc1Cl 49535534 JXVJQXOBSAIUCH-SECBINFHSA-N 290.190 3.533 0 40 CHAB Clc1nc(Cl)c2[nH]c(-c3ccccc3)cc2n1 49582333 RSYBVSVLBSDACE-UHFFFAOYSA-N 264.115 3.932 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCC1=CCCCC1 224618269 KDYXDKDTYUJXEC-KRWDZBQOSA-N 287.403 3.769 0 40 CHAB Clc1cccc(N2CCC(c3ccccc3)=N2)c1 196726234 OJHLWIMVGGJZGI-UHFFFAOYSA-N 256.736 3.954 0 40 CHAB CCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1 225722123 BTORITRFZZTGHX-QGZVFWFLSA-N 291.391 3.619 0 40 CHAB Cc1cc(C)cc(CN(C)[C@H](C)c2nnc(C)s2)c1 225772792 KYGJCBHDHNNBNV-GFCCVEGCSA-N 275.421 3.656 0 40 CHAB CC[C@H](C)NC(=O)CCc1c(Cl)cccc1Cl 225342728 MCNJAOLLORYEKF-VIFPVBQESA-N 274.191 3.841 0 40 CHAB CCO[P@]1(=O)C=C(C)N(C)[C@H]1c1ccccc1 254305414 QOLMNTZCLSEOSB-CXAGYDPISA-N 251.266 3.807 0 40 CHAB c1ccc(CN(Cc2nc3ccccc3o2)C2CC2)cc1 43643268 JTTXUKWWUNAKTC-UHFFFAOYSA-N 278.355 3.992 0 40 CHAB O=CN[C@H](CSc1ccc(Cl)cc1)c1ccccc1 255188677 KTIGLESFCMPORX-OAHLLOKOSA-N 291.803 3.919 0 40 CHAB O=C(Nc1cccc(F)c1)c1cccnc1-c1cncs1 257306088 SSVNGZLVFYACAT-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB COc1ccc(C)cc1C(=O)C(Cl)(Cl)Cl 382674242 JGUNHTKJFQANMU-UHFFFAOYSA-N 267.539 3.557 0 40 CHAB O=C(O)CC1(CC(=O)c2cc(F)cc(F)c2)CCCCC1 95634187 ZIQPNXPDNKBGIT-UHFFFAOYSA-N 296.313 3.963 0 40 CHAB Cc1ccc(C(=O)CC(C)(C)CC(=O)O)cc1Cl 95634098 QPRDPUHWIQUUFW-UHFFFAOYSA-N 268.740 3.722 0 40 CHAB Cc1ccncc1Nc1nc(-c2ccoc2)cs1 96124502 AORAMTCPWDWGDC-UHFFFAOYSA-N 257.318 3.850 0 40 CHAB Cc1noc(C)c1CNc1nc2ccccc2s1 63255196 KEEZVRBBYKRWOM-UHFFFAOYSA-N 259.334 3.513 0 40 CHAB CCCC[C@@H]1[C@@H](C)C1(Br)Br 2144931 VVXFDFGQTPWSOD-RNFRBKRXSA-N 270.008 3.929 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1F 12552897 RKZKVRVMNPHKLL-INIZCTEOSA-N 284.334 3.506 0 40 CHAB Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c(C)o1 12931575 SUXMKMYFCMWORK-RYUDHWBXSA-N 289.297 3.747 0 40 CHAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc(Cl)cc1 19287486 YSTXAYMWXJLSHB-PBHICJAKSA-N 299.805 3.700 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1N 19407721 YPGXNPIKIIIPOO-UHFFFAOYSA-N 294.276 3.848 0 40 CHAB Cc1cccc(C2=N/C(=C\C=C/c3ccccc3)C(=O)O2)c1 5328248 IWRNNCWDOYZRTJ-YBABKZQSSA-N 289.334 3.896 0 40 CHAB COc1ccc(C[C@H](C)N[C@H](C)c2ccccc2)cc1 35647634 OMJHYGQXULQISO-LSDHHAIUSA-N 269.388 3.977 0 40 CHAB O=Cc1cc2sc3cc(C=O)sc3c2s1 30678518 DOOTUPNBFBPBJP-UHFFFAOYSA-N 252.341 3.803 0 40 CHAB CCCCCCSc1nc(O)cc(C2CC2)n1 2087043984 DNPJYRMXIZUQMP-UHFFFAOYSA-N 252.383 3.732 0 40 CHAB Fc1ccc(-c2cc([C@H]3CCCCCN3)on2)cc1 12133662 JQHVNJVSGSWEJX-CYBMUJFWSA-N 260.312 3.685 0 40 CHAB O=c1oc(-c2ccccc2)nc2ccc(Cl)cc12 61668 RQDCQRFZYXJXMW-UHFFFAOYSA-N 257.676 3.508 0 40 CHAB Oc1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1 387388 RCUBJVBTFOLMQT-UHFFFAOYSA-N 278.233 3.726 0 40 CHAB COCn1nc(-c2ccc(Cl)cc2Cl)oc1=S 350639 QWJBTVBXEGHNME-UHFFFAOYSA-N 291.159 3.783 0 40 CHAB CCN(CC)C[C@H](Oc1ccccc1)C(=O)c1ccccc1 1648434 QZQSOAHZXPHQCZ-SFHVURJKSA-N 297.398 3.659 0 40 CHAB Brc1cnc2cccc(Br)c2c1 32914897 IBADFXOMCWHDMS-UHFFFAOYSA-N 286.954 3.760 0 40 CHAB in-vitro Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc(O)cc1)N2 4458726 CZFHEXWDCUTIMN-SFHVURJKSA-N 291.354 3.845 0 40 CHAB CCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 6879174 RXHAECSCULFHKG-DHZHZOJOSA-N 281.764 3.786 0 40 CHAB Cc1ccc(NC(=S)NCc2cccnc2)cc1Cl 7526150 AGBZITJOVDPKFD-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB COc1cccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1 22006228 AVUPCGGBSUNPLH-LSDHHAIUSA-N 273.376 3.872 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Cc1ccccc1)C2 103427440 ROQYJNSSIFGHGK-DAYGRLMNSA-N 271.404 3.560 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2ccccc2)c(C)c1 8050179 REGGSKNMBJIREL-MRXNPFEDSA-N 297.398 3.729 0 40 CHAB O=C(CCc1cccs1)Nc1nc2c(s1)CCCC2 9642778 YLVFARXQOKPGAH-UHFFFAOYSA-N 292.429 3.655 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccccc1 3237515 QBMMWYHVBZEFSZ-STQMWFEESA-N 263.406 3.568 0 40 CHAB CCOc1c(-c2ccco2)oc2ccc(C)cc2c1=O 1951902 PLAXSJBHECIMLF-UHFFFAOYSA-N 270.284 3.760 0 40 CHAB CCCC(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27662476 XRUFVMGLPUESBT-AWEZNQCLSA-N 294.464 3.582 0 40 CHAB Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)C1CC1 11205621 CILNYRLKRALLNG-IBGZPJMESA-N 295.382 3.641 0 40 CHAB COc1cccc(CNC(=O)N(C)[C@H](C)c2ccccc2)c1 11760568 VPEGEDGHBALMIA-CQSZACIVSA-N 298.386 3.598 0 40 CHAB Cc1ccc([C@H](NC(=O)Nc2cc(C)on2)C2CC2)cc1 12933178 DXXBWGASDXYKSP-HNNXBMFYSA-N 285.347 3.564 0 40 CHAB Cc1cc(CSCC(=O)Nc2cccc(Cl)c2)no1 65607918 IAMNEZARYKTHIG-UHFFFAOYSA-N 296.779 3.508 0 40 CHAB Cc1ccccc1C(=O)Nc1nc(-c2cccnc2)cs1 6507795 QXGOKDSDAIAPOF-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CCCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1 17322276 JICTZZWDMIMHNQ-UHFFFAOYSA-N 295.382 3.838 0 40 CHAB CC1CCN(C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 4723262 IVIGFDJXCVSDLP-AEFFLSMTSA-N 278.484 3.761 0 40 CHAB O=c1c2sc(-c3ccccc3)cc2nc2n1CCCCC2 4899289 UIQCFHAFSCSYMY-UHFFFAOYSA-N 296.395 3.851 0 40 CHAB Cc1cc(C)cc(NS(=O)(=O)c2cccc(Cl)c2)c1 7056365 JELFSRWJCGXEON-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB COc1ccc(C(=O)N2CCCSc3ccccc32)cc1 15518651 LPQCBZUOEDFLHH-UHFFFAOYSA-N 299.395 3.838 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1ccc2ncccc2c1 71121684 SNBUJHWITBTJGH-SFHVURJKSA-N 288.350 3.652 0 40 CHAB Fc1cc(F)c(OC(F)(F)F)c(Br)c1 95215780 DYNIBANXICFZQA-UHFFFAOYSA-N 276.986 3.626 0 40 CHAB O=C(c1ccccc1)N1CC=C(c2cccs2)CC1 98010443 QHQLVXXLKQDHEC-UHFFFAOYSA-N 269.369 3.678 0 40 CHAB CCCN(c1ncnc2sc3c(c12)CCC3)C1CC1 95997014 ZYXIBHZQDQQYMW-UHFFFAOYSA-N 273.405 3.559 0 40 CHAB CCCn1c([C@H]2CCCN2C(=O)CC)nc2ccccc21 21787087 MTARWVNAIZQTQH-OAHLLOKOSA-N 285.391 3.520 0 40 CHAB Nc1nc2c(s1)[C@@H](c1ccc(Cl)cc1)CC(O)=N2 32092220 TUFOVEUAMULLCC-MRVPVSSYSA-N 279.752 3.502 0 40 CHAB COc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1 31943804 SKYOJUOXZYMBOH-UHFFFAOYSA-N 252.317 3.855 0 40 CHAB C=Cc1ccc(N2CCc3ccccc3C2)nc1C 72224943 DJFDKTYEGGWAIJ-UHFFFAOYSA-N 250.345 3.596 0 40 CHAB Clc1ccc(Cl)c(COC[C@H]2CCCNC2)c1 72203673 KTSWUMBOJPLPPG-JTQLQIEISA-N 274.191 3.510 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc[nH]c1=S 72217058 NBIXLGLBDKUDRI-LLVKDONJSA-N 280.393 3.816 0 40 CHAB COc1ccc2cc(C(=O)N(C)[C@H](C)C(C)(C)C)[nH]c2c1 30420887 MSMIIYQCAWQSHP-LLVKDONJSA-N 288.391 3.683 0 40 CHAB CC[C@H](NC(C)C)c1cccc(Br)c1 37186265 UXRSSSHWGNWZPN-LBPRGKRZSA-N 256.187 3.898 0 40 CHAB CC(C)CN1CCC[C@H]1c1ccc(OC(C)C)nc1 72211903 POQNGYIIPFTQAI-HNNXBMFYSA-N 262.397 3.662 0 40 CHAB Cc1ccc(C(=O)NCCSC(C)(C)C)c(Cl)c1 224996040 WZWAVJHQGBJEKZ-UHFFFAOYSA-N 285.840 3.910 0 40 CHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 40945966 RKOGXMSNIYQWPK-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB Clc1ccc(COCC[C@@H]2CCCNC2)c(Cl)c1 42771824 BKAPOHXRFFETFZ-NSHDSACASA-N 288.218 3.900 0 40 CHAB Brc1ccc2c(cnn2Cc2ccccc2)c1 90411227 KTTCZZNCIPVXKX-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB CC(C)Oc1cc(Br)ccc1Br 90413202 XEMLGBATYVIYNF-UHFFFAOYSA-N 293.986 3.999 0 40 CHAB in-vitro CCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 95917659 WWOZHSMWVHPEIQ-UHFFFAOYSA-N 272.188 3.561 0 40 CHAB Cc1cnc([C@H]2CCCN(C(=O)c3cccs3)C2)s1 257296808 REMIEOBFQHLHJP-NSHDSACASA-N 292.429 3.533 0 40 CHAB CCOc1ccccc1C(=O)c1ccccc1CC 95916899 UFPNGSUCLKJXQV-UHFFFAOYSA-N 254.329 3.879 0 40 CHAB Cc1c(C(C)C)[nH]c2cc(Br)ccc2c1=O 685938032 HFFLKWBBSOBPFV-UHFFFAOYSA-N 280.165 3.722 0 40 CHAB Cc1[nH]c2cc(Br)ccc2c(=O)c1C(C)C 685938300 PRVIRHXPSCGHDY-UHFFFAOYSA-N 280.165 3.722 0 40 CHAB COc1cc(CN[C@@H](C)c2cc3ccccc3o2)ccn1 62057913 ZOVVZYQUYJHNNE-LBPRGKRZSA-N 282.343 3.687 0 40 CHAB CCn1c(C(=O)Nc2cc(C(C)C)n[nH]2)cc2ccccc21 63111686 WTRDTRMLOYIRGE-UHFFFAOYSA-N 296.374 3.760 0 40 CHAB O=C(CC1CCCC1)NC12CC3CC(CC(C3)C1)C2 5557331 RXZXPOYVYNVOGJ-UHFFFAOYSA-N 261.409 3.652 0 40 CHAB CCOc1ccc(CNc2n[nH]c3nc(C)cc(C)c23)cc1 12115902 LYWIBGKKOXRODF-UHFFFAOYSA-N 296.374 3.586 0 40 CHAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 14215639 YZNLLKVROBFGQA-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 16400794 VGTBJPHCCSPXEH-GXTWGEPZSA-N 277.795 3.992 0 40 CHAB Cc1cc2cccc(NC(=O)C[C@@H](C)n3ccnc3)c2o1 19126666 HRMHKNNNNKBPBR-LLVKDONJSA-N 283.331 3.528 0 40 CHAB Cc1ccc2cc3c(nc2c1C)OC(=O)N(C1CCC1)C3 19234313 JKDZWFQAZWDHIP-UHFFFAOYSA-N 282.343 3.719 0 40 CHAB Cc1ncc(C(=O)Nc2c(Cl)cccc2Cl)c(C)n1 19936964 YPILIPPDXWGUEJ-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB O=C(c1cccc(F)c1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008922 SBJISCOMXRIEGM-IRXDYDNUSA-N 285.362 3.929 0 40 CHAB COC(=O)c1ccc(Nc2cc(Cl)ccc2C)c(N)c1 41079634 ILKSUKVMCYFLCB-UHFFFAOYSA-N 290.750 3.761 0 40 CHAB CC(=O)N[C@H](Sc1ccc(Cl)cc1)C(Cl)Cl 3114898 BQMZSYQPGRNHDR-SNVBAGLBSA-N 298.622 3.698 0 40 CHAB O=C(Nc1ccccc1)c1c(O)ccc2ccccc12 28649066 CXYMDAXGGAITQP-UHFFFAOYSA-N 263.296 3.798 0 40 CHAB Cc1ccc(-c2nnc(SCC(=O)C(C)(C)C)o2)cc1 386088 CHDJDRXDFCIJDC-UHFFFAOYSA-N 290.388 3.752 0 40 CHAB c1ccc2c[n+](Cc3ccnc4ccccc34)ccc2c1 1501066 LQYIGOGIVWBFNA-UHFFFAOYSA-N 271.343 3.724 0 40 CHAB in-vitro Cc1ccc2c(c1)C[C@@]1(C2)Cc2ccc(C)cc2C1=O 1855392 JFUNQSZGTSZUHR-LJQANCHMSA-N 262.352 3.827 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 102588629 IBWPVCBFEGOSML-QSPRXWTASA-N 271.404 3.560 0 40 CHAB Cc1cccc(NC(=O)CCOc2ccccc2C)c1 3086428 QBFWRLJQUMBXOS-UHFFFAOYSA-N 269.344 3.711 0 40 CHAB O=C1[C@H]2CC=CC[C@@H]2[C@@H]2c3[nH]c4ccccc4c3CCCN12 4024633 XUWVWNMIJTWBHD-RLFYNMQTSA-N 292.382 3.580 0 40 CHAB COC(=O)c1ccc(COc2cccc3ccccc23)o1 484304 LIRQKESNRTVTJJ-UHFFFAOYSA-N 282.295 3.798 0 40 CHAB C[C@H](NC(=O)c1cc(F)cc(F)c1)[C@H]1C[C@H]2CC[C@H]1C2 108924764 GSCPOBFEYKDEKQ-USXUVBGUSA-N 279.330 3.519 0 40 CHAB Nc1cccc(-c2ccnc3c(-c4ccccc4)cnn23)c1 12396168 IXAUDDRQKJVPCD-UHFFFAOYSA-N 286.338 3.646 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101290816 OPJVYVKELWZCHS-XNISGKROSA-N 257.377 3.550 0 40 CHAB O=C(O)CSc1ccc2ccccc2c1Br 3168880 APLQYQFWDUTNCL-UHFFFAOYSA-N 297.173 3.779 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC=CCC1)CC3 25542817 DCNYDSMIKXNRDZ-CQSZACIVSA-N 294.398 3.717 0 40 CHAB Cc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1 3236225 QSTHNBBMXQQWHW-UHFFFAOYSA-N 297.402 3.552 0 40 CHAB CC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 28210984 DJLAXFJZFAXAHH-UHFFFAOYSA-N 271.282 3.578 0 40 CHAB CC(C)COc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 20244029 IEGPGUHATLMODP-QGZVFWFLSA-N 296.370 3.576 0 40 CHAB CCC(O)(CC)c1cccc(C(O)(CC)CC)c1 45028206 DBVBDLSFXMYKIU-UHFFFAOYSA-N 250.382 3.702 0 40 CHAB in-vitro O=C(Nc1cccc(CN2CCCC2)c1)c1cccc(F)c1 58438508 SRNFKRAKLAHKFT-UHFFFAOYSA-N 298.361 3.674 0 40 CHAB O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccccc1CC2 4130315 DHPOTFFYENMTRB-UHFFFAOYSA-N 293.297 3.838 0 40 CHAB CSc1cccc(NC(=O)c2ccc(F)c(F)c2)c1 22561346 LLBGMYBRXRGVRY-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB CC(C)OCCOc1ccccc1C(=O)Nc1ccccc1 25605057 UEMZCEJIITYGAP-UHFFFAOYSA-N 299.370 3.743 0 40 CHAB CC(=O)c1cccc(NC(=O)CCOc2ccccc2C)c1 6432793 ZAIPBPNHJNVFHY-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB CCC[C@H](C)c1nnc(NC(=O)c2ccccc2F)s1 4696344 VQEWBGRFFQASLX-VIFPVBQESA-N 293.367 3.833 0 40 CHAB O=C1NC2(CCCCC2)N=C1c1ccc(Cl)c(Cl)c1 4891139 LVMYHLQZIOWNIC-UHFFFAOYSA-N 297.185 3.573 0 40 CHAB CC[C@@H]1CN(C(=O)c2ccoc2)CC[C@@H]1c1ccccc1 80451531 KTNIWYCSNYMVNY-PBHICJAKSA-N 283.371 3.936 0 40 CHAB O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1C1CC1 17197964 SHRKBROVTDGOQA-LBPRGKRZSA-N 288.199 3.730 0 40 CHAB c1coc(CN(Cc2nccs2)C2CCCC2)c1 84432600 WWGMHPPUEZLORR-UHFFFAOYSA-N 262.378 3.681 0 40 CHAB O=C(Nn1cccc1)c1ccc(Oc2ccccc2)cc1 75107542 IHIIAMVQFWSFLW-UHFFFAOYSA-N 278.311 3.664 0 40 CHAB Cc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1F 33028098 XERHNHUEMSLNHL-NSHDSACASA-N 276.138 3.657 0 40 CHAB CN1CCC[C@@H]1c1cccnc1Nc1ccccc1 72214123 CIIHZEFUUKFYLH-OAHLLOKOSA-N 253.349 3.592 0 40 CHAB Cc1cc([C@H]2CCCN2C(C)C)cnc1N1CCCCC1 72219160 CATOTQZNNYHYRF-QGZVFWFLSA-N 287.451 3.926 0 40 CHAB COC(=O)c1ccc(CNc2cccc(C(F)(F)F)c2)o1 34994004 RBVWIGKCABRNRQ-UHFFFAOYSA-N 299.248 3.697 0 40 CHAB Cc1nn(C)c2c(Nc3cccc(F)c3)nc(C(C)C)nc12 32651335 YTJQXQVWTBDAIY-UHFFFAOYSA-N 299.353 3.678 0 40 CHAB O=C(O)c1conc1-c1cccc(Oc2ccccc2)c1 226099796 NFVIWBBZBAZOCS-UHFFFAOYSA-N 281.267 3.832 0 40 CHAB Clc1snnc1CN1CCC[C@H]1c1ccsc1 46088967 LHLAQNMNIIHOFF-JTQLQIEISA-N 285.825 3.590 0 40 CHAB CSc1ccc(NC(=O)N2CCCCCC2)cc1 40526838 APYJHTDWHIRKJF-UHFFFAOYSA-N 264.394 3.816 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)NCCSC1CCCC1 222701760 ULCNLKGFDLORLM-JXMROGBWSA-N 293.407 3.631 0 40 CHAB CCCCNC(=O)c1ccc(OC)c(COCCCC)c1 224433239 YEAGXQDSCTWQLQ-UHFFFAOYSA-N 293.407 3.542 0 40 CHAB Nc1cc(Nc2ccccc2)nc(-c2ccc(F)cc2)n1 49467911 WCLXXUMOLQEHOJ-UHFFFAOYSA-N 280.306 3.609 0 40 CHAB COC(=O)c1ccc(C(=O)c2ccc(C(C)(C)C)cc2)o1 85394297 OKWTXNFDHNGPCR-UHFFFAOYSA-N 286.327 3.595 0 40 CHAB CC[C@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)cc1 225601128 LQJPBAOAERGEQF-KRWDZBQOSA-N 291.391 3.762 0 40 CHAB COCCN(C)C(=O)Nc1sc2ccccc2c1Cl 96406758 VTNVGFQKNOQYEF-UHFFFAOYSA-N 298.795 3.665 0 40 CHAB CC(C)NC(=O)c1ccc(Oc2ccccc2Cl)o1 96183842 WNOJNNDNCLICHC-UHFFFAOYSA-N 279.723 3.864 0 40 CHAB CNc1cc([C@H]2CCCN2Cc2ccsc2)ccn1 257253150 JXTUTLFCFLPFEM-CQSZACIVSA-N 273.405 3.522 0 40 CHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCCCN2)n1 257198180 VIZIJJRTANUBII-CYBMUJFWSA-N 287.338 3.531 0 40 CHAB CCCCCOc1ccc(Cl)cc1CN1CCOCC1 20029534 BPYAHHHZIHWFIY-UHFFFAOYSA-N 297.826 3.741 0 40 CHAB Cc1cc(C(=O)c2ccc(N(C)C)cc2)ccc1Cl 95916534 ZESXVFMMHOXLOD-UHFFFAOYSA-N 273.763 3.945 0 40 CHAB O=C(CCc1ccccc1)N[C@H]1CCc2c(F)cccc21 55681997 RXVHWGZNSAAGIK-KRWDZBQOSA-N 283.346 3.562 0 40 CHAB COc1ccc(C(=O)Sc2ncnc3ccccc23)cc1 5720462 DWPLPDWWBDWFEP-UHFFFAOYSA-N 296.351 3.571 0 40 CHAB O[C@]1(c2ccccc2)CCCc2ccc(Cl)cc21 5742950 GTWYBDFYNDNKGW-INIZCTEOSA-N 258.748 3.912 0 40 CHAB CC(=O)c1oc2nc(-c3ccccc3)cc(C)c2c1N 13001649 XBNJPNOUZLZXCM-UHFFFAOYSA-N 266.300 3.588 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1 15471927 RBBNHULNVVXSJK-ZDUSSCGKSA-N 299.370 3.585 0 40 CHAB CC[C@@H](N)c1cc(C(F)(F)F)ccc1Br 19971859 LBEHEZIHAOWKOM-SECBINFHSA-N 282.103 3.878 0 40 CHAB Cc1cc(C)c(OCc2nc(C)cc(Cl)n2)c(C)c1 163686036 DRPQDGIDAPIDFR-UHFFFAOYSA-N 276.767 3.943 0 40 CHAB COc1ccc([C@@H]2CCCCN(C(=O)CC3CC3)C2)cc1 208004310 CHBQZVVJNBNTHI-MRXNPFEDSA-N 287.403 3.591 0 40 CHAB CC[C@@H](C)NC(=O)Nc1ccc(Br)c(C)c1 36395941 LIVGIFNOGGMYJU-SECBINFHSA-N 285.185 3.678 0 40 CHAB Cc1cc(C)c(NC(=O)C2[C@@H]3[C@@H]4CC[C@H](C4)[C@@H]23)c(C)c1 100079487 DUIWOWWTTVTZGJ-KBUPBQIOSA-N 269.388 3.842 0 40 CHAB CCn1cc(NC(=O)NCc2ccco2)c2ccccc21 5266065 PLPUDXOEBGCIFY-UHFFFAOYSA-N 283.331 3.576 0 40 CHAB CC[C@H](C)C(=O)c1cc(C(F)(F)F)ccc1OC 575360458 HMIUFFLFUHEJCD-QMMMGPOBSA-N 260.255 3.943 0 40 CHAB CCCCCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 8738817 HJRBKEBLEPJMIH-UHFFFAOYSA-N 276.405 3.596 0 40 CHAB CCCOCc1ccc(CP(=O)(OCC)OCC)o1 2342007 GFHGHFZMHZIYGP-UHFFFAOYSA-N 290.296 3.972 0 40 CHAB CC(C)Oc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 40122331 YEQFJKWFRLYQBY-CYBMUJFWSA-N 259.349 3.769 0 40 CHAB CCOC(=O)c1ccc(Nc2ncnc3ccccc23)cc1 118599 JJDXSVKAZGKZPV-UHFFFAOYSA-N 293.326 3.550 0 40 CHAB Cc1ccccc1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102324059 SDDHDXWQRZMEKY-ORIJERBGSA-N 257.377 3.550 0 40 CHAB COc1cc2sc(NC(=O)C(C)C)nc2cc1Cl 557496 FIDJELYVKCIAIW-UHFFFAOYSA-N 284.768 3.553 0 40 CHAB Cc1ccc(Nc2nc(-c3cccnc3)cs2)nc1 813409 NKSSHWUIUZWPMR-UHFFFAOYSA-N 268.345 3.652 0 40 CHAB CC(C)OC(=O)Nc1cc(F)cc(C(F)(F)F)c1F 1682763 ZJZPAOXLFNEVKZ-UHFFFAOYSA-N 283.196 3.941 0 40 CHAB COc1ccc2c3c(ccc2c1)[C@H]1CC(=O)C[C@@H]1CC3 1701623 HBBSTQBIUPTJSZ-VOJFVSQTSA-N 266.340 3.857 0 40 CHAB O=c1cc(Cl)c2ccccc2n1-c1ccccc1 586602 LQQXNEIPXXGEJN-UHFFFAOYSA-N 255.704 3.644 0 40 CHAB O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2ccccc12 53846162 GLVPJNASVNOLAK-UHFFFAOYSA-N 290.244 3.609 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C1 105626029 RSTTZEFIQUOSMC-ZIAGYGMSSA-N 289.762 3.576 0 40 CHAB Cc1cc(C(=O)c2ccc(C(C)(C)C)cc2)ccn1 45038532 UNQLYKFGBYSCES-UHFFFAOYSA-N 253.345 3.919 0 40 CHAB CCNc1nc(-c2ccc(NC(=O)CC)cc2)cs1 3392792 IWGSYFVGXRBKNT-UHFFFAOYSA-N 275.377 3.590 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 28210570 AITCSUJXGINGCQ-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB COc1ccc(CNC(=O)c2cc3ccccc3s2)cc1 12890447 HPZXEUZQYVKKCY-UHFFFAOYSA-N 297.379 3.840 0 40 CHAB CN(C(=O)/C=C/c1ccco1)c1nc2ccccc2s1 12914550 VMLBEFHUGYILLT-CMDGGOBGSA-N 284.340 3.566 0 40 CHAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2)cc1 13132344 GKFVKVSTVJKHMZ-IRXDYDNUSA-N 290.370 3.733 0 40 CHAB Clc1ccc(Nc2nnc3ccc(Cl)cn23)cc1 8717023 RDCAVZIEASYXBF-UHFFFAOYSA-N 279.130 3.780 0 40 CHAB Cc1ccc(NC(=O)Cc2noc3c(C)cccc23)c(C)c1 4667879 PZHOQFQTTALFIJ-UHFFFAOYSA-N 294.354 3.934 0 40 CHAB Cc1ccc2nc(O)c(CNC3CCCCC3)cc2c1 9424270 GXYYOVFUIVCZJR-UHFFFAOYSA-N 270.376 3.671 0 40 CHAB Cc1ccc(-c2nc(CNC(=O)CC(C)C)cs2)cc1 15832569 OPCWNLKUHPQCKR-UHFFFAOYSA-N 288.416 3.781 0 40 CHAB CCCNC(=O)c1sc(-c2ccc(CC)cc2)nc1C 16639814 UQYJXHXLBVTBKR-UHFFFAOYSA-N 288.416 3.821 0 40 CHAB Cc1csc([C@@H](N[C@@H](C)CC2CC2)C2CC2)n1 95423328 MWANTBSXULGPNE-ZANVPECISA-N 250.411 3.681 0 40 CHAB CCO[C@@H]1C[C@@H](N[C@@H](c2nccs2)C2CC2)C12CCC2 95987960 PGEDMXQKTUGDRT-MGPQQGTHSA-N 292.448 3.532 0 40 CHAB Cc1cccc(NCc2ccc(Oc3cnccn3)cc2)n1 89688957 RWAFQUNNSPRMFD-UHFFFAOYSA-N 292.342 3.584 0 40 CHAB CCOC(=O)c1c(N)sc2c1[C@@]1(C)CC[C@@H]2C1(C)C 35572280 QDFQSMRKTKDQKA-VXJOIVPMSA-N 279.405 3.682 0 40 CHAB OC1(C(F)(F)n2ccnc2-c2ccccc2)CCCCC1 38352708 JJRSUELULYISKJ-UHFFFAOYSA-N 292.329 3.795 0 40 CHAB CC(C)Sc1ccc([C@@H]2CCCCN2C)cn1 72217495 QGUAIHZMVMVIPM-ZDUSSCGKSA-N 250.411 3.739 0 40 CHAB Cc1cc(O)ncc1[C@@H]1CCCCN1Cc1ccccc1 72218166 YXVBGJNEEKPYSG-KRWDZBQOSA-N 282.387 3.823 0 40 CHAB Cc1c(N)cccc1[C@@H](O)c1ccc2c3c(cccc13)CC2 226295766 ASDKZTANJSOSAS-HXUWFJFHSA-N 289.378 3.911 0 40 CHAB C[C@H](c1ncc(C(C)(C)C)o1)n1ccc(C(F)(F)F)n1 89126376 LSTOAAPODWYRNE-MRVPVSSYSA-N 287.285 3.797 0 40 CHAB CCNc1ccc(NC(=O)c2ccco2)c(Cl)c1 226285474 WBQIKNZXQSBERD-UHFFFAOYSA-N 264.712 3.617 0 40 CHAB CC1(C)COc2ccc(C(=O)Nc3ccccc3)cc2OC1 225358692 AVRQQQYJYSLBMK-UHFFFAOYSA-N 297.354 3.736 0 40 CHAB O=C(NCCc1ccsc1)c1ccc(-n2cccc2)cc1 49511778 HEABFDLGJYCSKI-UHFFFAOYSA-N 296.395 3.511 0 40 CHAB Cc1nc(Cl)c(Br)c2c1CCCC2 225739155 SLFJPYHDOTVYBB-UHFFFAOYSA-N 260.562 3.685 0 40 CHAB Cc1ccc(CCCNC(=S)Nc2ncccc2C)cc1 225389847 QHIMEYFNKFKBPR-UHFFFAOYSA-N 299.443 3.618 0 40 CHAB COc1cc(C=O)cc2c1N(C(C)C)C(C)(C)C=C2C 223181045 SBTQWYGJXPQHKH-UHFFFAOYSA-N 273.376 3.918 0 40 CHAB CCOc1cccc(NC(=O)Cc2ccc(OC)c(C)c2)c1 225369105 GKHOTLJTNIYGBH-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB Cc1cccc(NC(=O)CCNc2ccccc2C)c1 41779435 CTTJWPYEHDWQDY-UHFFFAOYSA-N 268.360 3.744 0 40 CHAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)C(C)C 225230797 QLAJLUHWVVNCJQ-SWLSCSKDSA-N 297.826 3.967 0 40 CHAB Clc1ccc2c(c1)OC[C@H](c1ccc3c(c1)OCO3)N2 96531236 PUNXFSYDTCGGBO-GFCCVEGCSA-N 289.718 3.614 0 40 CHAB CC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(C)cc1 95420949 MBHZJBASIYFSNG-GOSISDBHSA-N 296.414 3.596 0 40 CHAB COc1ccc2cc(I)sc2c1 95938123 DOSIHRTURIDCQK-UHFFFAOYSA-N 290.125 3.515 0 40 CHAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](C1CCCCC1)OC2(C)C 257300243 RTPJGIHWAXFLSY-SLZITWOASA-N 266.425 3.767 0 40 CHAB C[C@]12CC[C@@H]3C(=CC=C4C[C@H](O)CC[C@]43C)[C@@H]1CCC2=O 263606036 QKVSSSWYCZWEQM-OYMYKWPDSA-N 286.415 3.799 0 40 CHAB CCOc1ccc(C(=O)c2cc(C)cc(F)c2)cc1 89064275 ZODICMGXIVQWKE-UHFFFAOYSA-N 258.292 3.764 0 40 CHAB C[C@H](NC(=O)N(C)Cc1ccco1)c1ccc(Cl)s1 44970081 MMBUCKHRNFOADO-VIFPVBQESA-N 298.795 3.897 0 40 CHAB Fc1ccc2ncnc(N3CCC(C(F)(F)F)CC3)c2c1 78558689 PCPHLRLUIJDFLS-UHFFFAOYSA-N 299.271 3.548 0 40 CHAB CC(C)(OC(=O)c1ccccc1O)C(Cl)(Cl)Cl 16322631 JMBYJYPJYHTGKC-UHFFFAOYSA-N 297.565 3.698 0 40 CHAB Cc1ccccc1/C=C1/N=C(c2ccccc2C)OC1=O 315636 OHDGENFZDYUWQD-LFIBNONCSA-N 277.323 3.648 0 40 CHAB CC(C)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 20536022 MPGGCXQZIQIAGV-QMMMGPOBSA-N 275.179 3.762 0 40 CHAB CN(Cc1ccsc1)C(=O)CCc1c[nH]c2ccccc12 12552866 HQWVSKLUANOJDZ-UHFFFAOYSA-N 298.411 3.821 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(F)cc1 14013259 GAZQTJFEAUVPCS-INIZCTEOSA-N 287.334 3.930 0 40 CHAB CCC(=O)Nc1ccc(-c2c(C)noc2C)c(C)c1 19865151 IBXHPDUCBYZVCV-UHFFFAOYSA-N 258.321 3.615 0 40 CHAB C[C@H](NCC[C@H](C)[S@](C)=O)c1cc2ccccc2s1 252585097 GDCSINLGACWXJI-ZKTNFTSUSA-N 295.473 3.709 0 40 CHAB O=C(Nc1ccc2sncc2c1)c1cccs1 188224880 SJLFGAAZPFKTBT-UHFFFAOYSA-N 260.343 3.610 0 40 CHAB Fc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 4271868 WMHCKLDKYZTRGM-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB O=C(Cc1cccs1)c1ccc(OC(F)F)cc1 38126022 FRPYSOKZQUQYQO-UHFFFAOYSA-N 268.284 3.775 0 40 CHAB O=C(Nc1cccnc1)N1CCC(Cc2ccccc2)CC1 24535532 QBMKHTVPTQKJQE-UHFFFAOYSA-N 295.386 3.568 0 40 CHAB Cc1noc([C@H](C)Sc2ccc(C(F)(F)F)cn2)n1 40051858 LSVZIARQMVSMAZ-LURJTMIESA-N 289.282 3.645 0 40 CHAB Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)s1 20123161 CVRHOUDUEACLQT-OAHLLOKOSA-N 290.432 3.576 0 40 CHAB COc1ncccc1-c1ccc(-c2csc(N)n2)s1 32516094 WMKZUUFTSPHGEJ-UHFFFAOYSA-N 289.385 3.524 0 40 CHAB O=C(O)C[C@H](CCc1ccccc1)c1ccccc1 338893 KADKHVAFGMMXGM-INIZCTEOSA-N 254.329 3.878 0 40 CHAB Cc1cccc(NC(=O)c2sc(Cl)nc2C)c1C 385220 XEUIWBSESACMMV-UHFFFAOYSA-N 280.780 3.974 0 40 CHAB Cc1nc(-c2ccc(NC(=O)CCc3ccco3)cc2)co1 32776583 DEXBIYXDORLEAZ-UHFFFAOYSA-N 296.326 3.814 0 40 CHAB Cc1cc(C)c(C(=O)Nc2nnc(C(C)C)s2)c(C)c1 112261 UJLMXIDGXHKPJX-UHFFFAOYSA-N 289.404 3.839 0 40 CHAB O=C(NCC1(c2ccccc2)CCCC1)c1ccco1 174640 RMKLKVBHIHPRSH-UHFFFAOYSA-N 269.344 3.521 0 40 CHAB O=C(Nc1ccccc1)N1[C@H]2CCc3ccccc3[C@@H]21 1708275 DILHHYVHNYYOIG-NRAVZPKASA-N 264.328 3.590 0 40 CHAB C/C=C/C=C/C(=O)Nc1cc(NC(=O)C(C)C)ccc1C 46615715 NRAJAWGLGOPGBX-BSWSSELBSA-N 286.375 3.660 0 40 CHAB Cc1cc(C)c2[nH]c(=O)c(CN[C@H]3CCCC[C@H]3C)cc2c1 4130498 MOVBEKVSGZJPOK-DYVFJYSZSA-N 298.430 3.813 0 40 CHAB Cc1nc2ccc(NC(=S)NC(C)(C)C)cc2s1 54922919 PBOQKRXNQGZIJU-UHFFFAOYSA-N 279.434 3.690 0 40 CHAB O=C(N1Cc2ccccc2-c2ccccc2C1)C(F)(F)F 507467 NVIJAMCTKLIYQK-UHFFFAOYSA-N 291.272 3.758 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1ccc(Cl)cc1 2755951 WQRQTUBFEPBZKZ-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB Nc1ccc2nc(SCc3cccnc3)sc2c1 42141722 NRSJUGROITVZMV-UHFFFAOYSA-N 273.386 3.566 0 40 CHAB Cc1cc(C)cc(-c2nnc3sc(-c4ccco4)nn23)c1 1018233 HIKXRLRLEHAAOI-UHFFFAOYSA-N 296.355 3.730 0 40 CHAB C[C@H]1CCc2sc3nc(-c4ccccc4)[nH]c(=O)c3c2C1 1021648 DIBARRHRXMPWSM-JTQLQIEISA-N 296.395 3.776 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1F 12552895 RKZKVRVMNPHKLL-MRXNPFEDSA-N 284.334 3.506 0 40 CHAB CC(=O)[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C 103212166 YOZCVQKUWBRLMA-SLBVQIDZSA-N 282.424 3.852 0 40 CHAB CCc1ccc(C(=O)CNc2ccc(C(C)=O)cc2)cc1 27525451 RGBUKXWSMCEPQM-UHFFFAOYSA-N 281.355 3.746 0 40 CHAB OC(c1ccc(F)cc1)(c1ccc(F)cc1)C(F)(F)F 1569426 FLLLTDUIYQQQQP-UHFFFAOYSA-N 288.215 3.763 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101489391 GITAKVTZYVRZDB-TZDHZFECSA-N 287.403 3.640 0 40 CHAB Cc1ccc(N2C(=O)[C@@H]3CC[C@@](C)(C2=O)C3(C)C)c(C)c1 100286007 MNLBANLVYHVZKB-UGSOOPFHSA-N 285.387 3.619 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)c2ccc(C)nc2)cc1 27165338 HXGMWPLVAWIGSQ-GFCCVEGCSA-N 286.400 3.603 0 40 CHAB CC(C)(C)C1CCC(OC(=O)c2ccncc2)CC1 3310430 KBOBEDQCTCVBAO-UHFFFAOYSA-N 261.365 3.843 0 40 CHAB Cc1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 10037496 IAUADTMRQKHHOV-UHFFFAOYSA-N 297.383 3.926 0 40 CHAB O=C(O)CCCNCc1ccc(-c2cccc(Cl)c2)o1 62718011 MRLSDVRSNPMGMA-UHFFFAOYSA-N 293.750 3.554 0 40 CHAB c1ccc(-c2noc(CSc3nccn3C3CC3)n2)cc1 29074980 MWRUDNWOIHBYJI-UHFFFAOYSA-N 298.371 3.560 0 40 CHAB CCCCCc1ccc(C(=O)CCC(=O)OCC)cc1 2580377 RILMNOLQUNDRCN-UHFFFAOYSA-N 276.376 3.945 0 40 CHAB O=C(NCCc1ccsc1)c1c(F)cccc1Cl 13698218 GMXRPFAFILRDJP-UHFFFAOYSA-N 283.755 3.513 0 40 CHAB CC(=O)Nc1ccc(CN[C@@H](C)c2ccccc2C)cc1 14168492 DRIPMRJSCSTJNN-AWEZNQCLSA-N 282.387 3.804 0 40 CHAB CCCC(CCC)C(=O)Nc1cccc([C@@H](C)O)c1 8714207 RFJRHQLJDWZEKM-GFCCVEGCSA-N 263.381 3.895 0 40 CHAB CC(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 14201950 DZOKHJLSFKOOIC-PBFPGSCMSA-N 274.408 3.559 0 40 CHAB O=C1[C@H](c2ccccc2)C=Nc2c(-c3ccccc3)cnn21 4673500 NNQGEFHNISOBMM-INIZCTEOSA-N 287.322 3.690 0 40 CHAB COc1ccc(NC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 5560298 WBKVRCSZKOFTIY-YWPYICTPSA-N 292.448 3.806 0 40 CHAB COc1cc(CNc2ccccc2Cl)ccc1O 4740056 TURXVRHBFFCWGN-UHFFFAOYSA-N 263.724 3.666 0 40 CHAB CCOc1ccc(C(=O)/C=C/c2cc(C#N)n(C)c2C)cc1 15513899 WMSXWBBUJCRAPU-JXMROGBWSA-N 294.354 3.500 0 40 CHAB CC[C@H]1CN(C(=O)c2ccoc2)CC[C@H]1c1ccccc1 80451548 KTNIWYCSNYMVNY-WMLDXEAASA-N 283.371 3.936 0 40 CHAB C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 8168263 HYWLIHCYWDZODF-CQSZACIVSA-N 292.382 3.630 0 40 CHAB c1ccc(-c2cnc(COc3ccc4c(c3)OCO4)o2)cc1 9484652 BGJOEBZFHIDMCV-UHFFFAOYSA-N 295.294 3.649 0 40 CHAB CCCCN1C(=O)c2ccccc2[C@H]1NCCC(C)C 9730992 SAHDIDPLTPXPDL-INIZCTEOSA-N 274.408 3.577 0 40 CHAB CCc1noc([C@@H](C)Sc2ncc(C(C)(C)C)o2)n1 95416501 ZZHBEQPEAFYCTA-MRVPVSSYSA-N 281.381 3.771 0 40 CHAB CCc1cc2c(N[C@@H](C)c3ncc(C)o3)ncnc2s1 95994850 GFALGPPQRWNGHT-VIFPVBQESA-N 288.376 3.723 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)NCc1ccccc1F 32924111 MEBFGGGOIUGDGM-UHFFFAOYSA-N 292.379 3.644 0 40 CHAB C[C@@H]1[C@@H](c2ccccc2)O[C@H](c2ccccc2)N1C 33645359 UYHFNMAZLZQLFT-XOKHGSTOSA-N 253.345 3.777 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2c(C)cc(C)cc2N)c1 70462899 HWXNPAINFFTYQD-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](Sc2ccccn2)C1 71257496 GPNFYXYTEJVSDQ-LBPRGKRZSA-N 294.420 3.573 0 40 CHAB O=C(O)c1c(-c2ccccc2)coc1C(F)(F)F 75696199 DJVUWVMXVOXYTK-UHFFFAOYSA-N 256.179 3.664 0 40 CHAB Cn1ccc2cc(C(=O)Nc3ccc4[nH]ccc4c3)ccc21 40310354 DKYZVDQPYVVJDY-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic CCSc1ccc([C@H](O)c2cccs2)cc1 83139920 JPPBIJWVIAXTSN-ZDUSSCGKSA-N 250.388 3.942 0 40 CHAB C[C@H]1CCCC[C@@H]1N1CCN(C[C@@H]2CC=CCC2)CC1 224082084 ADQAWJJCVOTDOE-KSZLIROESA-N 276.468 3.539 0 40 CHAB Cc1ccc([C@@H]2CSCCN2C(=O)c2cccs2)o1 81347749 ZEIDFZHKLFIBKV-NSHDSACASA-N 293.413 3.580 0 40 CHAB CC[C@@H](C(=O)O)N1c2ccc(F)cc2C(C)=CC1(C)C 223196830 ANCKKHQMAUROJO-ZDUSSCGKSA-N 277.339 3.691 0 40 CHAB C[C@H]1CC(C)(C)N(C(C)(C)C(=O)O)c2ccc(F)cc21 223205072 DAUPAPPYXRODAK-JTQLQIEISA-N 279.355 3.781 0 40 CHAB FC(F)(F)c1cnc(-c2ccncc2)c(Cl)c1 47212651 BAEOPRBJOZQNQF-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB COc1ccccc1CNC(=O)c1cc(C)c(C)cc1C 225640353 YFXPEWQXFPXRMS-UHFFFAOYSA-N 283.371 3.550 0 40 CHAB OCc1cccc(NCc2cccc(-c3ccncc3)c2)c1 225567345 YBVQUPAQKBUHHL-UHFFFAOYSA-N 290.366 3.853 0 40 CHAB O=C1C[C@H]2c3ccccc3C(=O)C[C@H]2c2ccccc21 140446996 QXNOHQMRONMROP-HOTGVXAUSA-N 262.308 3.727 0 40 CHAB COC(=O)CCCC(=O)c1cc(Cl)cc(Cl)c1 95729471 HACNHCFQJSUDTR-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB O=C(O)c1cc(Cl)nc2c(C(F)(F)F)cccc12 96509618 NCIJMCJRZCKGHL-UHFFFAOYSA-N 275.613 3.605 0 40 CHAB CCc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260658738 ARJPJMAJTBEQAE-KCQAQPDRSA-N 274.433 3.724 0 40 CHAB Cc1cc2c(cc1C)N([C@H](C)C(=O)O)C(C)(C)C[C@@H]2C 260612816 BCORGBKIZUXZMR-QWHCGFSZSA-N 275.392 3.869 0 40 CHAB CCCN(CC)c1ccc(Br)c(F)c1 95915918 UNRMJTUICSZTJT-UHFFFAOYSA-N 260.150 3.825 0 40 CHAB CC(C)c1ncc(CN(C)[C@@H](C)c2ccncc2)s1 97113695 JNMFABWGAJWBRV-LBPRGKRZSA-N 275.421 3.855 0 40 CHAB COc1ccccc1NC(=O)Nc1ccc(C)cc1 6212947 WNWAOEJWPGIODL-UHFFFAOYSA-N 256.305 3.648 0 40 CHAB CC1(C)[C@@H](OC(=O)c2ccccc2N)[C@@]2(C)CC[C@@H]1C2 5495392 WSROWZALSNALOL-JGFGOQIWSA-N 273.376 3.640 0 40 CHAB CCN(CC)CCC[C@@H](C)Nc1nncc2ccccc12 16951698 WWBCBSGACMLEBM-CQSZACIVSA-N 286.423 3.552 0 40 CHAB O=C(O)[C@@H](Cc1cccc2ccccc12)C[C@H]1CCCO1 6118658 VEJYFDMNWGFBCT-JKSUJKDBSA-N 284.355 3.652 0 40 CHAB in-vitro Cc1cccc(CN[C@H]2CCSc3ccc(F)cc32)n1 95420618 YKPCQICAMBOADA-HNNXBMFYSA-N 288.391 3.856 0 40 CHAB Cc1cc(F)ccc1NC(=O)NC1CCC(C)CC1 40103559 LILHWYOVTVYAOM-UHFFFAOYSA-N 264.344 3.834 0 40 CHAB Oc1ccc(/C=C/CC[C@H](O)CCc2ccc(O)cc2)cc1 31168435 HLWUXTFOZZSNLD-DUXHTMCSSA-N 298.382 3.885 0 40 CHAB biogenic,in-vitro c1ccc2c([C@H]3NCCc4c3[nH]c3ccccc43)c[nH]c2c1 20757826 ZWNGOYWZUZEHQG-GOSISDBHSA-N 287.366 3.884 0 40 CHAB biogenic Cc1cnc(NC(=O)c2ccc3nc(C)sc3c2)s1 20728133 ULKWQVHUIFLICN-UHFFFAOYSA-N 289.385 3.622 0 40 CHAB Cc1ccc(NC(=O)Nc2cccnc2Cl)cc1 137510 DVBXYEXEFMLARA-UHFFFAOYSA-N 261.712 3.687 0 40 CHAB CC(C)(C)OC(=O)Nc1ccncc1C(=O)c1ccccc1 482084 GVXHORLRORKSRV-UHFFFAOYSA-N 298.342 3.660 0 40 CHAB CCOC(=O)[C@]1(F)CC1(c1ccccc1)c1ccccc1 4934338 ZLAGSCNFMNZRJL-GOSISDBHSA-N 284.330 3.648 0 40 CHAB Cc1cccc(CNC(=O)CSCc2ccccc2)c1 10447476 IUOVOXGCIDGCHX-UHFFFAOYSA-N 285.412 3.545 0 40 CHAB Nc1cc(C(F)(F)F)ccc1OC1CCCCC1 8702530 ISQHPNKBKURSLU-UHFFFAOYSA-N 259.271 3.999 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCCCCC1 579736 GFWUGTLTVKTZJA-LBPRGKRZSA-N 295.810 3.946 0 40 CHAB CC(C)Cn1ncnc1CN[C@@H](C)c1cc2ccccc2o1 97111321 LAMSYKPRLCFTTC-ZDUSSCGKSA-N 298.390 3.531 0 40 CHAB CCCCn1cnc2c(Cl)cc(Cl)cc2c1=O 58612022 LUSQMRBEJOJULY-UHFFFAOYSA-N 271.147 3.503 0 40 CHAB Cc1cc2cc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)ccc2[nH]1 105572341 BVNFJECAQANATP-HUBLWGQQSA-N 268.360 3.851 0 40 CHAB CCOc1ncccc1NC(=O)c1ccc(Cl)cc1F 27515420 REBBOPDYQSHDGM-UHFFFAOYSA-N 294.713 3.525 0 40 CHAB CN(C)C(=O)c1cc(Cl)ccc1OCc1ccccc1 7687445 JCPUZIYUFBDPOH-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB O=C1/C(=C\c2cccs2)N=C(S)N1C1CCCCC1 2534822 YRFYARPCJWKKSQ-FMIVXFBMSA-N 292.429 3.550 0 40 CHAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccco1 7741518 GXFUMFJNADZXNL-JTQLQIEISA-N 297.276 3.718 0 40 CHAB Cc1cc(C)cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1 3614552 JIYUKRNAJPKCNM-ZDUSSCGKSA-N 271.335 3.934 0 40 CHAB C[C@@H](OC(=O)c1ccccc1)C(=O)c1ccc2c(c1)CCC2 6065578 HZDYUIHRBFTSJY-CYBMUJFWSA-N 294.350 3.604 0 40 CHAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nccc3N2)cc1 4291318 CVFFHRZXJOMAKL-RYUDHWBXSA-N 297.280 3.552 0 40 CHAB C[C@H](SCc1cccc(F)c1F)C(=O)NC(C)(C)C 65589227 HQRNAHHAMRJUER-VIFPVBQESA-N 287.375 3.501 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccc(O)cc3)[C@@H]1[C@@H]2C 5375843 UVEZFZYRAYSXIF-PBXXMHPPSA-N 258.361 3.928 0 40 CHAB biogenic Cc1cccc(Cc2cnc(NC(=O)C3CCC3)s2)c1 5423058 GNFZLRYEMDQIEB-UHFFFAOYSA-N 286.400 3.781 0 40 CHAB c1ccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 67320865 DHVQYXNQJHNAJK-UHFFFAOYSA-N 291.310 3.616 0 40 CHAB O[C@@H](CSc1ccccn1)c1ccc(OC(F)F)cc1 84613285 LGGHHFOVYUUEEF-LBPRGKRZSA-N 297.326 3.509 0 40 CHAB CSc1cc(NC(C)=O)ccc1OCc1ccccc1 22051003 UXXSZZVZHGEQNZ-UHFFFAOYSA-N 287.384 3.946 0 40 CHAB in-vitro COc1cc(CN[C@@H]2C[C@H](c3ccccc3)C2(C)C)ccn1 96009151 DTYNBAGDRHLBMN-IAGOWNOFSA-N 296.414 3.762 0 40 CHAB Nc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 19767312 PHVSNVKKPITAPE-UHFFFAOYSA-N 265.341 3.798 0 40 CHAB Brc1ccc(SCOc2ccccc2)nc1 95460224 XFMIWHVRFSDIGY-UHFFFAOYSA-N 296.189 3.973 0 40 CHAB Cc1cc(NCCCn2nc(C)cc2C)c2ccccc2n1 89594193 ZSISFTNOCYCEPK-UHFFFAOYSA-N 294.402 3.859 0 40 CHAB CC(=O)c1cnc2c(-c3ccc(C)cc3)c(C)nn2c1C 22607350 ZRPNOHOFTDKVBE-UHFFFAOYSA-N 279.343 3.524 0 40 CHAB Cc1ccc(C(=S)NCc2ccc(F)cc2)cc1 408577132 RJDRHYALYLKQIA-UHFFFAOYSA-N 259.349 3.599 0 40 CHAB COc1cc(CCC(C)=O)ccc1OCc1ccccc1 39411703 BWALMJLAEWUHEY-UHFFFAOYSA-N 284.355 3.796 0 40 CHAB CC(C)N1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216041 KPLKULCAKVVYMX-MRXNPFEDSA-N 273.424 3.617 0 40 CHAB Cc1cc(-c2cnc(NC(C)C)nc2C(C)(C)C)on1 72341139 VEIYGOLJLQCLCC-UHFFFAOYSA-N 274.368 3.558 0 40 CHAB Cc1nc(CN2CCC[C@@H]2c2cccc(N(C)C)c2)oc1C 75838557 CPGGWOZPNQXDEW-QGZVFWFLSA-N 299.418 3.695 0 40 CHAB Clc1ccc(OCC[C@H]2CCCNC2)c2ncccc12 42771406 RZMOMANRSIVTTM-GFCCVEGCSA-N 290.794 3.657 0 40 CHAB CC(C)(C)c1ccc([C@H](NN)c2ccccc2)cc1 199534373 LLDNYTAOWKIHNY-MRXNPFEDSA-N 254.377 3.537 0 40 CHAB Cc1ccc(CCC(=O)NCC2=CCCCC2)cc1C 225099327 GXFCQSSPCNHVQB-UHFFFAOYSA-N 271.404 3.853 0 40 CHAB CCC(=O)Nc1c(C)cc(Br)cc1CC 226097901 FZXZPWXDFITTIB-UHFFFAOYSA-N 270.170 3.668 0 40 CHAB COc1cc2c(Br)ccnc2cc1Cl 85386357 BWQKDACWXJTHKH-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB O=C(NCCSC1CCCCC1)NC1CCCCC1 225754758 BALWMSUCTMOEOT-UHFFFAOYSA-N 284.469 3.684 0 40 CHAB Cc1c(Cl)cccc1C(=O)C1=C(C(=O)O)CCCC1 95634078 KLOJAPJLKOOWAN-UHFFFAOYSA-N 278.735 3.786 0 40 CHAB Cc1cc(NCc2cc(F)cc(F)c2)nn1CC(C)C 256052004 LLRFSBADBQNMLL-UHFFFAOYSA-N 279.334 3.738 0 40 CHAB CC[C@@H](Cl)C(=O)c1ccccc1C(F)(F)F 382721014 NKIZJVGWRWRJBK-SECBINFHSA-N 250.647 3.906 0 40 CHAB CC(C)Cc1c(O)nc2cccc(Br)c2c1O 685937453 VGUNUMLZQPLMHB-UHFFFAOYSA-N 296.164 3.607 0 40 CHAB Cc1cccc(OCCSc2nc(C)cs2)c1 47823236 LZCJTEKQOZCGQM-UHFFFAOYSA-N 265.403 3.931 0 40 CHAB C[C@@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCCC1 58017917 LAQSESNANADXLH-CZUORRHYSA-N 289.444 3.808 0 40 CHAB COc1ccc(Cl)cc1NC(=S)NC1CCCCC1 6145873 WQLGZJPKFZPNRK-UHFFFAOYSA-N 298.839 3.968 0 40 CHAB COc1ccc(C)c(NC(=O)Nc2ccc(C)cc2)c1 6426816 LIRYRICJBZPGDG-UHFFFAOYSA-N 270.332 3.956 0 40 CHAB COC(=O)c1cc(Cl)c2cc(Cl)c(Cl)cc2n1 26892272 IUORCKWAHAFGEX-UHFFFAOYSA-N 290.533 3.982 0 40 CHAB CCN(CC)CCN(CC)C(=O)Nc1cccc(Cl)c1 19074489 YNFKUKNLVPYKFG-UHFFFAOYSA-N 297.830 3.536 0 40 CHAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1 206762418 RUHTYWHOWAEDJD-PBWFPOADSA-N 295.835 3.839 0 40 CHAB CCC[C@@H](C)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5753645 WALXKQHXVUHGFO-QLFDAEIZSA-N 292.419 3.751 0 40 CHAB CCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(Cl)c1 32795119 UGGBRVZKTIFJEN-GHMZBOCLSA-N 268.788 3.889 0 40 CHAB O=C(c1ccccc1)[C@@H](CN1CCCC1)c1ccccc1 436613 RKMMNJJFYFRSOY-SFHVURJKSA-N 279.383 3.749 0 40 CHAB CCNCc1ccc(OC2CCCC2)c(OCC)c1 34815792 UYMMWXOYNLVTTN-UHFFFAOYSA-N 263.381 3.516 0 40 CHAB Cc1cccc(N2CCC[C@@H](c3nc(C)cs3)C2)n1 97096566 PHOFYLZJHOYOPQ-CYBMUJFWSA-N 273.405 3.539 0 40 CHAB COc1cc(CNC(C)C)ccc1OCCc1ccccc1 10436289 HMSLXHYSVKOCFG-UHFFFAOYSA-N 299.414 3.815 0 40 CHAB Clc1ccc([C@H]2C=C(c3ccco3)Nc3ncnn32)cc1 100835156 ZYJWKLNGDBIEEX-CYBMUJFWSA-N 298.733 3.581 0 40 CHAB O=C(Oc1ccccc1O)c1cccc2ccccc12 365254 ZVYNZOQFCLCEBZ-UHFFFAOYSA-N 264.280 3.765 0 40 CHAB COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1 187297 KUBDBBJWTNIOKB-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB CCC(=O)N(CC)c1nc(-c2ccc(C)cc2)cs1 932651 HQQDBDLDLYKEPD-UHFFFAOYSA-N 274.389 3.881 0 40 CHAB OCc1ccc(-c2cccc(Br)c2)cc1 1259356 GQUVUJWLEMABGD-UHFFFAOYSA-N 263.134 3.608 0 40 CHAB COC(=O)C1c2ccc(C)cc2-c2cc(C)ccc21 1600033 MMDPMNXPPWLTGH-UHFFFAOYSA-N 252.313 3.589 0 40 CHAB O=C(NCc1ccc(Cl)cc1Cl)C1CCCC1 3603131 NAZNNQDBHLRJQF-UHFFFAOYSA-N 272.175 3.800 0 40 CHAB COc1ccc([C@H]2OCCC3(CCCCC3)O2)cc1 4844167 FOWCOJSCFPMEBD-HNNXBMFYSA-N 262.349 3.834 0 40 CHAB O=C(Nc1ccccc1)[C@H]1C[C@@H]1Cc1ccccc1 478216 FBUQLYZARVFVHQ-HOCLYGCPSA-N 251.329 3.504 0 40 CHAB O=C(CCc1ccsc1)Nc1cccc(Cl)c1 21887643 ZJPQHIHDHFCNCX-UHFFFAOYSA-N 265.765 3.973 0 40 CHAB O=C(O)CC1(CC(=O)Nc2ccccc2Cl)CCCC1 520398 ZRUUWTAMUMDZHF-UHFFFAOYSA-N 295.766 3.704 0 40 CHAB CNCc1ccc(-c2cccc(Cl)c2Cl)o1 20158521 VNRZMBUVBJECRP-UHFFFAOYSA-N 256.132 3.973 0 40 CHAB COc1cc(C)c(NC(=O)Cc2ccc(C)cc2)cc1OC 12766835 CKPBRMDXCCWETQ-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB O=C(NCc1ccco1)c1cc2c(s1)CCCCCC2 12777574 PJAMRBMTGPHYGB-UHFFFAOYSA-N 289.400 3.930 0 40 CHAB O=C(Nc1ccccc1)c1cc(-c2cccs2)on1 12850000 JHCCHRHIPYIWQL-UHFFFAOYSA-N 270.313 3.655 0 40 CHAB CC(C)(C)c1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1 11631650 LNGJBKJIVNQKLK-UHFFFAOYSA-N 296.366 3.986 0 40 CHAB COC(=O)c1cc(Cl)c(Br)c(Cl)c1 45919825 OLCZJLAQCXIXNW-UHFFFAOYSA-N 283.936 3.543 0 40 CHAB in-vitro O=C(NCc1cccc(Cl)c1)c1cccc(Cl)c1 3444977 RUZSOXAWXVVSDW-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCCCC1 20051042 JQZRUKJYCFVSPM-HNNXBMFYSA-N 295.810 3.946 0 40 CHAB Cc1ccc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 17920557 CNMARLPEDMIHIJ-OKILXGFUSA-N 277.433 3.877 0 40 CHAB Cc1cc(C)c(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)c(C)c1 18102436 WGLNNOJWSJRDPR-GASCZTMLSA-N 295.448 3.563 0 40 CHAB CCCCCC(=O)NC(=S)Nc1cccc(C)c1C 7445836 GSTWBRKNFAUBOQ-UHFFFAOYSA-N 278.421 3.697 0 40 CHAB COCc1ccc(C(=O)Nc2ccccc2Cl)cc1 7476649 DRCQENPONOWQSY-UHFFFAOYSA-N 275.735 3.739 0 40 CHAB C[C@@H](CNC[C@H]1CCCO1)Oc1ccc(C(C)(C)C)cc1 19737907 SEYDLTAVGGJHPD-WMLDXEAASA-N 291.435 3.520 0 40 CHAB COc1ccccc1NC(=O)N[C@H](C)CCc1ccccc1 8264283 SRYADFATXDZKIH-CQSZACIVSA-N 298.386 3.838 0 40 CHAB C/C(=C\C(=O)N1CCC[C@H]1c1cc(C)on1)c1ccccc1 96400720 PIQIANOJMJYJOV-HVJHFUJKSA-N 296.370 3.750 0 40 CHAB Cc1ccc([C@H]2SCC(=O)N2c2ncc(C)s2)cc1 19926991 FJYPYCZAEGEDBR-CYBMUJFWSA-N 290.413 3.539 0 40 CHAB Cc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1 408926639 VLMQFTFZPRKMRT-UHFFFAOYSA-N 299.439 3.967 0 40 CHAB C[C@H]1CCc2ccccc2N1C(=O)OCC(F)(F)F 32628781 CFGKDPVZLWDZJW-VIFPVBQESA-N 273.254 3.527 0 40 CHAB Cc1cccc(CNC(=O)c2cc(C)ccc2C)c1 31107454 IUGRDAHPMYKTOE-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB CCN1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216633 NDGBCULDKIDPPN-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1Cl 72211506 LTYMNGXNGZAHPL-CQSZACIVSA-N 286.762 3.712 0 40 CHAB CCc1cccc(CC)c1NC(=S)N[C@H](C)CC 35082038 SVRARWXEFNZPMJ-LLVKDONJSA-N 264.438 3.896 0 40 CHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCCCC1 46463013 MESNLLMVUVATDD-UHFFFAOYSA-N 271.282 3.722 0 40 CHAB CC[C@@H](C(=O)OC)N1c2c(C)cccc2C(C)=CC1(C)C 223199041 JLRLCAGCKHZKDP-HNNXBMFYSA-N 287.403 3.949 0 40 CHAB CC[C@H](C)Oc1ccc([C@@H](C)NCCCOC)cc1 225170070 WOOPXKSILOWVOP-UONOGXRCSA-N 265.397 3.551 0 40 CHAB Cc1nc(C2(NCC[C@@H](C)c3ccccc3)CCC2)no1 194352783 RAACTERHELNGDC-CYBMUJFWSA-N 285.391 3.541 0 40 CHAB CCC(CC)NC(=S)Nc1cccc(OC(C)C)c1 225801565 BTFAJXRQENSSHW-UHFFFAOYSA-N 280.437 3.949 0 40 CHAB CSc1ccc(C(=O)c2ccc(F)cc2F)cc1 89065436 HMWKQASTYSNFLY-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB Cc1cccc(OCc2nc3ccccc3n2C)c1C 40389128 OKHLQLNCEHKMEG-UHFFFAOYSA-N 266.344 3.769 0 40 CHAB CC(C)(C)OC(=O)Nc1csc(-c2ccncc2)n1 95829280 SBWCFJQHZQVNBN-UHFFFAOYSA-N 277.349 3.552 0 40 CHAB CCc1ccc(Oc2nc(Cl)ncc2F)cc1 91654948 CAWZLVGRDKCGIU-UHFFFAOYSA-N 252.676 3.624 0 40 CHAB Cc1ccc2c(c1)Oc1nc3ccccc3nc1O2 17117786 MPGWPQCRTNNLSD-UHFFFAOYSA-N 250.257 3.836 0 40 CHAB O=C(c1ccccc1)N1CCS[C@H](c2ccco2)CC1 207006466 LEUDZYDDCMFHKT-HNNXBMFYSA-N 287.384 3.600 0 40 CHAB CC(C)CCN1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C 3901496 NRNKPUIJZXENIG-SOLBZPMBSA-N 275.436 3.651 0 40 CHAB Oc1cc(-c2ccccc2)nc(SCc2cccnc2)n1 17967178 IIUHYPSHQCDOLL-UHFFFAOYSA-N 295.367 3.537 0 40 CHAB Fc1ccc2nc(N3CC[C@H](c4ccccn4)C3)sc2c1 882308921 KNPIZKLSJQLGLE-NSHDSACASA-N 299.374 3.824 0 40 CHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc(F)cc(F)c1 40072634 PZJJVYBWBPYQLX-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB CCCCCC[C@H](C)NC1CCN(CCC)CC1 20306127 OHVNESDCJPUBIL-HNNXBMFYSA-N 254.462 3.809 0 40 CHAB Cc1c(C(=O)O)oc2c(Br)cc(Cl)cc12 11920438 ORWIALWRQZLXAE-UHFFFAOYSA-N 289.512 3.855 0 40 CHAB in-vitro COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 385234 OKNUSKDAQPWXTP-UHFFFAOYSA-N 295.260 3.966 0 40 CHAB C[C@H]1CC(=O)N(Cc2ccc(F)cc2)c2ccccc2N1 21793462 NHNPVMFNGOHCNJ-LBPRGKRZSA-N 284.334 3.563 0 40 CHAB CN(Cc1ccccc1F)c1nc2ccccc2o1 32905377 BNYSVQJUBRPJPG-UHFFFAOYSA-N 256.280 3.603 0 40 CHAB CCCCC[C@@H](C)NC(=S)Nc1ccc(OC)cc1 3328823 YNVQRYYPYJARHU-GFCCVEGCSA-N 280.437 3.950 0 40 CHAB CCOc1ccc2[nH]c(COc3cccc(C)c3)nc2c1 33327179 DZIGXKMFOCRYON-UHFFFAOYSA-N 282.343 3.849 0 40 CHAB Clc1ccc(CNCc2ccco2)c(Cl)c1 807671 CVFILWUATHTGTH-UHFFFAOYSA-N 256.132 3.876 0 40 CHAB CC[C@@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)C1 42145496 NDHSCGIHGZQIJT-NWDGAFQWSA-N 291.420 3.981 0 40 CHAB O=C(N/C=C/c1ccco1)OCc1ccc(Cl)cc1 1382450 GVAXUBWJONYDAP-BQYQJAHWSA-N 277.707 3.830 0 40 CHAB CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(Cl)c3)CC[C@@H]1C2 100868099 AYQHCBUMVMKAFK-HWPZZCPQSA-N 291.778 3.674 0 40 CHAB COc1ccccc1CN[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 106619862 VEZVUKMNJLQGAY-ORIJERBGSA-N 259.393 3.610 0 40 CHAB CN(Cc1ccc2c(c1)OCO2)c1nc2ccccc2s1 12819341 KEBVIMPDLGYJPP-UHFFFAOYSA-N 298.367 3.661 0 40 CHAB Cc1cccc(NC(=O)c2cc(N)ccc2Cl)c1C 20194137 CNZWMTRQPWZCPV-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB O=C(Nc1ccc2ccccc2n1)c1ccc(F)cc1 39976160 GPINBSJFYDJFIJ-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB c1csc(-c2cc(CN3CCOc4ccccc43)no2)c1 65504226 XAGBLLXYFFSLMQ-UHFFFAOYSA-N 298.367 3.802 0 40 CHAB CCc1ccccc1NC(=O)CCC(=O)c1cccs1 14710639 XAMAUWIWANITKA-UHFFFAOYSA-N 287.384 3.912 0 40 CHAB CC(=O)Nc1c(-c2ccc(C)cc2)nc2c(C)cccn12 27988654 GEGMOWAAWOUKKX-UHFFFAOYSA-N 279.343 3.577 0 40 CHAB c1ccc2c(-n3ccnc3)nc(-c3ccsc3)nc2c1 9338090 ZBMWHAHNKSWZEE-UHFFFAOYSA-N 278.340 3.544 0 40 CHAB Cc1cccnc1[C@@H](NC(=O)c1ccccc1F)C(C)C 71908533 CAZJKYXTLRMXLO-HNNXBMFYSA-N 286.350 3.656 0 40 CHAB c1ccc(-n2ccc(CN[C@H]3CCc4ccccc43)n2)cc1 89857620 VBHNNJLATPDLIX-IBGZPJMESA-N 289.382 3.649 0 40 CHAB COc1ccccc1CN(C)C(=O)c1cccc(Cl)c1 20489993 PBGXPBMPFOOFLZ-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB CC[C@H](C)NC(=O)c1cccnc1Sc1ccccc1 36674111 YPECZINNTSBRAO-LBPRGKRZSA-N 286.400 3.761 0 40 CHAB Cc1ccc(C(=O)n2cc(CO)c3ccccc32)cc1Cl 216955147 NEEVPXRUTRBCCB-UHFFFAOYSA-N 299.757 3.784 0 40 CHAB Cc1onc(-c2cccc3ccccc23)c1C(=O)O 70426659 PXRRJXZFSMXIEX-UHFFFAOYSA-N 253.257 3.501 0 40 CHAB Cc1nc(S)ccc1[C@H]1CCCCN1CC(C)C 72218403 TURJPXZTDGOQDZ-CQSZACIVSA-N 264.438 3.862 0 40 CHAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 71860874 UFCJRJHVCUWNQI-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccccc2F)on1 72395094 LVWIGSODWUGOSU-SUMWQHHRSA-N 288.366 3.623 0 40 CHAB Cc1nc(NC(=S)NCC(C)C)c(Cl)cc1Cl 223876509 HFVCLOQBSGLIET-UHFFFAOYSA-N 292.235 3.639 0 40 CHAB Cc1ccc(N(C)C(=O)C2(c3ccccc3)CC2)cc1C 225988969 FIIPBXXANXXSAO-UHFFFAOYSA-N 279.383 3.998 0 40 CHAB Cc1ccc(N2Cc3ccccc3C2=O)c(-n2cccc2)c1 226246325 RJKASPKOHJSVIM-UHFFFAOYSA-N 288.350 3.946 0 40 CHAB CC1=CC(C)(C)N(C)c2cc(Cl)c(C(=O)O)cc21 223793922 IXXCUVLXCMIKIV-UHFFFAOYSA-N 265.740 3.670 0 40 CHAB O=C(O)c1cccc(Oc2cccc(C(F)(F)F)n2)c1 44479788 UWYPBJPQEGBZET-UHFFFAOYSA-N 283.205 3.591 0 40 CHAB Cc1nc2ncnc(N[C@H](C)CCCC(C)C)c2nc1C 222286236 IINOGKQBFRPVID-LLVKDONJSA-N 287.411 3.663 0 40 CHAB COC(=O)c1ccc(Cc2ccc(C)cc2)n1CC(C)C 226029439 YDKUXJMZYNINEB-UHFFFAOYSA-N 285.387 3.830 0 40 CHAB O=C(Nc1ccccc1)c1snnc1-c1cccs1 225787523 MTGYTBSIGHRZFB-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB Cc1c(Cl)cccc1C(=O)c1ccc2c(c1)OCO2 95916352 ILVBZIBQALHNMR-UHFFFAOYSA-N 274.703 3.608 0 40 CHAB O=C(c1ccc(Oc2cccc(F)c2)o1)N1CCCCC1 96183966 ICCPWVLTYUJGNZ-UHFFFAOYSA-N 289.306 3.837 0 40 CHAB CCCOc1cc(C)ccc1NC(=O)OCC(F)(F)F 58332214 PYSAHVAFXXIVQA-UHFFFAOYSA-N 291.269 3.895 0 40 CHAB Cc1nc(C(=O)Nc2ccc(Cl)cc2F)ccc1F 1889139042 YIKCKOYWEWBILK-UHFFFAOYSA-N 282.677 3.574 0 40 CHAB O=C1c2ccc3ccccc3c2CC[C@@H]1N1CCCCC1 5700724 DEWCHKWQJYCBCB-SFHVURJKSA-N 279.383 3.823 0 40 CHAB C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@@H](O)C3)CC[C@@H]12 5921013 JWCUOJUQSHVMBS-WNOSKKOXSA-N 278.392 3.519 0 40 CHAB CC[C@H](C(=O)N1CCC(=C2CC2)CC1)c1ccccc1 238847377 IQALJUAPHOEPGY-KRWDZBQOSA-N 269.388 3.893 0 40 CHAB Cc1ccc(-c2nc(CSc3nccn3C)co2)c(C)c1 30014862 PWGZSENFWWMLCF-UHFFFAOYSA-N 299.399 3.984 0 40 CHAB COc1cc(SC)ccc1C(=O)Nc1ccccc1 30509 DJVYNAMGIBOBFU-UHFFFAOYSA-N 273.357 3.669 0 40 CHAB O=C(OCc1ccc(F)cc1)c1cccc(Cl)c1 150895 VRPBLNJZKJDWJT-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB CCCCOCCOC(=O)Nc1cccc(Cl)c1 1661310 BVTQTEZSLGZBDE-UHFFFAOYSA-N 271.744 3.705 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)NCCCc1ccccc1 10110165 RKNCNHXXYLHGOG-OAHLLOKOSA-N 299.439 3.916 0 40 CHAB Cc1cccc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 101397789 UQOHXOZETQDWMQ-IXYNUQLISA-N 257.377 3.550 0 40 CHAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8495103 VNOCDDUIRIMDKE-CQSZACIVSA-N 299.370 3.718 0 40 CHAB Cc1ccccc1NCc1ccc(O)c2ncccc12 809943 KQYZVYHKUWPULP-UHFFFAOYSA-N 264.328 3.861 0 40 CHAB Nc1cccc(Cl)c1NC(=O)c1ccccc1Cl 50352318 ZFOSBDJDMINSQT-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Cc1nc(CSc2ccc(Cl)cc2)cc(N(C)C)n1 1388882 JUSMLQHJLJCQNN-UHFFFAOYSA-N 293.823 3.797 0 40 CHAB Cc1noc(C)c1C(=O)Nc1c(Cl)cccc1Cl 61997287 ZFGIEPDTFVKEGW-UHFFFAOYSA-N 285.130 3.851 0 40 CHAB C[C@H](NC(=O)C1(C)CCCCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100663372 ZEDXCBOWIYGFBY-YJNKXOJESA-N 263.425 3.898 0 40 CHAB O=C(CSc1ncccn1)c1ccc2ccccc2c1 3240088 LSYHOCDWKAALGU-UHFFFAOYSA-N 280.352 3.605 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)c2cccs2)C1 57467187 WQSYSTPCDDGAHJ-NSHDSACASA-N 295.404 3.578 0 40 CHAB CC(=O)n1c(-c2nc3ccccc3o2)nc2ccccc21 28115688 FMJJKKRAPGEODF-UHFFFAOYSA-N 277.283 3.505 0 40 CHAB CCCCCC(=O)Nc1ccc(NC(=O)CC)cc1 2052373 JMWVFMMRAFORPW-UHFFFAOYSA-N 262.353 3.554 0 40 CHAB CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 2056015 WKLIILWHYTVQKO-UHFFFAOYSA-N 258.409 3.525 0 40 CHAB Cc1cc([C@H](O)C(F)(F)F)c(C)n1CCC(C)C 3389706 WSVSIIXHQCSQFY-LBPRGKRZSA-N 263.303 3.747 0 40 CHAB CN1CCC(C(=O)Nc2ccccc2-c2ccccc2)CC1 174465769 WSIROINKJIPLSC-UHFFFAOYSA-N 294.398 3.634 0 40 CHAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2N 118930988 OMKYOYBEVIPBMI-LOOUSXENSA-N 291.479 3.717 0 40 CHAB COCc1ccccc1NC(=O)N[C@@H](C)c1cccs1 46033056 BTYMYFZURKIOMK-NSHDSACASA-N 290.388 3.777 0 40 CHAB CCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 49250628 QPGULTWZFJRZOW-UHFFFAOYSA-N 294.807 3.798 0 40 CHAB CC1(C)C[C@](CC(=O)O)(Cc2ccccc2Cl)CCO1 5341959 DTWHZFUUSCPCPG-INIZCTEOSA-N 296.794 3.933 0 40 CHAB C[C@H](c1ccccc1)n1c(=S)[nH]c2ccccc2c1=O 5691710 DWHNTCIHPKYFIN-LLVKDONJSA-N 282.368 3.668 0 40 CHAB Cc1cccc(Nc2cc(N3CCCCC3)ncn2)c1 6793177 ANAWANBQWOFHOZ-UHFFFAOYSA-N 268.364 3.519 0 40 CHAB Cc1cnc(-c2cccc(NC(=O)c3c(C)noc3C)c2)o1 66811473 DFNYIVDYZYJJQF-UHFFFAOYSA-N 297.314 3.507 0 40 CHAB O=C(/C=C/Sc1ccccc1)Nc1ccccc1 7755560 BFBSDTVOZQLBTG-VAWYXSNFSA-N 255.342 3.931 0 40 CHAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccco1 7741526 GXFUMFJNADZXNL-SNVBAGLBSA-N 297.276 3.718 0 40 CHAB Cc1cccc(C(=O)Nc2c(C)ccc3nsnc23)c1 16349109 HWTZUMNNMGORLD-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB COc1ccc(C)cc1CC(=O)Nc1cccc(C)c1C 7914951 QKDINXBQHOWHTH-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccc(O)cc2)s1 97227828 RFFQPWLXVHSNLG-GFCCVEGCSA-N 289.400 3.524 0 40 CHAB Cc1cccc(CNC(=O)c2c(F)cccc2Cl)c1 26887111 LBYHMTRXWXOURF-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB Cc1ccccc1CN(C[C@H]1CCCCO1)C(C)C 95389765 HRCRQWMMADSRDE-QGZVFWFLSA-N 261.409 3.775 0 40 CHAB C[C@@H](NCCn1cnc2ccccc21)C1CCCCC1 84636444 OVMZKSYQDXZVTP-CQSZACIVSA-N 271.408 3.595 0 40 CHAB CC[C@H](NC(=O)c1ccccc1C)c1ccc(OC)cc1 20481184 KERMCMAXEOGTDE-KRWDZBQOSA-N 283.371 3.885 0 40 CHAB O=C(Nc1cccc2cnccc12)NC(C1CC1)C1CC1 43161894 AYKSZXMCMNNHMF-UHFFFAOYSA-N 281.359 3.545 0 40 CHAB O=C1CCCC[C@H]1Cc1ccccc1Br 38815716 CTRWALBMGBDSRI-NSHDSACASA-N 267.166 3.751 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1C 31112461 WQVCEOMCGDLPTP-UHFFFAOYSA-N 296.370 3.525 0 40 CHAB CCCN(CCC)C(=O)c1nc2ccccc2s1 33749777 KPQOQAAUMPMNRO-UHFFFAOYSA-N 262.378 3.559 0 40 CHAB COc1cc(OC)c(NC(=O)c2ccsc2)cc1Cl 14019861 IKYAFZPRGKZQTK-UHFFFAOYSA-N 297.763 3.671 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1F 45175014 DDKLGVNPSQCLNL-GFCCVEGCSA-N 287.334 3.634 0 40 CHAB Cc1ccc([C@H](C)NC(=S)Nc2ccncc2)c(C)c1 225479337 RKZSIBGFUJJZEW-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB CCc1ccc(CNC(=O)c2sccc2C)s1 40106760 SZHICGKAMCKRTF-UHFFFAOYSA-N 265.403 3.610 0 40 CHAB CCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1C 225707409 ZCGVBLPAPHJGDG-UHFFFAOYSA-N 291.391 3.682 0 40 CHAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCCC2)cc1C 223494901 FKGOZUKUYHGPBH-CQSZACIVSA-N 259.393 3.979 0 40 CHAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccn1 43210497 FZROPXZAHOKHKR-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB Cc1ccc(Nc2cc(Cl)ncn2)c(Br)c1 48631125 YBKBPANRWXMDGY-UHFFFAOYSA-N 298.571 3.945 0 40 CHAB CC(C)CCNC(=S)Nc1ccc(OC(C)C)cc1 225380773 BSPHOTJOVNMKOS-UHFFFAOYSA-N 280.437 3.806 0 40 CHAB CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCCC2 82272799 ICKMGGUSAYGWEK-UHFFFAOYSA-N 279.383 3.838 0 40 CHAB CCOC(=O)CCc1cc(Cl)cc(C(F)(F)F)c1 199566245 PKKXSIYDGWJLIX-UHFFFAOYSA-N 280.673 3.855 0 40 CHAB CCOC1(C(=O)Nc2ccc(OC)cc2)CCC(C)CC1 225719407 SOOFUFJKULMCNJ-UHFFFAOYSA-N 291.391 3.619 0 40 CHAB COCCCCC[S@@](=O)c1ccc(Cl)c(Cl)c1 96480853 NJHROEBPSXMMIW-KRWDZBQOSA-N 295.231 3.918 0 40 CHAB O=Cc1cccc(OCc2cccc(Cl)c2F)c1 95738607 ZYIKJVJOAMEYDB-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB O=C(c1cc(F)cc(F)c1)N1CCSc2ccccc21 58002892 CSKOMRKCYSCVFL-UHFFFAOYSA-N 291.322 3.717 0 40 CHAB CC(C)(C)OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 39409897 SLDDOBPIIRVZPF-APPZFPTMSA-N 265.180 3.919 0 40 CHAB in-vitro COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc(C)c1 5701278 MDKIGABHCHQHFZ-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(N)c1 19405143 PAFNRZULLCYRQK-UHFFFAOYSA-N 268.360 3.700 0 40 CHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)c1ccccc1 11636966 QXKQFVVJBUWOOD-QGZVFWFLSA-N 299.370 3.516 0 40 CHAB N[C@@H]1CCCN(Cc2ccsc2)[C@H]1c1ccccc1F 19368258 ZSDVTJYOHDEABY-CVEARBPZSA-N 290.407 3.552 0 40 CHAB CC(C)C[C@@H](NC(=O)c1ccco1)c1ccccc1 20108224 WQWSQJQHXLHASH-CQSZACIVSA-N 257.333 3.797 0 40 CHAB C[C@H]1Cc2ccccc2[C@H](CCc2ccccc2)N1 3208769 GWHXMUJKGXTFTL-KSSFIOAISA-N 251.373 3.895 0 40 CHAB biogenic Cc1ccc(C)c(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1 1775976260 XKRJSONTOFDLJI-ROUUACIJSA-N 295.430 3.868 0 40 CHAB CC(C)(C)[C@H](O)[C@H](Oc1ccc(Cl)cc1)n1ccnc1 5114292 JRGUJQIBKGUMHR-KGLIPLIRSA-N 294.782 3.521 0 40 CHAB Cc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1 49236 NVTCEUJHWFLJBS-UHFFFAOYSA-N 290.366 3.675 0 40 CHAB biogenic CC(C)(C)c1cc(C(=O)N2CCc3ccccc32)ccn1 347170 KSABOQWJWSNFOG-UHFFFAOYSA-N 280.371 3.582 0 40 CHAB COc1cccc(NC(=O)c2cc(C)cc(C)c2)c1 385067 YVPVJFFDIZLDJW-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB O=C(Nc1nc(-c2cccs2)cs1)c1ccncc1 69026 JTSRYXLCCQJBAY-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB COc1ccc(OC)c(C(=O)c2ccc(Cl)cc2)c1 137703 LDDITTZHWQYVJU-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB CC[C@@H](N[C@@H](C)CC(C)(C)OC)c1ccc(OC)cc1 37062570 IGLUDTWYPHTQNX-XJKSGUPXSA-N 279.424 3.940 0 40 CHAB C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1 32819262 XTNGALBJROLALQ-OAHLLOKOSA-N 277.371 3.723 0 40 CHAB Cc1ccc(C)c(NC(=S)NCc2ccc(F)cc2)c1 2784595 MEQNTMNCOZAVFK-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB Cc1cc(C)c2ccc(=O)n(Cc3cccc(Cl)c3)c2n1 480232 OMCKJQRQJCHNRN-UHFFFAOYSA-N 298.773 3.715 0 40 CHAB OC1CCC(N[C@@H]2CCSc3ccc(Cl)cc32)CC1 37201905 XRUQVVNLFPSMRP-ORHYLEIMSA-N 297.851 3.770 0 40 CHAB CC[C@@H](C)[C@H](N)c1nnc(SCc2cccc(F)c2)o1 533572 GALYNSRAFSHBLM-SKDRFNHKSA-N 295.383 3.547 0 40 CHAB Cc1ccc(CCC(=O)N2c3ccccc3C[C@@H]2C)cc1 10449916 JWLDVHPPTQTCLH-HNNXBMFYSA-N 279.383 3.905 0 40 CHAB Nc1nc2c(C(F)(F)F)cc(Br)cc2s1 22121874 XJTICDQMJNLBNO-UHFFFAOYSA-N 297.099 3.660 0 40 CHAB Cc1csc(NC(=O)c2oc3ccc(F)cc3c2C)n1 10554823 BFXCBGQLRPQQJV-UHFFFAOYSA-N 290.319 3.898 0 40 CHAB COc1ccc(OC(=O)c2nc3ccccc3s2)cc1 8157954 UECDAIMGSHKHKE-UHFFFAOYSA-N 285.324 3.524 0 40 CHAB c1ccc(CCSc2nnc(Cc3ccccc3)o2)cc1 12249308 VKLHAEIHDHSWPK-UHFFFAOYSA-N 296.395 3.995 0 40 CHAB Nc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1O 8782237 ZKRHMOJQMFPZBS-UHFFFAOYSA-N 288.656 3.709 0 40 CHAB CCc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)s1 102197682 WWLPNFYHGAJCAR-FMCLSXCISA-N 277.433 3.865 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101409706 KHRSAXBMJLFWDF-BREBYQMCSA-N 294.192 3.824 0 40 CHAB c1ccc(N2N=N[C@@H]3[C@@H]2[C@@H]2C[C@@H]3[C@H]3CCC[C@@H]32)cc1 104059246 DWLOBJXBLYSGOT-DERJNBNXSA-N 253.349 3.677 0 40 CHAB COc1ccc(-c2onc3cc(C(F)(F)F)cnc23)cc1 1400498 DGODSVAODNWUND-UHFFFAOYSA-N 294.232 3.917 0 40 CHAB C[C@H](Nc1ccc(F)cc1)c1nc(-c2ccco2)no1 26982388 SNGUKYLAPSXDOY-VIFPVBQESA-N 273.267 3.642 0 40 CHAB CC(C)CC[S@](=O)Cc1ncc(Cl)cc1Cl 97148227 OSHINOMSNLRBHP-MRXNPFEDSA-N 280.220 3.683 0 40 CHAB CCOc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1 27400324 PLEAKNILGPENMG-UHFFFAOYSA-N 288.347 3.757 0 40 CHAB Cn1nc(-c2ccc(C3CCCCC3)cc2)cc1C(=O)O 26420223 PXBJIFXIBAKFEK-UHFFFAOYSA-N 284.359 3.833 0 40 CHAB Cc1cc(NC(=O)N[C@@H](c2cccs2)C(C)C)no1 48234991 GCDMPICKMXGYOD-GFCCVEGCSA-N 279.365 3.563 0 40 CHAB Cc1ccc(C(=O)c2ccc(CN3CC=CC3)cc2)c(C)c1 2514900 ULIYJEAKEKCTDL-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB CCOc1ccc([C@@H](C)Nc2cncc(Cl)n2)cc1 48893059 SCPXBSUGIVZGMC-SNVBAGLBSA-N 277.755 3.702 0 40 CHAB Cc1cc(NC(=O)CS[C@H](C)c2ccc(F)cc2)on1 49462475 RFSSODCLSICHJO-SNVBAGLBSA-N 294.351 3.555 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc(O)c1 13591822 OFAYMVYHZLLXRW-QPEQYQDCSA-N 271.703 3.538 0 40 CHAB Cc1ccccc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163625 RWCXJUCQJJCBQT-UHFFFAOYSA-N 292.338 3.606 0 40 CHAB CCCCCc1c(C)nc(Nc2cccc(C)c2)[nH]c1=O 9015630 CWNBYUFPJFDCGZ-UHFFFAOYSA-N 285.391 3.863 0 40 CHAB Clc1ccc(CSC2=N[C@@H]3CCCC[C@H]3N2)cc1 6584828 XIOLXLZPIDJCEY-CHWSQXEVSA-N 280.824 3.844 0 40 CHAB Cc1ccccc1N(C(=O)c1scnc1C)C(C)C 71858642 CTSWNNQZFSOYNX-UHFFFAOYSA-N 274.389 3.815 0 40 CHAB Nc1ccc(Oc2ccc(F)cc2F)c(Cl)c1 14630101 COEWNUMJGZJDEM-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB O=C(c1ccco1)N1CCC[C@H]1c1nc2ccccc2s1 5937143 ONABIHPDVAPQTB-LBPRGKRZSA-N 298.367 3.867 0 40 CHAB O=c1ccn(C2CC2)c(SCc2ccc(Cl)cc2)n1 69582000 XKVKGTRVWPOPPW-UHFFFAOYSA-N 292.791 3.524 0 40 CHAB C[C@@H](c1ccccc1)[C@@H]1NN=C(c2ccccc2)S1 409080022 HJKBWXRGVJJQGO-SWLSCSKDSA-N 268.385 3.814 0 40 CHAB c1ccc2c(-c3csc(NC4CC4)n3)c[nH]c2c1 9683021 QMOIYDLREWQHHQ-UHFFFAOYSA-N 255.346 3.866 0 40 CHAB Cc1nnc(COc2ccc(Cl)c3ccccc23)n1C 95350379 VXBNQDIOSAZOHX-UHFFFAOYSA-N 287.750 3.509 0 40 CHAB COc1ccc2nccc(Nc3cccc(C(=O)O)c3)c2c1 78401508 ZQVGCBKIYYNVQX-UHFFFAOYSA-N 294.310 3.685 0 40 CHAB CCCCn1ccc(=O)c(OCc2ccccc2)c1C 34412455 HAMSDWQXEVMRLP-UHFFFAOYSA-N 271.360 3.536 0 40 CHAB Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)s1 32844976 LGVDVSNMRVGUGY-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CC(C)CN1CCCC[C@H]1c1cccnc1NC1CC1 72213741 GXWHTQNJNZIEAW-INIZCTEOSA-N 273.424 3.839 0 40 CHAB Cc1cc(SC2CCCCC2)ncc1[C@@H](C)O 72223836 MLQULLWBDBGVIG-LLVKDONJSA-N 251.395 3.868 0 40 CHAB O=C(O)c1cc(Cl)c2[nH]c(-c3ccc(F)cc3)nc2c1 216922471 HOHDBPCZUBOIBY-UHFFFAOYSA-N 290.681 3.721 0 40 CHAB CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C 225603674 IASDPIYMPUGCLB-SUMWQHHRSA-N 293.407 3.926 0 40 CHAB CCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1 225722089 BTORITRFZZTGHX-KRWDZBQOSA-N 291.391 3.619 0 40 CHAB CCc1ccccc1Nc1ccc(N)cc1C(=O)NC(C)C 225466441 CAWACLGVGYJBDD-UHFFFAOYSA-N 297.402 3.713 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NCC2CCCCC2)cc1C 224605384 IAEXDMIZFLRCQS-OAHLLOKOSA-N 289.419 3.767 0 40 CHAB Clc1ccc(Cl)c(NCc2nc(C3CC3)no2)c1 48657167 DAENIBGFFHPTIB-UHFFFAOYSA-N 284.146 3.866 0 40 CHAB O=C([C@@H]1C[C@H]1C1CC1)N(Cc1ccccc1)c1ccncc1 96499816 JJNGPKYYWGEOIL-ZWKOTPCHSA-N 292.382 3.661 0 40 CHAB COc1cc(F)c(F)cc1C(=O)C(Cl)(Cl)Cl 394588967 YSRXVQDQYXDRKC-UHFFFAOYSA-N 289.492 3.526 0 40 CHAB COCc1ccccc1NC(=O)N[C@H](C)c1cccs1 46033057 BTYMYFZURKIOMK-LLVKDONJSA-N 290.388 3.777 0 40 CHAB Cc1ccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 5557242 NMPFNOVTMBDZNL-UHFFFAOYSA-N 297.442 3.931 0 40 CHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccnc1 32787274 QIHZGLIXZBXKSH-LLVKDONJSA-N 274.751 3.568 0 40 CHAB O=C(NC1CCC(F)(F)CC1)c1ccc(F)c(Cl)c1 341454988 DDFWBSIAEGAYGU-UHFFFAOYSA-N 291.700 3.787 0 40 CHAB COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1Cl 63036 ILQVFUKWRUSVKV-UHFFFAOYSA-N 263.724 3.739 0 40 CHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1 38407 FDDJKDJSDPCMJE-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB Cc1cc(C)c2c(C)c(C(=O)NCc3ccncc3)oc2c1 387714 KXDCDRYYSNMNEQ-UHFFFAOYSA-N 294.354 3.683 0 40 CHAB COc1ccc(F)cc1[C@@H](C)NCc1cccs1 37089768 QNXXGCIJGSGOJK-SNVBAGLBSA-N 265.353 3.747 0 40 CHAB COc1ccc(C(=O)NC2CCCCCCC2)cc1OC 354997 YQHSYHAXFAYSLJ-UHFFFAOYSA-N 291.391 3.547 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3O)[C@@H]1[C@H]2C 1017744 YHPKSMCKTAILCI-AHQUFDAQSA-N 258.361 3.928 0 40 CHAB biogenic O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccccc1 1414996 GOHQKZCSFBZYFF-UHFFFAOYSA-N 294.379 3.991 0 40 CHAB COc1ccc([C@@H](CCc2ccccc2)OC(C)=O)cc1 1686445 DLXKJDVRPWUJLL-GOSISDBHSA-N 284.355 3.932 0 40 CHAB O=C(NCC1CC1)N1CCC[C@@H]1CC1CCCCC1 60977833 PZVPNSZJMDDQCS-OAHLLOKOSA-N 264.413 3.541 0 40 CHAB O=C(Cc1cccs1)N1CCC[C@H]1c1ccsc1 46911583 KHSKSVDVZQSAEX-ZDUSSCGKSA-N 277.414 3.716 0 40 CHAB Cc1cc2c(cc1C)CN(c1cccc(C(=O)O)c1)C2 559716 FAGPZTWSFDKCIQ-UHFFFAOYSA-N 267.328 3.522 0 40 CHAB CN(CCC(=O)Nc1ccccc1Cl)C1CCCCC1 22194248 SGOPAZKETBXGAD-UHFFFAOYSA-N 294.826 3.933 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)c1cn(C)c2ccccc12 12528084 JDPPOTRGFKJDAJ-AWEZNQCLSA-N 292.382 3.978 0 40 CHAB C[C@@H]1[C@@H](NC(=O)Cc2cccc3cccnc23)CCC[C@H]1C 105883043 RQZIUTDNRCURFR-KEYYUXOJSA-N 296.414 3.718 0 40 CHAB CCOC(=O)c1ccc(C(=O)CCc2cccc(C)c2)cc1 43211941 QBRSIHOHQWCIHF-UHFFFAOYSA-N 296.366 3.987 0 40 CHAB c1nc2nc(-c3ccc(C4CCCCC4)cc3)ccn2n1 1386276 VZGHFSMINJQBBI-UHFFFAOYSA-N 278.359 3.839 0 40 CHAB Cc1cc(Cl)nc(Nc2ccc(F)c(C)c2)n1 44845960 FQCRDYJEOVFBLD-UHFFFAOYSA-N 251.692 3.630 0 40 CHAB O=C(O)c1csc(-c2c(Cl)cccc2Cl)n1 36893217 YYHBRWFGFYTFHR-UHFFFAOYSA-N 274.128 3.815 0 40 CHAB CC1(C)COC(CCCCC(=O)c2cccc(F)c2)OC1 2518057 WTKIHBUKFVSNKO-UHFFFAOYSA-N 294.366 3.968 0 40 CHAB COc1ccccc1CN(C)c1nc2ccccc2nc1C 29402303 ZUGSGKJXQWPBAK-UHFFFAOYSA-N 293.370 3.583 0 40 CHAB Cc1cc(C(=O)Nc2cccc3ncccc23)c(C)o1 12983902 XYIUSJYJAOZCHQ-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB C[C@@H](NC(=O)c1ccccc1O)c1cccc(Cl)c1 12999628 RLAWJHKSXZELKV-SNVBAGLBSA-N 275.735 3.537 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N1CCc2sccc2[C@@H]1c1ccccc1 13008565 MSQNGLNDSYJGFW-VMGRFDJRSA-N 297.423 3.878 0 40 CHAB COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccccc1 9454328 ARBMUNCPTMEZTL-ZDUSSCGKSA-N 284.359 3.886 0 40 CHAB COc1ccc2cc([C@H](C)C(=O)N3CCCC3)ccc2c1 14163013 WISIRXZCMJZPMZ-ZDUSSCGKSA-N 283.371 3.574 0 40 CHAB O=C(Nc1cc(F)ccc1F)c1ccc2ccccc2n1 6560191 ASQSSIKYHODXEC-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB CC[C@H](C)NC(=O)COc1ccc(-c2ccc(C)cc2)cc1 5656302 IUMMEJSOHOURLT-HNNXBMFYSA-N 297.398 3.956 0 40 CHAB Cc1ccc(NC(=O)c2cc(F)ccc2F)c(C)c1 16284962 JTLNDSRAJQZXQP-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 91303283 IVRUWSXRIDJXDH-QEJZJMRPSA-N 288.391 3.642 0 40 CHAB CC(C)c1n[nH]c(S[C@H](C)c2ccc(F)cc2)n1 9337589 LUCGZUQJGFEFAU-SECBINFHSA-N 265.357 3.921 0 40 CHAB CCc1ccc([C@H]2CCCCCN2Cc2nnc(C)o2)o1 71916187 HWMBOEZTYHQPGT-CQSZACIVSA-N 289.379 3.651 0 40 CHAB CC(C)[C@H]1C[C@@H](CN(C)Cc2ccccc2)CCO1 95995476 PNOBLPFZYWHWHJ-DLBZAZTESA-N 261.409 3.570 0 40 CHAB Cc1occc1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28220997 GUPSXIKYDHDKKY-ZDUSSCGKSA-N 294.354 3.870 0 40 CHAB CCC[C@H](NC(=O)CCc1ccccc1O)c1ccccc1 21928936 WBFWRZOGLVJNTM-KRWDZBQOSA-N 297.398 3.982 0 40 CHAB CC(C)C(NC(=O)[C@@H](C)Sc1ccccc1)C(C)C 20238467 RPBSZHXDFLPXFQ-CYBMUJFWSA-N 279.449 3.964 0 40 CHAB O=C(NC[C@@H](c1ccsc1)c1ccco1)C1CCCC1 675007854 VPYYDEFGDRADCJ-AWEZNQCLSA-N 289.400 3.779 0 40 CHAB O=C(O)c1noc(-c2ccccc2)c1Cc1cccs1 72220500 JJRYCFQSOMOPLU-UHFFFAOYSA-N 285.324 3.692 0 40 CHAB COc1ccc(Cl)cc1NC(=O)OC(C)(C)C 75290393 PGURTIQXGNLGBG-UHFFFAOYSA-N 257.717 3.696 0 40 CHAB CCc1occ(-c2ccc(Cl)cc2)c1C(=O)O 75753421 SLQDWVKZLRMWRS-UHFFFAOYSA-N 250.681 3.861 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(C)CC1 44846202 SFFWCWIYYXAHJJ-CQSZACIVSA-N 295.810 3.756 0 40 CHAB CCCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OC)c(C)c1 225732109 URKWDQIRGOCPHD-KRWDZBQOSA-N 293.407 3.846 0 40 CHAB CCCCOc1ccc([C@H](C)NCCCOC)cc1 225169892 BLSJYEWMLKFLIA-AWEZNQCLSA-N 265.397 3.553 0 40 CHAB CC(C)(C)c1ccc(C(=O)c2ccc(C(=O)O)o2)cc1 85394370 IJOIGMDPHVRHHN-UHFFFAOYSA-N 272.300 3.506 0 40 CHAB Cc1ccc2c(Br)c(F)cc(C)c2n1 85399664 MZYWUGQSJIWDOJ-UHFFFAOYSA-N 254.102 3.753 0 40 CHAB COC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccccc2)n1 96517671 IYRZVLRGARAAIN-UHFFFAOYSA-N 292.338 3.634 0 40 CHAB CCOc1ccc([C@H]2COc3cc(C)ccc3N2)cc1 96531344 BCBYAPSVSMLFDU-MRXNPFEDSA-N 269.344 3.939 0 40 CHAB O=C(Oc1ccc(Cl)cc1)c1nc2ccccc2o1 255188852 LZZRQXCCMSNPOE-UHFFFAOYSA-N 273.675 3.700 0 40 CHAB COc1ccc(C(=O)c2cccc(F)c2Cl)cc1OC 89064217 VTACQOHEPATMNK-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB Fc1ccc2c(C3CCN(c4ccccn4)CC3)noc2c1 291159543 PUFOWMHGSKCPLB-UHFFFAOYSA-N 297.333 3.746 0 40 CHAB O=C(NCc1ccc(C2CC2)nc1)c1cc2ccccc2o1 585150137 HFRSZWJDBSXRMH-UHFFFAOYSA-N 292.338 3.635 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cccc(F)c1F 54188934 BHGVDGMJWBZBBV-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB C[C@H]1c2ccccc2OCCN1C(=O)Nc1ccccc1 82358733 HUVKIESTZZIHGN-ZDUSSCGKSA-N 282.343 3.674 0 40 CHAB CCc1ccc(O)c(NC(=O)Cc2ccc(Cl)cc2)c1 5877423 SIIYJWWTKCBFLZ-UHFFFAOYSA-N 289.762 3.789 0 40 CHAB COP(=O)(OC)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 5920172 AFNXUAYEZKBLDO-SNVBAGLBSA-N 299.090 3.644 0 40 CHAB CCc1ccc([C@H](C)NC(=O)COc2ccc(C)cc2)cc1 14737994 WCSHWAXAZJHCPI-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB Cc1c[nH]nc1[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 607854173 SGDONXRNJCMLQB-MRXNPFEDSA-N 294.402 3.579 0 40 CHAB CCc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 3473188 KYXJVQQCWOXGGO-UHFFFAOYSA-N 278.355 3.912 0 40 CHAB Cc1cn(C)c([C@H]2CCCN2Cc2cccc3[nH]ccc23)n1 1848352226 VEKAKHZRVMNSTQ-QGZVFWFLSA-N 294.402 3.547 0 40 CHAB Cc1cccc2nc(COc3ccc(Cl)cc3)cn12 312847 MZMUZEWCKSBASX-UHFFFAOYSA-N 272.735 3.875 0 40 CHAB COc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 3053197 DLNOTUVDXVGKNN-HNNXBMFYSA-N 296.370 3.717 0 40 CHAB Fc1cccc(CSc2ccc(-c3ccncc3)nn2)c1 4358000 BKXMFFBLBMXBTF-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB COc1ccccc1NC(=O)CSCc1ccccc1 3601989 USVOHGVDFPEVJS-UHFFFAOYSA-N 287.384 3.567 0 40 CHAB COC(=O)C[C@H](Nc1ccc(C)cc1)c1ccccc1 38337740 LCBCFALXIVJAID-INIZCTEOSA-N 269.344 3.711 0 40 CHAB CC(C)c1ccccc1NC(=O)NCCCOCC1CC1 40024017 YWJBVQUGBRAJPD-UHFFFAOYSA-N 290.407 3.748 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCCCCC1 38155 UUELXDCWCIRMDP-UHFFFAOYSA-N 270.376 3.535 0 40 CHAB C1=C(CCNc2ncnc3sccc23)CCCC1 40412332 BFNIUKWLDADGMC-UHFFFAOYSA-N 259.378 3.994 0 40 CHAB CS[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 31664627 MJDAFZDIGZNYSS-ZCFIWIBFSA-N 264.177 3.683 0 40 CHAB CCc1cc(C(=O)Nc2cccnc2Cl)cs1 20607052 DCFIYVKDACADMW-UHFFFAOYSA-N 266.753 3.611 0 40 CHAB C[C@@H](NC(=O)CCc1ccco1)c1ccc(Cl)s1 32817608 ZONIWRMAFMDAKS-SECBINFHSA-N 283.780 3.805 0 40 CHAB CCCCn1c(C)nc2cc(C(F)(F)F)cc(N)c21 1563263 FNHKXOWILIHKCO-UHFFFAOYSA-N 271.286 3.746 0 40 CHAB CCCOC(=O)c1cccc(NC(=O)c2ccccc2)c1 2027560 VRNORVQEOKHSFG-UHFFFAOYSA-N 283.327 3.506 0 40 CHAB Cc1oc(-c2cccs2)nc1CS[C@H](C)[C@@H](C)O 79060063 WDVVCCSIBYNXJW-PSASIEDQSA-N 283.418 3.714 0 40 CHAB O=C(CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1F 4934830 HJBRVVDCPXNIPI-KBPBESRZSA-N 275.367 3.521 0 40 CHAB Brc1csc(CNCc2ccccc2)c1 6787325 JKMXHZNPYCHJSJ-UHFFFAOYSA-N 282.206 3.800 0 40 CHAB COc1ccc(S[C@H](C)C(=O)NC2CCCCC2)cc1 7790421 IDPHTYDOWXUESB-GFCCVEGCSA-N 293.432 3.625 0 40 CHAB CCOCCCNCc1ccc(Cl)c(Cl)c1 8253166 VIRWJKJNIZKIDA-UHFFFAOYSA-N 262.180 3.510 0 40 CHAB CCc1ccc(CCC(=O)Nc2ccc(F)cc2)cc1 8272661 YQKZIQVYQPHARV-UHFFFAOYSA-N 271.335 3.959 0 40 CHAB COc1cccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 22006220 AVUPCGGBSUNPLH-HUUCEWRRSA-N 273.376 3.872 0 40 CHAB COc1ccc(N/C=C2/Sc3ccccc3NC2=O)cc1 100363696 ZRNZQHWDJOYNNU-XNTDXEJSSA-N 298.367 3.693 0 40 CHAB CCn1c(NC(=O)NC2CCCCC2)nc2ccccc21 27923285 LGDYUCYXXUNAGE-UHFFFAOYSA-N 286.379 3.510 0 40 CHAB Cc1cc2nc(SCC(=O)C(C)(C)C)[nH]c2cc1C 3164265 SFIISOWJHAYNEE-UHFFFAOYSA-N 276.405 3.887 0 40 CHAB O=C(NC1CCCCCC1)c1ccc(F)cc1Cl 3245431 KLKVNWVXIOCVEO-UHFFFAOYSA-N 269.747 3.932 0 40 CHAB CCCCCNCc1cccc(Br)c1 2178100 JBXQBLGZXVYITJ-UHFFFAOYSA-N 256.187 3.729 0 40 CHAB Cc1cccc(N[C@@H](C)C(=O)NC2CCCCCC2)c1C 28744292 JQRHGVRQAKKTOD-HNNXBMFYSA-N 288.435 3.943 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCCC[C@H]1C 36834113 JAXUUNLWWUVEFZ-IUODEOHRSA-N 298.386 3.959 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)NCCc1cccs1 12942434 CDXIPMGVTSFQFX-UHFFFAOYSA-N 298.411 3.521 0 40 CHAB O=C(O)[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 3749293 YYGKVQTTYRUFEX-SFHVURJKSA-N 295.382 3.650 0 40 CHAB CC(=O)Nc1ccc(OCc2ccccc2C)cc1 5347170 FYSOGRLSPIJQLQ-UHFFFAOYSA-N 255.317 3.532 0 40 CHAB CC(C)CNC(=O)/C=C/c1ccc(Cl)cc1Cl 5907785 STSPBUWNDUQZOE-GQCTYLIASA-N 272.175 3.779 0 40 CHAB CC/C=C(\C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 96305514 RICKURNDXGNFRI-WEVVVXLNSA-N 285.290 3.591 0 40 CHAB CCc1ccccc1NC(=O)[C@@H](C)c1ccccc1 96318518 GLEHEZLAHDNSPP-ZDUSSCGKSA-N 253.345 3.991 0 40 CHAB CC[C@@H](Nc1ccc2c(c1)C(=O)NC2)c1ccc(OC)cc1 97232062 IIMDBCDEZGNSGB-QGZVFWFLSA-N 296.370 3.502 0 40 CHAB COc1ccccc1[C@H](CC(C)C)NC1CCOCC1 95968813 JGWAKCAPKNBOAA-INIZCTEOSA-N 277.408 3.551 0 40 CHAB Cc1c(C=O)c2cc(O)ccc2n1Cc1ccccc1 39188578 OEZWPRYZGUSEPV-UHFFFAOYSA-N 265.312 3.516 0 40 CHAB CCCCn1c([C@H](C)N)nc2cc(Cl)ccc21 64874477 IHQLKRTWNIYTSQ-VIFPVBQESA-N 251.761 3.510 0 40 CHAB CCCCOc1ccc(C(=S)NCc2ccco2)cc1 408571277 AVWMTPCBXGEDHA-UHFFFAOYSA-N 289.400 3.924 0 40 CHAB COc1ccc(OC)c([C@H]2CCCCN2CC(C)C)c1 72221887 TVEOYQPSTBZMKH-MRXNPFEDSA-N 277.408 3.887 0 40 CHAB CN(C)C(=O)Oc1ccc2c(-c3ccccc3)noc2c1 32091015 OCMSTSWPCJVXBT-UHFFFAOYSA-N 282.299 3.555 0 40 CHAB ClC1=C(Cl)OC(Cl)(Cl)C(Cl)(Cl)O1 34407277 YYGSURDBYJKFJJ-UHFFFAOYSA-N 292.760 3.900 0 40 CHAB O=Cc1ccc2nc(-c3ccccc3F)sc2c1 73740335 IGHQLGPNQWGNHT-UHFFFAOYSA-N 257.289 3.915 0 40 CHAB CCCC[C@H](Oc1cccc2ccccc12)C(=O)O 132238019 HBUNKQDVBZSKGL-HNNXBMFYSA-N 258.317 3.862 0 40 CHAB CCCCOC(=O)c1cc(N)c(Cl)c(Cl)c1 41046592 XOIJFRDZDKSRSE-UHFFFAOYSA-N 262.136 3.533 0 40 CHAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 40945964 RKOGXMSNIYQWPK-CQSZACIVSA-N 299.370 3.718 0 40 CHAB Cc1ccc(-c2nnsc2C(=O)Nc2ccccc2)cc1 225773424 KWGYWLIXMDISGO-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1cccc(Cl)c1 43879456 DFBMXSVOJDRHTE-CMPLNLGQSA-N 280.751 3.804 0 40 CHAB CC(C)CCOc1ccc(C(=O)C(F)(F)F)cc1 95730642 NGHVHFCNJSCFDA-UHFFFAOYSA-N 260.255 3.857 0 40 CHAB CC(C)n1nccc1NC(=O)N1C[C@@H](C)CCC[C@H]1C 98014223 KPZNRVYOJZPIHZ-QWHCGFSZSA-N 278.400 3.506 0 40 CHAB Cc1cc(C)cc([C@@H](C)NCc2ccc(CO)cc2)c1 183106070 RLYNKEQUNZVVJA-OAHLLOKOSA-N 269.388 3.647 0 40 CHAB CC(C)c1ccc(C(=O)C(F)(F)Br)cc1 382675944 QXYGBJFQYYPAIH-UHFFFAOYSA-N 277.108 3.980 0 40 CHAB Cc1cccc(CNc2cccc3[nH]ncc23)c1C 43314217 SFJVPSCAYFNAPZ-UHFFFAOYSA-N 251.333 3.792 0 40 CHAB CCOC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1 5718041 ZUCYVFDHEFJDJB-UHFFFAOYSA-N 298.342 3.816 0 40 CHAB Cc1ccc(SCCCC(=O)Nc2nccs2)cc1 10217906 SOFHBPIJPQSTCQ-UHFFFAOYSA-N 292.429 3.963 0 40 CHAB COc1cccc(SCc2nc(C(C)(C)C)no2)c1 40059648 MFULTHMVHCHUBL-UHFFFAOYSA-N 278.377 3.668 0 40 CHAB Cc1cccc([C@@H](OCCN(C)C)c2ccccc2)c1 377874 VSIVTUKDXUYWPL-SFHVURJKSA-N 269.388 3.663 0 40 CHAB in-vitro O=C(Cc1cccs1)Nc1ccccc1Cl 272357 FOCJNEWTQHQHSB-UHFFFAOYSA-N 251.738 3.583 0 40 CHAB Cc1ccccc1NC(=O)Cc1c(F)cccc1Cl 367294 UEKUEESTRCLIIA-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB C[C@]12C[C@H](NC(=O)N1c1cccc(F)c1)c1ccccc1O2 427396 BQOHJBOIUGENCN-YOEHRIQHSA-N 298.317 3.595 0 40 CHAB CCOC(=O)/C(=C\c1ccccc1)c1ccccc1 4758833 LHBZQXYESNTQML-SSZFMOIBSA-N 252.313 3.790 0 40 CHAB COc1ccc2sc(/C=C/c3ccccc3O)[n+](C)c2c1 4838697 LRQQEHRWDQFMIG-UHFFFAOYSA-O 298.387 3.610 0 40 CHAB Cc1ccc(C)c(CSc2nnc(C)s2)c1 6501644 HQZCBNXWMCRCBS-UHFFFAOYSA-N 250.392 3.756 0 40 CHAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 550892 NAHIGDBJZMCRPX-MRXNPFEDSA-N 293.370 3.690 0 40 CHAB CCOC(=O)c1cc2cc3ccccc3nc2s1 520932 KUCAAJKZHFZCOH-UHFFFAOYSA-N 257.314 3.626 0 40 CHAB COc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 8499185 UOFSNCMIZHEGTB-CQSZACIVSA-N 299.370 3.718 0 40 CHAB Cc1c2n(c3ccccc13)CCN[C@@H]2c1ccccc1 53151233 JVXQRIWBIYJXBI-QGZVFWFLSA-N 262.356 3.642 0 40 CHAB CC(C)c1ccccc1OCc1ccoc1C(=O)O 37333242 ZJWXKADQNJAYIM-UHFFFAOYSA-N 260.289 3.680 0 40 CHAB O=C1c2ccccc2CCC12COC(c1ccccc1)OC2 1385269 OXAACMKSHLZPSD-UHFFFAOYSA-N 294.350 3.548 0 40 CHAB COc1ccc(-c2ccc(C=O)o2)c(Br)c1 57353736 IVCCHBMZXJSCJD-UHFFFAOYSA-N 281.105 3.530 0 40 CHAB O=Cc1ccc(OCc2ncc(-c3ccccc3)o2)cc1 25453999 SUBMOXZDBIUTDN-UHFFFAOYSA-N 279.295 3.733 0 40 CHAB Cc1ccc(C)c(CC(=O)NCCC2=CCCCC2)c1 20488736 AAKIUCIMERQGKB-UHFFFAOYSA-N 271.404 3.853 0 40 CHAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1F 25439982 XFOAPDCOWXHITB-MRXNPFEDSA-N 299.345 3.642 0 40 CHAB COc1cccc(-c2csc(NCC(C)C)n2)c1 3336814 MLLJVQBOPRNBKW-UHFFFAOYSA-N 262.378 3.887 0 40 CHAB CCCCC(=O)N(Cc1ccccc1)Cc1ccco1 28228431 LYZMBVIQTWYWBS-UHFFFAOYSA-N 271.360 3.999 0 40 CHAB Cc1ccc(CNC(=O)[C@@H](C)Nc2cc(C)cc(C)c2)cc1 28875013 VIGWIESVLRGFCG-MRXNPFEDSA-N 296.414 3.729 0 40 CHAB O=C(CCC1OCCCO1)c1cccc(Cl)c1Cl 2581262 QJYIFKCTOPNEJI-UHFFFAOYSA-N 289.158 3.719 0 40 CHAB CCn1c2ccccc2c2cc(/C=C/C(=O)O)ccc21 3888840 FMELYMHOSLTJEH-CSKARUKUSA-N 265.312 3.912 0 40 CHAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)no1 4060167 VXEYUUJPPYMVLO-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB CCSC1=NC(C)(C)Cc2cc(OC)c(OC)cc21 4751443 ZJVDPVXKIZPONE-UHFFFAOYSA-N 279.405 3.538 0 40 CHAB COCc1cccc(NC(=O)CCc2ccc(F)cc2)c1 29144443 SHVKNIPFOUXQJE-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB CC[C@]1(C)CCN(C(=O)c2ccc(F)cc2Cl)C1 84735404 LCOFPUMZNDXOQQ-CQSZACIVSA-N 269.747 3.741 0 40 CHAB COc1ccc(Cl)cc1-c1cccc(C(=O)O)c1 33428037 BLCXFSUTKOZWLS-UHFFFAOYSA-N 262.692 3.714 0 40 CHAB CCOc1ccc(-c2cc(-c3cccs3)nc(N)n2)cc1 71977772 XHOUNBGDQQJOPL-UHFFFAOYSA-N 297.383 3.853 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=O)C2 4721189 IHHKCVMULSSIQO-RHNZQBAGSA-N 288.431 3.879 0 40 CHAB biogenic,in-vitro Cc1ccoc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 32841881 QENICKRCIISLSK-LLVKDONJSA-N 261.296 3.560 0 40 CHAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccccc2)c1 219485913 PQAUVQXHJYZVDH-INIZCTEOSA-N 297.398 3.511 0 40 CHAB CC(C)Oc1ccccc1NC(=O)Cc1ccc(F)cc1 32288114 RITBEUNOJJSOMT-UHFFFAOYSA-N 287.334 3.794 0 40 CHAB CCc1nnc2sc(-c3ccc4ccccc4c3)nn12 73639234 RGHSMLZZTGSHGL-UHFFFAOYSA-N 280.356 3.568 0 40 CHAB Cc1cc(C)cc(C(=O)c2cccc(C3OCCO3)c2)c1 43212558 WLSCCRKZVZVLDS-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB O=C(Cc1cccc(Cl)c1)NCc1ccc(Cl)cc1 223351391 CKIWIBUJSHNYPE-UHFFFAOYSA-N 294.181 3.852 0 40 CHAB C[C@@H]1CCn2c(nc3cc(C(F)(F)F)ccc32)C1 226251537 DURLYKAUGVGLDV-MRVPVSSYSA-N 254.255 3.637 0 40 CHAB O[C@@H](c1ccc(Br)cc1)c1ccc(F)c(F)c1 40243333 YDYHOEFIAYOJQK-ZDUSSCGKSA-N 299.114 3.809 0 40 CHAB COC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)C)cc1Cl 225593480 LKPTUPUGICBORW-SNVBAGLBSA-N 299.798 3.738 0 40 CHAB CCNC(=O)c1ccc(CSc2ccccc2)cc1 45165250 QIWNTWYPVHOVFG-UHFFFAOYSA-N 271.385 3.729 0 40 CHAB Fc1cc(Br)ccc1COCC1CC1 49601092 WIWWXGMFUQKXFB-UHFFFAOYSA-N 259.118 3.515 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N(C)C2CCCCC2)c1C 44903009 WJTZSZZAOUMMPW-OAHLLOKOSA-N 289.419 3.862 0 40 CHAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COC 224683072 NGWMATMVTXTPEC-UHFFFAOYSA-N 299.370 3.792 0 40 CHAB CC[C@@H](C)Oc1c(C)cc(-c2noc([C@H](C)N)n2)cc1C 95095354 HIWLJFGIBQNAPU-NEPJUHHUSA-N 289.379 3.550 0 40 CHAB Nc1ccccc1[C@H](O)CCc1ccc(Cl)cc1 242543485 KBMNYMZEEGMPEE-OAHLLOKOSA-N 261.752 3.588 0 40 CHAB CC(C)Oc1ccc(NC(=S)NC2CCCC2)cc1 134262369 MSKHNTFMZUJFHP-UHFFFAOYSA-N 278.421 3.703 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 5569843 KHRSAXBMJLFWDF-CWSCBRNRSA-N 294.192 3.824 0 40 CHAB CCOc1ccc(C(=O)CCNC2CCCCC2)cc1 5906819 OERMVXVCXCVKHT-UHFFFAOYSA-N 275.392 3.580 0 40 CHAB CCc1ccc(O[P@](C)(=O)Nc2cccnc2)cc1 12487057 CAKMZKSWKLZAJU-IBGZPJMESA-N 276.276 3.958 0 40 CHAB C=C(c1ccc(C)cc1)c1ccc(N2CCOCC2)s1 16291656 BUBNQRWJWFSGTL-UHFFFAOYSA-N 285.412 3.955 0 40 CHAB CCOC(=O)C/C(C(=O)O)=C(/C)c1ccc2ccccc2c1 1729270 NWVIFFYUDLSGPX-FOWTUZBSSA-N 298.338 3.651 0 40 CHAB CC(C)(C)SC[C@H]1CCCCN1C(=O)c1ccco1 390829676 FVZILNDAYVXFDA-GFCCVEGCSA-N 281.421 3.806 0 40 CHAB Cc1cc(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)[nH]1 23995379 RVOREOFTGVLLST-UHFFFAOYSA-N 298.386 3.542 0 40 CHAB CN(C)CCOc1cc(F)ccc1Oc1ccccc1 2037873274 FMBWRQVXQVHTSY-UHFFFAOYSA-N 275.323 3.558 0 40 CHAB CCCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 47464438 YWBKJYTZCJDEQV-SNVBAGLBSA-N 271.813 3.737 0 40 CHAB CCC[C@@H](C)C(=O)c1ccc(OCCN2CCCC2)cc1 575359258 ZKPDEPHNGJACHZ-OAHLLOKOSA-N 289.419 3.780 0 40 CHAB C[C@@H](CNC(=O)c1ccccc1Cl)c1ccccc1 223972 KLXLGIAAQJGJFA-LBPRGKRZSA-N 273.763 3.874 0 40 CHAB C[C@H](NC(=O)CCSC(F)(F)F)c1cccs1 40513803 YDRVSHYBOJKJFR-ZETCQYMHSA-N 283.340 3.568 0 40 CHAB Cc1occc1C(=O)Nc1ccc(Cl)c(F)c1 40122346 UBDUYWJNKCGRQN-UHFFFAOYSA-N 253.660 3.633 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc3c(ccn3C)c2)cc1 40268064 DERRYMNGBMWCRN-UHFFFAOYSA-N 292.338 3.633 0 40 CHAB CC[C@@H](C)c1ccc(O)c(NC(=O)c2cccnc2)c1 206270 LSGODVLTGNBJHP-LLVKDONJSA-N 270.332 3.553 0 40 CHAB Cc1cc(C)cc(OS(=O)(=O)c2ccc(F)c(C)c2)c1 32602098 MAIDPUQPPHTNGZ-UHFFFAOYSA-N 294.347 3.519 0 40 CHAB CC1CCC(N(C)C(=O)/C=C/c2ccc(F)cc2)CC1 32781089 RMHRHNUQZNZOCT-KPKJPENVSA-N 275.367 3.876 0 40 CHAB CC(C)c1ccc(OCc2ccc(C(=O)N(C)C)o2)cc1 115605 QEYUTLMCHVMIDQ-UHFFFAOYSA-N 287.359 3.684 0 40 CHAB CCc1ccccc1-n1c(=S)[nH]c2ccccc2c1=O 98127 AOAYKMHALLRULW-UHFFFAOYSA-N 282.368 3.611 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccccn1 396450 DWMMCEJXSJSCDA-UHFFFAOYSA-N 283.114 3.999 0 40 CHAB CCOC(CSc1cc2ccccc2[nH]1)OCC 1648654 XQSBNCPFMSWWID-UHFFFAOYSA-N 265.378 3.659 0 40 CHAB COc1cccc(NC(=O)CSc2ccc(F)cc2)c1 3598199 NQWKTOPRSIBFIG-UHFFFAOYSA-N 291.347 3.565 0 40 CHAB Cc1cc(C)c2[nH]c(=O)c(CN[C@@H]3CCCC[C@H]3C)cc2c1 4130497 MOVBEKVSGZJPOK-CXAGYDPISA-N 298.430 3.813 0 40 CHAB CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H]1O 4727029 VOFBBQZXUQXUQN-GVDBMIGSSA-N 284.440 3.608 0 40 CHAB in-vitro O=C(CCc1ccccc1)NCCCCc1ccccc1 2779521 BXZPSVQSTRNAKY-UHFFFAOYSA-N 281.399 3.758 0 40 CHAB CC(C)(C)C(=O)Nc1ccc(F)cc1Br 20430102 JHHHJOHNGAQJBR-UHFFFAOYSA-N 274.133 3.573 0 40 CHAB CC[C@]12C[C@H]3C[C@@](Br)(C1)C[C@@](C(=O)O)(C3)C2 100158687 MJKPKTLCKBPVQX-OJAKKHQRSA-N 287.197 3.585 0 40 CHAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)C1CC1 8727336 XTLHVPGYKXQCLF-QMMMGPOBSA-N 292.429 3.708 0 40 CHAB Cc1cc2c(cc1CCc1cc3c(cc1C)OCO3)OCO2 1403567 IMWZPPZOYCZESW-UHFFFAOYSA-N 298.338 3.546 0 40 CHAB CCOC(=O)c1cc2[nH]c3c(c2cc1Cl)CCCC3 1432957 LUWWOHOHRIRWNO-UHFFFAOYSA-N 277.751 3.877 0 40 CHAB COc1cc(Cl)c(C)cc1N1C=CC(C)(C)NC1=S 56659538 PPPQNQYMUAAIQT-UHFFFAOYSA-N 296.823 3.644 0 40 CHAB COc1ccc(NC(=O)CCc2cccc(C)c2)c(OC)c1 12621857 BPWSWIRYNJOREY-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB CC(C)C(NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(C)C 113943106 ABFGVTIQUSYFKF-LBPRGKRZSA-N 297.826 3.904 0 40 CHAB CCc1cccc(C)c1NC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O 103031499 CJDFSYFJGJHVCY-GJZGRUSLSA-N 299.414 3.891 0 40 CHAB C[C@H](Cc1c(F)cccc1F)NC(=O)C1CCCCCC1 58222794 NFBZESSICYPEFF-GFCCVEGCSA-N 295.373 3.982 0 40 CHAB CCCc1ccc(S(=O)(=O)Nc2ccsc2)cc1 72301064 WVZRSNHRTPBJSM-UHFFFAOYSA-N 281.402 3.501 0 40 CHAB CC(C)Cc1ccc(/C=C/C(=O)NCc2ccco2)cc1 2383638 IPRDQPRUNZPWDS-MDZDMXLPSA-N 283.371 3.808 0 40 CHAB CCCCC(=O)Nc1ccc2[nH]c(-c3cccnc3)nc2c1 71282935 JDRRUKSLTCOPSU-UHFFFAOYSA-N 294.358 3.754 0 40 CHAB Oc1ccc(Cl)cc1Nc1ncnc2sccc12 5938675 IFCZQVCBFYZCRV-UHFFFAOYSA-N 277.736 3.794 0 40 CHAB CCN(Cc1ccncc1)C(=O)c1ccc(C(C)C)cc1 7155848 DDDGPBDGLRHCCF-UHFFFAOYSA-N 282.387 3.867 0 40 CHAB COc1ccccc1N[C@@H](C)C(=O)c1c[nH]c2ccccc12 7987277 MSZPTWUILUWJES-LBPRGKRZSA-N 294.354 3.860 0 40 CHAB C[C@@H](Sc1ccccn1)C(=O)c1cc(F)ccc1F 69527884 XVGLXFZFXCJXDR-SECBINFHSA-N 279.311 3.723 0 40 CHAB O=C(O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 19810364 QHWZEPWFSIPEBN-UHFFFAOYSA-N 284.098 3.879 0 40 CHAB in-vitro C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc2c(c1)CCO2 84691864 VRQMBWWRVWSHOI-IUODEOHRSA-N 288.391 3.664 0 40 CHAB CC[C@H](Cc1ccc(C)cc1)N(C)c1ncnc2[nH]ccc12 89943646 GAYNOWGMXWZAQY-OAHLLOKOSA-N 294.402 3.724 0 40 CHAB COc1ccc(CCC(=O)c2ccc(OC)c(F)c2)cc1 35423925 MWTWIXXMEKLKNK-UHFFFAOYSA-N 288.318 3.658 0 40 CHAB Clc1ccc(Cc2nc3c4ccccc4ncn3n2)cc1 32117728 BYBSIHGVMUPDTL-UHFFFAOYSA-N 294.745 3.522 0 40 CHAB Nc1cc(Cl)cc(Br)c1N1CCCCC1 45886174 GISRHOPYAPWRLW-UHFFFAOYSA-N 289.604 3.675 0 40 CHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)cc1 225649147 KQXWRKXLMSBEKG-INIZCTEOSA-N 279.380 3.618 0 40 CHAB CCOC(=O)n1cc(Br)c2ccc(F)cc21 90471300 XJSQORMXTNNUFD-UHFFFAOYSA-N 286.100 3.548 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]21C 256446015 NLOZVXGMIXPBOU-IAMXYGRLSA-N 290.447 3.671 0 40 CHAB Fc1ccc(CN2CCC[C@@H]2c2cnccn2)c(Cl)c1 257225866 FIEVYVIGIOSXSF-OAHLLOKOSA-N 291.757 3.606 0 40 CHAB c1cc(CN2CCCC[C@@H]2c2ccncn2)c2cc[nH]c2c1 257261746 LIQVWFPSDZPCKQ-GOSISDBHSA-N 292.386 3.685 0 40 CHAB COc1ccc(CNCc2cc(C3CC3)nn2C(C)C)cc1 256050286 DMKLTFCPDMZBSL-UHFFFAOYSA-N 299.418 3.640 0 40 CHAB C[C@@H](NC(=O)c1ccoc1)c1cccc2ccccc12 15497109 PRSNMLAWEQCUPT-GFCCVEGCSA-N 265.312 3.924 0 40 CHAB O=C(O)c1ccc(Oc2nc3ccccc3s2)cc1 1711743 OSAFDKPQNFIGBA-UHFFFAOYSA-N 271.297 3.787 0 40 CHAB in-vitro CCOc1ccc(NC(=O)c2cccc(Cl)c2)c(N)c1 76859764 GSAVFXCYEKUDTP-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB FC1(F)Oc2ccccc2O[C@@H]1C1=CC=CCC1 91252124 WRYDVXMLHRMVFV-CYBMUJFWSA-N 250.244 3.696 0 40 CHAB CC[C@H](NCCn1cc(C)cn1)c1cccc(Cl)c1 89947854 RKOQBXYGPHTPSD-HNNXBMFYSA-N 277.799 3.586 0 40 CHAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1 4156563 DCCODUARUHSHBG-UHFFFAOYSA-N 286.722 3.860 0 40 CHAB Cc1cccc(OCc2ccc(C(=O)O)cc2)c1C 5592304 JJLYYFHEMDPPQB-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB O=[N+]([O-])/C=C\c1cccc(OCc2ccccc2)c1 13407377 XFBMDILDMJAPDU-KTKRTIGZSA-N 255.273 3.513 0 40 CHAB CC1(C)O[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2O1 17780256 OGYWZLRKXZWQGH-OWCVQMPJSA-N 278.351 3.798 0 40 CHAB COc1ccc([C@H](C)NC(=O)Cc2cc(C)ccc2C)cc1 19931833 SJMYZHCJTKFYAB-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB Cc1cn(C)c([C@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 1848352222 RGBVIRSAEGKSDQ-QGZVFWFLSA-N 294.402 3.547 0 40 CHAB Brc1ccc(-c2ccc(CNC3CC3)o2)cc1 7524941 CYFQSVCEBZOKDM-UHFFFAOYSA-N 292.176 3.961 0 40 CHAB O=S(=O)(c1ccccc1)c1ccc(Cl)c(Cl)c1 40510 ZJCAPFUTIZDMBS-UHFFFAOYSA-N 287.167 3.826 0 40 CHAB Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1 77268 CJRRQOSSOBTZFE-UHFFFAOYSA-N 289.404 3.747 0 40 CHAB COc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 31107622 ATNOQLRXBPCHGH-UHFFFAOYSA-N 293.366 3.625 0 40 CHAB c1ccc(-c2nnc(-c3cc4ccccc4o3)o2)nc1 20737710 QINRUDSVRCVJQD-UHFFFAOYSA-N 263.256 3.545 0 40 CHAB Cc1cccc(Cn2cc(C(=O)O)c3ccccc32)c1 21511191 CETDHQSRPHFAEU-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB CC1(C)O[C@H](c2ccccc2)[C@@H]2C[C@H]1CC[C@@]2(C)O 1057582 LEVCRGWPKKRIOU-JYYAWHABSA-N 260.377 3.704 0 40 CHAB C[C@@H]1CCc2c(nc3sc4c(c3c2N)CCCC4)C1 3213761 NHXKBWDWRQKPLQ-SECBINFHSA-N 272.417 3.882 0 40 CHAB O=C(Nc1cccc2ccccc12)N1CCCC[C@H]1CCO 6864959 HFLCIWHRCGZLAW-HNNXBMFYSA-N 298.386 3.609 0 40 CHAB COc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1F 51354453 OJRPJIPYASPFSM-UHFFFAOYSA-N 296.248 3.757 0 40 CHAB Cc1cccc(CNC(=O)/C=C/c2ccccc2Cl)c1 10447434 IWKOMFWZSPRHEC-MDZDMXLPSA-N 285.774 3.978 0 40 CHAB CCn1c(NC(=O)c2ccc(C)s2)nc2ccccc21 10651408 ZWCYJEFAOIYEOU-UHFFFAOYSA-N 285.372 3.678 0 40 CHAB Cc1ccc(/C=C/c2n[nH]c(-c3ccccc3O)n2)cc1 24543500 ALVQWQBAVMEJES-ZHACJKMWSA-N 277.327 3.656 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)C=C2C(=O)Oc1ccccc1 100363120 FIFOOLNKMDNDOS-YOEHRIQHSA-N 256.345 3.975 0 40 CHAB CCCc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 43209775 ABTMGXCVFXMELF-UHFFFAOYSA-N 282.339 3.795 0 40 CHAB CCOc1ccccc1ON(CC)Cc1ccccc1 105429170 GOEYGVVJTDUJDN-UHFFFAOYSA-N 271.360 3.901 0 40 CHAB COc1ccc(-c2c[nH]c(=S)n2CC(C)C)cc1 26424341 HKUOPKLMZARTGI-UHFFFAOYSA-N 262.378 3.877 0 40 CHAB Brc1c(-c2ccccn2)[nH]c2ccccc12 26466318 XLXMYUBGJOJCTM-UHFFFAOYSA-N 273.133 3.992 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)N1CCCCCC1 20238424 GTQIHWNZANVHLI-ZDUSSCGKSA-N 263.406 3.570 0 40 CHAB CCOC(=O)c1ccccc1-c1ccc(OC)cc1 26897542 ZIFCEGMYRZZOLS-UHFFFAOYSA-N 256.301 3.539 0 40 CHAB COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 11202392 IKTOEDGMXZDARL-QGZVFWFLSA-N 281.355 3.576 0 40 CHAB CC(=O)Nc1ccc(NC(=O)C[C@H]2C=CCC2)cc1Cl 12737219 NODHXACKAQEXMX-NSHDSACASA-N 292.766 3.593 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1cccc(CN2CC=CC2)c1 2515422 UNWADVFZJBDSSG-UHFFFAOYSA-N 299.320 3.568 0 40 CHAB CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2F)s1 48332049 HCAAHXKBLIGNTH-VIFPVBQESA-N 291.347 3.581 0 40 CHAB CCCCc1ccc(C(=O)Nc2nnc(CC)s2)cc1 12863258 MBBUUQJMCJYMBV-UHFFFAOYSA-N 289.404 3.695 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 8369666 SJOODRDGJDNFBQ-UHFFFAOYSA-N 284.315 3.676 0 40 CHAB O=C(CSc1nncs1)c1ccc2ccccc2c1 5054566 WFSNJHIXFUCYLX-UHFFFAOYSA-N 286.381 3.666 0 40 CHAB CCOCc1cccc(NC(=O)c2ccccc2COC)c1 69536735 QLHVDCOHFIGMNS-UHFFFAOYSA-N 299.370 3.622 0 40 CHAB Cc1ccc(OCCCn2nnc3ccccc32)cc1C 4487656 SNADCANJMYUKOK-UHFFFAOYSA-N 281.359 3.517 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1 9157251 KKXPUVBKCHYLNY-UHFFFAOYSA-N 284.359 3.831 0 40 CHAB CCN(C(=O)c1cc(OC)no1)c1cccc2ccccc12 97108777 SUPSONJEPBLFKG-UHFFFAOYSA-N 296.326 3.503 0 40 CHAB C[C@@H](N)Cc1cn(Cc2ccccc2)c2ccc(F)cc12 9422097 IMCYGPKIVVEORV-CYBMUJFWSA-N 282.362 3.718 0 40 CHAB C[C@@H](NCc1cc[nH]c1)c1ccccc1Br 72302963 SXSHQFHMFUZTTD-SNVBAGLBSA-N 279.181 3.628 0 40 CHAB CCN(Cc1ccc(OC)s1)C1CCCCC1 95453797 IXSGKFBSXFJMNW-UHFFFAOYSA-N 253.411 3.911 0 40 CHAB COc1c(C)cnc(CSCc2nccs2)c1C 95991026 GFIQVNPGWDAPQZ-UHFFFAOYSA-N 280.418 3.597 0 40 CHAB C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C1CCCC1 75107417 BAKJQOJZUFJJLZ-CJNGLKHVSA-N 257.377 3.581 0 40 CHAB Fc1ccccc1[C@@H](NCc1ncc[nH]1)C1CCCC1 89813202 NBUFANICEHXCIY-INIZCTEOSA-N 273.355 3.570 0 40 CHAB COc1ccc(OC)c(-c2csc(C3CC3)n2)c1 32808926 JSGHIQZNZWSDAK-UHFFFAOYSA-N 261.346 3.705 0 40 CHAB CCCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 35576746 YARKSZQSDLYPST-SFHVURJKSA-N 269.388 3.979 0 40 CHAB CC1CCN([C@@H](CN)c2ccc(Cl)cc2Cl)CC1 39142591 QAMHRNGQTWMTMW-AWEZNQCLSA-N 287.234 3.725 0 40 CHAB c1ccc(COc2ncccc2C2=NCCCC2)cc1 72212090 HAXIWFLLYPUHFL-UHFFFAOYSA-N 266.344 3.634 0 40 CHAB CNc1cc(C)c([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72219037 ZMQJGEHXEZQRGT-ZDUSSCGKSA-N 291.395 3.504 0 40 CHAB CCc1ccc(CC(=O)NCCCc2cccc(C)c2)cc1 225020055 GVILHBKOBKMSKN-UHFFFAOYSA-N 295.426 3.849 0 40 CHAB CC[C@H](C)[C@@H](C)NCc1ccccc1Br 42419223 WDTWUBOMMXEIHP-WDEREUQCSA-N 270.214 3.973 0 40 CHAB CCc1ccccc1NC(=O)c1cnc(C(C)C)nc1C 222569736 BANULZXXUMOMBW-UHFFFAOYSA-N 283.375 3.723 0 40 CHAB C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc(Cl)s2)[nH]n1 194586435 NULWPTOXIOSGBM-RNFRBKRXSA-N 281.768 3.500 0 40 CHAB CC(=O)c1cc(Cl)ccc1NC(=O)OC(C)(C)C 199831444 HVWMGJPJKROZAX-UHFFFAOYSA-N 269.728 3.890 0 40 CHAB COCc1ccc(SCc2c(C)noc2C)cc1 96447846 XUYCIGWAMOJYQJ-UHFFFAOYSA-N 263.362 3.730 0 40 CHAB CCOc1ccc2[nH]c(C3CC3)c(C(C)C)c(=O)c2c1 685938121 KDNOILKIEPKIHK-UHFFFAOYSA-N 271.360 3.928 0 40 CHAB C[C@H]1CCN(C(=O)c2ccco2)c2ccccc2S1 57504054 PDTKPLMYSDLEKB-NSHDSACASA-N 273.357 3.811 0 40 CHAB COc1ccc(NC(=O)/C=C/c2ccc(C)cc2)c(OC)c1 226936 BXEDJRYNRFBFHC-DHZHZOJOSA-N 297.354 3.664 0 40 CHAB biogenic COc1ccc(OC)c(CC(=O)Nc2cccc(C)c2C)c1 5240566 RBDYUIVVXCCDDT-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB C[C@@]12CCC[C@@]1(O)[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@@H]1CC2 2049238338 HSOALUOHWZYSOE-ZOVJDJALSA-N 290.447 3.815 0 40 CHAB CC(C)CN(CC(C)C)C1=CC(=O)OC12CCCCC2 36323 XZRJAXISLOPLSS-UHFFFAOYSA-N 279.424 3.744 0 40 CHAB CC(C)c1nnc2sc(-c3cccc(Cl)c3)nn12 13494613 AFLJBFWCVQUDML-UHFFFAOYSA-N 278.768 3.630 0 40 CHAB c1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@H]2NCc2cccnc2)cc1 19373735 GWXPQEXEPYMTMU-INDMIFKZSA-N 278.399 3.754 0 40 CHAB Cc1ccc(-c2nc3cc(C(=O)O)ccc3o2)cc1 20222860 RCJFUQXKOKXYMH-UHFFFAOYSA-N 253.257 3.501 0 40 CHAB Cc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 181073 JJBWKLIVYBUDEZ-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB COc1ccc(CCNc2ncnc3ccc(C)cc23)cc1 32540845 HYEROEMLMQETBW-UHFFFAOYSA-N 293.370 3.601 0 40 CHAB O=C(Oc1ccc2cc(Br)ccc2c1)C1CC1 364420 RLCUUWOZVHQCLL-UHFFFAOYSA-N 291.144 3.918 0 40 CHAB CC(=O)N(Cc1ccco1)C[C@H]1[C@H](C)C=C(C)C[C@H]1C 485673 UYZWGOWZOGYDPO-CPUCHLNUSA-N 275.392 3.867 0 40 CHAB O=C(c1ccc(O)c(Cl)c1)N1CC[C@@H]2CCCC[C@H]2C1 32845338 IOHSTBGPPGIDDJ-AAEUAGOBSA-N 293.794 3.698 0 40 CHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccccc3)[C@@H]1[C@@H]2C 519332 PLYQNNOXZOYWGG-YECZKDOJSA-N 272.388 3.585 0 40 CHAB biogenic Cc1ccc2c(c1)[C@H]([C@@H]1Cc3cccc(C)c3C1=O)OC2=O 1646144 OSURRXSQPWVEJI-CRAIPNDOSA-N 292.334 3.570 0 40 CHAB CNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 2867739 RURUWQRGDXQPKB-UHFFFAOYSA-N 276.339 3.570 0 40 CHAB Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1C 3264885 SRSVVANDZXDCJR-UHFFFAOYSA-N 286.400 3.891 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(F)ccc1C 3418005 YCQSYBSSFCHVMQ-MRXNPFEDSA-N 287.334 3.930 0 40 CHAB Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(C)n1 4054401 BDNAUPMDPUUFOE-UHFFFAOYSA-N 294.276 3.970 0 40 CHAB 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 4027446 WDTAJXMIXADUTH-QFIIDBSYSA-N 291.479 3.717 0 40 CHAB biogenic CCCNC(=O)c1cc2sccc2n1Cc1ccccc1 4971012 UVMZOALAYLBOKO-UHFFFAOYSA-N 298.411 3.891 0 40 CHAB O=C(CSCCCCCCO)c1ccc(Cl)cc1 6505976 LZVRBUBLIWJELS-UHFFFAOYSA-N 286.824 3.809 0 40 CHAB COC[C@H](C)Nc1nc(-c2cc(F)ccc2F)cs1 7763390 ONXLTPRDWHMXTB-QMMMGPOBSA-N 284.331 3.535 0 40 CHAB COC[C@@H](C)Nc1nc(-c2cc(F)ccc2F)cs1 7763391 ONXLTPRDWHMXTB-MRVPVSSYSA-N 284.331 3.535 0 40 CHAB COc1ccccc1CNC(=O)/C=C/c1ccc(C)cc1C 22058926 GCCXQWDVBHYHKI-ZHACJKMWSA-N 295.382 3.642 0 40 CHAB CC(=O)c1c(OC(=O)c2ccccc2)c2ccccc2n1C 546512 HUBDNFYBFGRRNU-UHFFFAOYSA-N 293.322 3.600 0 40 CHAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1N 8410187 VYMYYCMHJRAJLF-UHFFFAOYSA-N 268.316 3.702 0 40 CHAB CCc1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 20492606 RYIQBZQYJWGSEI-CYBMUJFWSA-N 299.370 3.664 0 40 CHAB CCN(CC)C(=O)/C(=C/c1ccco1)c1ccccc1 28219540 FQPZJJDIZATWBE-DTQAZKPQSA-N 269.344 3.689 0 40 CHAB Cc1cccnc1NC(=O)c1csc2ccccc12 12536842 UEPPKIOYRVPPKD-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB O=C(O)c1ccc(Sc2ccc(Cl)cc2)o1 26442184 BKWAAVNVNRWIPN-UHFFFAOYSA-N 254.694 3.782 0 40 CHAB COc1ccc(NC2=Nc3ccccc3SC2)cc1 26509170 IRWSNKSAFONACI-UHFFFAOYSA-N 270.357 3.943 0 40 CHAB CCC(=O)Oc1c(-c2ccc(C)cc2)csc1N 101324120 YBSHPLYTBRSDQS-UHFFFAOYSA-N 261.346 3.621 0 40 CHAB CCOc1ccccc1C(=O)N[C@@H](C)c1ccc(F)cc1 3342213 APFIDZMXVQQQSY-LBPRGKRZSA-N 287.334 3.715 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCC2 12998177 LVCQENRLRICAOV-UHFFFAOYSA-N 281.355 3.745 0 40 CHAB O=C1c2ccccc2N[C@H](c2ccco2)N1C1CCCC1 8719570 FPRWXGHEYVGHSB-INIZCTEOSA-N 282.343 3.789 0 40 CHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc(F)c1)C2 13004742 QTKZJIFUXIXMGG-OAHLLOKOSA-N 287.359 3.790 0 40 CHAB Fc1ccc(SCc2noc(C3CC3)n2)cc1F 64653116 FRTNWCCBJMCYNW-UHFFFAOYSA-N 268.288 3.518 0 40 CHAB CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCC[C@@H](C)[C@@H]1C 13896374 FVGXVARSBZSODC-DLTLXFJOSA-N 292.467 3.706 0 40 CHAB Cc1cccc(-c2nnc([C@@H](C)N3CCC[C@H](C)C3)o2)c1 39987670 CRUFHUTXHPBMPW-UONOGXRCSA-N 285.391 3.838 0 40 CHAB CCOc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1C 65607488 ZWONSGXJACDDFJ-ZDUSSCGKSA-N 299.374 3.671 0 40 CHAB Cc1cc(NC(=O)CC(C)(C)C)n(-c2ccc(F)cc2)n1 28220033 KJMSBBBZDYZBTC-UHFFFAOYSA-N 289.354 3.695 0 40 CHAB COc1ccccc1NC(=O)c1ccc(Cl)s1 9364011 UATZTGKBYPQYER-UHFFFAOYSA-N 267.737 3.662 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1cccc2cnccc12 7655239 ROZCFXSYSCPTOQ-MDZDMXLPSA-N 274.323 3.887 0 40 CHAB Cc1nc(CN(Cc2ccccc2)Cc2ccccc2)no1 96286619 YQHUUFCFARCNBH-UHFFFAOYSA-N 293.370 3.580 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2cccc(C)c2)s1 7756318 WHKSQHMHLWQFCH-UHFFFAOYSA-N 259.330 3.511 0 40 CHAB Cc1cc(COC(=O)c2c(C)nc3ccccc3c2C)no1 7711202 DGLAQPRKWQNYNR-UHFFFAOYSA-N 296.326 3.505 0 40 CHAB Cc1ccc(N[C@@H](c2cccc(C)c2)P(=O)(O)O)cc1 24769591 VWSLPJQOQNPAPB-OAHLLOKOSA-N 291.287 3.592 0 40 CHAB COc1ccc(C)cc1NC(=O)c1sccc1C 7971437 UNZSOLOXEZTFMK-UHFFFAOYSA-N 261.346 3.626 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)o1 8111459 UIBFGRPQGHPBHC-WBZJUKLNSA-N 293.322 3.748 0 40 CHAB N[C@@H](Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 21015758 BIXMJSZZOSNAGV-AWEZNQCLSA-N 299.761 3.633 0 40 CHAB CCCCn1nc(C)c2c(C(F)F)cc(C)nc21 16989296 LTWDNBUPVLBEJR-UHFFFAOYSA-N 253.296 3.786 0 40 CHAB CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1nccs1 69514834 BDCFYHGNHAVRCR-RYUDHWBXSA-N 292.791 3.563 0 40 CHAB FC(F)(F)c1ccnc(NC2CCCCCC2)n1 70250151 ZSYOZMPDBWGNPS-UHFFFAOYSA-N 259.275 3.630 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)c1C 20459051 XYQVYLWSRKEGAV-HNNXBMFYSA-N 291.435 3.868 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(F)c(F)c1 22572193 FBKIPICMFWEONQ-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB Cc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1 67798761 PIRYLWMLMGYWQK-UHFFFAOYSA-N 273.763 3.507 0 40 CHAB Cc1ccc(NC(=O)c2cccc3ccccc23)c(N)c1 37064596 BZFWLOKZEHSBCA-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB CCc1ccc(C(=O)Nc2c(C)cc(C)cc2N)cc1 70462811 GMQCUTWVRSXHND-UHFFFAOYSA-N 268.360 3.700 0 40 CHAB CCCCOc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 225170304 SOKGFMQEYUVEBR-RHSMWYFYSA-N 277.408 3.695 0 40 CHAB Cc1ccc(-c2nc(-c3ccc(N)cc3Cl)no2)cc1 225175550 JNMXMPYUVAGUCW-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB O=Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12 49881218 KBGXIZAOJCEYDM-UHFFFAOYSA-N 283.714 3.796 0 40 CHAB CC(C)CNCc1cccn1-c1cccc(Cl)c1 223684984 DUDSBFFMLXPARF-UHFFFAOYSA-N 262.784 3.876 0 40 CHAB CC[C@@H]1CCCC[C@H]1OC(=O)CSc1ccncc1 97039676 NVSUDNMRHYBVMB-TZMCWYRMSA-N 279.405 3.686 0 40 CHAB CCc1ccccc1C(=O)c1ccc(F)c(OC)c1 95916896 LEOYITYFDYNDJW-UHFFFAOYSA-N 258.292 3.628 0 40 CHAB Cn1cc(-c2nc(-c3ccc4c(c3)CCC4)cs2)cn1 48356520 BFHDXBNBMJXYRX-UHFFFAOYSA-N 281.384 3.699 0 40 CHAB O=C(CC1CCCC1)N[C@@H](c1ccccc1)c1ccccn1 69292692 QPPIPWOIZRQBMH-IBGZPJMESA-N 294.398 3.868 0 40 CHAB CCOc1ccc(OC(F)(F)F)cc1Br 16158920 TUATZBRJLHRCCS-UHFFFAOYSA-N 285.059 3.746 0 40 CHAB CCn1c(C)cc(C(=O)NC2CCCCCC2)c1C 12607954 ZBPGBECORLNATR-UHFFFAOYSA-N 262.397 3.577 0 40 CHAB Cc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 13788561 LDZPRUDMPLOVAG-UHFFFAOYSA-N 286.356 3.533 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1F 17963773 UFCYQJIMMZXVJX-GFCCVEGCSA-N 287.334 3.634 0 40 CHAB O=C(c1ccccc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009170 XCPIEHKZURMJMX-IRXDYDNUSA-N 267.372 3.790 0 40 CHAB Cc1ccc2oc(C(=O)Nc3ccccc3C)cc2n1 8793829 XKGROPVHFQGXRM-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CC(C)(CNc1ncc(Cl)cn1)c1ccsc1 1775969865 PDPSNAYPBNOLJV-UHFFFAOYSA-N 267.785 3.581 0 40 CHAB Cc1cc2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc2[nH]1 40087319 WVKPKDSHGVIIHB-UHFFFAOYSA-N 290.326 3.605 0 40 CHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 311198 KIOZEHLLWAPETJ-MRXNPFEDSA-N 269.344 3.828 0 40 CHAB NC1(c2noc(C3CCCCC3)n2)CCCCCC1 41155544 NFHDXADYNWNHFK-UHFFFAOYSA-N 263.385 3.626 0 40 CHAB in-vitro Cc1ccsc1CNC(=O)c1c(F)cccc1Cl 147848 BDVRKPQXNPUEFO-UHFFFAOYSA-N 283.755 3.779 0 40 CHAB CC(=O)C(CCCN(C)C)(c1ccccc1)c1ccccc1 1577619 HOJTUKADSAKTEA-UHFFFAOYSA-N 295.426 3.904 0 40 CHAB CC(C)C(=O)OCCOc1ccc(C(C)(C)C)cc1 1596173 HHCPPKRNAXWWNG-UHFFFAOYSA-N 264.365 3.562 0 40 CHAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(C)cc1 1937507 KKNJVYCOWSWPLW-PKNBQFBNSA-N 281.355 3.964 0 40 CHAB CCCCOC(=O)C[C@@H](c1ccccc1)N1CCCCC1 4212244 WQDZHQZKJMNOAY-KRWDZBQOSA-N 289.419 3.947 0 40 CHAB in-man C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1 579668 SNSNBINMIRPJBY-LLVKDONJSA-N 275.735 3.746 0 40 CHAB CCOc1ccc(CNC2CCCCC2)cc1OC 8324683 WTVHMQKWEVRQOC-UHFFFAOYSA-N 263.381 3.516 0 40 CHAB COc1cccc(CN[C@H](C)c2ccccc2)c1OC 8535346 PRTDGVOHVUYRHI-CYBMUJFWSA-N 271.360 3.555 0 40 CHAB CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(OC)cc1 20042130 SQANGSYVGSOZON-GOSISDBHSA-N 297.398 3.895 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc23)n1C 23434061 ZKSHVEHNFDXRNZ-AWEZNQCLSA-N 292.382 3.978 0 40 CHAB Clc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1 1020522 YOLSZCDGNJWZDU-UHFFFAOYSA-N 267.719 3.627 0 40 CHAB Fc1ccc(-c2nnc(NCc3ccco3)s2)cc1 28241853 XBPPHWJQICLECR-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB CC(C)NC(=O)c1cc2cc3ccccc3nc2s1 1399185 VOJCKPWLRVVDBX-UHFFFAOYSA-N 270.357 3.588 0 40 CHAB CCN(Cc1nc(C2CC2)no1)Cc1ccc(Cl)s1 44000002 VKPZFBPUQCKERX-UHFFFAOYSA-N 297.811 3.684 0 40 CHAB C[C@@H](SCc1csc(-c2ccccc2)n1)C(=O)O 3235993 WFNIYYBGSXOWTN-SECBINFHSA-N 279.386 3.516 0 40 CHAB Cc1ccc(CNC(=O)c2cccc(OC(F)F)c2)cc1 3279569 XTZKORXMLOZQAN-UHFFFAOYSA-N 291.297 3.526 0 40 CHAB O=C(Cc1ccccc1)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 104026244 XXQJYZFLCGZQNN-DMRKSPOLSA-N 270.372 3.597 0 40 CHAB Fc1cc(F)cc(NCc2nc(-c3ccsc3)no2)c1 44897057 HVWMKFIBXVETLB-UHFFFAOYSA-N 293.298 3.688 0 40 CHAB CC1(C)O[C@H](c2ccccc2)[C@H]2C[C@H]1CC[C@]2(C)O 100741424 LEVCRGWPKKRIOU-ANQUJSFKSA-N 260.377 3.704 0 40 CHAB CCCCc1nc(Cl)nn1-c1ccc(Cl)cc1 22125711 RQUUCVQCTDKKLH-UHFFFAOYSA-N 270.163 3.917 0 40 CHAB O=Cc1cc(Br)ccc1COc1ccccc1 3335910 BPLNUJODFFCYSF-UHFFFAOYSA-N 291.144 3.841 0 40 CHAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccsc1 12821515 FMLKTYHACGRTPA-NXEZZACHSA-N 277.311 3.599 0 40 CHAB CCOc1ccccc1Nc1nnc(SCC)s1 3470198 FFOKIAREJJYFFL-UHFFFAOYSA-N 281.406 3.792 0 40 CHAB CS[C@H](C)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 48706566 SJQCDWPWKOLGQQ-SECBINFHSA-N 296.417 3.710 0 40 CHAB Cc1nc(N2CCCC2)c2oc3ccc(Cl)cc3c2n1 5218291 ORPTXVANJPLBRG-UHFFFAOYSA-N 287.750 3.938 0 40 CHAB CC(C)(C)c1cnc(CN2CCC[C@@H](C(F)(F)F)C2)o1 65501303 PLQDFHHXYGRSIK-SNVBAGLBSA-N 290.329 3.746 0 40 CHAB CC(C)(C)NC(=O)NCCC12CC3CC(CC(C3)C1)C2 4577398 ASAOIRWNBHPGCM-UHFFFAOYSA-N 278.440 3.691 0 40 CHAB COc1ccccc1C(C)(C)NCc1cccs1 71799216 KCGYKJCSVURATN-UHFFFAOYSA-N 261.390 3.782 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)C 6759920 OPQNNWYQISAQJL-UHFFFAOYSA-N 274.389 3.504 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCCC[C@@H]1C 6964416 OCEPDGUSODCJRQ-XJKSGUPXSA-N 284.403 3.645 0 40 CHAB CCCc1nnc(NC(=O)c2cccc3ccccc23)s1 17249387 FKZGLJLLWQONEM-UHFFFAOYSA-N 297.383 3.896 0 40 CHAB c1ccc(C(NCc2ccccn2)c2ccccc2)cc1 19957954 IPXODEBOYNZWTB-UHFFFAOYSA-N 274.367 3.961 0 40 CHAB C[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 22540203 ABZWGIOFTLNWRG-QMMMGPOBSA-N 297.251 3.734 0 40 CHAB Cc1nc(CN(CCc2cccc(F)c2)C2CC2)oc1C 71905300 WEWNWLUFYKDLOH-UHFFFAOYSA-N 288.366 3.638 0 40 CHAB Cc1nnc(CSCc2csc(C3CCCC3)n2)o1 97014565 OFYYSYMPPXAWAV-UHFFFAOYSA-N 295.433 3.926 0 40 CHAB Cc1ccc([C@H](C)N[C@H](CO)c2ccc(Cl)cc2)o1 89210640 WJHLALOATKLEGC-SMDDNHRTSA-N 279.767 3.626 0 40 CHAB Fc1ccc(-n2ncc3c2-c2ccccc2CC3)cc1 26897143 OTCHVKAGRFQYOF-UHFFFAOYSA-N 264.303 3.777 0 40 CHAB O=C(COc1ccccc1)c1cc(Br)cs1 309209658 FQNUJZLNRJGVLK-UHFFFAOYSA-N 297.173 3.772 0 40 CHAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C)C3)n2)c1 72348567 ADWGYSTZYWEQKD-QGZVFWFLSA-N 280.415 3.790 0 40 CHAB Clc1cccc(CN2CCCC[C@H]2c2ccncn2)c1 72385350 AUELQCJDFPNPQM-INIZCTEOSA-N 287.794 3.857 0 40 CHAB O=C(O)Cc1ccc(-c2nc3ccccc3o2)cc1Cl 41127232 LVXGCUKZRRFPNI-UHFFFAOYSA-N 287.702 3.775 0 40 CHAB CC[C@H](C)n1c([C@H](C)O)nc2ccc(Cl)cc21 40407665 UBEVUIKAMMMALH-IUCAKERBSA-N 252.745 3.714 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N2CCCC(C)(C)C2)c1C 44849906 WHSNGKAPFSRIAN-OAHLLOKOSA-N 289.419 3.719 0 40 CHAB Brc1cccc(-c2ccc3c(c2)OCO3)c1 84197307 CKMUWTDUPGLWAC-UHFFFAOYSA-N 277.117 3.845 0 40 CHAB Cc1cc(Br)cc2c(=S)cc[nH]c12 95095274 ATUUIFNZECYRHH-UHFFFAOYSA-N 254.152 3.968 0 40 CHAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C=O)cc2)n1 91695250 MZVBFCOLHAXXCS-UHFFFAOYSA-N 294.276 3.646 0 40 CHAB CC(C)n1cc([C@H](C)NC[C@H](C)c2cccs2)cn1 95422763 VHAKQNZQLUUHTP-STQMWFEESA-N 277.437 3.980 0 40 CHAB Nc1ccccc1OCc1csc(C2CCC2)n1 96528650 UWOPMKSQICRHKB-UHFFFAOYSA-N 260.362 3.572 0 40 CHAB NCCCC(c1ccc(F)cc1)c1ccc(F)cc1 34080037 WCBVVQJSZZESAF-UHFFFAOYSA-N 261.315 3.836 0 40 CHAB CC(C)CCC(=O)N[C@H](c1ccccc1)C(F)(F)F 59301631 BCUZSCZQWGPEHC-CYBMUJFWSA-N 273.298 3.842 0 40 CHAB CCOC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 13566303 FDEWBGPVHBKZJP-CYBMUJFWSA-N 275.348 3.569 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(OC)c(F)c1 18119040 HEHMBOCAQQRXDO-UHFFFAOYSA-N 273.307 3.649 0 40 CHAB Cc1ccc(N)cc1NC(=O)c1cccc2ccccc12 19279635 FSOGXTGJBPWJFY-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB CC(C)(C)NC(=O)c1ccccc1OCc1ccccc1 8101840 VYMPAUFABPVKSW-UHFFFAOYSA-N 283.371 3.794 0 40 CHAB O[C@H]1CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 37489623 XCIJQGOMBGCEDC-MOPGFXCFSA-N 281.399 3.602 0 40 CHAB C[C@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1 1433934 CEDPTGRLCXOSGS-RDRICISKSA-N 265.356 3.620 0 40 CHAB CC(=O)c1sc(Cc2cccc(Cl)c2)nc1C 40086293 JGSIDVFFWIUVPH-UHFFFAOYSA-N 265.765 3.898 0 40 CHAB O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1CC=CCC1 40111350 XXEOJRGVQXEWKW-SNVBAGLBSA-N 274.345 3.698 0 40 CHAB CCc1ccc(C(=O)N(CC)CCC(F)(F)F)cc1 69625730 GIIQPJAGQKGGCR-UHFFFAOYSA-N 273.298 3.664 0 40 CHAB COc1cc([C@H]2OC[C@@H]3[C@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1O 519427 SOHWVJPJRLXISV-RCOZHRDHSA-N 288.387 3.937 0 40 CHAB Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1C2=O 1698866 JOZVNZPUIPRALA-UHFFFAOYSA-N 264.111 3.787 0 40 CHAB COc1ccc(CN[C@H]2C[C@H](C)c3ccccc32)cc1O 78553784 YVFRZIVDPQVFBE-LRDDRELGSA-N 283.371 3.739 0 40 CHAB COc1ccc(C(=O)Nc2cc(C)nc3ccccc23)cc1 3136203 IJLFMBZOXQOJMW-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB Cc1ccc(C(=O)CCC(=O)N[C@H]2CCCC[C@@H]2C)s1 21875493 KGWNITOXVOHCDR-AAEUAGOBSA-N 293.432 3.714 0 40 CHAB CCCCCCNC(=S)NC12CC3CC(CC(C3)C1)C2 6203363 YPILGOUEEGPEKI-UHFFFAOYSA-N 294.508 4.000 0 40 CHAB Cc1nc(SCc2ccccc2)nc2c1CCCC2 532386 KJZUEFQOKIXDIC-UHFFFAOYSA-N 270.401 3.956 0 40 CHAB Cc1ccc(C)c(CC(=O)Nc2ccc(F)cc2F)c1 10700987 JWKAKVZRIDVAQQ-UHFFFAOYSA-N 275.298 3.763 0 40 CHAB c1ccc(C/N=c2/sccn2Cc2ccccc2)cc1 104097708 VZVOCELYIZNDEG-ISLYRVAYSA-N 280.396 3.699 0 40 CHAB Cc1cc(NC(=O)c2oc3ccccc3c2C)ccn1 8161084 IXEOKAQSKIJZDX-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CCOc1cccc(NC(=O)COc2ccc(C)cc2C)c1 9816314 AVCFQHOURTUPKS-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB COc1cc(Cl)ccc1NCc1cn2ccccc2n1 12418981 MSFSNPBWTRZDKW-UHFFFAOYSA-N 287.750 3.608 0 40 CHAB Cn1c(-c2ccc(Cl)nc2)nc2cc(Cl)ccc21 1384982 AAXBLNPDOJYRBX-UHFFFAOYSA-N 278.142 3.942 0 40 CHAB CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCc2ccccc21 107329837 IVBGKUJASUZVAX-CSFVBSKPSA-N 269.388 3.569 0 40 CHAB CC(=O)[C@@H](C)Sc1ccc(Br)cc1 35182763 GRGPYUUHCZUIMU-MRVPVSSYSA-N 259.168 3.519 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1 22517844 CSYAIZVCUFXNPX-AWEZNQCLSA-N 253.345 3.794 0 40 CHAB O=C(c1cccc(CN2CC=CC2)c1)c1ccccc1Cl 2515406 BZPCMCGQCDZMHU-UHFFFAOYSA-N 297.785 3.943 0 40 CHAB Cc1cc(C(F)(F)Cl)nc(-c2ccccc2)n1 4059965 GJHFFRDVBLZGRN-UHFFFAOYSA-N 254.667 3.740 0 40 CHAB COc1ccccc1[C@@H](CCN)c1ccc(OC(C)C)cc1 4029779 PMQPGWCCKNSQFC-KRWDZBQOSA-N 299.414 3.963 0 40 CHAB biogenic O=C1CCC[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]12 4041279 RFCMYEBTZKSRRN-QYZOEREBSA-N 293.366 3.917 0 40 CHAB Cc1cccc(-c2cc3nc4c(c(Cl)n3n2)CCC4)c1 13562648 LOEVTARPTCCVCY-UHFFFAOYSA-N 283.762 3.847 0 40 CHAB CN(Cc1ccsc1)C(=O)NCc1ccc(Cl)cc1 8709574 ATZIJSPTOHKERA-UHFFFAOYSA-N 294.807 3.743 0 40 CHAB Cc1noc(C)c1[C@H](C)C(=O)NC1(c2ccccc2)CCC1 65515512 SXFVGSHTYHTSAD-LBPRGKRZSA-N 298.386 3.591 0 40 CHAB COc1cccc2[nH]c(C(=O)N[C@@H](C)c3ccccc3)cc12 5304773 BRQNMBXHAQRIOV-LBPRGKRZSA-N 294.354 3.668 0 40 CHAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)C1CC1 14395995 FIAIDOWUOPMVNU-UHFFFAOYSA-N 295.386 3.574 0 40 CHAB CCN(C(=O)C1CCC1)c1nc2c(C)cccc2s1 6649424 RKAGFVFLYBSYSA-UHFFFAOYSA-N 274.389 3.758 0 40 CHAB Cc1cccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 21998302 FUAAEFVCTOWQAC-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB CCCCn1c(SC(F)F)nc2ccccc2c1=O 5783186 PWOTWCDOCAJTTO-UHFFFAOYSA-N 284.331 3.511 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1C 20489064 OQBDUWSGORSWMY-HOTGVXAUSA-N 297.398 3.948 0 40 CHAB Cc1ccc(N)cc1NC(=O)COc1ccc(C(C)C)cc1 19736055 ODBOAWQIVMUOOZ-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB CC(C)(C)c1ccc(OCCNC(=O)C2CCCC2)cc1 60675958 KZBFMSWOUNCTOD-UHFFFAOYSA-N 289.419 3.669 0 40 CHAB CO[C@@H](C(=O)Nc1c(C)cccc1C)c1ccccc1 95436752 JSHUAOLKJXFLBO-MRXNPFEDSA-N 269.344 3.630 0 40 CHAB C[C@H](NC(=O)NCc1ccccc1)c1cc2ccccc2o1 9961199 ULCOBRTYSCCDIF-ZDUSSCGKSA-N 294.354 3.993 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc2cc[nH]c2c1 32480187 QFNKGUGQLAUCQU-CYBMUJFWSA-N 278.355 3.967 0 40 CHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1(c2ccccc2)CCCC1 219953591 ZVBDCHABXKVITK-ZMSDIMECSA-N 283.415 3.803 0 40 CHAB CCOC(=O)c1ccc(Nc2ccccc2CC)c(N)c1 41081915 KACVKFLAXXXQTK-UHFFFAOYSA-N 284.359 3.752 0 40 CHAB CCCC[C@@H](CC)CNC(=O)Cc1ccc(OC)c(C)c1 225115825 QSNQJBZSNNKXCG-OAHLLOKOSA-N 291.435 3.879 0 40 CHAB Cc1ccc(NC(=S)NCCCc2ccco2)cc1C 225804246 RHYGNGPDDPOOLY-UHFFFAOYSA-N 288.416 3.816 0 40 CHAB O=C(Nc1ccccc1[C@H]1CC=NO1)c1cccc(F)c1 44928795 DDZWWZGKAHZFOL-OAHLLOKOSA-N 284.290 3.525 0 40 CHAB Cc1ccc2nc(-c3ccc(C)c(-n4cnnc4)c3)oc2c1 45920533 QEGUQGHWPWIFNW-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB CCC[n+]1cccc(-c2nc3ccc(F)cc3s2)c1 226776618 MLMPLASFILLHHZ-UHFFFAOYSA-N 273.356 3.800 0 40 CHAB Clc1cccc(CNc2cc(-c3ccco3)n[nH]2)c1 95472030 MIMHRXQUPZBLEY-UHFFFAOYSA-N 273.723 3.935 0 40 CHAB CCc1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1 98212044 VOZYCPSPISSSMS-UHFFFAOYSA-N 292.382 3.671 0 40 CHAB CC(C)(C)OCCC(F)(F)C(F)(F)Br 1083807025 RRNPBMVDZQCWCS-UHFFFAOYSA-N 281.087 3.815 0 40 CHAB CCCC[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)noc1C 65491053 RISUWKLVJRKHNV-ZBFHGGJFSA-N 292.423 3.699 0 40 CHAB Cc1ccc(C(=O)N2Cc3ccccc3CC2(C)C)cc1 5814217 FYKMCQJTRLYKBW-UHFFFAOYSA-N 279.383 3.972 0 40 CHAB O=C(NC1CCCCCCC1)C1=Cc2ccccc2OC1 18078771 RRDQQHVBAQHSRS-UHFFFAOYSA-N 285.387 3.692 0 40 CHAB Cc1ccc(Sc2ncccc2Br)nc1 239563101 WLAZJYHBFCGBPY-UHFFFAOYSA-N 281.178 3.699 0 40 CHAB CC[C@H]1C(=O)O[C@H](c2ccc(Cl)cc2)C(C)(C)C1=O 36842 GKAGFQRGLYYHII-DGCLKSJQSA-N 280.751 3.559 0 40 CHAB O=C(Nc1ccccc1Cl)N1[C@H]2CC[C@H]1CC(F)C2 1775967440 RNELJRASKVTBPS-QWRGUYRKSA-N 282.746 3.837 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc2ncccc12 40023828 CHGCFKGEPIZJPM-GXTWGEPZSA-N 283.375 3.935 0 40 CHAB O=C(NCc1ccccc1)Nc1cccc2ncccc12 40103578 KJCIUXPLHGWXDX-UHFFFAOYSA-N 277.327 3.557 0 40 CHAB Cc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1 281110 UMGDKUCRWXACIQ-MRXNPFEDSA-N 269.369 3.774 0 40 CHAB C/N=c1/scc(-c2ccc3c(c2)-c2ccccc2C3)n1C 102238749 OTBRNYRUHYCRMS-VHEBQXMUSA-N 292.407 3.855 0 40 CHAB CC(C)COC(=O)COc1ccc(Cl)cc1Cl 1602248 GPSGZZSRFJXXBA-UHFFFAOYSA-N 277.147 3.571 0 40 CHAB CCN(CC)CC[C@@H](C)[C@@H](Cc1cccs1)OC(C)=O 1671237 YBCGCYGNOGTANZ-CZUORRHYSA-N 297.464 3.590 0 40 CHAB O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)s1 1671697 SVNXMNUJNYYERN-UHFFFAOYSA-N 253.326 3.770 0 40 CHAB CCCCCCOC(=O)[C@H](O)[C@](C)(Cl)c1ccccc1 1734199 MHDWYAISCVMFJV-GOEBONIOSA-N 298.810 3.625 0 40 CHAB CCOC(=O)c1ccc(NC(=O)c2ccc(CC)cc2)cc1 3559893 UCQRPSBXRZXHQN-UHFFFAOYSA-N 297.354 3.678 0 40 CHAB CC1(C)O[C@@H](c2ccccc2)[C@@H]2C[C@H]1CC[C@@]2(C)O 4310799 LEVCRGWPKKRIOU-WBTNSWJXSA-N 260.377 3.704 0 40 CHAB CCC[C@H](C)NC(=S)Nc1cc(C)ccc1C 6560506 FFCPAHNUGDJGTF-LBPRGKRZSA-N 250.411 3.778 0 40 CHAB COc1ccccc1-c1cc(O)n(-c2ccccc2C)n1 9937121 BFAZBBJFLQUHJH-UHFFFAOYSA-N 280.327 3.562 0 40 CHAB O=C(O)CCCCCC(=O)c1cccc(Cl)c1 2378671 DSZLYKHKODVGDV-UHFFFAOYSA-N 254.713 3.558 0 40 CHAB Cc1cc(C)cc(OCc2nc3ccccc3[nH]2)c1 26474405 OSBPJCWTJGMYHN-UHFFFAOYSA-N 252.317 3.759 0 40 CHAB Cc1ccc(C(C)C)cc1Oc1ncnc2c1cnn2C 12983214 HOJXKDOOXDGMHE-UHFFFAOYSA-N 282.347 3.587 0 40 CHAB CSCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 13638324 QZOVGNHOYNVKNP-UHFFFAOYSA-N 288.397 3.515 0 40 CHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCC1 4938977 JHJRGARLZOANPM-UHFFFAOYSA-N 297.383 3.801 0 40 CHAB O[C@H](CNCc1cccc(Cl)c1Cl)c1ccccc1 16477520 OMKRNUKEFZQQSY-CQSZACIVSA-N 296.197 3.817 0 40 CHAB CC[C@H](C)OCc1c(Br)cnn1[C@@H](C)CC 408715902 GOKLZAPBZSXMNR-UWVGGRQHSA-N 289.217 3.932 0 40 CHAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccoc1 9691796 IGTVOZDJNANDAT-UHFFFAOYSA-N 293.750 3.522 0 40 CHAB Cc1cc(CN(CC2CCC2)c2ccccc2)nn1C 84116913 FFZHZIQZBDDQAY-UHFFFAOYSA-N 269.392 3.535 0 40 CHAB COC(=O)[C@H](c1ccccc1)N1CCC[C@@]2(CC=CCC2)C1 72287554 BKAATQKPXWVGSZ-HKUYNNGSSA-N 299.414 3.723 0 40 CHAB CC(C)(C)CC(C)(C)NCc1cccc2nccn12 95443048 RJESSWFSNOEMAC-UHFFFAOYSA-N 259.397 3.639 0 40 CHAB c1ccc(CCC2CCN(CCCn3ccnc3)CC2)cc1 95986314 PAOWDRUEPAEONY-UHFFFAOYSA-N 297.446 3.618 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1ccn(C2CCCC2)n1 28223030 AWMXEEJGGNMCRO-UHFFFAOYSA-N 295.386 3.739 0 40 CHAB COc1cc2c(cc1OC)CN([C@H](C)c1ccccc1)CC2 138818222 ATZLHOYNOLLLDD-CQSZACIVSA-N 297.398 3.823 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC1CCCCCC1 20043696 NQYUGSHZLHNPNE-QGZVFWFLSA-N 289.419 3.991 0 40 CHAB CCc1ccc(CCC(=O)NCCc2ccc(F)cc2)cc1 60526364 QGXNZENWXUILEA-UHFFFAOYSA-N 299.389 3.680 0 40 CHAB COc1cccc(Cn2cccc3cc(C(F)F)nc2-3)c1 72398483 OCWHJZUIDCSSEA-UHFFFAOYSA-N 288.297 3.982 0 40 CHAB CC(C)C(=O)Nc1ccc(Oc2cccc3[nH]ccc23)nc1 72401493 ZYWGRRYIDXYBFI-UHFFFAOYSA-N 295.342 3.950 0 40 CHAB Brc1cc(-n2cccc2)ccc1N1CCCC1 226276112 LRSRKHYJZPUNEQ-UHFFFAOYSA-N 291.192 3.840 0 40 CHAB CCC[C@H]1Cc2cc(O)c(Cl)c(Cl)c2C1=O 40443194 JVIURHJLQOAEEY-LURJTMIESA-N 259.132 3.854 0 40 CHAB Cc1ccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)cc1 225019889 PPYUFMRMFCBHOF-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB Cc1cccc2cc(C(=O)Nc3ccccc3)oc12 41306620 JPCWVPVHQNEIHP-UHFFFAOYSA-N 251.285 3.994 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)CSc1ccccc1 224187738 VBABCRDXERWSGN-UHFFFAOYSA-N 299.439 3.916 0 40 CHAB CC(C)[C@@H](C)NC(=O)C1(c2ccccc2)CCCC1 194046949 HADHGFJXAHMETH-CQSZACIVSA-N 259.393 3.659 0 40 CHAB CC(C)Oc1ccc(NCc2ccncc2)c(F)c1 96486298 CXHDWIUVSBHHMZ-UHFFFAOYSA-N 260.312 3.620 0 40 CHAB c1ccc(-c2ccc(NCc3cncs3)nc2)cc1 97094818 YDRNBMNAVHJFBL-UHFFFAOYSA-N 267.357 3.817 0 40 CHAB COc1ccccc1-c1csc(C(=O)O)c1-n1cccc1 96516654 FKJPQVIRJXLEQB-UHFFFAOYSA-N 299.351 3.913 0 40 CHAB c1cc(-c2ccc3c(c2)CCC32CCNCC2)co1 96241729 RBPNVQGIBSCDNU-UHFFFAOYSA-N 253.345 3.514 0 40 CHAB Cc1cccc(NC(=O)Nc2ccc(F)cc2)c1F 95535224 VLDLFDKIWHFTKP-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB Fc1cc(Br)cc(Cl)c1OC(F)F 95215417 RHNFACINAXGXHW-UHFFFAOYSA-N 275.451 3.843 0 40 CHAB OCc1cc(-c2ccccc2)nc2cc(F)ccc12 685936830 BXXMPWBYVVXPGR-UHFFFAOYSA-N 253.276 3.533 0 40 CHAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc2c(O)cccc12 685938674 ZCINAZUFPUIZTF-RYUDHWBXSA-N 270.376 3.731 0 40 CHAB CC(C)Cc1c(O)nc2cc(Br)ccc2c1O 685937478 XFHYVQCCKJNJHQ-UHFFFAOYSA-N 296.164 3.607 0 40 CHAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 69777068 XQQIRKPJRJDDIR-OAHLLOKOSA-N 282.387 3.827 0 40 CHAB Fc1cccc(CNCCCSC(F)(F)F)c1 95918312 UBJCPKCDXARIJS-UHFFFAOYSA-N 267.291 3.558 0 40 CHAB Clc1ccccc1-c1c[nH]nc1C1CCOCC1 19368313 ROWYMJFRIZKGQO-UHFFFAOYSA-N 262.740 3.624 0 40 CHAB Cc1ccc(N[P@@]2(=O)C=C(Cl)N(C)C(=O)N2C)cc1 5545039 IFMRJPNDONKQCL-IBGZPJMESA-N 299.698 3.635 0 40 CHAB CCO/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)O 16696986 VQMFWLXJEXQRGG-SFQUDFHCSA-N 298.338 3.728 0 40 CHAB O[C@@H](c1ccccc1)c1cccc([C@H](O)c2ccccc2)c1 18206034 UZPMZQGSWBSPCX-BGYRXZFFSA-N 290.362 3.850 0 40 CHAB COc1cc(/C=C/c2ccc(O)c(OC)c2)cc(OC)c1 1591265 QEHTYBCDRGQJGN-SNAWJCMRSA-N 286.327 3.588 0 40 CHAB FC(F)(F)c1ccc(-c2cncc([C@H]3CCCN3)n2)cc1 616576152 RTBNOBRMVUYMDQ-GFCCVEGCSA-N 293.292 3.587 0 40 CHAB CCc1ccc(NCc2ccc(O)c(OC)c2)cc1 19955069 SABUQYUCKCWKTM-UHFFFAOYSA-N 257.333 3.575 0 40 CHAB O=C(NCc1cc(-c2ccoc2)cs1)c1cccs1 1775969795 LIBNVBYEYPBBLS-UHFFFAOYSA-N 289.381 4.000 0 40 CHAB Cc1sc2ncnc(N3CCC(C)CC3)c2c1C 120999 ULAJRRVRQCBDKJ-UHFFFAOYSA-N 261.394 3.544 0 40 CHAB Cc1ccc([C@H](CCN)[C@H]2CCOC(C)(C)C2)cc1 201899 GXWXGJWPSDTAAG-HOTGVXAUSA-N 261.409 3.633 0 40 CHAB biogenic O=C(Nc1ccc(O)cc1)c1scc2c1CCCC2 92117 DESSMAYYNPCWNU-UHFFFAOYSA-N 273.357 3.585 0 40 CHAB CC[C@H](C)OC(=O)CSc1nc2ccccc2s1 120907 UOHUHDHNZYGPEA-VIFPVBQESA-N 281.402 3.730 0 40 CHAB Cc1cccc(C(=O)Nc2ccccc2OC(F)F)c1 557753 RUULDVPKFCNBBQ-UHFFFAOYSA-N 277.270 3.849 0 40 CHAB Cc1cc2c(cc1C)CN(c1ccc(C(=O)O)cc1)C2 559717 JQUZQKSBKPWYFL-UHFFFAOYSA-N 267.328 3.522 0 40 CHAB c1cc(CN(Cc2ccoc2)C2CCCCC2)on1 76040578 KHOOWNHZXXYKHE-UHFFFAOYSA-N 260.337 3.603 0 40 CHAB c1ccc2nc(N3CCCC3)c(N3CCCCCC3)nc2c1 1681956 LFNAJLQWMXUEBE-UHFFFAOYSA-N 296.418 3.610 0 40 CHAB C[C@H](COc1ccccc1)OC(=O)Nc1ccccc1 2044368 CEMMFWQMZLORBN-CYBMUJFWSA-N 271.316 3.703 0 40 CHAB CC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 483266 IPRIZFURAUFMHM-FNORWQNLSA-N 272.175 3.921 0 40 CHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C(F)(F)F 4831080 ATXCXBAHNZQECW-LPEHRKFASA-N 252.276 3.553 0 40 CHAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 7644494 VSGPJMNGGIBFKI-LLVKDONJSA-N 291.753 3.899 0 40 CHAB CCOc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OC 10038204 BKUXFAFISQXOBP-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB COC(=O)c1ccc(NCc2ccc(SC)cc2)cc1 37301668 XZSKJEAAWWFSEL-UHFFFAOYSA-N 287.384 3.807 0 40 CHAB O=C1NC(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S1 1188185 KUGWAQWUAGDMPL-GXDHUFHOSA-N 297.335 3.803 0 40 CHAB CC(C)(C)OC(=O)n1ccc2c(Br)cncc21 118100618 ZHKSWKOYMANKCN-UHFFFAOYSA-N 297.152 3.582 0 40 CHAB O=C(Cc1cccc2ccccc12)NOCc1ccccc1 10318820 YEZZPISNEMFZNV-UHFFFAOYSA-N 291.350 3.630 0 40 CHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C(C)C)cc1 10510348 GUUVQAUUVBAUGY-UHFFFAOYSA-N 299.418 3.732 0 40 CHAB C[C@H](NC(=O)C1CCCC1)c1ccc(-n2cccc2)cc1 28221134 BENZKIXYENRBFL-AWEZNQCLSA-N 282.387 3.845 0 40 CHAB Cc1cccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)n1 48782774 IPIKVWNTSHYGNU-UHFFFAOYSA-N 288.778 3.960 0 40 CHAB Cc1csc(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 69619297 HPJRLARSZHYWQM-CQSZACIVSA-N 290.432 3.514 0 40 CHAB Cc1cc([C@H](C)NC(=O)c2cc(N)ccc2C)c(C)s1 49503768 IXDCZGAWBJRWKE-NSHDSACASA-N 288.416 3.747 0 40 CHAB CC[C@H](C)c1ccc(NC(=O)c2cc(C(C)=O)c[nH]2)cc1 14086175 FWWRLHZTWVHCEM-NSHDSACASA-N 284.359 3.983 0 40 CHAB O=c1[nH]c2ccc(-c3csc(-c4ccccc4)n3)cc2o1 14164091 RMEJCJLXNUJECC-UHFFFAOYSA-N 294.335 3.912 0 40 CHAB Cc1cccc(OCCN(C)C(=O)Nc2ccccc2)c1 14248930 ORVBKHOYFXDPBV-UHFFFAOYSA-N 284.359 3.538 0 40 CHAB Cc1ccc2c(c1)[C@H](O)C[C@@H](C)N2C(=O)c1ccc(F)cc1 4677261 IHVUOLUXQVHPGH-SJKOYZFVSA-N 299.345 3.607 0 40 CHAB CNCCO[C@]1(c2ccccc2C)CCCC[C@@H]1C 4655645 PGWSTYAZLHDNFQ-DOTOQJQBSA-N 261.409 3.636 0 40 CHAB Cc1c(C)n(C)c2ccc(C(=O)N3CCCCCC3)cc12 27980058 WBOCWAYKNBVUKU-UHFFFAOYSA-N 284.403 3.811 0 40 CHAB Cc1nnc([C@@H](C)N2CCc3ccc(C(C)(C)C)cc3C2)o1 97080467 CQAUVZALFAOGSG-GFCCVEGCSA-N 299.418 3.795 0 40 CHAB Cc1cncc(N[C@H](C)CC(=O)Nc2ccccc2C)c1 97038328 HXKJAGBHCKPJBB-CQSZACIVSA-N 283.375 3.528 0 40 CHAB CC(C)Cc1nnc([C@H](C)N(C)Cc2ccsc2)o1 95978595 HQULVZQDDYHTES-NSHDSACASA-N 279.409 3.523 0 40 CHAB CC(=O)Nc1ccc(-c2csc(NC(C)(C)C)n2)cc1 9953519 LLJSUDSGFBKFRM-UHFFFAOYSA-N 289.404 3.979 0 40 CHAB Fc1ccccc1[C@@H]1NN=C(c2ccccc2)S1 409082339 SBLXUUPIGBKMEW-CQSZACIVSA-N 258.321 3.523 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)N(C)C1CCCC1 22530978 ORKLVPKOCGSGBM-LBPRGKRZSA-N 263.406 3.568 0 40 CHAB CC(C)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1 20110145 ZHUAIFFKHJPPIK-UHFFFAOYSA-N 289.419 3.980 0 40 CHAB N[C@H]1C[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 70453058 GWTLKBGRQVGFTJ-QWRGUYRKSA-N 267.250 3.780 0 40 CHAB COc1ccc(-c2nc(=O)c3cc(Cl)ccc3o2)cc1 38602122 ABEKWDYSQJSSEF-UHFFFAOYSA-N 287.702 3.517 0 40 CHAB CCN(CC)C(=O)CSCc1ccc(Cl)cc1F 187934858 JMSGQVIIEITLGM-UHFFFAOYSA-N 289.803 3.581 0 40 CHAB CCOC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 38816428 DKKVDRQVNMALLN-KRWDZBQOSA-N 281.355 3.791 0 40 CHAB in-vitro Cc1cccc(CSCCNC(=O)C2CCCC2)c1 129379083 RUYVTKPLGNEGEH-UHFFFAOYSA-N 277.433 3.535 0 40 CHAB CC[C@@H](C)c1ccc(OC2CCNCC2)c(Cl)c1 42775052 ANCXXXDTJANCGL-LLVKDONJSA-N 267.800 3.984 0 40 CHAB O=C(NCc1ccc2ccccc2c1)c1cccs1 45201253 LBRYHKSHQBCBRV-UHFFFAOYSA-N 267.353 3.831 0 40 CHAB CC(C)(C)OC(=O)c1ccccc1-c1ccncc1 95942477 LUDSZTZQEDIKMA-UHFFFAOYSA-N 255.317 3.704 0 40 CHAB CCOC(=O)c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C 616590659 JJVURQZDIXFABL-NSHDSACASA-N 261.365 3.585 0 40 CHAB CCN(Cc1c(C)noc1C)[C@H](C)c1cccc(OC)c1 45806161 VSPJCTZJRGJSNR-CYBMUJFWSA-N 288.391 3.883 0 40 CHAB CCc1c(C2CC2)[nH]c2cccc(C(F)(F)F)c2c1=O 685938742 VJPVYOVFCXIARL-UHFFFAOYSA-N 281.277 3.987 0 40 CHAB FC(F)(F)c1noc2ccc(Br)cc12 95883844 XCFRAFMNVAYGDH-UHFFFAOYSA-N 266.016 3.609 0 40 CHAB in-vitro Cc1ccc(SCc2cn3cccc(C)c3n2)nc1 95949546 BKJKEBLHYZCNIR-UHFFFAOYSA-N 269.373 3.638 0 40 CHAB Cc1cc(OC(=O)/C=C/c2ccco2)ccc1Cl 3249226 QHJGGXGUYFCVJI-FNORWQNLSA-N 262.692 3.860 0 40 CHAB CCN(CC)C(=O)c1ccc(OCc2ccccc2)cc1 14042490 PSGOLTSVGUEMIJ-UHFFFAOYSA-N 283.371 3.748 0 40 CHAB O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1ccco1 15838015 QCTCLUJPGFXUJU-CYBMUJFWSA-N 292.285 3.927 0 40 CHAB CCc1cc(N)cc(Cl)c1N1CCC(C)CC1 226315250 IAWHAIZIXGMUDF-UHFFFAOYSA-N 252.789 3.721 0 40 CHAB O=C(COC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 3229120 WRNROXDFYUBIJE-UHFFFAOYSA-N 292.693 3.519 0 40 CHAB O=C(CSc1ccc2ccccc2n1)c1ccc[nH]1 10961832 TVFWZEHLYKZDAZ-UHFFFAOYSA-N 268.341 3.538 0 40 CHAB O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)on1 41484790 WHMZPPTWTRHRJU-UHFFFAOYSA-N 295.294 3.619 0 40 CHAB CCCCNC(=O)CCc1ccc(Cl)cc1Cl 44596454 TVVGGCJNTAHEOM-UHFFFAOYSA-N 274.191 3.842 0 40 CHAB COc1c(C(=O)Nc2nccs2)ccc2ccccc12 52275 NLFOXNSNRQGPEG-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB O=[N+]([O-])C(=C(Cl)Cl)C(Cl)=C(Cl)Cl 1640410 SRMCLUOMSNNKMQ-UHFFFAOYSA-N 271.314 3.795 0 40 CHAB O=c1c2ccccc2nc2scc(-c3ccccc3)n12 4086303 VHSKFCPJYPFSGP-UHFFFAOYSA-N 278.336 3.576 0 40 CHAB O=C(c1ccc(F)cc1)c1c(F)cccc1Cl 36940543 LKLOWZNVLPSWHH-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB Fc1ccc2c(c1)CN(CCc1ccc(Cl)cc1)CO2 19856929 NOTOGOPGWNWUPO-UHFFFAOYSA-N 291.753 3.874 0 40 CHAB CCOC(=O)CCCC(=O)c1c(C)cccc1Cl 575362044 XDVDRNFLGUAKBD-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB CC(C)(C)CC(=O)c1ccc(OCCN2CCCC2)cc1 575359263 ZSGZPPGTSMAWFI-UHFFFAOYSA-N 289.419 3.780 0 40 CHAB C[C@@H](NC(=O)Nc1nccs1)c1ccc(Cl)cc1 40050606 WXMMQYZJTGEUSZ-MRVPVSSYSA-N 281.768 3.679 0 40 CHAB CO[C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 20149800 KEEBMZSFKIZDEV-LIRRHRJNSA-N 295.382 3.809 0 40 CHAB C[C@@H](c1nc(C2CC2)no1)N(C)Cc1ccc(Cl)cc1 51454004 UJWNTHVLTRLMTA-JTQLQIEISA-N 291.782 3.793 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Br)cc2)C1 305142 SHQPZCKEWINHER-GHMZBOCLSA-N 296.208 3.567 0 40 CHAB COc1cccc(C(=O)Oc2ccc(C)cc2C)c1 362381 UUBMWOCMURCPJJ-UHFFFAOYSA-N 256.301 3.531 0 40 CHAB CC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)nc1C 567869 XKNLZBQPGZPRSK-UHFFFAOYSA-N 288.372 3.523 0 40 CHAB Cc1ccc(C(=O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1C 1615823 MFAHKSHUHHQIIO-IRXDYDNUSA-N 285.431 3.998 0 40 CHAB CCc1nc([C@@H](C)NC(=O)c2sccc2C)cs1 78617079 TWBPOJBRRKFCFS-SECBINFHSA-N 280.418 3.566 0 40 CHAB Sc1nnc(SCc2cccc(Cl)c2)s1 4290549 FYWZCDZCABIESU-UHFFFAOYSA-N 274.823 3.773 0 40 CHAB COc1ccc(C(=O)O)cc1COc1ccc(C)c(C)c1 50131811 VBYWXOPHKPDOOX-UHFFFAOYSA-N 286.327 3.589 0 40 CHAB Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl 20193822 SMDRRNSVPABIEK-UHFFFAOYSA-N 299.132 3.967 0 40 CHAB CC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 28576495 NRZRXMJADRBDOL-UHFFFAOYSA-N 265.784 3.531 0 40 CHAB O=C(Nc1cc(F)ccc1F)c1ccc(F)c(F)c1F 20029712 FBLOTTYPJRXXNH-UHFFFAOYSA-N 287.187 3.634 0 40 CHAB CC[C@@H](C(=O)Nc1ccccc1CN(C)C)c1ccccc1 24809030 NWZADFDTBBTORU-QGZVFWFLSA-N 296.414 3.881 0 40 CHAB O=C(/C=C/c1ccco1)N[C@@H]1CCCC[C@H]1C(F)(F)F 25048416 ZFVLTBWHFLFXPZ-IDDPWSFUSA-N 287.281 3.530 0 40 CHAB Clc1ccc2nc(NC[C@@H]3CCCO3)sc2c1 26423907 LAGCRDODIZKAKV-VIFPVBQESA-N 268.769 3.541 0 40 CHAB Cc1ccc([C@@H](CC(=O)O)[C@H]2CCOC(C)(C)C2)cc1 1856568 SJEKEWDPPWCSOR-LSDHHAIUSA-N 276.376 3.759 0 40 CHAB biogenic,in-vitro CCCCOc1ccc(-c2cn3ncsc3n2)cc1 28539926 FJQFXAUNAWFTOZ-UHFFFAOYSA-N 273.361 3.637 0 40 CHAB CC(=O)Nc1nc(C)c(-c2ccc(Cl)cc2)s1 58002897 YDBSGQAHZDNBES-UHFFFAOYSA-N 266.753 3.730 0 40 CHAB Cc1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)o1 3351192 OMOOTJDQQITCPJ-MDZDMXLPSA-N 293.366 3.917 0 40 CHAB Cc1ccc(C)c(C(=O)c2ccc(CN3CC=CC3)cc2)c1 2514901 PTYKPWJRKJSXDE-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB Cn1c(C(=O)O)ccc1-c1cc(Cl)ccc1Cl 11730417 XXHGDPFPTGRLFR-UHFFFAOYSA-N 270.115 3.697 0 40 CHAB O=C(CCC1CCCCC1)Nc1nnc(C2CC2)s1 12918413 JJEHAZXJGISWAL-UHFFFAOYSA-N 279.409 3.715 0 40 CHAB O=C(C1CC1)n1cc(-c2ccc(Cl)nn2)c2ccccc21 4050645 AMZRTYKVJCNBHQ-UHFFFAOYSA-N 297.745 3.802 0 40 CHAB CCCCCNc1ncnc2c1[nH]c1ccc(F)cc12 5252818 CPRFCBGHCFIKFQ-UHFFFAOYSA-N 272.327 3.852 0 40 CHAB Cc1cc(NC(=O)c2cc(C3CC3)nc3ccccc23)no1 14121229 WZHFHOWKJDCWIJ-UHFFFAOYSA-N 293.326 3.661 0 40 CHAB Fc1cccc(F)c1CN(Cc1c[nH]cn1)C1CCCC1 93103960 GRILDHNSNKTTJQ-UHFFFAOYSA-N 291.345 3.633 0 40 CHAB Cc1ccc(-c2nn3c(-c4ccoc4C)nnc3s2)cc1 4938873 OFHYBIARTDMZPX-UHFFFAOYSA-N 296.355 3.730 0 40 CHAB CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 7038944 BEGXDUCBTAWSIM-UHFFFAOYSA-N 270.115 3.613 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(O)cc1 7155718 XQWVECALWKJTNF-NTUHNPAUSA-N 271.703 3.538 0 40 CHAB CCCCNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 20108152 XRHLLHOUMCXTLE-QGZVFWFLSA-N 285.387 3.914 0 40 CHAB C/C(=C\c1ccccc1)C(=O)N[C@H](C)Cc1ccccc1 16576627 OENXRHLZCXGHJF-QJPKHSJYSA-N 279.383 3.837 0 40 CHAB CC(C)COCCCNc1ncccc1C(F)(F)F 97251503 GTVBEHMODMTQAT-UHFFFAOYSA-N 276.302 3.575 0 40 CHAB c1coc(-c2nnc(CSc3cccs3)o2)c1 72287053 LSUBBPKJGPHTNU-UHFFFAOYSA-N 264.331 3.683 0 40 CHAB Cc1cccc(-c2cc3ccc(N(C)C)cc3c(=O)[nH]2)c1 95080411 DEXBOAHZFOXQHM-UHFFFAOYSA-N 278.355 3.570 0 40 CHAB in-vitro CCc1ccc([C@H](C)NCCCc2c(C)noc2C)o1 95969136 WMKHJBYJDBIMNO-LBPRGKRZSA-N 276.380 3.730 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN[C@H](C)CCCO)o1 88762895 NELXIZGKGOGABA-GFCCVEGCSA-N 291.366 3.645 0 40 CHAB CN(C)C(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408905853 ACUUCUVPMHHXHY-NTCAYCPXSA-N 285.774 3.969 0 40 CHAB CC1=C(C)C[C@@H](c2cn(-c3ccccc3)nn2)SC1 3844529 UYBPDWAFBVHPCQ-HNNXBMFYSA-N 271.389 3.782 0 40 CHAB biogenic CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(F)cc1 38241634 TZYOXZVGHGCZMZ-ZDUSSCGKSA-N 265.328 3.898 0 40 CHAB CCC(=O)c1ccc(NCc2ccccc2)nc1C 72224408 NLALQIHDDUTHMN-UHFFFAOYSA-N 254.333 3.595 0 40 CHAB Cc1ccc(CCC(=O)NCCSC(C)(C)C)cc1C 223233114 ZRMNHZKNTSUQIH-UHFFFAOYSA-N 293.476 3.884 0 40 CHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCC2=CCCCC2)c1 224608966 HILGTZBJNYTDKT-OAHLLOKOSA-N 287.403 3.687 0 40 CHAB CCc1cc(Br)cc(C)c1NC(=O)C(C)C 226098080 XFELAQQIQMAGBH-UHFFFAOYSA-N 284.197 3.914 0 40 CHAB Cn1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc21 40309725 IVXDCLKMRMQJCB-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic CC1=CC(C)(C)N([C@@H](C(=O)O)C(C)C)c2ccccc21 223208823 ILOQPOOEZJFLBH-OAHLLOKOSA-N 273.376 3.798 0 40 CHAB CCOC1(C(=O)Nc2ccc(OC)cc2)CCCCCC1 225710674 IWQYJIQMIDVNAS-UHFFFAOYSA-N 291.391 3.763 0 40 CHAB CCc1nc(C)cn1-c1ccc(Br)cc1 95915793 VNOVQHGNVBVZPM-UHFFFAOYSA-N 265.154 3.506 0 40 CHAB COc1cc([C@@H](C)NCc2ccc3occc3c2)ccn1 342287850 USXTUEKWUBKXTQ-GFCCVEGCSA-N 282.343 3.687 0 40 CHAB Cc1nccc([C@@H]2CCCN(Cc3sccc3C)C2)n1 257288446 PUFOGGCWYZDSAJ-CQSZACIVSA-N 287.432 3.535 0 40 CHAB Cn1cc(Oc2ccc(Cl)cc2)c(C(C)(C)C)[n+]1C 255188872 MDJCWLBDMHGVBN-UHFFFAOYSA-N 279.791 3.593 0 40 CHAB Brc1ccccc1CNCc1ccccc1 19899671 CSMLNBGMGZMYOR-UHFFFAOYSA-N 276.177 3.739 0 40 CHAB OCc1cc(-c2ccccc2)nc2cccc(F)c12 685937009 GUMHSBRJOIHTAH-UHFFFAOYSA-N 253.276 3.533 0 40 CHAB C[n+]1ccc(C(c2ccccc2)c2ccccc2)cc1 5368285 NDSMQSRUPIPYPN-UHFFFAOYSA-N 260.360 3.691 0 40 CHAB COc1ccc(CNC(=O)c2ccccc2)c(C(C)(C)C)c1 5976753 XTHPZKVCHHRNPV-UHFFFAOYSA-N 297.398 3.923 0 40 CHAB C[C@H](N[C@@H]1CCCc2ccccc21)c1ccccn1 20123785 HZMWQSQIQIEMSN-SUMWQHHRSA-N 252.361 3.810 0 40 CHAB CC(C)=CC(=O)NCCc1ccc(Cl)cc1Cl 21273351 RDYKHCQZTQYTCB-UHFFFAOYSA-N 272.175 3.618 0 40 CHAB Cc1cccc(-c2nnc(NC(=O)c3ccccc3)s2)c1 3154138 QTIDMFIUEHBUOB-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CN(C(=O)Nc1c[nH]c2ccccc12)c1ccccc1 10187722 NINFQKSMLGEVBL-UHFFFAOYSA-N 265.316 3.836 0 40 CHAB CCC(=O)c1ccccc1OC(F)(F)C(F)F 575242675 BYGUCBGYRFCEGJ-UHFFFAOYSA-N 250.191 3.516 0 40 CHAB COc1ccccc1CNC(=O)N[C@H](C)c1ccccc1C 30982640 JBYTYLVKBVLPPZ-CQSZACIVSA-N 298.386 3.564 0 40 CHAB O=C(Nc1ccc2[nH]ncc2c1)C12CC3CC(CC(C3)C1)C2 20496229 WDPIJNOHLRYCIH-UHFFFAOYSA-N 295.386 3.718 0 40 CHAB Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 357399 FZGXANMBWRQSNK-GJZGRUSLSA-N 251.329 3.737 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 29960 QSXMXGTYDKFLCS-ZDUSSCGKSA-N 269.344 3.576 0 40 CHAB CC(=O)Nc1ccc2[nH]c(-c3cc(C)ccc3C)nc2c1 197644 UKGDCOQLNMPQPR-UHFFFAOYSA-N 279.343 3.805 0 40 CHAB Cc1cccc2cc(C=O)c(N3CCC(C)CC3)nc12 11850796 YWZBYUVTWGXJOT-UHFFFAOYSA-N 268.360 3.592 0 40 CHAB Fc1cccc2[nH]c(/C(Cl)=C/c3cccnc3)nc12 76762225 NOGRURIHNISXJU-YFHOEESVSA-N 273.698 3.834 0 40 CHAB Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]2(O)[C@@H]1CCCCN1 1668788 GLZCSJATWRPEOC-QFBILLFUSA-N 287.447 3.606 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 8755337 CWEAYIAZUNSXCJ-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CCC[C@@H](C)NC(=O)CSCCCc1ccccc1 46806674 AAHAJPSPHXPQSQ-CQSZACIVSA-N 279.449 3.657 0 40 CHAB C[C@]12CC3CC(C(=O)CN4CCCC4)(C1)C[C@](C)(C3)C2 101024173 JQXYOEYZBXRQDD-FZBQFSLMSA-N 275.436 3.648 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc2cccnc12 108900358 YIICVHRRJITHEL-AEGPPILISA-N 280.371 4.000 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)s2)cc1 12621703 GLOALVHJJCBTMK-UHFFFAOYSA-N 294.763 3.612 0 40 CHAB CCCOc1ccccc1NC(=O)COc1cccc(C)c1 3350804 AJHXJYSQUXNYNN-UHFFFAOYSA-N 299.370 3.801 0 40 CHAB CCCCSc1nc(/C=C/c2cccs2)n[nH]1 12758540 HIMSRIISRGNVFT-VOTSOKGWSA-N 265.407 3.929 0 40 CHAB CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 8741186 JUPFLPUZNPSCHZ-UHFFFAOYSA-N 277.391 3.965 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 12949312 WERXGIGHDQZNPO-UHFFFAOYSA-N 297.354 3.929 0 40 CHAB O=C(Nc1ccc2c(c1)CCN2)c1cccc(Cl)c1 63188059 MXNPXRJZGPAXLS-UHFFFAOYSA-N 272.735 3.560 0 40 CHAB CSc1ccc(Cl)cc1NC(=O)N1CCCC1 49359594 MIVOFPQDPVYCGG-UHFFFAOYSA-N 270.785 3.690 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(F)cc1 6328463 QTZSRNPQNIWRON-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB O=C(Nc1nc2ccc(F)cc2s1)C1CCCC1 6832414 SXYZXRVMXQRSFH-UHFFFAOYSA-N 264.325 3.564 0 40 CHAB COc1cccc(-c2ccc(CNCc3ccccn3)o2)c1 15083747 SPIMMQPKUAKLJK-UHFFFAOYSA-N 294.354 3.640 0 40 CHAB c1cncc(-c2cc(N3CCCC3)c3ccccc3n2)c1 5939887 QIIXIROOWAWACN-UHFFFAOYSA-N 275.355 3.897 0 40 CHAB Cc1ccc(Cn2c(C(=O)O)cc3ccccc32)cc1 9239703 FHCWUGQYUOPMFY-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1nccs1 17198230 LOYOGMCUQWCCPB-NSHDSACASA-N 296.804 3.575 0 40 CHAB O=C(Oc1ccc(Oc2nccs2)cc1)c1cccnc1 95426610 KARWTHGHPJVTIW-UHFFFAOYSA-N 298.323 3.550 0 40 CHAB C[C@@]12CC=CC[C@@H]1C(=O)N(c1ccc3ccccc3c1)C2=O 26503913 SPYMKGMPCKEOLN-VQIMIIECSA-N 291.350 3.686 0 40 CHAB CC(=O)OC[C@@]12COC(=C(C)C)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 519276 XPUXDIZNNJHBTE-RPCCPQHDSA-N 278.392 3.708 0 40 CHAB biogenic CCc1cccc(C(=O)C(Cl)(Cl)Cl)c1 307251344 QJQUUTOBSBFTRG-UHFFFAOYSA-N 251.540 3.802 0 40 CHAB O=C(CN1CCCCCC1)c1ccc(Br)cc1 34981358 PGPVFHQZIDSFKX-UHFFFAOYSA-N 296.208 3.508 0 40 CHAB Fc1cccc(Cl)c1CSc1nnc(C(F)F)[nH]1 216927084 DYVLGFGFEOQDKZ-UHFFFAOYSA-N 293.701 3.827 0 40 CHAB Cc1cccc(CNC(=O)c2cc(C)c(C)cc2C)c1 225645732 KDQNXAVQUXTPMX-UHFFFAOYSA-N 267.372 3.850 0 40 CHAB CC[C@@]1(C)Oc2ccc(NCc3cncs3)cc2O1 191098301 LJAIPUSPWKABGB-AWEZNQCLSA-N 276.361 3.653 0 40 CHAB C[C@@H](CCc1ccccc1)NC[C@@H](C)C(=O)OC(C)(C)C 47219108 PFAQPKYRXXXRNK-CABCVRRESA-N 291.435 3.575 0 40 CHAB CCCOCc1cc(C(=O)NC(C)(C)C)ccc1OCC 224702631 QBNPKGXHALTZKU-UHFFFAOYSA-N 293.407 3.540 0 40 CHAB COCCC1(NC(=S)Nc2cccc(C)c2)CCCC1 225840796 SOHGINZWZQFKGH-UHFFFAOYSA-N 292.448 3.631 0 40 CHAB CCN(CC)C(=O)CCc1c(Cl)cccc1Cl 225343047 GHZKBPURBCRFGM-UHFFFAOYSA-N 274.191 3.794 0 40 CHAB COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1C 222960398 ISYHEACWDWSGKN-CYBMUJFWSA-N 281.355 3.595 0 40 CHAB Brc1cccc(COCC2CCC2)c1 96525805 MXUSZSXQVYTNSS-UHFFFAOYSA-N 255.155 3.766 0 40 CHAB CC(C)(C)OC(=O)NCc1c[nH]c(-c2ccccc2)c1 261508777 WVGSCMLKNBVFLS-UHFFFAOYSA-N 272.348 3.706 0 40 CHAB COc1cc(C(=O)Nc2ccccc2-c2ccccc2)on1 90609973 HPVUAXKUMSBZEE-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB C[C@H]1CC[C@H]1COc1ccc(C=O)cc1Br 575410964 QKIIEJQMLQHMFC-ONGXEEELSA-N 283.165 3.687 0 40 CHAB CC[C@@H]1CCCCN1Cc1cc(Cl)cc2c1OCOC2 16695698 HQVRDTIOJOQVGL-OAHLLOKOSA-N 295.810 3.971 0 40 CHAB O=C(O)c1csc(Nc2ccc3ccccc3c2)n1 95929474 QIOHNWUIEJURAF-UHFFFAOYSA-N 270.313 3.738 0 40 CHAB CCc1noc(CNc2ccccc2SC(C)C)n1 89295428 ACRQZWABZGIPCS-UHFFFAOYSA-N 277.393 3.745 0 40 CHAB O=C(c1ccc(F)cc1)[C@H]1O[C@@H]1c1ccccc1Cl 16125539 PXRNXFWVULYKSD-HUUCEWRRSA-N 276.694 3.802 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 5048737 KXSCLZWHRGQIQQ-GBIKHYSHSA-N 292.176 3.600 0 40 CHAB CCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 5456611 INWSGZJATWXKEI-UHFFFAOYSA-N 260.362 3.857 0 40 CHAB CCc1cc(C(=O)Nc2ccccc2OC)sc1C 16030459 FKRYOALCTLIROF-UHFFFAOYSA-N 275.373 3.880 0 40 CHAB Cc1ccc(N[C@@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 36122071 CNXWSYYNTZRFTE-ZNMIVQPWSA-N 274.408 3.585 0 40 CHAB O=C(Nc1nc2ccc3ccccc3c2s1)C1CC1 3201139 WOKDGYNHETZULC-UHFFFAOYSA-N 268.341 3.798 0 40 CHAB N=C1c2ccccc2CN1c1ccc(Br)cc1 20078866 UZLQWEFPMKYMSQ-UHFFFAOYSA-N 287.160 3.795 0 40 CHAB CO[C@@H](CNc1nc2cnccc2s1)c1ccccc1C 1775970889 IVJZFZDDUFLVTF-AWEZNQCLSA-N 299.399 3.799 0 40 CHAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccccc1Cl 231477 XNIGRPFCTCGOCF-UHFFFAOYSA-N 289.806 3.895 0 40 CHAB CC[C@H](C)NC(=O)Nc1ccc(Br)cc1C 32862245 QLHAYYMUAZHLHE-VIFPVBQESA-N 285.185 3.678 0 40 CHAB CNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 480057 WTOIAAQJNNWCPC-UHFFFAOYSA-N 294.276 3.999 0 40 CHAB CCCC[C@H](CC)C(=O)OCCC[C@@H]1CCCO1 4684031 CTTMABCNHUOHAT-KBPBESRZSA-N 256.386 3.705 0 40 CHAB Cc1ccc(NC(=S)N2CCCC[C@H]2C)cc1C 6488073 APIGQZGGHSLGGA-CYBMUJFWSA-N 262.422 3.875 0 40 CHAB CC(C)(C)OC(=O)N1CCC(Nc2ccc(F)cc2)CC1 8773250 TUYSUNKDSSHKHM-UHFFFAOYSA-N 294.370 3.637 0 40 CHAB CC(=O)c1ccc(NC(=O)c2cccc3cccnc23)cc1 22389807 KECIHJCNVYUXQB-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB Cc1nc(Cl)cc(Nc2ccc(Cl)cc2)n1 52835657 SKJSMUSOJGBEPN-UHFFFAOYSA-N 254.120 3.835 0 40 CHAB COC(=O)N[C@H](c1ccc(C)cc1)C(Cl)(Cl)Cl 3097137 SXKADSSGALMVQP-SECBINFHSA-N 296.581 3.762 0 40 CHAB COc1ccc(C(=O)Nc2cc3c(s2)CCCC3)cc1 3156153 YKIJVVULLGIODI-UHFFFAOYSA-N 287.384 3.888 0 40 CHAB O=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1 1386430 BXPBQGOKPVBXOE-UHFFFAOYSA-N 292.294 3.634 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1 24929224 ZFOCBSCTYJKDMQ-DOMZBBRYSA-N 294.826 3.760 0 40 CHAB CCc1ccccc1NC(=O)N[C@H]1CCC[C@@H](C)C1 43401659 BVHNCNRYDIZCLM-OCCSQVGLSA-N 260.381 3.949 0 40 CHAB Cc1cc(Cl)nc(COc2ccc(Cl)cc2)n1 58043492 ILODNGDLNGESJY-UHFFFAOYSA-N 269.131 3.671 0 40 CHAB Cc1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1C 106248308 FFKIOYGCRMVTLW-NFAWXSAZSA-N 274.433 3.778 0 40 CHAB O=C(OCc1ccc(Cl)cc1)c1cccnc1Cl 3280921 QESJITPKJNLIIW-UHFFFAOYSA-N 282.126 3.745 0 40 CHAB Cc1cc2oc(-c3ccccc3)c(O)c(=O)c2cc1C 1923865 CHESXGWDTYHVSZ-UHFFFAOYSA-N 266.296 3.782 0 40 CHAB CCCOc1ccc(NCCOc2ccccc2)cc1 51785642 PNIHHEBZKBDEQZ-UHFFFAOYSA-N 271.360 3.966 0 40 CHAB S=C(Nc1cccc(Cl)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100999044 LXBJMJNIMDMNNW-BREBYQMCSA-N 280.824 3.815 0 40 CHAB O=C(Cc1ccccc1)O[C@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 104026248 XXQJYZFLCGZQNN-NNXHMXCWSA-N 270.372 3.597 0 40 CHAB COc1ccc(NC(=O)[C@]2(C)CCc3ccccc3C2)cc1 72302631 ULYMYAYTJPZNDJ-LJQANCHMSA-N 295.382 3.829 0 40 CHAB Cc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1C 10214497 BVFIAZHQSMJNJJ-UHFFFAOYSA-N 292.382 3.757 0 40 CHAB c1ccc(C2=NSC3=NCC(C4CCCCC4)=NN32)cc1 28534611 ACIVGQMYMDGPQH-UHFFFAOYSA-N 298.415 3.703 0 40 CHAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nccc3N2)s1 2536706 XVDUXCIJVMKPGD-SCZZXKLOSA-N 287.310 3.913 0 40 CHAB Cc1ccc(C(=O)Nc2ccc([C@H]3CC=NO3)cc2)cc1 12854869 JKZFCLVZUYMDSN-MRXNPFEDSA-N 280.327 3.695 0 40 CHAB CC(C)C[C@H](NCC[C@H]1CCCO1)c1ccccc1 38095570 DONACSAWZIPZOL-SJORKVTESA-N 261.409 3.933 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2ccccc21 20111639 NJHZWVRGEMDGRD-QGZVFWFLSA-N 299.345 3.572 0 40 CHAB CCOc1ccc([C@H](CC)NC(=O)N[C@H](C)CC)cc1 13746438 XXQGFNGBKJGQNM-DOMZBBRYSA-N 278.396 3.634 0 40 CHAB Oc1ccccc1-c1nc(/C=C/c2ccc(F)cc2)no1 5396166 VGOIHDHZVUWSQS-JXMROGBWSA-N 282.274 3.752 0 40 CHAB CCCCC[C@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 5464913 IJACBDGJIVFLHN-FROQITRMSA-N 289.375 3.514 0 40 CHAB c1ccc(-c2n[nH]cc2-c2nc3ccccc3[nH]2)cc1 6962228 DVAXNZRKQMDAOZ-UHFFFAOYSA-N 260.300 3.620 0 40 CHAB CCOC(=O)c1cc(-c2ccc(N)cc2)nc2ccccc12 4973763 JTLDXYWMDJDRCQ-UHFFFAOYSA-N 292.338 3.661 0 40 CHAB CCOc1ccc([C@H](N)c2ccccc2Cl)cc1 19967411 KSGHJSOUOLCSCO-HNNXBMFYSA-N 261.752 3.787 0 40 CHAB in-vitro Cc1ccc([C@H](C)NC(=O)N(C2CC2)[C@H](C)C2CC2)o1 73503416 IDSIAQYBKRXNFT-NWDGAFQWSA-N 276.380 3.622 0 40 CHAB Cc1ccsc1-c1nc(-c2cnn(C)c2)cs1 98013122 UXHILLPSKPZFCD-UHFFFAOYSA-N 261.375 3.581 0 40 CHAB Cc1ccc(N2C(=O)c3cc4ccccc4cc3C2=O)cc1 34345879 MFOHAGCYDHJTEM-UHFFFAOYSA-N 287.318 3.949 0 40 CHAB COC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Cl)cc21 38277082 PLSRFSLUCRJQMJ-NSHDSACASA-N 277.751 3.804 0 40 CHAB Fc1ccc(-c2cn3c(Br)cccc3n2)cc1 39325775 RENZHUYFIPCJHF-UHFFFAOYSA-N 291.123 3.903 0 40 CHAB O[C@H](CNc1nc2ccccc2o1)c1ccc(Cl)cc1 30860341 ZDEPKSZXZKFSDI-CYBMUJFWSA-N 288.734 3.627 0 40 CHAB c1ccc(CN2CCC[C@H]2c2ccc(NC3CC3)nc2)cc1 72213768 WBMAGXOKSLEVFQ-SFHVURJKSA-N 293.414 3.993 0 40 CHAB CC(=O)N1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 72212173 FABQWRRSGZNYHK-QGZVFWFLSA-N 296.370 3.947 0 40 CHAB Cc1ccc(C)c(CC(=O)N(C)C2CCCCC2)c1 44838908 KSIWUTIVCARJKN-UHFFFAOYSA-N 259.393 3.637 0 40 CHAB O=C(Cc1ccccc1F)NCCSC1CCCCC1 225445103 PKSIJYWRYVIRHZ-UHFFFAOYSA-N 295.423 3.550 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NCC2=CCCCC2)cc1C 224602407 VRQORZFNAPPURN-OAHLLOKOSA-N 287.403 3.687 0 40 CHAB CC1(C)CN(C(=O)c2ccncc2)c2ccccc2S1 88240564 VJPDIQIQANQEJI-UHFFFAOYSA-N 284.384 3.613 0 40 CHAB O=C(O)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 90804348 HFJHPBHICQXUBD-UHFFFAOYSA-N 283.205 3.591 0 40 CHAB CO[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1ccccc1 96061572 ZOXRJBHWJVHDKY-DLBZAZTESA-N 287.428 3.580 0 40 CHAB O=C(c1cc2cc(Br)ccc2o1)C(F)(F)F 91356099 PIDJQWJKUUOPBA-UHFFFAOYSA-N 293.038 3.940 0 40 CHAB CCn1ccc2cc(NC(=O)c3scnc3C)ccc21 58278578 UPNFDKHJDKNOQJ-UHFFFAOYSA-N 285.372 3.678 0 40 CHAB O=Cc1cn(-c2ccccc2)nc1-c1cc(F)cc(F)c1 94828242 IPESYQDYERLCLC-UHFFFAOYSA-N 284.265 3.630 0 40 CHAB CC(C)(C)N1CCO[C@H](c2cccc(Cl)c2)C1 14982326 XNEVATPUJAWEMS-ZDUSSCGKSA-N 253.773 3.512 0 40 CHAB O=C(NCCCSc1ccccc1)Nc1ccccc1 6879632 OOYDXFDRJCYZQG-UHFFFAOYSA-N 286.400 3.991 0 40 CHAB CC(C)(C)c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 6831450 ZKKFHBDYTOSSFW-MRXNPFEDSA-N 280.371 3.838 0 40 CHAB CSc1ccc(CNCCCN2CCCC[C@H]2C)cc1 20017272 IZMTXBCBBBVBKV-OAHLLOKOSA-N 292.492 3.763 0 40 CHAB CCNCc1cccc(-c2cccc(-c3cc[nH]n3)c2)c1 20560880 MHJRBGXEJALHCM-UHFFFAOYSA-N 277.371 3.853 0 40 CHAB O=c1[nH]c2ccccc2cc1CNc1ccc(Cl)cc1 383219 KWVGGKYDCOADNG-UHFFFAOYSA-N 284.746 3.794 0 40 CHAB c1ccc2c3[n+](ccc2c1)CCC[n+]1ccc2ccccc2c1-3 1564230 NITUHIVBNYKMOP-UHFFFAOYSA-N 298.389 3.639 0 40 CHAB CCCCC[C@@H](OC(C)=O)c1ccc2c(c1)OCO2 1711288 DHFWEDDMTLCZLG-CYBMUJFWSA-N 264.321 3.600 0 40 CHAB c1ccc(COc2ccc(CSc3ncc[nH]3)cc2)nc1 78997317 JDGZUUROMHRTOY-UHFFFAOYSA-N 297.383 3.676 0 40 CHAB COc1ccc2c(NCc3ccco3)cc(C)nc2c1 41474094 PKWQQSRIXTXXJP-UHFFFAOYSA-N 268.316 3.757 0 40 CHAB CC(C)C(=O)Nc1cccc(Cl)c1N1CCCC1 6563606 KTGXAELGDHUHAT-UHFFFAOYSA-N 266.772 3.535 0 40 CHAB Cc1cc(C)nc(N[C@H](C)c2ccccc2Cl)n1 42238101 DTDPRDYQMKLZOV-LLVKDONJSA-N 261.756 3.920 0 40 CHAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1 815085 VOJTYLRKIQUAGT-UHFFFAOYSA-N 284.359 3.713 0 40 CHAB Cc1ccc(C(=O)N2CCCC(c3ccccc3)=N2)cc1 1397984 LBVZDXOTAWYART-UHFFFAOYSA-N 278.355 3.635 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccncc2)cc1Cl 24987603 DRHFFQWDUBNCRG-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Nc2cc(F)cc(F)c2)o1 43881748 QINXDMGIEZLPTD-VIFPVBQESA-N 280.274 3.749 0 40 CHAB O=C(OCc1ccccc1Cl)c1cccnc1Cl 3284343 BNWNPBXPPXELOT-UHFFFAOYSA-N 282.126 3.745 0 40 CHAB CC[C@@H]1CCC[C@H](N[C@H](C)C(C)(C)CN(C)C)C1 108394952 BLKAIVWFSBZCFP-KFWWJZLASA-N 254.462 3.521 0 40 CHAB CCOc1ccc(NC(=O)N[C@@H](C)c2ccccn2)c(C)c1 48142585 IQYASIIDWAQJEU-ZDUSSCGKSA-N 299.374 3.671 0 40 CHAB Cc1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1 8686077 PMVABHHMKSQZQR-UHFFFAOYSA-N 282.372 3.680 0 40 CHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 3515440 GEBSZOIWDKVPMS-AWEZNQCLSA-N 297.354 3.604 0 40 CHAB Cc1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cn1 12971588 PLNWXIJAIVSYAD-CYBMUJFWSA-N 294.354 3.969 0 40 CHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 13399588 NVKAWKQGWWIWPM-NOPAXMLDSA-N 290.447 3.959 0 40 CHAB biogenic Cc1ccc([C@H]2NC(=O)NC3=C2CCc2ccccc23)cc1 9109200 JCEPOUFXZCBVLC-QGZVFWFLSA-N 290.366 3.706 0 40 CHAB O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1ccoc1 69527686 LYNUAYKPJVJSTJ-ZDUSSCGKSA-N 297.276 3.632 0 40 CHAB Cc1cccc(-c2nnc(-c3cnc4onc(C)c4c3)o2)c1 71889542 QSJJOXQRAYFYNW-UHFFFAOYSA-N 292.298 3.557 0 40 CHAB CC(C)Cc1nnc([C@@H](C)N(C)Cc2ccsc2)o1 95978594 HQULVZQDDYHTES-LLVKDONJSA-N 279.409 3.523 0 40 CHAB O=C(O)c1cc([C@@H]2C[C@@H]3C=C[C@H]2C3)nc2ccccc12 4342814 QKDDGOCUYOOPRI-NTZNESFSSA-N 265.312 3.613 0 40 CHAB Cc1nc(-c2ccc(Br)cc2)oc1C 38879794 QFJYKAKGDWXIAU-UHFFFAOYSA-N 252.111 3.721 0 40 CHAB CCCn1c(NCc2cscn2)nc2ccccc21 181479340 KMERGNBIKWYVPE-UHFFFAOYSA-N 272.377 3.515 0 40 CHAB Cc1ccc(CSc2nsc(Cl)n2)cc1 71980737 BITYYYRAIXGNPJ-UHFFFAOYSA-N 256.783 3.792 0 40 CHAB OC1=Nc2ccsc2[C@@H](c2ccc(O)cc2)SC1 71279663 GVYMTRAIMXAKCN-GFCCVEGCSA-N 277.370 3.878 0 40 CHAB CCCOC(=O)c1ccc(Nc2ccc(F)cc2)c(N)c1 225422404 CZWJQRPQYUEMNT-UHFFFAOYSA-N 288.322 3.718 0 40 CHAB Cc1cc(CNCC(C)C)ccc1Br 85706620 YEDSMGOSTKQJEJ-UHFFFAOYSA-N 256.187 3.503 0 40 CHAB CCOc1ccccc1CNC(=O)Cc1ccc(CC)cc1 223228227 SCEJJTONRYKVRA-UHFFFAOYSA-N 297.398 3.507 0 40 CHAB CC(C)Oc1cccc(NC(=O)c2cccc(F)c2)c1 224956645 BUWKJPKMGCSEMU-UHFFFAOYSA-N 273.307 3.865 0 40 CHAB Cc1ccccc1O[C@H](Cc1cccc(Cl)c1)C(=O)O 225058054 IDVDEAYORZGWEI-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB O=C(O)C1(Cc2cccc(F)c2)CCC(F)(F)CC1 83351192 XYOYJVBLIDGXKJ-UHFFFAOYSA-N 272.266 3.649 0 40 CHAB Cc1ccc(SC(=O)[C@@H](C)Oc2cccc(N)c2)cc1 225402432 SHHQWSJNFCHRNL-GFCCVEGCSA-N 287.384 3.663 0 40 CHAB C[C@H]1CC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C1 199802973 CMUASACBVVNFRL-SECBINFHSA-N 294.276 3.656 0 40 CHAB COc1c(C(=O)CC(=O)c2ccccc2)ccc2occc12 95615313 XTLSKKJNOIMMBK-UHFFFAOYSA-N 294.306 3.897 0 40 CHAB biogenic,in-vitro COc1ccc2cc([C@H](C)S[C@@H](C)C(N)=O)ccc2c1 96435656 KFSHXPIFCJRFQQ-QWRGUYRKSA-N 289.400 3.516 0 40 CHAB CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2c2ccco2)C1 252581648 HCACSSNDKLCPTC-DGAVXFQQSA-N 293.432 3.516 0 40 CHAB CCOc1ccc(CNc2ccn([C@H](C)CC)n2)cc1 256051492 JJFCLPUSJZUIHP-CYBMUJFWSA-N 273.380 3.865 0 40 CHAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CC[C@H](O)[C@]12O 257345695 GPRSOKWELPYPCU-WYBWHWPOSA-N 292.463 3.895 0 40 CHAB CCCCCc1ccc(C(=O)C(C)(C)OC(C)=O)cc1 575359050 QEBAUOPCMWKVSJ-UHFFFAOYSA-N 276.376 3.944 0 40 CHAB Cc1nc(C)c([C@@H](C)NC(=O)c2c(C)oc(C)c2C)s1 48749473 NXGCWWLSZOLGIQ-SECBINFHSA-N 292.404 3.769 0 40 CHAB Cc1ccc(C(=O)N/N=C/C=C/c2ccco2)cc1Cl 6033570 DXMOAOVXWDCFEQ-RJMXLKIRSA-N 288.734 3.670 0 40 CHAB Nc1sc2ccccc2c(=O)c1-c1ccc(F)cc1 11692168 BKVDIYSJXICMEZ-UHFFFAOYSA-N 271.316 3.650 0 40 CHAB CCCCCNC(=O)c1cc2ccccc2cc1OC 17322316 JUPJSYHSPIKQGS-UHFFFAOYSA-N 271.360 3.768 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Cl 161011 FBFUAFUFKUBHSS-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB O=C(CCc1ccccc1)NCC1(c2ccsc2)CC1 1888921836 HAHFWDKSOSYYFJ-UHFFFAOYSA-N 285.412 3.529 0 40 CHAB O=C(Nc1cccc2ncccc12)NC1CCCCC1 27926073 NQXCEDDYEHAEAX-UHFFFAOYSA-N 269.348 3.689 0 40 CHAB CSc1nc2ccc3nc(NC(C)=O)sc3c2s1 2483589 ZCAUMXPDXQTTQK-UHFFFAOYSA-N 295.414 3.586 0 40 CHAB C[C@H](c1ccccc1)[C@H](CC(=O)Nc1ccccc1)C(=O)O 297072 BDMDXLRFUPFFHD-CJNGLKHVSA-N 297.354 3.520 0 40 CHAB CC1(C)C(=O)O[C@@H](c2ccc(Cl)cc2)C(C)(C)C1=O 318184 BKAOTZRZDQGSEG-NSHDSACASA-N 280.751 3.559 0 40 CHAB C[C@H](NC(=O)CCc1ccco1)c1ccc(Cl)s1 32817610 ZONIWRMAFMDAKS-VIFPVBQESA-N 283.780 3.805 0 40 CHAB CC1(C)CC(C(=O)O)(c2ccc(Br)cc2)C1 76484055 AFJUSPIAMPIRAU-UHFFFAOYSA-N 283.165 3.592 0 40 CHAB CCCCCCNC(=O)c1cccc2c1O[C@H](C)[C@@H]2C 32903812 QTWLZBIBJKJXEK-QWHCGFSZSA-N 275.392 3.881 0 40 CHAB O=C(O)/C=C/c1cccc2c(Br)cccc12 3844832 DPHVBFWKOBBBDK-BQYQJAHWSA-N 277.117 3.700 0 40 CHAB Cc1ccc(C(=O)CCC(=O)N[C@H]2CCCC[C@H]2C)s1 21875490 KGWNITOXVOHCDR-YPMHNXCESA-N 293.432 3.714 0 40 CHAB CCCCN1C(=O)S[C@@H](Cc2ccc(CC)cc2)C1=O 6647631 RQDZVGDBBOAMOS-AWEZNQCLSA-N 291.416 3.656 0 40 CHAB CCN(CC)C[C@@H](Oc1ccccc1)C(=O)c1ccccc1 6382431 QZQSOAHZXPHQCZ-GOSISDBHSA-N 297.398 3.659 0 40 CHAB O=C(Nc1nncs1)c1ccc(-c2ccccc2)cc1F 47075139 JFZUFXSINNKEOM-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB Cc1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 24980116 BILCAKNAGGAWHF-RYUDHWBXSA-N 285.309 3.846 0 40 CHAB S=C(NCc1cccc(Cl)c1)NC1CCCCC1 3231811 PNDUOZGTYKDOAF-UHFFFAOYSA-N 282.840 3.637 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccc(Cl)cc2F)s1 12612352 WQMLYRDGITZGGZ-UHFFFAOYSA-N 284.743 3.805 0 40 CHAB CCCn1c(C)nnc1CN[C@H](C)c1cc(C)sc1C 97109666 GGPWYUGRTIEGEM-LLVKDONJSA-N 292.452 3.526 0 40 CHAB Cc1ncc(C(=O)Nc2ccc(Cl)cc2C)s1 58014616 XMWGVGUXTWUUPU-UHFFFAOYSA-N 266.753 3.666 0 40 CHAB Cc1ccc(NC(=O)NCc2cc3ccccc3[nH]2)cc1 58155729 FSGZDMPHADOMOM-UHFFFAOYSA-N 279.343 3.798 0 40 CHAB Cc1cccc(C(=O)c2cccc(CN3CC=CC3)c2)c1 2515378 MUCZBZJMHPSGEX-UHFFFAOYSA-N 277.367 3.598 0 40 CHAB Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)c(C)c1 3482493 KVQLZJJVGBTUCT-UHFFFAOYSA-N 278.355 3.966 0 40 CHAB CSc1cccc(NC(=O)/C=C/c2ccc(C)o2)c1 3548731 PQVKXYVUJFRXCE-CMDGGOBGSA-N 273.357 3.962 0 40 CHAB O=C(O)/C=C/c1ccc(OCc2ccc(F)c(F)c2)cc1 14007858 YQMNUKYTAJGSDO-XBXARRHUSA-N 290.265 3.642 0 40 CHAB Cc1ccc(NC(=O)c2noc3c2CCCC3)c(Cl)c1 20357113 ZJBAQIGIAJGHGT-UHFFFAOYSA-N 290.750 3.768 0 40 CHAB Cn1c(C(=O)Nc2ccccc2F)cc2sccc21 4971107 VWTYFGQOEXUUNF-UHFFFAOYSA-N 274.320 3.631 0 40 CHAB CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1nccs1 69514831 BDCFYHGNHAVRCR-NWDGAFQWSA-N 292.791 3.563 0 40 CHAB CCC(C)(C)NCc1ccc(F)c(Br)c1 19880219 FRYNFYZYTSWNNS-UHFFFAOYSA-N 274.177 3.866 0 40 CHAB Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2cccs2)s1 19927627 HNXHJNKTKYEMSF-KWQFWETISA-N 296.442 3.680 0 40 CHAB C(=C\c1ccccc1)\CNCCNC/C=C\c1ccccc1 22580492 OCPXRFLUCJRFJO-PVRNWPCDSA-N 292.426 3.592 0 40 CHAB CC(C)Cc1ccc(CN(C)Cc2cccnc2)cc1 95453441 NBXRYKCKCGIPRP-UHFFFAOYSA-N 268.404 3.912 0 40 CHAB Cc1ccc(CN[C@H](C)c2ccco2)c(N(C)C)c1 95969124 QTJVPUGENJOOOM-CYBMUJFWSA-N 258.365 3.505 0 40 CHAB Cc1ccc(C)c(CC(=O)N(C)Cc2ccccc2)c1 20493574 FNHRXZUNHVPWAK-UHFFFAOYSA-N 267.372 3.505 0 40 CHAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C 37947588 GDIJMKULPUWUMH-UHFFFAOYSA-N 279.339 3.724 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1ccccc1 32889955 KOYHIYIEARGYLR-HOCLYGCPSA-N 255.361 3.706 0 40 CHAB CC(C)(C)C(=O)Nc1cc(Cl)c(N)cc1Cl 45891449 XOBMUYPHAXLSQG-UHFFFAOYSA-N 261.152 3.560 0 40 CHAB O=C(CCc1ccc(F)cc1F)c1ccc2c(c1)OCO2 199736656 TYYIBMGKJKDKOT-UHFFFAOYSA-N 290.265 3.509 0 40 CHAB O=C(CSc1ccc2ccccc2c1)N1CCCCC1 45965622 GXWXQFJVCQDWGV-UHFFFAOYSA-N 285.412 3.944 0 40 CHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)C(C)C 225221210 ZXBNEWCGHNJLLU-BXUZGUMPSA-N 283.799 3.658 0 40 CHAB C/C=C/C=C/C(=O)N(C)Cc1cc2ccccc2o1 96445193 ZESIYVNABIJZAL-COBAKMAKSA-N 255.317 3.524 0 40 CHAB CCN1c2cc(C)c(C(=O)O)cc2[C@H](C)CC1(C)C 260717090 IBWVANKMELOFIG-LLVKDONJSA-N 261.365 3.805 0 40 CHAB Cc1cc(N2CCCC[C@H]2C)nc2c(O)cccc12 685938265 NWNIAYIOJFCBJJ-GFCCVEGCSA-N 256.349 3.628 0 40 CHAB CCOC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747448 KPHBYKLGXIRBSS-LURJTMIESA-N 297.565 3.977 0 40 CHAB CC1(C)c2ccccc2N2Cc3cc(N)ccc3O[C@]21C 5261071 OZDFXZZIKWRKJR-SFHVURJKSA-N 280.371 3.675 0 40 CHAB COc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 5285671 QDVCOIQHTAYVOM-UHFFFAOYSA-N 258.708 3.892 0 40 CHAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1nccs1 5574638 DVZFHQMWPBZBTN-UHFFFAOYSA-N 290.388 3.592 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)c(Cl)c1 20357104 MLHBEDSWWCKOGG-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CCCCC(=O)Nc1nnc(-c2ccccc2Cl)s1 4072155 BVIDQXJXLJZNTI-UHFFFAOYSA-N 295.795 3.987 0 40 CHAB Cc1cccc(-c2nc(O)c3c(n2)Oc2ccccc2C3)c1 6748573 ZUGHZWYLMZCSNN-UHFFFAOYSA-N 290.322 3.854 0 40 CHAB O=C(Nc1ccc2scnc2c1)c1ccc(F)cc1 9472043 YHGQJSDIZGSZRS-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB COc1ccc(C)cc1[C@@H]1C[C@H](C(=O)O)C(C)(C)[C@@H]1C 59432161 LWFAZDJFNGDVSA-YRGRVCCFSA-N 276.376 3.854 0 40 CHAB Cc1cc(F)ccc1NC(=O)N[C@H]1CCCC[C@H]1C 40103563 FGWAFLGSGJQXJO-MFKMUULPSA-N 264.344 3.834 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101067947 RJKCLOQTRSQISA-VIRABCJISA-N 287.428 3.796 0 40 CHAB Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 20586060 JIOYJPRWUOKBMQ-UHFFFAOYSA-N 291.276 3.686 0 40 CHAB in-vitro Cc1ccc(CN2C(=O)[C@@H](C)Oc3ccc(C)cc32)cc1 1328398 QLVUGLCDXKBHBF-CQSZACIVSA-N 281.355 3.618 0 40 CHAB C[C@@H]1CN(C)C[C@@H](C)C1(O)CCc1ccc2ccccc2c1 1425761 KMNOSAADKQHMHJ-HZPDHXFCSA-N 297.442 3.721 0 40 CHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C[C@@H](O)C[C@@H]12 4900138 SLNMIOMHGWEGBR-BIIJJZAFSA-N 286.415 3.912 0 40 CHAB c1coc(-c2nc(CN3CCOc4ccccc43)cs2)c1 60857024 PAMJTAIVLUVJBZ-UHFFFAOYSA-N 298.367 3.802 0 40 CHAB Cc1ccc(COc2ccc(C(=O)O)cc2Cl)cc1 7603883 GWUFNNNYVPVAAX-UHFFFAOYSA-N 276.719 3.926 0 40 CHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC(C)C 8041774 PWLPKANJXWCHPH-CQSZACIVSA-N 283.799 3.660 0 40 CHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CCCCC1 8049052 WDUONMJKSOGCRQ-HNNXBMFYSA-N 295.810 3.946 0 40 CHAB c1cncc(Oc2ncnc3sc4c(c23)CCCC4)c1 943184 DHJLJKDYANMUMO-UHFFFAOYSA-N 283.356 3.757 0 40 CHAB CN(C(=O)c1cc2ccccc2cc1O)c1ccccc1 35218905 XIAGBYSUZAJIHN-UHFFFAOYSA-N 277.323 3.822 0 40 CHAB Nc1ccc(-c2nnc(SCc3ccccc3)o2)cc1 26503615 VKIJYIVIALSNLJ-UHFFFAOYSA-N 283.356 3.611 0 40 CHAB C[C@@H](NC(=O)Nc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101494142 KVGMTVUPUOMKSE-RGCMKSIDSA-N 258.365 3.633 0 40 CHAB CCCOc1ccccc1NC(=O)Cc1ccccc1F 3354868 KCYBRYWDSUMCNN-UHFFFAOYSA-N 287.334 3.796 0 40 CHAB CC(C)c1ccc2oc(=O)cc(CN3CCCCC3)c2c1 2117710 RLUKXMWBYJBRHH-UHFFFAOYSA-N 285.387 3.902 0 40 CHAB biogenic C[C@@H]1c2ccsc2CCN1C(=O)CCc1cccs1 58406409 XIRZFCYKGRFJGM-LLVKDONJSA-N 291.441 3.888 0 40 CHAB CCOC(=O)c1c(-n2cccc2)sc2c1CCSC2 58634700 ICJATMXRHASUFZ-UHFFFAOYSA-N 293.413 3.505 0 40 CHAB in-vitro O=C(c1cccc(CN2CCC2)c1)c1ccccc1Cl 2515130 CMNRUGXEHMGPFX-UHFFFAOYSA-N 285.774 3.777 0 40 CHAB CCCN(CC)Cc1cccc(Br)c1 49595459 LMNSUYZWNAIYRQ-UHFFFAOYSA-N 256.187 3.681 0 40 CHAB C[C@H](NC(=O)NC1CCCC1)c1ccc(Cl)s1 13744948 NITMDVOICRJBOL-QMMMGPOBSA-N 272.801 3.704 0 40 CHAB C[C@@H]1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1 6266135 QJVSEAIJLDGOOL-SECBINFHSA-N 290.363 3.659 0 40 CHAB CC[C@H](C(=O)Nc1ccc(SC)nc1)c1ccccc1 65564862 CWJGXVHOPXRVEV-AWEZNQCLSA-N 286.400 3.936 0 40 CHAB Cc1ccc(NC(=O)CN2CCCc3ccccc32)c(C)c1 5687549 ZJWQGJHMSSEFNB-UHFFFAOYSA-N 294.398 3.695 0 40 CHAB CSc1nc(SC)c2c3c(sc2n1)CCC3 4836762 RISPHMOIJHMYIA-UHFFFAOYSA-N 268.432 3.624 0 40 CHAB O=C(c1ccccc1C(F)(F)F)N1CCc2ccccc21 6879234 VXDATTBVOWOVMY-UHFFFAOYSA-N 291.272 3.908 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19407533 ODROSXJGICEINC-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccccn2)c1 15807527 UXJRPBDXUWGUAB-CYBMUJFWSA-N 286.400 3.818 0 40 CHAB C[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccco1 8360192 ZNRNASUMBNXLDF-MNOVXSKESA-N 289.400 3.957 0 40 CHAB Cc1[nH]c2ccccc2c1CCNCc1cccc(F)c1 19798222 ZIZDYNOKEREKNZ-UHFFFAOYSA-N 282.362 3.948 0 40 CHAB C[C@H](CNC[C@H]1CCCO1)Oc1ccc(C(C)(C)C)cc1 19737908 SEYDLTAVGGJHPD-RHSMWYFYSA-N 291.435 3.520 0 40 CHAB CCOc1ccccc1CNC(=O)c1ccc(CC)cc1 72331621 KIEANRHULCRACY-UHFFFAOYSA-N 283.371 3.578 0 40 CHAB C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)NCc1ccco1 72334037 HECRTIIJPYRXOR-CKEIUWERSA-N 289.419 3.955 0 40 CHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Cl)c(Cl)c1 28236602 CINYCOLTPYHWPC-UHFFFAOYSA-N 298.173 3.596 0 40 CHAB COc1ccc2nc(C)cc(C(=O)OC3CCCC3)c2c1 95961169 HWSOKCLYWFISFF-UHFFFAOYSA-N 285.343 3.651 0 40 CHAB CCn1c(C)c(C)c2cc(C(=O)Nc3ccon3)ccc21 28224899 LFKIDHHNEHRZJW-UHFFFAOYSA-N 283.331 3.518 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1ccccc1C 55199471 SCDHHKYWDJPPOG-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB CC(C)(C)CC(=O)N1CCC[C@H]1c1cccs1 32865229 YFXQIFMFUIGAHW-NSHDSACASA-N 251.395 3.848 0 40 CHAB Cc1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1 34400332 IAXVDUFXJQIBSC-UHFFFAOYSA-N 282.554 3.914 0 40 CHAB CC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccccc1 36562513 ZVZWACWYMZXSOY-TUQDCPSNSA-N 295.382 3.976 0 40 CHAB COc1cccc(C[S@](=O)[C@@H](C)c2ccccc2F)c1 78556248 GHPZPTGGKDRUBW-FKIZINRSSA-N 292.375 3.844 0 40 CHAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccco2)C1 78185224 ZQTIYKDTBHAFIV-ZIAGYGMSSA-N 269.344 3.606 0 40 CHAB C[C@H]1CC(C)(C)N([C@H](C)C(=O)O)c2cc(Cl)ccc21 223829575 AAVNLVMKVSUKBQ-VHSXEESVSA-N 281.783 3.905 0 40 CHAB COC(=O)[C@H](C(C)C)N1c2ccccc2C(C)=CC1(C)C 223210663 YGRDGFZRSOKLPQ-INIZCTEOSA-N 287.403 3.886 0 40 CHAB Clc1cc(Br)c(-c2ccccc2)nn1 40564752 UCPHOSBKNXETOZ-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB COc1ccc(C)c2sc(NCc3ccccn3)nc12 42379486 NKMZCCRIGNWLLP-UHFFFAOYSA-N 285.372 3.620 0 40 CHAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccs1 49548652 MRQRRXXPYHDZRB-SECBINFHSA-N 275.377 3.823 0 40 CHAB O=C(Nc1ccc(F)cc1)Nc1cc(F)cc(F)c1 44844677 BCUCNDVZYNOOFM-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB CCCn1c(CCCCC(=O)O)nc2ccc(Cl)cc21 95095715 GYCMWMVCPDBSLR-UHFFFAOYSA-N 294.782 3.897 0 40 CHAB O=C(O)Cc1ccc(Nc2c(Cl)cccc2Cl)nc1 256054874 YDHBTUZRDWGEBA-UHFFFAOYSA-N 297.141 3.759 0 40 CHAB COc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc1 257289213 PXPFOFLWVBDZFD-VCQFHVMDSA-N 290.403 3.568 0 40 CHAB COc1cccc(OC)c1C(=O)c1cccc(C)c1C 95916792 LEDJIWRHAGKEOO-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB CCOc1cc(Br)c(Cl)cc1C(C)=O 953019836 XMAQKELKXCBABK-UHFFFAOYSA-N 277.545 3.704 0 40 CHAB CC(C)CC(=O)Nc1c(-c2ccccc2)nc2ccccn12 577595 IZUQEQZDCXKVHP-UHFFFAOYSA-N 293.370 3.986 0 40 CHAB CCOC(=O)c1c(Cl)cc(SC)cc1Cl 223859963 PYYRZDOYIRVFFO-UHFFFAOYSA-N 265.161 3.892 0 40 CHAB O=C(O)c1c(C(F)(F)F)ccc(Cl)c1Cl 12359281 BHQKUOSDTCYXEE-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB in-vitro COP(=O)(OC)[C@](C)(O)c1ccc(Cl)c(Cl)c1 5920948 AFNXUAYEZKBLDO-JTQLQIEISA-N 299.090 3.644 0 40 CHAB COc1ccc(C(=O)[C@@H](C)Oc2c(C)cccc2C)cc1 13896995 FGRPLSQBZPPPGJ-CQSZACIVSA-N 284.355 3.962 0 40 CHAB Cc1oc(-c2ccccc2)nc1CSc1nccn1C 14845852 RFBLLELFVPOHAV-UHFFFAOYSA-N 285.372 3.676 0 40 CHAB Cn1ccc([C@@H]2CCCCCN2Cc2cccc(F)c2)n1 19291082 DOEWEXJFCIZZGY-KRWDZBQOSA-N 287.382 3.677 0 40 CHAB FC(F)(F)c1ccc([C@H]2NCCc3ccccc32)cc1 19726650 YPHQWGSEPCKQEG-OAHLLOKOSA-N 277.289 3.941 0 40 CHAB N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 19969411 UDNDGNWVVJDOQI-CYBMUJFWSA-N 253.679 3.666 0 40 CHAB in-vitro c1ccc(SCCN2CCc3ccccc3C2)cc1 4472946 VWQFSNFMGSOQIG-UHFFFAOYSA-N 269.413 3.837 0 40 CHAB O=C(Cc1cccs1)Nc1ccc(OC(F)F)cc1 6329162 LTSLMDDTTRRNMK-UHFFFAOYSA-N 283.299 3.531 0 40 CHAB Cc1ccc(C)c(NC(=O)C2[C@@H]3[C@@H]4CC[C@H](C4)[C@@H]23)c1 100071502 VDPKAVIQEVJVSR-QHSBEEBCSA-N 255.361 3.534 0 40 CHAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCc1ccco1 40069676 YOUKBZMCKWXWQU-LSDHHAIUSA-N 277.408 3.933 0 40 CHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccccc1 20489148 GUIGGKWNQRCWJD-GFCCVEGCSA-N 289.762 3.770 0 40 CHAB COc1ccc(C(=O)c2c[nH]cc2-c2ccccc2)cc1 340713 RIZKZYOQACEMDQ-UHFFFAOYSA-N 277.323 3.921 0 40 CHAB Cc1ccc[n+](CCCCCCCC[n+]2cccc(C)c2)c1 1559963 PZUQDUYGARAPPM-UHFFFAOYSA-N 298.474 3.919 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)c1ccccc1O)C2 1694881 GAZVSNAEUUUDEK-PZSREKOKSA-N 274.360 3.764 0 40 CHAB CC[C@@H](C)Sc1nnc(Cc2ccccc2OC)o1 78838328 RVKUFGMNIKMECZ-SNVBAGLBSA-N 278.377 3.560 0 40 CHAB Cc1nc(C)c(C(=O)N[C@H](C)CCc2ccccc2)s1 32999964 MIQNBVHQBCLXNZ-LLVKDONJSA-N 288.416 3.511 0 40 CHAB c1nc(N2CCCCC2)c2c3c(sc2n1)CCCCC3 2890852 PCXINPCECFQLBP-UHFFFAOYSA-N 287.432 3.951 0 40 CHAB O=C1N[C@@H](c2cccc(Cl)c2Cl)Oc2ccccc21 4997896 UILYVAWLEHOCPC-CQSZACIVSA-N 294.137 3.814 0 40 CHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nccs1 4999346 LABFOXCPLPSUCL-MRVPVSSYSA-N 298.820 3.916 0 40 CHAB CCOc1ccc(NC(=O)Cn2ccc3ccccc32)cc1 6630827 UJURWTUKCIQMEE-UHFFFAOYSA-N 294.354 3.679 0 40 CHAB Cc1cccc(OCc2nc(-c3cccc(C)c3)no2)c1 532342 NHYCYMLEFJQTLX-UHFFFAOYSA-N 280.327 3.932 0 40 CHAB CCOc1cccc(C(=O)Nc2cccc3ncccc23)c1 556541 KKJLUHDUPYZQMX-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB Cc1ccc(-c2nc3ccc(C(=O)O)cc3o2)cc1 33420216 LKWQHXUIMJSQIF-UHFFFAOYSA-N 253.257 3.501 0 40 CHAB O=C(NCc1ccccc1Cl)c1cc(F)ccc1F 22595231 UEVWOELWYGYZSY-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CCOC(=O)CCc1cc(C(F)(F)F)cc(Cl)c1F 106490543 IWMNHTDTZBGVGM-UHFFFAOYSA-N 298.663 3.994 0 40 CHAB Cc1cc(SCC(=O)c2ccc3ccccc3c2)ncn1 1286627 WEOAWSBMZGUBRS-UHFFFAOYSA-N 294.379 3.913 0 40 CHAB CCOC(=O)c1nc(-c2cccc3ccccc23)[nH]c1C 52063973 BULJPUNWEGWHTE-UHFFFAOYSA-N 280.327 3.715 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc2ccccc2c1 3399187 YZMVBMHLLSLHSW-KSSFIOAISA-N 297.398 3.914 0 40 CHAB CCc1ccc2oc(-c3ccc(CN)cc3)nc2c1 12855215 BPISPIKEJOJPCD-UHFFFAOYSA-N 252.317 3.516 0 40 CHAB O=C(Nc1nccs1)C1(c2ccccc2)CCCC1 2512598 IUKNDYRHVWCOTH-UHFFFAOYSA-N 272.373 3.594 0 40 CHAB O=C(CSc1ccccc1F)Nc1cc(F)ccc1F 3473223 PKUCOQLABHOQER-UHFFFAOYSA-N 297.301 3.835 0 40 CHAB CSc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1 3409113 OYSFCVUHLZLMPG-UHFFFAOYSA-N 286.400 3.727 0 40 CHAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1C 20025565 VCMZQJQIPCLPMX-UHFFFAOYSA-N 277.270 3.534 0 40 CHAB Cc1ccc(-n2c(S)nnc2-c2ccccc2F)cc1 3885783 RVYSPEFCLAJJHX-UHFFFAOYSA-N 285.347 3.671 0 40 CHAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccco1 14017249 YGMZZJPBTDJNEE-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB CC(C)c1noc(CN[C@H](c2cccs2)C(C)C)n1 65554080 CZAMUTVDHNVAAV-ZDUSSCGKSA-N 279.409 3.741 0 40 CHAB NC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl 5346713 LRQQSLRJOKLNMZ-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB Cc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 14167223 CXPBHZAPTWQJPW-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB O=C1OC(c2cccs2)=N/C1=C\c1ccc(Cl)s1 14176302 KUPZOVCMPQXTJZ-VURMDHGXSA-N 295.772 3.808 0 40 CHAB Cc1ccc(C2=N/C(=C\c3ccc(F)cc3F)C(=O)O2)cc1 14229278 LUORTUJZTRAEPP-NVNXTCNLSA-N 299.276 3.618 0 40 CHAB COc1ccc(-c2cn3c(c2C)-c2cccn2CC3)cc1 4662521 UNJXZLSWMQXPGT-UHFFFAOYSA-N 278.355 3.954 0 40 CHAB O=S(=O)(Oc1ccc2ccccc2c1)c1cccs1 5605137 OUPKQBCRZUWBQZ-UHFFFAOYSA-N 290.365 3.669 0 40 CHAB Clc1ccc(Cl)c(-c2nc3ccccc3[nH]2)n1 18191845 SPTOENWMVZTMGQ-UHFFFAOYSA-N 264.115 3.932 0 40 CHAB C[C@@H]1CCCC[C@H]1NC1=NN=C(c2ccccc2)CS1 6930370 OZHGISCQMWQCGM-TZMCWYRMSA-N 287.432 3.662 0 40 CHAB Cc1cc(-c2nnc(CN3CCc4ccccc43)o2)c(C)o1 7348181 CWJIFZSRGYHFLT-UHFFFAOYSA-N 295.342 3.509 0 40 CHAB Cc1cccc(C)c1NC(=O)C[C@@H]1OC(=O)c2ccccc21 15992387 SXSYGZPAQBZQJW-HNNXBMFYSA-N 295.338 3.544 0 40 CHAB O=C(c1cccnc1)N(CC(F)F)c1cccc(Cl)c1 84367825 QGPNCSZQPLYJPH-UHFFFAOYSA-N 296.704 3.647 0 40 CHAB COc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 9451253 MWVHYOZCMQDSMM-AWEZNQCLSA-N 299.395 3.662 0 40 CHAB C[C@H](c1ccco1)N(C(=O)NC(C1CC1)C1CC1)C1CC1 84661207 RZRDILWYYPEBQR-LLVKDONJSA-N 288.391 3.703 0 40 CHAB Cc1cnn(CCN[C@H](C)c2ccc3ccccc3c2)c1 89702502 KKSYXAFLISBPMU-OAHLLOKOSA-N 279.387 3.696 0 40 CHAB O=C(NCc1cc(-c2ccccc2)on1)C1CCCCC1 21009906 WSSOHLYIDDUFSO-UHFFFAOYSA-N 284.359 3.538 0 40 CHAB C[C@H]1CCCN(Cc2cc(F)ccc2Br)C1 309538445 FTLVQNACQAKORR-JTQLQIEISA-N 286.188 3.820 0 40 CHAB Fc1ccccc1-c1nnc(-c2ccccc2F)o1 156620 HOVHSZHGKDKRMF-UHFFFAOYSA-N 258.227 3.682 0 40 CHAB biogenic CCCCN1CCC[C@H]1c1cnc(Cl)c(C)c1 72217786 VPFQJANWZRRKAB-ZDUSSCGKSA-N 252.789 3.980 0 40 CHAB O=C1CCC[C@@H]1[C@@H]1CCCCCN1Cc1ccccc1 217464416 OMWBVERYXPTJQI-SJORKVTESA-N 271.404 3.800 0 40 CHAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccccc1 45888495 FGBNLTDWNYYWEO-UHFFFAOYSA-N 297.383 3.748 0 40 CHAB Cc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)c(C)c1 225418452 JXJNLRSAYZHPIM-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB Cc1ccccc1[C@H](NCc1cnn(C)c1)C(C)(C)C 80347487 CFEFNAFKVNKKGN-INIZCTEOSA-N 271.408 3.606 0 40 CHAB CCn1c(CNCc2ccco2)ccc1CC(C)C 226020390 WEYVYUCIPMSXOG-UHFFFAOYSA-N 260.381 3.589 0 40 CHAB CCC[n+]1cccc(-c2nc3ccc(C)cc3s2)c1 226773314 DKAGRHLTUSDZFT-UHFFFAOYSA-N 269.393 3.969 0 40 CHAB CCOC(=O)c1cc(N)ccc1N[C@H](C)c1ccccc1 41079983 YZDFZDWRJBFVKQ-GFCCVEGCSA-N 284.359 3.619 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cnc(C3CC3)nc2C)c1 222561800 NIXXDNQBQMEEJK-UHFFFAOYSA-N 281.359 3.532 0 40 CHAB COCC(=O)Nc1ccc(CSc2ccccc2)cc1 225846173 IYJFTDAPBDGQNV-UHFFFAOYSA-N 287.384 3.564 0 40 CHAB Cc1cccc([C@@H]2CCCN2Cc2cccc3cn[nH]c23)n1 93453331 ZJRPLMJWLUSZHQ-KRWDZBQOSA-N 292.386 3.603 0 40 CHAB CCOC(=O)CCCCOc1ccc(F)c(Cl)c1 95734018 IGAURJKNMQFVIT-UHFFFAOYSA-N 274.719 3.591 0 40 CHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1Cl)c1cc(Cl)c[nH]1 585125645 UFVKUPMLNXLRNO-ZYHUDNBSSA-N 295.169 3.607 0 40 CHAB COc1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1OC 581888 CAPNZWDXHQLNOI-DHZHZOJOSA-N 297.354 3.664 0 40 CHAB FC(F)c1c(Br)cncc1Br 238546035 RLRAUAVFQHWDSG-UHFFFAOYSA-N 286.901 3.544 0 40 CHAB COc1ccccc1NC(=O)/C=C/c1ccc(C)s1 5754416 UFNWRZPHZYQJMQ-MDZDMXLPSA-N 273.357 3.717 0 40 CHAB C[C@H](c1ccccc1)N1C(=O)CS[C@@H]1c1ccc(O)cc1 5532845 FNWJXJUQGDYTCV-SJKOYZFVSA-N 299.395 3.727 0 40 CHAB Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)s1 11428770 UCWFKQUNAKZMRP-QMMMGPOBSA-N 292.429 3.890 0 40 CHAB O=C(NC1CCCC1)N1CCC[C@@H]1c1cccs1 30983935 BMENXZNKJLRGCC-GFCCVEGCSA-N 264.394 3.537 0 40 CHAB CCCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 4276152 VCBDQRRVPDYRRD-UHFFFAOYSA-N 279.727 3.519 0 40 CHAB O=C1C[C@@H](c2ccsc2)c2c(-c3ccccc3)n[nH]c2N1 9110408 WEBWRLRWQDQEKH-LBPRGKRZSA-N 295.367 3.612 0 40 CHAB Cc1ccc(-c2csc(Br)n2)cc1 32500066 GVZVUOXJUMFTQW-UHFFFAOYSA-N 254.152 3.881 0 40 CHAB in-vitro Cc1ccc(Sc2ccc(C(=O)N3CCCC3)cn2)cc1 32891751 MAZYJKRLHJMBKW-UHFFFAOYSA-N 298.411 3.777 0 40 CHAB c1cncc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 29832949 SGICBQFPSWPUSF-OAHLLOKOSA-N 293.370 3.602 0 40 CHAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)Oc2ccccc21 179907 PXRZMXYWGNJDSU-CQSZACIVSA-N 293.244 3.526 0 40 CHAB O[C@@H](c1cc2c(c3ccccc13)CCCC2)[C@H]1CCCCN1 1706370 OBRVSZOCVKHAJH-UXHICEINSA-N 295.426 3.894 0 40 CHAB N=C(N)c1cccc(-c2ccc(-c3ccccc3)o2)c1 1758873 AGTWFBRZEUTXOZ-UHFFFAOYSA-N 262.312 3.898 0 40 CHAB CCCC[C@@H](CC)OC(=O)c1ccc(OC)cc1 2046257 CYMXXLBPFSZFQS-CYBMUJFWSA-N 250.338 3.821 0 40 CHAB Cc1ccc(NC(=O)N(CC(C)(C)O)C(C)C)cc1Cl 79108981 XKQQFYMFNACSQQ-UHFFFAOYSA-N 298.814 3.662 0 40 CHAB C=C/C(C)=C(\C=C(C)C)N(C(C)=O)C1=NCCCS1 4966983 IKYWWLISLIVOJH-WYMLVPIESA-N 278.421 3.754 0 40 CHAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1ccc(Cl)cc1 6469092 JNOWYVJFSSTAPA-QWRGUYRKSA-N 281.787 3.639 0 40 CHAB CCNCc1cccc(OCc2ccccc2F)c1 6497339 HMBILZWWBUQWOP-UHFFFAOYSA-N 259.324 3.514 0 40 CHAB CN1C(=O)/C(=C/c2c(F)cccc2Cl)c2ccccc21 6497689 ZTYXVPTYKFGIEW-PKNBQFBNSA-N 287.721 3.996 0 40 CHAB c1cc2c(cc1-c1csc(NC3CC3)n1)CCC2 7274773 OYDGMRAYIWEYME-UHFFFAOYSA-N 256.374 3.873 0 40 CHAB c1ccc(C2CCC(NCCN3CCCCC3)CC2)cc1 22455557 SBBJRPKKJXFABN-UHFFFAOYSA-N 286.463 3.788 0 40 CHAB C[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 795297 CJQHQEGHFYQVSM-LBPRGKRZSA-N 295.810 3.756 0 40 CHAB O=c1[nH]c2c(s1)C1(CCCC1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101262432 KHMQOKBUWRJFJO-ZNSHCXBVSA-N 293.457 3.769 0 40 CHAB COc1cnc(-c2cccc(C(F)(F)F)c2)nc1Cl 1384028 XPWKWBAVPCYHES-UHFFFAOYSA-N 288.656 3.824 0 40 CHAB O=C(Nc1nc2ccccc2s1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100335169 XFJCAJSVGYJLDR-GMTAPVOTSA-N 272.373 3.671 0 40 CHAB CCOc1ccccc1CNC(=O)Nc1ccc(F)cc1 44845292 MTOSZVKZMHPRGZ-UHFFFAOYSA-N 288.322 3.546 0 40 CHAB Cc1ccnc(NC(=O)c2csc3c2CC[C@@H](C)C3)c1 27647206 RLTOLDVKVFKJFJ-SNVBAGLBSA-N 286.400 3.829 0 40 CHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1cccnc1 10262215 GJRMHAUTOYGYEO-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccco1 3329975 ZKQCCNKYYIXCEG-UHFFFAOYSA-N 298.245 3.559 0 40 CHAB Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@@H](C)C2 20632774 AQWQODNSYKMIMO-VIFPVBQESA-N 274.751 3.599 0 40 CHAB CCCCNc1ncnc2c1[nH]c1ccc(OCC)cc12 2329630 HZKNHIYJPDKEMO-UHFFFAOYSA-N 284.363 3.722 0 40 CHAB CC(C)(C)OC(=O)N1CCCCc2ccc(Cl)nc21 21989978 IRSVDPRIUKSVFH-UHFFFAOYSA-N 282.771 3.813 0 40 CHAB Cc1nc(N[C@H](C)c2ccc(Cl)cc2)sc1C(=O)O 20156586 GUGOXVJHYHTQMZ-SSDOTTSWSA-N 296.779 3.976 0 40 CHAB C[C@@H]1c2cccn2CCN1Cc1cc(-c2cccs2)on1 12780887 DHMWYVVTBSTGPV-GFCCVEGCSA-N 299.399 3.781 0 40 CHAB O[C@H](CNCc1ccccc1)c1ccccc1C(F)(F)F 48555432 AEWYIHDASOFNPG-OAHLLOKOSA-N 295.304 3.529 0 40 CHAB in-vitro Cc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)s1 12986839 LBZJFZNFYXLAFY-JTQLQIEISA-N 280.418 3.771 0 40 CHAB CC(C)Sc1nc2cc(Br)ccc2[nH]1 13555978 ZPRSDAXDIJBDPU-UHFFFAOYSA-N 271.183 3.826 0 40 CHAB CC(C)c1ccc(C(=O)NCc2cccs2)cc1 5912519 VOEJUMKFBDYPQO-UHFFFAOYSA-N 259.374 3.802 0 40 CHAB CCCc1cc(C(=O)Nc2nccs2)sc1C 7654907 BQALGOJMMCOAIM-UHFFFAOYSA-N 266.391 3.718 0 40 CHAB CCN(CC)C(=S)Nc1ccc2nc(C)sc2c1 408978510 MPAVHWSKTGQENH-UHFFFAOYSA-N 279.434 3.643 0 40 CHAB O=C1CCCN1c1ccc(-c2csc(NC3CC3)n2)cc1 8297366 NBBSDEMGEDSEDY-UHFFFAOYSA-N 299.399 3.511 0 40 CHAB CC(C)n1ccc2c(C(=O)Nc3nccs3)cccc21 72406244 XLMHYQLYBRSDGO-UHFFFAOYSA-N 285.372 3.931 0 40 CHAB CC(C)CO[C@@H]1C[C@@H](OC(=O)c2ccccc2)C1(C)C 84544348 IIMWHXABNWSQRS-HUUCEWRRSA-N 276.376 3.683 0 40 CHAB C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CCC2=O 35565311 BHTWZQKERRCPRZ-NUJGCVRESA-N 270.372 3.762 0 40 CHAB Cc1cccnc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72211160 BOAUQJOZJZGBKC-CYBMUJFWSA-N 276.380 3.852 0 40 CHAB COc1cccc([C@@H]2CCCN2C(=O)C2CCCC2)c1 32889859 ZXBJAIYWHAZUKF-INIZCTEOSA-N 273.376 3.549 0 40 CHAB CC(C)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359296 ZMKGJLOTGSMCRX-UHFFFAOYSA-N 299.393 3.871 0 40 CHAB Cc1ccc2nc(C)c(C(=O)NC3CCCCCCC3)n2c1 71476686 AEDWVTQTYDIVJR-UHFFFAOYSA-N 299.418 3.794 0 40 CHAB O=C(O)c1cc(Cl)c(OCc2cccnc2)c(Cl)c1 216847017 IIIOVQUJDAGGRJ-UHFFFAOYSA-N 298.125 3.666 0 40 CHAB c1ccc(Oc2ncccc2[C@@H]2CCCCN2)cc1 72212211 XLBLZEAWCCWOOE-HNNXBMFYSA-N 254.333 3.689 0 40 CHAB Cc1cnccc1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 120508203 QTGRWTKZRXHEST-SWLSCSKDSA-N 299.374 3.988 0 40 CHAB CC[C@@H](C)Cc1c(C)sc2nc(SC)[nH]c(=O)c12 49068503 RIIXASPJTFUZPG-SSDOTTSWSA-N 282.434 3.604 0 40 CHAB CCCN(c1cccc(Cl)c1C)[C@@H](CC)C(=O)O 224991620 YEVDSIDDXGWNHP-LBPRGKRZSA-N 269.772 3.728 0 40 CHAB CCC(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 223410422 KWUHCVGYFNHXFZ-CYBMUJFWSA-N 261.365 3.595 0 40 CHAB Cc1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)cc1 226756471 RAYFQXAIXVSKSO-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB O=C1CCCc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c21 96511238 QZRQRBIPNKGYCQ-UHFFFAOYSA-N 281.142 3.903 0 40 CHAB CC(C)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257262231 LKRCAOHABPXQBC-MRXNPFEDSA-N 288.366 3.950 0 40 CHAB COc1ccc2c(c1)[C@H]1O[C@@H](C)CC[C@@H]1C(C)(C)O2 257325040 WREWIIIBBLFJDV-VZJVUDMVSA-N 262.349 3.722 0 40 CHAB Cc1c[nH]c([C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)n1 257303459 SHIKPNBTUMSCHW-CQSZACIVSA-N 294.402 3.579 0 40 CHAB CC(C)([C@@H]1CCCO1)[C@@H]1CC[C@@H](C(C)(C)[C@@H]2CCCO2)O1 255188834 LXSJUNVCYSIBBZ-VGWMRTNUSA-N 296.451 3.944 0 40 CHAB COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)[nH]n1 824165471 ABOHQVVWVKGQMB-UHFFFAOYSA-N 284.359 3.911 0 40 CHAB CC(C)Sc1nnc(-c2ccc(OC(F)F)cc2)o1 60386023 SDOJYBXQOSDZNH-UHFFFAOYSA-N 286.303 3.839 0 40 CHAB CC[C@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 284838 FXKVQPZYZCTTGF-ZDUSSCGKSA-N 253.345 3.882 0 40 CHAB C[C@@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@H]2C(=O)CCC[C@H]12 5103721 LLKGFONIEWUPGG-ZJHPLYRQSA-N 290.447 3.959 0 40 CHAB Cc1cccc(OCCn2c(C=O)nc3ccccc32)c1C 11735055 MLWFWRLXPDVCRC-UHFFFAOYSA-N 294.354 3.545 0 40 CHAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCCCC1 13708820 NNWYXCZFVYXTHD-AWEZNQCLSA-N 283.371 3.620 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc(Cl)o1 13018795 VQJYNDQDQCHRLZ-UHFFFAOYSA-N 265.696 3.502 0 40 CHAB Nc1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1 19771757 NAXHXNDHUUUWLS-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CC(C)(C)C(=O)OCc1ccc(C(F)(F)F)cc1 165551 CYLJUQRCUPNCST-UHFFFAOYSA-N 260.255 3.795 0 40 CHAB O[C@@]1(C(F)(F)F)ON=C2/C(=C/c3ccccc3)CCC[C@@H]21 4269882 RHOOTQAOZKPADG-KVLWQBRYSA-N 297.276 3.507 0 40 CHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cccc(Cl)c1 29799334 CCOSCLBQGYMJLY-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB CCCC(=O)Nc1nc2c(SC)cccc2s1 5299263 MLVXTUFKIXZSAH-UHFFFAOYSA-N 266.391 3.757 0 40 CHAB COc1ccc(C(=O)c2cccc(C)c2C)cc1F 35423858 GGFPMCMBBMZYBO-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1-c1ccco1 100887965 BMFYLIVNFBIFOS-FIQHERPVSA-N 289.404 3.824 0 40 CHAB in-vitro CSc1ccc(C(=O)Cc2ccc(F)cc2)cc1 92230308 ZRDPBDKPWLKWKR-UHFFFAOYSA-N 260.333 3.973 0 40 CHAB CCN(CC)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 461236 KHTYTECZYNVANU-JJRVBVJISA-N 286.419 3.908 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)c1cc2ccccc2o1 3565453 YIFOOCKHEKQPIN-UHFFFAOYSA-N 273.238 3.963 0 40 CHAB O=C(CCC1CCCC1)N[C@H]1CCc2ccccc21 22009011 LMZWFOXOTDWKOJ-INIZCTEOSA-N 257.377 3.761 0 40 CHAB CCNCc1cccc(OCc2ccc(F)cc2)c1 6326210 PBHZOWCWYNQCRE-UHFFFAOYSA-N 259.324 3.514 0 40 CHAB CC[C@@H]1CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 41638891 AFDVLQDOBGOOOK-CYBMUJFWSA-N 274.364 3.543 0 40 CHAB CCCCNC(=O)Cc1ccc(-c2ccccc2)cc1 57336672 GSLBOIURDCLTMG-UHFFFAOYSA-N 267.372 3.812 0 40 CHAB CCc1ccc2occ(CC(=O)Nc3cccnc3)c2c1 9409384 MOARAZQRQBKNAC-UHFFFAOYSA-N 280.327 3.571 0 40 CHAB CC(C)(C)c1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 12540843 XIOWZQFRCYCOBF-UHFFFAOYSA-N 294.358 3.508 0 40 CHAB CCC[C@@H](C(=O)Nc1cccc(C)n1)c1ccccc1 12544183 FSZOLQUYDXFRFI-OAHLLOKOSA-N 268.360 3.912 0 40 CHAB Cc1ccsc1C(=O)N[C@H](C)c1cccs1 25314051 TZQXNLPVOCEZSO-SECBINFHSA-N 251.376 3.609 0 40 CHAB CCc1ccsc1C(=O)N(Cc1ccccn1)C(C)C 56097802 IVNMYEMIYLGPBX-UHFFFAOYSA-N 288.416 3.756 0 40 CHAB Cc1cccnc1NC(=O)Cc1ccc(CC(C)C)cc1 12551833 BUAKMPGYOCXEJF-UHFFFAOYSA-N 282.387 3.770 0 40 CHAB Cc1cccc(NC(=O)c2ccc(F)c(F)c2F)c1 28210569 WTJLHQPBQOVBQD-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB Cc1ccc(N[C@H](C)C(=O)N(C(C)C)C(C)C)c(C)c1 58161540 CGQQFOLAZKVVIZ-OAHLLOKOSA-N 276.424 3.749 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20137488 IRLCNRGKLOQUBX-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)COc2ccccc2C)cc1 22743774 BKLSQKVRMBZYOK-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)NCc1ccccc1Cl 3562356 MTKVNYMOILMQFN-JXMROGBWSA-N 289.737 3.809 0 40 CHAB CC(C)(C)CCNC(=O)c1[nH]c2ccccc2c1Cl 49216203 DFNRCTFWYWFSFL-UHFFFAOYSA-N 278.783 3.987 0 40 CHAB CN(C)CCC(=O)[C@@H](Cc1ccccc1)c1ccccc1 4128115 CKBPBVOQBKBRML-SFHVURJKSA-N 281.399 3.534 0 40 CHAB CC(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 6016172 IJBQHEVYQJLVDU-UHFFFAOYSA-N 294.445 3.655 0 40 CHAB OCCn1c(-c2ccccc2)cc(=S)c2c1CCCC2 4313675 YYNOBLQWUHZNLI-UHFFFAOYSA-N 285.412 3.756 0 40 CHAB CC(C)(C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 60675938 TUNROXUXOWDWJS-UHFFFAOYSA-N 277.408 3.525 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)COc1ccccc1 4699012 SMWMQWCDOPFOQQ-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2c(C)cccn12 19898721 MASDNHQRUZVFAB-UHFFFAOYSA-N 299.761 3.922 0 40 CHAB Cc1ccc(-n2nc(-c3ccccc3)cc2N)c(C)c1 20281612 WWHPUCFZLVPWMP-UHFFFAOYSA-N 263.344 3.738 0 40 CHAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C1CC1 7740667 PTFNCIJVHLEWIX-AWEZNQCLSA-N 279.383 3.733 0 40 CHAB CN(Cc1ccccc1F)C(=O)Cc1c[nH]c2ccccc12 8284681 CFDSTJSOAUPMEI-UHFFFAOYSA-N 296.345 3.508 0 40 CHAB CC(C)OCCCNCc1csc(-c2ccccc2)n1 8235692 ZTOJDLRZWXPLMU-UHFFFAOYSA-N 290.432 3.715 0 40 CHAB CCn1c(SC[C@@H]2CCCOC2)nc2ccccc21 83843348 MOYUPIPOLZKIDA-GFCCVEGCSA-N 276.405 3.575 0 40 CHAB COc1cc(OC)c(NC(=O)[C@@H]2CC=CCC2)cc1Cl 9836344 UALWXYCUZFFTPO-SNVBAGLBSA-N 295.766 3.652 0 40 CHAB c1cnc2sc(CN3CCC[C@H]3C3CCCC3)nc2c1 89807769 IUJIWSLYCNAMTN-AWEZNQCLSA-N 287.432 3.846 0 40 CHAB Cc1csc(NC(=O)c2nc(C)sc2CC(C)C)n1 72404992 FCOYOBMAPACILC-UHFFFAOYSA-N 295.433 3.667 0 40 CHAB COc1cc(Cl)c2[nH]c(-c3ccc(C)c(N)c3)nc2c1 216917829 ZYGKDAICZJGXEF-UHFFFAOYSA-N 287.750 3.783 0 40 CHAB CC(C)CCCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 32803432 KHLHCHNLZVBHRU-LLVKDONJSA-N 284.350 3.761 0 40 CHAB COc1ccc(-c2nc3cc(Cl)ccc3[nH]2)c(OC)c1 70270090 UHZMGRBJIDRHGX-UHFFFAOYSA-N 288.734 3.901 0 40 CHAB CC[C@@H](N)c1ccc(Sc2ccccc2)nc1C 72224232 DWVILWVTNZUHFO-CQSZACIVSA-N 258.390 3.951 0 40 CHAB CC(C)(C)CC(=O)N1CCC[C@H]1c1ccc(F)cc1 32904263 GLCAVSOMSKMZQG-AWEZNQCLSA-N 263.356 3.925 0 40 CHAB CCCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1C 225603457 BBKSLOCAPQMSRO-INIZCTEOSA-N 279.380 3.537 0 40 CHAB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1Cl 43879330 AJTOSXBKVUQNOE-GHMZBOCLSA-N 280.751 3.804 0 40 CHAB CCCCn1c(C)c(CNCC)c2cc(O)ccc21 223761533 XUZUJUYNGIUJQA-UHFFFAOYSA-N 260.381 3.565 0 40 CHAB C[C@@H](C(=O)Nc1ccccc1)n1cc(-c2ccccc2)cn1 227165799 ZPQVBXSWJOQMTP-AWEZNQCLSA-N 291.354 3.750 0 40 CHAB CCCn1c(C)c(CNCC)c2cc(OCC)ccc21 223762452 STWGQGFPUVWIBQ-UHFFFAOYSA-N 274.408 3.868 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)C1CCCC1 40467695 WPMOTJPMXLTOMO-ZDUSSCGKSA-N 263.406 3.774 0 40 CHAB O=C(CCC(=O)c1ccccc1F)c1cccs1 221777530 SAVMHRMGQRZDLM-UHFFFAOYSA-N 262.305 3.733 0 40 CHAB CCOc1ccc(NC(=O)c2nc3ccccc3s2)cc1 339576124 FELQPEKMHCMVMH-UHFFFAOYSA-N 298.367 3.947 0 40 CHAB O[C@@H]1CCCC[C@H]1c1ccc(OC(F)(F)F)cc1 95740101 WLQQMDQMFWCOAF-NWDGAFQWSA-N 260.255 3.604 0 40 CHAB CC[C@@H](C)Nc1ncc(C(F)(F)F)cc1Cl 20557457 BZASFESHTCFZEO-ZCFIWIBFSA-N 252.667 3.964 0 40 CHAB O=C(CCc1ccc(Cl)cc1Cl)N1CCCC1 44595901 JKMNHYMGIJMLKN-UHFFFAOYSA-N 272.175 3.548 0 40 CHAB C=Cc1ccc(O[C@H](C)OCC)c(O[C@H](C)OCC)c1 146267514 XVPZIOWIVKQPLK-CHWSQXEVSA-N 280.364 3.852 0 40 CHAB CCN(CC)Cc1c(-c2ccco2)[nH]c2ncccc12 12222116 YCCQUNOKKVSYOU-UHFFFAOYSA-N 269.348 3.665 0 40 CHAB Cc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 13770027 LJIMDCQFCWUPIF-UHFFFAOYSA-N 289.402 3.746 0 40 CHAB c1ccc(C2(c3ccccc3)C[C@@H]2c2ncc[nH]2)cc1 5117341 YHOXISQVIBOZGS-MRXNPFEDSA-N 260.340 3.883 0 40 CHAB in-vitro CCOc1cc(CNc2ccccc2CC)ccc1O 19956353 ZOJSAKBPVAPOCU-UHFFFAOYSA-N 271.360 3.965 0 40 CHAB CC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)F 1888870262 RGVKFFSCSSXHHB-UHFFFAOYSA-N 293.317 3.733 0 40 CHAB COCc1cccc(NC(=O)c2cn(C)c3ccccc23)c1 25822973 HSVBVKGETRWTJX-UHFFFAOYSA-N 294.354 3.577 0 40 CHAB Fc1cccc(-c2noc(-c3cccnc3Cl)n2)c1 34797737 ONXRWDPJRIRDMU-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB O=C(O)Cc1cc(Cl)ccc1OCc1ccccc1 3750790 XMJBFDFCLGBCPG-UHFFFAOYSA-N 276.719 3.546 0 40 CHAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1ccsc1 40107756 UCNKGQDUFYXHNY-AWEZNQCLSA-N 297.383 3.602 0 40 CHAB CC(=O)c1cccc(NC(=O)CC2CCCCC2)c1 20252518 ICFLJJGUOGVZBR-UHFFFAOYSA-N 259.349 3.798 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(Cl)o1 31793232 JJGIRHWESGOSFU-SNVBAGLBSA-N 293.775 3.900 0 40 CHAB O=C(Cc1cccc2ccccc12)Nc1ccccc1O 363711 DRDQPWMZNWCFIX-UHFFFAOYSA-N 277.323 3.727 0 40 CHAB CCCCCc1c(C)nc2nc3ccccc3n2c1O 101968122 JKEAQCLDIFDXJX-UHFFFAOYSA-N 269.348 3.629 0 40 CHAB COc1ccc(OC(=O)N(C)c2ccc(C)cc2)cc1 79619 DKUZEBWZCWPDQE-UHFFFAOYSA-N 271.316 3.639 0 40 CHAB CCCn1c(=O)n(C/C=C/c2ccccc2)c2ccccc21 21649917 KNMIGJWZELGTIJ-DHZHZOJOSA-N 292.382 3.926 0 40 CHAB CCC(=O)c1ccc(OC(=O)c2cccs2)cc1 323559 MZROYFBBXLZXKS-UHFFFAOYSA-N 260.314 3.560 0 40 CHAB CN(C)Cc1ccc(Sc2cccc(O)c2)cc1 346605 XJCYSQZWEGTBDE-UHFFFAOYSA-N 259.374 3.605 0 40 CHAB Cc1ccc(Nc2ccc(C(=O)NC3CCCC3)cn2)cc1 1341005 UTJFGUJTPYAEQU-UHFFFAOYSA-N 295.386 3.806 0 40 CHAB CC(C)C[C@@H]1C(=O)NCCc2c1[nH]c1ccc(Cl)cc21 77024461 SPTWXIHUPUVJAE-ZDUSSCGKSA-N 290.794 3.623 0 40 CHAB c1ccc(CC[C@H](Cc2cccnc2)c2ccccn2)nc1 1562928 FHTSHKPFNXANBB-QGZVFWFLSA-N 289.382 3.831 0 40 CHAB CCCC[C@H](CC)C(=O)O[C@H](C)C(=O)Nc1ccccc1 1641158 OWGNFZPHTFMKSU-KGLIPLIRSA-N 291.391 3.773 0 40 CHAB CCC[C@@H](C)NC(=O)Cc1cccc(C(F)(F)F)c1 32962427 GLQDULNXQMHYCV-SNVBAGLBSA-N 273.298 3.553 0 40 CHAB CCc1ccc(NC(=O)Cc2ccccc2F)cc1 3566893 AKQVZUPWBIJNNU-UHFFFAOYSA-N 257.308 3.569 0 40 CHAB c1csc(-c2nnc(SC3CCCC3)o2)c1 41384639 IEHBCOJFXRLTRQ-UHFFFAOYSA-N 252.364 3.833 0 40 CHAB CCn1c(SC/C=C(\C)Cl)nc2ccccc2c1=O 547963 SRDXTJKLSZRMAX-CSKARUKUSA-N 294.807 3.651 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101409705 KHRSAXBMJLFWDF-GIPNMCIBSA-N 294.192 3.824 0 40 CHAB C[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCN2C1 3176041 HBGSSXPVPKMKAU-SJKOYZFVSA-N 254.377 3.671 0 40 CHAB biogenic O=C1c2ccccc2[C@]2(Br)[C@H]1[C@@H]1CC[C@@H]2C1 101038048 DTGPQHLJVNVICK-KZOHCQCBSA-N 277.161 3.519 0 40 CHAB C[C@@H]1CCCN(C(=O)/C=C/c2cccc3cccnc23)CC1 58430005 KYNDCGBUPVPNMH-BOLDSZDNSA-N 294.398 3.897 0 40 CHAB CCSc1ccc(NC(=O)N2CCCCCC2)cn1 58438986 XPQOYBYQDZUNSJ-UHFFFAOYSA-N 279.409 3.602 0 40 CHAB CC(C)Nc1nnc(SCCOc2ccccc2)s1 3383249 SVJRXLHIZTUXIM-UHFFFAOYSA-N 295.433 3.530 0 40 CHAB c1csc(-c2nc(NC3CC3)c3ccccc3n2)c1 3361612 CARSQURVOBNSBE-UHFFFAOYSA-N 267.357 3.933 0 40 CHAB Cc1cccc(C(=O)c2ccccc2CN2CCCC2)c1 2515543 MMIBBXVEQMFSAL-UHFFFAOYSA-N 279.383 3.822 0 40 CHAB O=C(O)c1cc(C2CC2)nc2c1cnn2C1CCCCC1 22169547 CTSATCKBTPWPCA-UHFFFAOYSA-N 285.347 3.512 0 40 CHAB CC(C)(C)c1nc2ccc(NC(=O)c3ccccn3)cc2[nH]1 29871480 FXJHFANNFGSBGF-UHFFFAOYSA-N 294.358 3.508 0 40 CHAB CC[C@@H](C)C(=O)Nc1nc2c(C)cc(C)cc2s1 12920077 ZFKYHDMAGKSVTP-SECBINFHSA-N 262.378 3.898 0 40 CHAB COc1ccc(-c2ccnc(-c3ccc(O)cc3)n2)cc1 13125630 DKFBCULBTJRMBM-UHFFFAOYSA-N 278.311 3.525 0 40 CHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(F)c1 6347229 ITKBEAWUFBYSPH-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB Cc1ccc2c(CC(=O)NCc3ccc(F)cc3)coc2c1 6302143 IKVOPEGJEHCQPN-UHFFFAOYSA-N 297.329 3.739 0 40 CHAB O=C(c1cccc(F)c1)N1CCc2cc3ccccc3nc21 15841747 BYDFAKKTTRQSAK-UHFFFAOYSA-N 292.313 3.577 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc(C)ccc2O)c1 19840449 AFNYKEQFMOWKID-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB Cc1ccc([C@@H](CN[C@H](C)CC(C)C)N2CCCC2)o1 97016736 YYWWDHGYCMJTQP-GDBMZVCRSA-N 278.440 3.749 0 40 CHAB CCO[C@H](C)c1nc(CN(C)c2cccc(C)n2)cs1 97096472 ZNAJHVHXUFYMKK-GFCCVEGCSA-N 291.420 3.580 0 40 CHAB Fc1cc(F)c(OC(F)(F)Cl)c(Br)c1 95215762 GYINNXCAZSTDRV-UHFFFAOYSA-N 293.441 3.895 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2nnc(-c3ccco3)s2)c1 9913028 PPQAKFFXAKUPOM-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB Clc1ccc(COC[C@@H]2CCCCN2)cc1Cl 28521934 DPPWDCSDDCSVPZ-NSHDSACASA-N 274.191 3.652 0 40 CHAB Cc1ccc(N/C=C2\SC(=O)N(CC(C)C)C2=O)cc1 36636222 BBGMMLJNMMUDNP-JYRVWZFOSA-N 290.388 3.600 0 40 CHAB CCCCN1CCCC[C@H]1c1cnc(OC)c(C)c1 72217746 WLRPOAYLXWZBFG-HNNXBMFYSA-N 262.397 3.726 0 40 CHAB Cc1ccnc(C(=O)c2ccc(C(F)(F)F)cc2)c1 45028596 QYFWOHQNGKDEJX-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1cccc(NC(=O)NC[C@H](C)N(C)c2ccccc2)c1 48325229 OZLJOVLCSSQZNI-HNNXBMFYSA-N 297.402 3.641 0 40 CHAB C[C@H]1C[C@@H](C)CN(Cc2c(C3CC3)[nH]c3ncccc23)C1 72393358 XDHNHUSEJYPHFQ-BETUJISGSA-N 283.419 3.918 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)CCc1ccccc1 40621030 JHDXDHKBUDYNNZ-UHFFFAOYSA-N 281.399 3.757 0 40 CHAB COc1ccccc1[C@H](O)c1ccccc1Br 43560664 VLZIIBHWZTVSLH-CQSZACIVSA-N 293.160 3.539 0 40 CHAB Cc1ccccc1OCC(=O)N[C@@H](C)CCc1ccccc1 49535388 JLQWUDLJLPFWEZ-INIZCTEOSA-N 297.398 3.511 0 40 CHAB COc1cccc(-c2nc3ccc(C)cc3[nH]2)c1OC 41066095 VUKLIOBZMBOJBK-UHFFFAOYSA-N 268.316 3.556 0 40 CHAB CCOC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 85396966 QOFLVHSJVUIROK-ZZXKWVIFSA-N 278.657 3.935 0 40 CHAB NCc1ccc(-c2ccc(Cl)cc2)nc1Cl 89261635 UQCVFXUHHNEUDS-UHFFFAOYSA-N 253.132 3.514 0 40 CHAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)c1ccccc1 96026238 OKAWWFSAXRSGIK-CYBMUJFWSA-N 297.354 3.606 0 40 CHAB Nc1cc(Cl)c(NCc2ccco2)c(Cl)c1 96524267 GEWOLVWSTPUJFE-UHFFFAOYSA-N 257.120 3.781 0 40 CHAB Cc1cc(-c2cccc(F)c2)cc(C)c1CC(=O)O 255187769 GROHONHHXJCRFV-UHFFFAOYSA-N 258.292 3.737 0 40 CHAB COc1ccccc1CNc1cnn(C2CCCC2)c1 256052929 PFUJYMMIXZQEQW-UHFFFAOYSA-N 271.364 3.619 0 40 CHAB Cc1cccc(OCc2nnc(S)n2C2CCCC2)c1 11692630 BZACPDWFJCSAPW-UHFFFAOYSA-N 289.404 3.569 0 40 CHAB CCOc1c(Cl)cc(CN[C@@H](C)CC)cc1OC 8326654 IDUXLJPHAHNYIS-JTQLQIEISA-N 271.788 3.635 0 40 CHAB CC1=CCC[C@@H](C)[C@@H]1CNc1ccc2oc(=O)[nH]c2c1 191950990 CARNDBIGMPSEKG-DGCLKSJQSA-N 272.348 3.525 0 40 CHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1ccco1 253473181 SLPXYDYAUGQHIY-MMQHEFTJSA-N 295.338 3.786 0 40 CHAB CC(C)C(=O)c1ccc(OC(F)(F)F)c(F)c1 575242749 GQMMFUIWTPRSLQ-UHFFFAOYSA-N 250.191 3.563 0 40 CHAB O=C(NCc1ccc(-c2ccsc2)o1)[C@@H]1CC=CCC1 575609794 HDNPYJWSYNVLIF-GFCCVEGCSA-N 287.384 3.981 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)CCC2 32666212 VVHSWCZWFLRQBY-UHFFFAOYSA-N 295.426 3.874 0 40 CHAB O=C(CC(c1ccccc1)c1ccccc1)N1CCCC1 279278 OXMXVVYMIMJRHH-UHFFFAOYSA-N 279.383 3.831 0 40 CHAB CC(C)N1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102243268 YDECQLVBUANAPC-UHFFFAOYSA-N 299.399 3.780 0 40 CHAB CCOc1ccccc1C(=O)Nc1ccc(CC)cc1 128800 RLHLYGLRETWJJF-UHFFFAOYSA-N 269.344 3.900 0 40 CHAB CCCC(=O)Nc1nc(-c2ccccc2OC)cs1 11990496 DRZDIEFYTYASBM-UHFFFAOYSA-N 276.361 3.557 0 40 CHAB Fc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1 1273113 HUDPJXCNRBCJQN-UHFFFAOYSA-N 250.276 3.718 0 40 CHAB Cc1ccc(C2=C(c3ccc(C)cc3)CS(=O)(=O)C2)cc1 1764803 CQKZKVIMKAXZDZ-UHFFFAOYSA-N 298.407 3.643 0 40 CHAB CC(C)[C@H](CC(=O)N1CCCCC1)[C@@H]1CCOC(C)(C)C1 489099 DIWJCFXHCCDHOB-CVEARBPZSA-N 295.467 3.866 0 40 CHAB CCN(Cc1ccccc1)C(=O)c1cc2sccc2n1C 4971144 LJIJDAURICTFFY-UHFFFAOYSA-N 298.411 3.902 0 40 CHAB CC(C)N(C(=S)Nc1ccc2conc2c1)C(C)C 6327508 BTDNTGMBKIEFFB-UHFFFAOYSA-N 277.393 3.643 0 40 CHAB Cc1ccc(C)c(C(=O)N2CCc3ccccc3C2)c1 8491602 IPIUUJZKNQGCAP-UHFFFAOYSA-N 265.356 3.502 0 40 CHAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@@H](C)C1CC1 25715696 WGZYEHNAZMBQCT-AWEZNQCLSA-N 296.414 3.651 0 40 CHAB O=C(Nc1ccccc1N1CCCCCC1)c1ccccn1 12528057 NCXYQDUMJJJKHF-UHFFFAOYSA-N 295.386 3.714 0 40 CHAB CC1(C)Cc2cccc(OCc3ccc(C(=O)O)cc3)c2O1 26422348 UACCNTFMAFPBCN-UHFFFAOYSA-N 298.338 3.677 0 40 CHAB Fc1ccc(-c2noc([C@H]3Cc4ccccc4N3)n2)cc1 35660380 KXVAWXNAPOLWGT-CQSZACIVSA-N 281.290 3.585 0 40 CHAB in-vitro CC(=O)c1ccc(OC(=O)Nc2ccccc2)cc1 2008254 UWCOLNSWZMFWOH-UHFFFAOYSA-N 255.273 3.500 0 40 CHAB Cc1nc2ccc(C(=O)N3CCCCCC3)cc2s1 107945495 KLDJJNNILLSJHL-UHFFFAOYSA-N 274.389 3.621 0 40 CHAB Cc1c(C(=O)N(C)[C@@H](C)c2ccncc2)oc2ccccc12 58224040 SRNOYABONGEDDG-ZDUSSCGKSA-N 294.354 3.969 0 40 CHAB CCOP(=O)(Cc1cc(C)oc1C(=O)CC)OCC 2339087 ZOECCIWQVFBDIF-UHFFFAOYSA-N 288.280 3.947 0 40 CHAB CCOC(=O)CCCCC(=O)c1ccccc1Cl 2518030 VNMRMJOJURNKID-UHFFFAOYSA-N 268.740 3.646 0 40 CHAB Cc1cc(C)cc(Oc2cc(-n3nc(C)cc3C)ncn2)c1 8715063 OAYMSKMDSFUULG-UHFFFAOYSA-N 294.358 3.688 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 13298299 CBMYJHIOYJEBSB-BUUWOQABSA-N 292.463 3.751 0 40 CHAB O=c1[nH]c(-c2cccs2)nc2sc3c(c12)CCCC3 9359916 WZYBDMHWVZTVKK-UHFFFAOYSA-N 288.397 3.592 0 40 CHAB C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@]45C[C@@H]4CC[C@]35C)[C@@H]1CCC2=O 118936201 NIDVKCKYZAQGOI-LRIRSYNWSA-N 288.431 3.569 0 40 CHAB Cc1oc2c(c(N=O)c(O)c3ccccc32)c1C(=O)O 4697489 QXZKGRCPCUQDJC-UHFFFAOYSA-N 271.228 3.696 0 40 CHAB COc1cc2cc(C(C)(C)O)oc2c2c1C=COC=C2 14649781 KXZSEWYHQCKWLI-UHFFFAOYSA-N 272.300 3.640 0 40 CHAB biogenic Cc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3)cc2c1 4702654 VAORNMWYMRWFNM-UHFFFAOYSA-N 268.291 3.868 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@]12CC(C)=C(C)CS2 5602964 VWUNEVKWRRCTIP-INIZCTEOSA-N 286.400 3.621 0 40 CHAB C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(F)cc1 7304166 PSUKUVCQVWQHDO-SNVBAGLBSA-N 277.726 3.970 0 40 CHAB Cc1nc(CNC(=O)c2ccc(C(C)(C)C)cc2)cs1 15832148 ICUQJCMDMNGPAE-UHFFFAOYSA-N 288.416 3.679 0 40 CHAB COc1ccccc1CNc1ncnc2cccc(C)c12 80762659 GQVBRHUZQAFIJW-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccccc3)ccc2o1 9377381 JMMQUXGNUAKXSY-LLVKDONJSA-N 295.342 3.575 0 40 CHAB COc1ccc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc1 88218657 UMLKWTWAKZPWHR-VIFPVBQESA-N 297.280 3.677 0 40 CHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCCCC1 408681009 VPKVPOLSOQJMNH-HNNXBMFYSA-N 295.810 3.900 0 40 CHAB Cc1cc(Cl)c2nc(-c3cccc(N)c3)[nH]c2c1 73633932 OHZPYMLHEVJWEC-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB CCCc1nc(CSC(=S)N2CCCC2)cs1 71835608 BZLACNJRAKLGJC-UHFFFAOYSA-N 286.491 3.710 0 40 CHAB Clc1cccc2ncn3nc(-c4ccsc4)nc3c12 61718976 AKEHSPVUSDULSQ-UHFFFAOYSA-N 286.747 3.659 0 40 CHAB Cc1ccc(CN(C)C(=O)Cc2ccc(C)c(C)c2)cc1 216253960 CRHAUZPXJPFVAC-UHFFFAOYSA-N 281.399 3.813 0 40 CHAB Cc1nc(SC2CCCCC2)ccc1C(=O)O 72224873 DAALTGAUBIYEEV-UHFFFAOYSA-N 251.351 3.513 0 40 CHAB C[C@@]12CC[C@@H]3c4ccccc4CC[C@@H]3[C@@H]1CC[C@@H]2O 40720200 MUENRDYXOADTOC-RSJGLCBASA-N 256.389 3.904 0 40 CHAB O=C(O)c1ccc2nc(-c3cccc(F)c3)sc2c1 73740392 FOXDMNRULOUBGN-UHFFFAOYSA-N 273.288 3.801 0 40 CHAB Cc1ccccc1-c1nnc(CN2CCC[C@H]3CCC[C@@H]32)o1 75769252 UPWMSCPALJQHEC-ZBFHGGJFSA-N 297.402 3.810 0 40 CHAB COc1ccc2c(c1)cc(C(=O)Nc1ccccc1F)n2C 49728924 VREIDBHIMOIUGA-UHFFFAOYSA-N 298.317 3.578 0 40 CHAB Cc1ccc(C)c(-c2cn3c(C)c(C(=O)O)sc3n2)c1 40438221 JFCPRIIUUQPGGH-UHFFFAOYSA-N 286.356 3.686 0 40 CHAB C[C@@H]1CCCCN1c1ccc(NC(=O)C(C)(C)C)cc1N 226262815 VZYMGYKGTMWPBQ-GFCCVEGCSA-N 289.423 3.632 0 40 CHAB c1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc1 49168848 MRVXUAMZAXSKSU-HNNXBMFYSA-N 278.355 3.817 0 40 CHAB biogenic,in-vitro CCOc1cc(C)c(NC(=O)c2ccoc2)cc1C 330033008 VNBWZMPZCHNTLW-UHFFFAOYSA-N 259.305 3.547 0 40 CHAB CC(C)c1cccc(C(=O)c2ccccc2C(=O)O)c1 95728278 HDYTVBZYXTZMKY-UHFFFAOYSA-N 268.312 3.739 0 40 CHAB C[C@@H](OC[C@H]1CO1)c1cc(F)c(Cl)cc1Cl 95096318 GMNNPRMAMBLDBQ-RQJHMYQMSA-N 265.111 3.609 0 40 CHAB Cc1nccc([C@H]2CCCCN2Cc2cccs2)n1 257229966 GAECQUOEVIAMTA-OAHLLOKOSA-N 273.405 3.574 0 40 CHAB CC[C@H](C)Nc1nc(N[C@@H](C)CC)nc(N[C@H](C)CC)n1 255189170 OEPDXZREYVLSAP-SDDRHHMPSA-N 294.447 3.503 0 40 CHAB CN(C[C@H]1CC=CCC1)C(=O)c1ccncc1C(F)(F)F 252482543 DIVPFKCJXSYZEU-NSHDSACASA-N 298.308 3.529 0 40 CHAB O=C(c1cccc(OCc2ccccc2)c1)C1CC1 136895052 BBSVTLVUCQRPKU-UHFFFAOYSA-N 252.313 3.858 0 40 CHAB COc1ccc2[nH]c(C3CC3)c(C(C)C)c(=O)c2c1 685938381 KQMCWCZZGYDQBX-UHFFFAOYSA-N 257.333 3.538 0 40 CHAB O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc2c(c1)OCO2 213467 QPTVSGGRHYXBBM-XGICHPGQSA-N 299.713 3.561 0 40 CHAB O=C(O)c1cccc2cc(C(F)(F)F)c(Cl)nc12 16159950 YKEAMFLNCZRIJF-UHFFFAOYSA-N 275.613 3.605 0 40 CHAB Cc1sc2nc(/C=C/c3ccco3)oc(=O)c2c1C 4194437 SFWKQDYWLXPZJR-AATRIKPKSA-N 273.313 3.630 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1 13994479 DHNZHPWSOXIFFQ-HNNXBMFYSA-N 269.344 3.791 0 40 CHAB CC1=NN(c2ccccc2)[C@@H]2c3ccccc3[N+]([O-])=C(C)[C@H]12 162200 BWMMOELXELJKRE-ZWKOTPCHSA-N 291.354 3.856 0 40 CHAB C[C@@H](C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 40442446 SFSCZXRNLPFPTP-RXMQYKEDSA-N 286.171 3.912 0 40 CHAB COc1cccc(CNc2c(C)nn(C(C)C)c2C)c1 37787499 BHXKHQSXZQOICN-UHFFFAOYSA-N 273.380 3.702 0 40 CHAB CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C)cc1 3150801 ZQPSVZBJRWJTOU-UHFFFAOYSA-N 296.370 3.986 0 40 CHAB CCCCNC(=O)n1c(=S)oc2cc(Cl)ccc21 3117732 OSUZUYGCRNCBMG-UHFFFAOYSA-N 284.768 3.975 0 40 CHAB CO[C@H](CNc1nc2ccccc2o1)c1ccc(C)s1 1775970230 INPIBIOELRSVRR-CYBMUJFWSA-N 288.372 3.997 0 40 CHAB CC(=O)Oc1ccc(C(=O)CCC2CCCC2)cc1 575362109 CRURPLYVDGRVAP-UHFFFAOYSA-N 260.333 3.765 0 40 CHAB CCOc1ccccc1-n1c(C)c(C=O)c(CC)c1C 22122230 ZPLCDUOUKODFMY-UHFFFAOYSA-N 271.360 3.868 0 40 CHAB CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 43094 IIBZPBNMVWOFEQ-UHFFFAOYSA-N 282.295 3.564 0 40 CHAB biogenic COc1ccc(C2=CCN(C(=O)C3CCCC3)CC2)cc1 40542372 NWFUFNWAACTVTI-UHFFFAOYSA-N 285.387 3.501 0 40 CHAB CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 325000 HOBWTDDVUCBMFK-KRWDZBQOSA-N 278.355 3.774 0 40 CHAB COC(=O)c1ccc(CN(C)[C@H]2CCCc3ccccc32)o1 32769965 UFQGOXWNUTUXLA-INIZCTEOSA-N 299.370 3.576 0 40 CHAB Cc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 103471 JCOGQGACDSMSOT-UHFFFAOYSA-N 298.367 3.867 0 40 CHAB CCOc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1 422651 VDVBMJDUKJSXMH-UHFFFAOYSA-N 296.326 3.811 0 40 CHAB C[C@@H]1CCc2sc3nc(-c4ccccc4)[nH]c(=O)c3c2C1 1021649 DIBARRHRXMPWSM-SNVBAGLBSA-N 296.395 3.776 0 40 CHAB CC[C@@](O)(c1ccccc1)[C@@H](OC)c1ccccc1 1597679 OOJYEFKCICPSQA-DLBZAZTESA-N 256.345 3.672 0 40 CHAB O=C1CCCC[C@H]1Sc1ncnc2c1oc1ccccc12 544891 DFCPJJXSAMEXJM-CYBMUJFWSA-N 298.367 3.980 0 40 CHAB C[C@H]1CO[C@H](Cn2c3ccccc3c3ccccc32)O1 545850 AFHSKLXOUIJSRM-SJCJKPOMSA-N 267.328 3.556 0 40 CHAB Cc1cccc(N2C(=O)/C(=C/c3ccccc3)N=C2S)c1 103538917 FQYFEKWJSHXUAH-PTNGSMBKSA-N 294.379 3.669 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1occc1C 42007021 GSFBIWZZELKOJK-GFCCVEGCSA-N 275.373 3.799 0 40 CHAB Cc1cc(C)nc(Nc2ccc(C(=O)OCC(C)C)cc2)n1 950320 MUFBJJSPDWEMAY-UHFFFAOYSA-N 299.374 3.650 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(C)c(Br)c2)o1 3141225 XOQMYWUOSHOCQK-UHFFFAOYSA-N 294.148 3.911 0 40 CHAB Cc1cccc(NC(=O)Cc2ccc3ccccc3c2)n1 12523086 JZORXQFKHVYDAV-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)OCc1cccs1 3299223 ICAUQQYJZZYYEG-JTQLQIEISA-N 296.775 3.912 0 40 CHAB Cc1[nH]c2c(C)cc(Cl)cc2c1CCNC(=O)C1CC1 27926817 NWLFMGVTLWIPNU-UHFFFAOYSA-N 290.794 3.507 0 40 CHAB CCCC[C@@H](CC)C(=O)NCc1ccccc1OC 2064681 DGHXBLQDTBOMPC-CYBMUJFWSA-N 263.381 3.528 0 40 CHAB biogenic O=C(Nc1ccc(O)cc1)Nc1ccc2c(c1)CCC2 97164622 PDAMFSBCTASLQZ-UHFFFAOYSA-N 268.316 3.525 0 40 CHAB COc1cc(Cl)c(NC(=O)c2ccsc2)cc1OC 10590623 NGAQFCUKBSAWOX-UHFFFAOYSA-N 297.763 3.671 0 40 CHAB CCc1cccc2sc(NCc3ccncc3)nc12 36657594 YXXWQZWXOVKPKO-UHFFFAOYSA-N 269.373 3.866 0 40 CHAB CC/C=C(\C)C(=O)N(C)Cc1ccc(Cl)s1 46041728 YCBFSJZQULQXSH-WEVVVXLNSA-N 257.786 3.716 0 40 CHAB Cc1ccc(O)c(C(=O)N(C)Cc2cccc(Cl)c2)c1 12811815 ADBQELWMPPRMBS-UHFFFAOYSA-N 289.762 3.626 0 40 CHAB CCCCOC(=O)CSc1nc(C)c(C)n1CCCC 48422125 BKRPWXYHONEWGC-UHFFFAOYSA-N 298.452 3.735 0 40 CHAB Nn1cc(-c2ccccc2)nc1SCc1ccccc1F 4251979 FKBXQCPASOBRAG-UHFFFAOYSA-N 299.374 3.695 0 40 CHAB CCc1ccccc1NC(=S)NCCC(C)C 13821140 UMMBVSGMOAIFRZ-UHFFFAOYSA-N 250.411 3.582 0 40 CHAB O=C(NCCC1=CCCCC1)Nc1ccc2nccnc2c1 4778151 SZRDBGJUNSWUSL-UHFFFAOYSA-N 296.374 3.642 0 40 CHAB CCCCNC1=NN=C(c2ccc(C)c(C)c2)CS1 5978341 RSCOMAGDKYXTQS-UHFFFAOYSA-N 275.421 3.500 0 40 CHAB Cc1ccc(C)c(C(=O)Cn2c(C)nc3ccccc32)c1 7454324 BXXFYSHVRBOEIR-UHFFFAOYSA-N 278.355 3.844 0 40 CHAB CCOc1ccc(NC(=O)c2ccccc2)c2cccnc12 15840722 INTZVPKROJBQQJ-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)c1ccc2ccccc2n1 8035253 QEFLOBYTMQDTJO-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB CCCc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 43209953 YQECFYLXIKCQLN-UHFFFAOYSA-N 282.339 3.795 0 40 CHAB Nc1nc(-c2ccccc2)cc(-c2ccccc2F)n1 62710369 OJDZUAGYKOCGGI-UHFFFAOYSA-N 265.291 3.532 0 40 CHAB CCc1nn(-c2cccc(Cl)c2)c(Cl)c1C=O 36905287 FMAFIMAEYTWYOF-UHFFFAOYSA-N 269.131 3.554 0 40 CHAB Cc1ccc(-c2c[nH]c([C@@H](O)c3ccc(C)cc3)n2)cc1 61904149 BQOMFHJKRHCDCT-KRWDZBQOSA-N 278.355 3.775 0 40 CHAB C[C@@H]1C[C@@H](C)CN(CCCCOc2ccccc2C=O)C1 217796455 CEXLILJLAPBTAC-HZPDHXFCSA-N 289.419 3.636 0 40 CHAB CCc1cc(C)n(Cc2ccccc2Cl)c1C=O 78405180 CBZUHTSQOVDNEY-UHFFFAOYSA-N 261.752 3.873 0 40 CHAB O=C(CC1CCCC1)NCC(c1ccco1)c1ccco1 675007793 PYLZEUHDWWONNO-UHFFFAOYSA-N 287.359 3.701 0 40 CHAB CC[C@H](c1ccccc1)c1nc(-c2ccc(N)cc2)no1 35697009 JLNHGLLJDSGUHN-OAHLLOKOSA-N 279.343 3.861 0 40 CHAB CCN1CCC[C@H]1c1cccnc1OCc1ccccc1 72212071 FIQUTTFKMAYIAA-KRWDZBQOSA-N 282.387 3.817 0 40 CHAB COc1cccc(C(=O)NCc2cccc3ccccc23)c1 222826222 PUXSALGVBVTSJW-UHFFFAOYSA-N 291.350 3.778 0 40 CHAB CC(=O)OCC12C3c4ccccc4[C@@H]1[C@@H]2c1ccccc13 45070673 JHQWQHZFZGIOGP-FXSDRFNOSA-N 276.335 3.576 0 40 CHAB COc1ccccc1Cc1nc2ccc(C)cc2o1 228953552 CESINSKBCCCLIJ-UHFFFAOYSA-N 253.301 3.736 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1C 225269009 WTEQPQQBUAPOJU-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB CCOc1ccc(NC(=O)Cc2ccc(C)cc2C)cc1 223723328 YBCOMDKLUKMFMV-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB COc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1OC 222934316 AZADOCWWTHWEBD-UHFFFAOYSA-N 299.370 3.597 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2cccc(N)c2)o1 226305096 YIPKPEMXLURCPQ-BETUJISGSA-N 298.386 3.932 0 40 CHAB Cc1nc(C(=O)Nc2cccc(-c3csc(C)n3)c2)co1 226096696 WSYVWWPKBRBUJL-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB Cc1cc(C)nc(NC(=S)NC2CCCCCC2)c1 224041346 GQDZTGVXGDOHIO-UHFFFAOYSA-N 277.437 3.708 0 40 CHAB Cc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223147260 QERHBUKERJMEBR-AWEZNQCLSA-N 279.383 3.975 0 40 CHAB CC(C)[C@@H]1CCc2cc(Br)ccc2O1 575422108 FRKXRBNLWQSNTO-NSHDSACASA-N 255.155 3.799 0 40 CHAB CCOC(COc1ccc2ccccc2c1)OCC 1694734 XHXPYFIUFVCIKI-UHFFFAOYSA-N 260.333 3.618 0 40 CHAB CCOc1ccc(CNCc2ccc(F)c(C)c2)cc1 96996345 DCRHPGCGKFDRPF-UHFFFAOYSA-N 273.351 3.823 0 40 CHAB COc1cccc(-c2nc3ccccc3s2)c1OC 1665332 RLFXFUXPVGYCSU-UHFFFAOYSA-N 271.341 3.981 0 40 CHAB OC1(c2cccc(Br)c2)CCC(F)(F)CC1 688586356 OQMFNXFDDZGXOL-UHFFFAOYSA-N 291.135 3.846 0 40 CHAB Cc1ccccc1N/N=C1\C=CC(=O)c2ccccc21 5782819 VMTMPYCDEJNFBZ-KNTRCKAVSA-N 262.312 3.564 0 40 CHAB Fc1cccc(-c2nc3cnccn3c2NC2CCCC2)c1 12113783 FWBAHGHGTWICPQ-UHFFFAOYSA-N 296.349 3.890 0 40 CHAB Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)c1 13939115 VGCLUHRJVITOJK-UHFFFAOYSA-N 297.464 3.797 0 40 CHAB COc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1C 13972001 CWPKLTSYEVFNCC-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB CCc1nnc(-c2ccc(NC(=O)C3CCCCC3)cc2)o1 12443873 JCZRPIDCJFQHII-UHFFFAOYSA-N 299.374 3.818 0 40 CHAB C[C@@H](NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 41610006 MXUDEADPGZWZCH-MRVPVSSYSA-N 274.191 3.953 0 40 CHAB in-vivo CC(C)(C)c1ccc(N2CCC(C(F)(F)F)CC2)nn1 2086856840 RDBPZHBASHDVEC-UHFFFAOYSA-N 287.329 3.553 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1cnc2ccccc2n1 5424732 MJPHPKRCPGVEBI-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB O=C(c1cccs1)N1CCC[C@@H]1c1ccsc1 40107723 DYUOTQUSMYNXJL-LLVKDONJSA-N 263.387 3.787 0 40 CHAB CN(Cc1ncc(-c2ccccc2)o1)c1ccccc1 40161466 WQTPUWJQVHLXSP-UHFFFAOYSA-N 264.328 3.978 0 40 CHAB CC(C)[C@H](C)NCc1cccc(Br)c1 20305329 NCJMGRHWPYUJSJ-JTQLQIEISA-N 256.187 3.583 0 40 CHAB COCc1ccccc1NC(=O)N(C)Cc1ccc(C)cc1 40527934 HVSHAXQIPSNWRW-UHFFFAOYSA-N 298.386 3.805 0 40 CHAB C[C@@H](CN1CCCC1)OC(=O)c1ccc(C(C)(C)C)cc1 210656 AXRAWKAINQRNFO-AWEZNQCLSA-N 289.419 3.625 0 40 CHAB O=C(c1ccccc1)c1cc(F)cc(Br)c1O 52068531 BZNRLNMBKZCMNS-UHFFFAOYSA-N 295.107 3.525 0 40 CHAB Cc1cccn2cc(COc3ccc(Cl)cc3)nc12 276118 GSYCRMCNXWWAFT-UHFFFAOYSA-N 272.735 3.875 0 40 CHAB O=C(CSCc1ccccc1)Nc1ccc(Cl)cn1 2622220 SWAREJSEYHCODV-UHFFFAOYSA-N 292.791 3.607 0 40 CHAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)[nH]1 1355037 FIATYPDFTRVMQG-UHFFFAOYSA-N 286.306 3.663 0 40 CHAB Nc1cc(SCc2ccc(Cl)cc2Cl)ncn1 1675808 IMGZKXLOKPDBDI-UHFFFAOYSA-N 286.187 3.658 0 40 CHAB COc1ccc(C(=O)Sc2nncc3ccccc23)cc1 3203839 JGAANBDSPAYCSQ-UHFFFAOYSA-N 296.351 3.571 0 40 CHAB Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1 4245285 QTFIQKQWACKFHA-UHFFFAOYSA-N 262.231 3.550 0 40 CHAB CC[C@H](C)Nc1nc(-c2ccccn2)nc2ccccc12 533453 UKHAMZBIMNTOHU-LBPRGKRZSA-N 278.359 3.902 0 40 CHAB COc1cccc(NC(=O)N[C@H](C)CCc2ccccc2)c1 8264276 FFRHXNDYSYSZEY-CQSZACIVSA-N 298.386 3.838 0 40 CHAB Cc1noc(C)c1CN1CCC[C@H]1c1cccc(F)c1 52455699 AOMZDZGAYNLUBI-INIZCTEOSA-N 274.339 3.768 0 40 CHAB CC[C@@H](C)[C@@H](C)NCc1ccccc1Br 42419222 WDTWUBOMMXEIHP-GHMZBOCLSA-N 270.214 3.973 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1nc2c(s1)CCCC2 3165245 VLDYHHJOKUIHGC-ZHACJKMWSA-N 284.384 3.674 0 40 CHAB Cc1cccc(CNc2cc(C(N)=O)ccc2Cl)c1C 43304930 ZXENSFQBEPMFRV-UHFFFAOYSA-N 288.778 3.668 0 40 CHAB CCOc1ccccc1CNC(=O)c1ccc(Cl)cc1 20450646 QFRNAYDBWURLPS-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB O=C(OCc1c(F)cccc1Cl)c1ccc(O)cc1 3284181 CKKFTAWIXSATGT-UHFFFAOYSA-N 280.682 3.542 0 40 CHAB Fc1cccc(NCc2nc(-c3ccsc3)no2)c1 58161883 YLCTZLNGRPTVRM-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB Cc1ccc(CCC(=O)NC(C(C)C)C(C)C)cc1 10434359 TTZDNNYYQNFYQL-UHFFFAOYSA-N 261.409 3.724 0 40 CHAB Cc1n[nH]c(C)c1NC(=O)Nc1cccc2ccccc12 36734203 GLZKLWXQAYKAIM-UHFFFAOYSA-N 280.331 3.824 0 40 CHAB O=C(CCCc1nc2ccccc2[nH]1)Nc1ccccc1 29053229 LNSOCQHYXXRWFF-UHFFFAOYSA-N 279.343 3.524 0 40 CHAB Cc1cccc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 45948883 YLPJYTXVQRDULX-HOCLYGCPSA-N 290.407 3.712 0 40 CHAB Cc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)n1 11731201 QPAAIPGREQVYSX-UHFFFAOYSA-N 277.327 3.901 0 40 CHAB C[C@@H](NC(=O)c1ccccc1)c1ccc(OC(F)F)cc1 12876624 QPGZBNIYBYRKNO-LLVKDONJSA-N 291.297 3.779 0 40 CHAB COc1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1 3561530 DCVFRUWXPKFMQT-UHFFFAOYSA-N 291.297 3.545 0 40 CHAB Fc1ccc(-c2csc(NC[C@H]3CCCO3)n2)c(F)c1 9364161 DRSIZHNBMWOHCS-SNVBAGLBSA-N 296.342 3.679 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1ccc(Cl)cn1 4600376 YPIHJUGHBJHIDK-JTQLQIEISA-N 254.761 3.890 0 40 CHAB CCCc1ccc(C(=O)c2ccccc2C(=O)O)cc1 20381122 IOAUOQJJKWICQR-UHFFFAOYSA-N 268.312 3.568 0 40 CHAB COc1ccc([C@H]2NCCc3c2[nH]c2ccc(C)cc32)cc1 19702293 VFUYROFTDOIHPO-GOSISDBHSA-N 292.382 3.720 0 40 CHAB biogenic CCc1cccc(C)c1NCc1ccc(-n2ccnc2)nc1 83827687 GTTDKMHWMUNCKS-UHFFFAOYSA-N 292.386 3.750 0 40 CHAB COc1cccc(-c2csc(NC(=O)CC(C)C)n2)c1 28232508 KCZKZSKMHVNUKV-UHFFFAOYSA-N 290.388 3.803 0 40 CHAB C[C@H](S[C@H](C)Cc1ccc2ccccc2n1)[C@@H](C)O 89904151 MDARMRPECQSWGD-UPJWGTAASA-N 275.417 3.668 0 40 CHAB CCn1nc(C)cc1NC(=O)CCC1CCCCC1 28305688 DTXBARJVZUIIQT-UHFFFAOYSA-N 263.385 3.510 0 40 CHAB CC(=O)N1CCCC[C@@H]1c1ccc(SC(C)C)nc1 72217516 NCJQJJZKUNHJEY-CQSZACIVSA-N 278.421 3.656 0 40 CHAB C=Cc1cnc(N2CCc3ccccc3C2)c(C)c1 72222857 FOPUXQDKGPNOEJ-UHFFFAOYSA-N 250.345 3.596 0 40 CHAB CC[C@H](C(=O)O)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223197711 PRINFNJWELKMDJ-GXTWGEPZSA-N 275.392 3.950 0 40 CHAB O=C(COc1ccc2c(c1)CCCC2)NCC1=CCCCC1 225098491 YVWZKPIJONDYCG-UHFFFAOYSA-N 299.414 3.561 0 40 CHAB CC[C@@H](C)Oc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 225170553 BHVLXDWIQYEEEP-CPUCHLNUSA-N 277.408 3.694 0 40 CHAB CC[C@H](C)Oc1ccccc1[C@@H](C)NC[C@@H]1CCCO1 225162588 AEGZFYICSOOIQG-ZNMIVQPWSA-N 277.408 3.694 0 40 CHAB CCCCNC(=S)Nc1ccc2nc(CC)sc2c1 225205870 CPZDLZFUWMIQKU-UHFFFAOYSA-N 293.461 3.945 0 40 CHAB CC1=C[C@@H](C)[C@H]2CO[C@@H](c3ccc(O)cc3)[C@@H]1[C@H]2C 138977094 UVEZFZYRAYSXIF-XCHLBYOGSA-N 258.361 3.928 0 40 CHAB Cc1cc2nc(-c3ccc(-n4cnnc4)cc3)oc2cc1C 45920435 KKEWQIDOUJPDCU-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB CCCOc1cccc(NC(=O)NCc2cccs2)c1 40104860 YNYMWVMHPITOGF-UHFFFAOYSA-N 290.388 3.859 0 40 CHAB Cc1ccc(C(=O)c2cc(F)c(F)cc2F)c(C)c1 95916816 ZBMBGNMUYYUKIC-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB CNCCC1=C([C@H](C)c2ccccn2)c2ccccc2C1 5141760 DJCOUIHMDYBQRL-CQSZACIVSA-N 278.399 3.805 0 40 CHAB in-vitro Cc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C)cc2)cc1 11801581 ZJCZRXCDKNQLPW-UHFFFAOYSA-N 292.338 3.854 0 40 CHAB O=C(Nc1ncccc1O)Nc1cccc2ccccc12 16544971 LLNHWYJJGPRYCV-UHFFFAOYSA-N 279.299 3.584 0 40 CHAB CN(C)Cc1ccccc1COC(=O)/C=C\c1ccccc1 17004235 ORXYOWNKJSEEPD-SEYXRHQNSA-N 295.382 3.505 0 40 CHAB Nc1ccc(C2(C(=O)Nc3ccccc3Cl)CC2)cc1 158762060 FGAIMDOAHRJUPJ-UHFFFAOYSA-N 286.762 3.593 0 40 CHAB CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 40097429 IDQFNZBFMPVDHR-XHDPSFHLSA-N 274.364 3.589 0 40 CHAB CC[C@@H]1C(=O)O[C@H](c2ccc(Cl)cc2)C(C)(C)C1=O 36841 GKAGFQRGLYYHII-WCQYABFASA-N 280.751 3.559 0 40 CHAB Cc1cccc(O[C@@H](C(=O)O)c2ccccc2)c1C 11802686 NCJUMOCHHRWLKH-OAHLLOKOSA-N 256.301 3.508 0 40 CHAB Cc1ccc(OC2CCN(C(=O)c3ccoc3)CC2)cc1C 46399317 PXYLLZPWABRTRR-UHFFFAOYSA-N 299.370 3.580 0 40 CHAB CCCCn1c([C@H](C)NC(=O)CCC)nc2ccccc21 2601746 PXWYMLXFYNNBIO-ZDUSSCGKSA-N 287.407 3.814 0 40 CHAB CON(Cc1ccc(C)cc1)C(=O)Nc1ccccc1 4290493 VWXRTKFZIHBAOB-UHFFFAOYSA-N 270.332 3.591 0 40 CHAB O=C(Nc1ccccc1)N(C1=NCCC1)c1ccccc1 510177 NMWDLGZDEOKFKD-UHFFFAOYSA-N 279.343 3.917 0 40 CHAB Cc1ccc(CC(=O)Nc2c(C)cccc2C)cc1 578088 LWKIWFHQPWOSMN-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2cccnc2)C2CC2)C1(C)C 53472443 TXYRIVDORJRCGG-SJORKVTESA-N 298.430 3.811 0 40 CHAB COc1cccc2sc(NC(=O)Nc3ccccc3)nc12 33876212 TZMBFKIQBULMCY-UHFFFAOYSA-N 299.355 3.949 0 40 CHAB Cc1ccc(SCCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 1115436 ZUJNREYWFOHQDP-SQWLQELKSA-N 289.444 3.782 0 40 CHAB O=C(O)c1ccccc1Nc1ccc2ccccc2n1 3156600 ALXBXKJAVGIBDQ-UHFFFAOYSA-N 264.284 3.677 0 40 CHAB Cc1ccnc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 12538741 XMELXTYSWVCEHN-UHFFFAOYSA-N 294.276 3.590 0 40 CHAB O=C(Nc1cc(Cl)cc2cccnc12)c1ccoc1 12545689 GYFSFQFASISVJI-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB C[C@H](NC(=O)NC1CCCC1)c1cccc(Cl)c1 26518899 OQQCNLSQCWGGHF-JTQLQIEISA-N 266.772 3.643 0 40 CHAB Fc1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1 35672078 KTLJOUHEJFLBTM-UHFFFAOYSA-N 288.253 3.594 0 40 CHAB COCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 27386351 RLHZHNFJGJBCDC-UHFFFAOYSA-N 298.367 3.548 0 40 CHAB CCOc1ccccc1C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101290880 MQGJHHCSHAIAKK-IXYNUQLISA-N 287.403 3.640 0 40 CHAB CC(C)C[C@@H](NCc1ccc(-c2ccccc2)cc1)C(=O)O 62717972 YNRDCKLNWZWTRY-GOSISDBHSA-N 297.398 3.943 0 40 CHAB Clc1ccc(CN2CCCN(C3CC3)CC2)cc1Cl 58391431 DJBONEAUIFSCEZ-UHFFFAOYSA-N 299.245 3.664 0 40 CHAB Cc1cc(C)c2cc(C(=O)N3CCC[C@H](C)C3)[nH]c2c1C 28267649 OUNDTRDWBYKNQR-NSHDSACASA-N 284.403 3.965 0 40 CHAB Cc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 2427046 UOQRGIGRZUHPQY-UHFFFAOYSA-N 297.383 3.602 0 40 CHAB CC(C)/C(=C\C(=O)O)c1ccc(Br)cc1 11628565 UZODWJREQLGISR-YRNVUSSQSA-N 269.138 3.573 0 40 CHAB CSc1cccc(NC(=O)NCc2cccs2)c1 13737249 LGBIWCQLVQKSRE-UHFFFAOYSA-N 278.402 3.792 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](CC)Oc1cccc(C)c1C 20452575 MCVKXQHZGUQAKK-ZFWWWQNUSA-N 277.408 3.766 0 40 CHAB O=c1[nH]c2ccc(-c3csc(-c4ccsc4)n3)cc2[nH]1 14170173 WNNPOHMOKKSUKE-UHFFFAOYSA-N 299.380 3.708 0 40 CHAB COc1ccc(CCC(=O)Nc2ccc(F)cc2C)cc1 6508139 NDQWQJUALGDPBR-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB Cc1ccc(F)cc1NC(=O)COc1ccc2c(c1)CCC2 5688151 NHUBHEGVNUGKFJ-UHFFFAOYSA-N 299.345 3.640 0 40 CHAB CC(C)(C)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 8209591 WWHSONJUARSPOO-UHFFFAOYSA-N 287.388 3.515 0 40 CHAB CCOc1ccccc1NC(=O)c1ccc(C)c(F)c1 9366663 FQKDVEYGHLLVGK-UHFFFAOYSA-N 273.307 3.785 0 40 CHAB Nc1ccccc1CSc1ccc(C(F)(F)F)cn1 19846315 ATCIZZXPKPDOOY-UHFFFAOYSA-N 284.306 3.975 0 40 CHAB in-vitro CCN(CC(C)(C)O)C(=O)Nc1ccc(C(C)(C)C)cc1 84765654 DGRLFESMSFMYHM-UHFFFAOYSA-N 292.423 3.609 0 40 CHAB O=C(c1ccccc1OC(F)F)C(Cl)(Cl)Cl 309189626 MGQLMLWTAPQGOW-UHFFFAOYSA-N 289.492 3.841 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2)c1C 32753696 VFFGQYSUZXLXGN-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB N=c1c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCCC2 4467000 XUKKFOCDAUQWAR-UHFFFAOYSA-N 296.389 3.522 0 40 CHAB biogenic C[C@H]1c2cccn2CCN1C(=O)C[C@@H](C)c1ccccc1 32753022 WILUHJAHOAKCQN-CABCVRRESA-N 282.387 3.585 0 40 CHAB CCc1nnc2sc(-c3ccc(C(C)C)cc3)nn12 73638560 ZXEMWWFZZFVUNR-UHFFFAOYSA-N 272.377 3.539 0 40 CHAB CCCCN1CCC[C@H]1c1cccnc1N(CC)CC 72212902 ILACHNVAPFDVAQ-INIZCTEOSA-N 275.440 3.865 0 40 CHAB Cc1cc(N)cc(Cl)c1NC(=O)C1CCCCC1 227144906 QLWOSNCLAAZNEG-UHFFFAOYSA-N 266.772 3.749 0 40 CHAB CCc1cc(Br)cc(CC)c1NC(C)=O 226097847 ADUYJFREPYKIJC-UHFFFAOYSA-N 270.170 3.532 0 40 CHAB O=C(C1=CCCC1)N1CCn2cccc2[C@@H]1c1ccccc1 95414609 YGQYBJWRJNXXBM-SFHVURJKSA-N 292.382 3.530 0 40 CHAB O=Cc1ccc(F)cc1COCC1CCCCC1 95738719 ZKMYFKFSMIDTLA-UHFFFAOYSA-N 250.313 3.735 0 40 CHAB Cc1c([C@H](C)NCc2nnc(C3CC3)o2)oc2ccccc12 97374259 TUFKBOGZWLCTCH-NSHDSACASA-N 297.358 3.852 0 40 CHAB Cc1cccc(C)c1CNc1cc(C(N)=O)ccc1Cl 96811024 ONMMAEOZPOOMMW-UHFFFAOYSA-N 288.778 3.668 0 40 CHAB O=C(NCc1cc(-c2ccoc2)cs1)c1ccoc1 1775969681 GFPNBZGRBAYIJB-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB Fc1ccccc1-c1nnc(SCc2ccccn2)o1 5616673 QPYMENLIDUVIFB-UHFFFAOYSA-N 287.319 3.563 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1 13710155 PKOJPRSUIVNTCE-HZPDHXFCSA-N 297.398 3.948 0 40 CHAB CC[C@H](NC(=O)c1cccc(C)c1)c1ccc(OC)cc1 18131767 YKPANWBNSAHHBU-KRWDZBQOSA-N 283.371 3.885 0 40 CHAB C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(C2CCCCCC2)CC1 19790112 XCBFRNWRTZBQAU-FGTMMUONSA-N 288.479 3.539 0 40 CHAB O=C1c2ccccc2C[C@]12O[C@H]2c1ccc(Cl)cc1 163800 UKNPEXALSJHZHE-HOTGVXAUSA-N 270.715 3.589 0 40 CHAB CCc1cc(C(=O)Nc2cccc(Cl)c2Cl)ncn1 1888864057 DHALEGSZZLQGMD-UHFFFAOYSA-N 296.157 3.598 0 40 CHAB C[C@@H](Nc1cccc(C(N)=O)c1)c1ccccc1Cl 20124876 DNQNTXZRSXXULF-SNVBAGLBSA-N 274.751 3.612 0 40 CHAB CCOc1cc2c(cc1OCC)[C@@H]([C@@H](C)CC)NCC2 141637 IOEDBYAFSCGWPC-YVEFUNNKSA-N 277.408 3.717 0 40 CHAB CC1(C)CCC[C@]2(C)[C@H]1CC[C@]1(C)OC(=O)C[C@@H]12 43732282 IMKJGXCIJJXALX-OJDYBEQGSA-N 250.382 3.935 0 40 CHAB Cc1ccnc(NC(=O)c2ccc3c4c(cccc24)CC3)c1 10430701 WCTLPGNOUANMHE-UHFFFAOYSA-N 288.350 3.894 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Nc2cccc(F)c2)o1 40095867 LRJPWNYFTMDGIC-SNVBAGLBSA-N 262.284 3.610 0 40 CHAB CCCCN1C(=O)C2=C(CCCC2)[C@H]1NCc1ccccc1 20123872 AZMSSTLCDUXVEG-SFHVURJKSA-N 298.430 3.615 0 40 CHAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@@H]1c1ccc(F)cc1 102193962 XWPUKPOIAAGVLC-GUDXXQAFSA-N 285.362 3.701 0 40 CHAB Cc1ccsc1CNC(=O)CSc1cccs1 32824758 MZYXTDZPCGCSHX-UHFFFAOYSA-N 283.443 3.527 0 40 CHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccccn1 115369 FXAAEUZVKQCHFC-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB C[C@@H]1CCc2noc(NC(=O)c3ccc(Cl)cc3)c2C1 11914798 KVYHBEHWSQYMMK-SECBINFHSA-N 290.750 3.705 0 40 CHAB COc1ccc2c(c1)[C@@H]1CCCC[C@H]1SCC2=O 1706545 QFMVPESDGFXAFO-SWLSCSKDSA-N 262.374 3.651 0 40 CHAB Fc1ccc(CNc2ncnc3c2[nH]c2ccccc23)cc1 537707 VVLSMWRFDDQQIL-UHFFFAOYSA-N 292.317 3.862 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 103294833 GVIATXQHBRZLRV-AESZEHBQSA-N 271.404 3.858 0 40 CHAB C[C@H](NC(=S)NCCCc1ccccc1)c1ccccc1 8221622 GTYPZCAMQZTTKD-HNNXBMFYSA-N 298.455 3.845 0 40 CHAB CC(=O)Nc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1 23674404 GFRDMCDOLCSEEY-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB CCCn1c(C(=O)O)cc2cc(Br)ccc21 107837168 LMTQDJONMBYKJF-UHFFFAOYSA-N 282.137 3.512 0 40 CHAB Cc1ccc(CC(=O)N2c3ccccc3C[C@H]2C)cc1 59344300 SNCOOPOVOCMDPJ-CQSZACIVSA-N 265.356 3.515 0 40 CHAB O=C(c1cccc(F)c1)N(Cc1cccs1)C1CC1 45257175 ODKWXMTXSNSNDX-UHFFFAOYSA-N 275.348 3.692 0 40 CHAB CCCNCC[C@@H](c1ccco1)c1ccccc1OC 2451165 SNTRWRFPXFTCOV-OAHLLOKOSA-N 273.376 3.810 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1F 13325352 OAVFVIRSMKLNPH-JOYOIKCWSA-N 268.307 3.665 0 40 CHAB Cc1ccccc1S(=O)(=O)Nc1cccc2ccccc12 5214425 HUGCROBEUXXMRL-UHFFFAOYSA-N 297.379 3.949 0 40 CHAB Cc1ccc(COc2c(C)cc(C(=O)O)cc2C)cc1 20424785 YCCLDQLOMGJNQP-UHFFFAOYSA-N 270.328 3.889 0 40 CHAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(F)cc1 4664770 VIVNCHIQZOBZBJ-UHFFFAOYSA-N 271.335 3.877 0 40 CHAB O=C(Nc1ccccc1O)c1ccccc1SC(F)F 28689786 SRGJJDDZLIRVRW-UHFFFAOYSA-N 295.310 3.959 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)C1CCCCC1 8987510 VFSJKWJLCLSXPG-AWEZNQCLSA-N 275.417 3.920 0 40 CHAB Cc1cc(NC2CC(C)(C)NC(C)(C)C2)nc(C(C)C)n1 24754457 CEOYFCGXNURXCZ-UHFFFAOYSA-N 290.455 3.630 0 40 CHAB O=C(O)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 110068108 ZLQKJLTULGHOIF-UHFFFAOYSA-N 295.342 3.616 0 40 CHAB Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 27027226 XWNHTRAOTDHLOM-HNNXBMFYSA-N 294.383 3.602 0 40 CHAB Cc1cc(C(=O)N2CCCC[C@@H]2C)c2ccccc2n1 68970266 DCQFQWDYPQMBDO-ZDUSSCGKSA-N 268.360 3.558 0 40 CHAB CC(C)COCCCNCc1csc(C(C)(C)C)n1 97491780 RPTGEKZKZMURFI-UHFFFAOYSA-N 284.469 3.593 0 40 CHAB Cc1ccc2c(CC(=O)N[C@@H](C)c3ccccn3)coc2c1 9745216 DWNCOZZENKRNDK-ZDUSSCGKSA-N 294.354 3.556 0 40 CHAB Cc1cc(C)nc(N2CCC[C@@H]2/C=C/c2ccccc2)n1 95468384 GXWWWBGSBGPJDV-SXSDINLZSA-N 279.387 3.776 0 40 CHAB Cc1ccn(-c2ccc(NC(=O)c3cc(C)oc3C)cc2)n1 28219803 GRIDRMMAGDKESQ-UHFFFAOYSA-N 295.342 3.643 0 40 CHAB O=C(O)Cc1ccccc1Nc1c(F)cccc1Cl 26395789 XGVIWQRWYMJWCJ-UHFFFAOYSA-N 279.698 3.850 0 40 CHAB Cc1ccc([S@@](=O)c2nccc3ccccc23)cc1 5798894 NOSZQBMCEANHMF-IBGZPJMESA-N 267.353 3.710 0 40 CHAB biogenic COc1cccc(OC)c1[C@@H]1CCCCN1CC(C)C 72221441 WULYAXYJAFCRGZ-AWEZNQCLSA-N 277.408 3.887 0 40 CHAB Cc1cccc(-c2cc(-c3cccs3)nc(N)n2)c1 71978221 GVCGNGSGISCFDT-UHFFFAOYSA-N 267.357 3.763 0 40 CHAB CC(C)Oc1ccccc1C(=O)NCc1ccc(F)cc1 219741659 QNYAWRRGLSYLSR-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB O=C(O)C1(c2ccc(C(F)(F)F)cc2)CCCC1 75932649 ANTNDLKRSFWHEP-UHFFFAOYSA-N 258.239 3.602 0 40 CHAB CCOc1cccc(/C=C/C(=O)O)c1OC1CCCC1 36672442 YSXIQHFXAJEJJY-ZHACJKMWSA-N 276.332 3.505 0 40 CHAB CCN(C(=O)OCC(F)(F)F)c1ccccc1C 32628868 JFGCSJPWLWACOA-UHFFFAOYSA-N 261.243 3.520 0 40 CHAB Fc1cccc(CNC(=S)Nc2c(F)cccc2F)c1 225837021 WDDINHMCMSZNHI-UHFFFAOYSA-N 296.317 3.591 0 40 CHAB COc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1O 226291079 KBWMHCFBJQZUAC-UHFFFAOYSA-N 269.300 3.826 0 40 CHAB CCNC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 49264636 KGKJYCWDCXAKJK-UHFFFAOYSA-N 270.332 3.929 0 40 CHAB Cc1cc(C)cc(O[C@H](Cc2ccc(C)c(C)c2)C(=O)O)c1 225033902 RDSXMYLTEKAHCS-GOSISDBHSA-N 298.382 3.995 0 40 CHAB c1cc(-c2nc3ccccc3s2)cc(-n2cnnc2)c1 40542235 VIUFTOVTHDRATI-UHFFFAOYSA-N 278.340 3.544 0 40 CHAB c1ccc(-c2cc(CNc3nnc(C4CC4)s3)no2)cc1 195575189 ZDMKAUNZCPGFMV-UHFFFAOYSA-N 298.371 3.683 0 40 CHAB CCCOc1ccc(C(=O)c2ccc(Cl)nc2)cc1 45038797 DSOVWFCLGQPSMP-UHFFFAOYSA-N 275.735 3.755 0 40 CHAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C(F)(F)F)cc1C 225588833 SQUBTWIVWNPEQB-SNVBAGLBSA-N 289.297 3.982 0 40 CHAB FC(F)(F)COc1ccc(S)c(Br)c1 85395014 BJGUBABLIBPAJS-UHFFFAOYSA-N 287.100 3.679 0 40 CHAB C[C@@H](Cc1ccoc1)NC(=O)Nc1cccc(Cl)c1 84855214 IYONAQJKPLWGEF-JTQLQIEISA-N 278.739 3.686 0 40 CHAB Cc1nc(CN[C@@H]2CC(C)(C)CCc3ccccc32)no1 252506998 WEXSXJPTWCWEGF-OAHLLOKOSA-N 285.391 3.571 0 40 CHAB CC1(C)CC[C@H](NC(=O)C2CCC2)c2ccccc21 49479816 YFHFNOGQAXOIJO-HNNXBMFYSA-N 257.377 3.715 0 40 CHAB Fc1c(Br)cccc1SC(F)F 604221845 JUKKPUGRLHUQJH-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB Cc1cccc(CNC(=O)[C@H](C)Sc2ccccc2)c1 13676618 QACRRSPNUCQMJO-AWEZNQCLSA-N 285.412 3.792 0 40 CHAB CC(C)CCNC(=S)Nc1ccc(F)c(Cl)c1 13821152 FLIUIBWMLPYYCG-UHFFFAOYSA-N 274.792 3.812 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2ccc(C(F)(F)F)cc2N)C1 15417904 XJUHKVNHANVGGQ-AOOOYVTPSA-N 272.314 3.770 0 40 CHAB Cc1noc(C)c1C(=O)NC1(c2cccs2)CCCC1 390828812 UMXIQHDGCRVXAB-UHFFFAOYSA-N 290.388 3.552 0 40 CHAB O=C(Cc1ccc(Cl)cc1)NCc1ccccc1Cl 3562330 NALVEGBYEYXARI-UHFFFAOYSA-N 294.181 3.852 0 40 CHAB COc1ccc(NC(=O)Cc2ccc(SC)cc2)cc1 10252351 GRYNFYWUCKROLU-UHFFFAOYSA-N 287.384 3.598 0 40 CHAB O=C(NCc1cc(-c2ccco2)cs1)c1ccsc1 1775968429 NNRBANBNRLCOBH-UHFFFAOYSA-N 289.381 4.000 0 40 CHAB c1cc(CNCc2cccc3[nH]ccc23)c2cc[nH]c2c1 30825564 ICVOGWNZGCCJNK-UHFFFAOYSA-N 275.355 3.939 0 40 CHAB COc1cccc(C(=O)Nc2cccc(Cl)c2)c1OC 383695 WRZRIJXFVLZPCD-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCCCC1 1665776 ZGYPFPPCAPRYKE-RBUKOAKNSA-N 281.399 3.947 0 40 CHAB O=C1CSC(=O)N1C1c2ccccc2Oc2ccccc21 1865459 CSNKEKPBTQNYRH-UHFFFAOYSA-N 297.335 3.577 0 40 CHAB CCCN1CCc2c([nH]c3cc(OC)ccc23)[C@H]1C 4934183 NNGYOENNZYANFQ-LLVKDONJSA-N 258.365 3.506 0 40 CHAB Cc1ccc(CNC(=O)c2cccc(C)c2C)cc1 6218547 JORMFJXMGCZZTF-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB CO[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@@H]1C 103204053 QMTKQILBJORGOU-ZILJWTLNSA-N 273.376 3.612 0 40 CHAB CN(C)CC(C)(C)CNCc1cccc2ccccc12 19905666 IKUDXOQFNGDQJT-UHFFFAOYSA-N 270.420 3.517 0 40 CHAB CC(=O)c1cccc(-c2cccc(-c3cc[nH]n3)c2)c1 23544161 GGHDDEZGPGRJBT-UHFFFAOYSA-N 262.312 3.946 0 40 CHAB COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC 1386818 DFWBDVRBHHFDNZ-UHFFFAOYSA-N 299.305 3.530 0 40 CHAB Cc1cc(=O)oc2c3c(ccc12)OCN(C1CCCCC1)C3 57142969 NXSRYMMMBXXUKS-UHFFFAOYSA-N 299.370 3.586 0 40 CHAB CCC(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1 36639172 BADPRLFWOMLGHI-UHFFFAOYSA-N 278.352 3.530 0 40 CHAB O=C(NCC1(c2ccccc2)CC1)c1ccc(Cl)cc1 11749931 TWQOVURQPGVPCB-UHFFFAOYSA-N 285.774 3.802 0 40 CHAB Cc1cc(=O)n2c3ccccc3nc2n1C1CCCCCC1 20674423 AMBRKZFDAIMEEC-UHFFFAOYSA-N 295.386 3.853 0 40 CHAB CCOc1ccc2ccccc2c1C(=O)NCC(C)C 8723301 FPPHTHKCSUWPLC-UHFFFAOYSA-N 271.360 3.624 0 40 CHAB CC(C)(C)c1ccc2cc(C(=O)N3CCCC3)[nH]c2c1 29751649 ZBUGNDQWVJIQSG-UHFFFAOYSA-N 270.376 3.701 0 40 CHAB CC(C)(C)C1=N/C(=C\c2ccccc2Cl)C(=O)O1 14177338 LZQFXFNHCZCSEE-FLIBITNWSA-N 263.724 3.682 0 40 CHAB COc1ccccc1CC(=O)Nc1ccc(C)cc1Cl 5637095 QKIMSJSZAICENF-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB Cc1cnc(NC(=O)c2ccc(C(C)C)cc2)s1 6969086 FEDJHPYOCDLWCA-UHFFFAOYSA-N 260.362 3.827 0 40 CHAB Clc1ccc(Cn2cc(NCc3cccnc3)cn2)cc1 90200285 SGKLCPSSVYZEHJ-UHFFFAOYSA-N 298.777 3.592 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1nc2cc(C(C)(C)C)ccc2o1 72311647 NAWDUQHIPUANJR-KOLCDFICSA-N 272.348 3.720 0 40 CHAB C[C@H](NC(=O)[C@@H](C)n1cccc1)c1ccc2c(c1)CCCC2 84651745 HXJOEFGEJXEJBG-LSDHHAIUSA-N 296.414 3.805 0 40 CHAB COc1ccc(CCCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 75284434 IXYZJCUDPAWHPW-WMLDXEAASA-N 289.419 3.713 0 40 CHAB O=C(O)CC[C@@H]1CCCCN1C(=O)C1CCCCCCC1 86578065 FIFMPXJGDSDJNK-HNNXBMFYSA-N 295.423 3.593 0 40 CHAB O=C(O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 33507833 GBFOFKLNZUYKJG-UHFFFAOYSA-N 288.250 3.604 0 40 CHAB CC(C)CCC(=O)N1CCc2sccc2[C@H]1C 32781424 TXFVMTJGKIHSMW-LLVKDONJSA-N 251.395 3.630 0 40 CHAB COC(=O)C(C)(C)[C@H](c1ccccc1)[C@H]1CCCCC1=O 3850136 ITXQPFPWSIBFQG-GOEBONIOSA-N 288.387 3.729 0 40 CHAB biogenic CCCN1CCCC[C@H]1c1ccc(N(CC)CC)nc1 72212855 AWYCWRQBRWEDHG-INIZCTEOSA-N 275.440 3.865 0 40 CHAB CC[C@H](C)Nc1ncccc1[C@H]1CCCN1C(C)C 72213394 KLGIBIMDMHAGNL-DZGCQCFKSA-N 261.413 3.837 0 40 CHAB COc1cccc(-c2cc(Cl)nc(-c3cccnc3)n2)c1 78401321 AYYLRNDZBMXWRG-UHFFFAOYSA-N 297.745 3.868 0 40 CHAB Clc1ccc(NCc2nc(-c3ccco3)no2)cc1 44070358 DCCDSGMYCFTTSQ-UHFFFAOYSA-N 275.695 3.595 0 40 CHAB CC1CCN(Cc2nc3ccccc3n2C(C)C)CC1 82086986 IBQNMRFBCGQZNQ-UHFFFAOYSA-N 271.408 3.849 0 40 CHAB CC(C)(C)OC(=O)N1CCC(CC(F)(F)F)CC1 226078223 SXYBTUWJZWIWIV-UHFFFAOYSA-N 267.291 3.586 0 40 CHAB CCCCCOC(=O)c1snnc1-c1ccccc1 223831568 GUPZEIBPCWJKAH-UHFFFAOYSA-N 276.361 3.552 0 40 CHAB O=C(c1cccc(F)c1)N1CCC(c2ccc(O)cc2)CC1 40487764 ZOVMCJKJOIMMMP-UHFFFAOYSA-N 299.345 3.551 0 40 CHAB Cc1cccc(Cl)c1NC(=O)N(C)Cc1ccncc1 97095185 SVMALDKEYKOKKG-UHFFFAOYSA-N 289.766 3.707 0 40 CHAB O=C1CCN(c2ccccc2)[C@@H](c2ccccc2)C1 95887515 PZVNDGYYRBJJJB-QGZVFWFLSA-N 251.329 3.597 0 40 CHAB FC(F)(F)[C@@H]1CCC[C@H](N[C@@H]2CCO[C@@H](C3CC3)C2)C1 249084054 BAVMIBQEBOCUHJ-XJFOESAGSA-N 291.357 3.655 0 40 CHAB CCN(CC)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14396231 PYHNFADQTXSFSA-CYBMUJFWSA-N 277.408 3.620 0 40 CHAB CC[C@H](C(=O)O)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260624898 WGWYALTUJZERBD-BXUZGUMPSA-N 291.391 3.651 0 40 CHAB Cc1ccc(Cl)cc1C(=O)CC(C)(C)CC(=O)O 95634145 XRGMWYOOYLGICF-UHFFFAOYSA-N 268.740 3.722 0 40 CHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccccc1 15199011 KHFJOQRDIWQSBQ-AWEZNQCLSA-N 287.359 3.793 0 40 CHAB Cc1c(C2CC2)[nH]c2ccc(C(F)(F)F)cc2c1=O 685938809 ZCSSUFQZMAWQNI-UHFFFAOYSA-N 267.250 3.733 0 40 CHAB Cc1c(O)cccc1C(=O)Nc1nc2ccccc2s1 95977955 ARGHFBFPTQDXHE-UHFFFAOYSA-N 284.340 3.563 0 40 CHAB O=C(O)/C=C/c1cccc(OCc2ccccc2F)c1 11823961 ROBLPJIMWMSEGH-CMDGGOBGSA-N 272.275 3.503 0 40 CHAB O=C(Nc1ccc2nsnc2c1)c1cccc(Cl)c1 12340844 XGQYNEVUHQHIFB-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB O=C(O)CCc1c[nH]c2cccc(OCc3ccccc3)c12 107852713 LHDZJNIKEZZTAI-UHFFFAOYSA-N 295.338 3.764 0 40 CHAB O=C(Nc1cccc(Cl)c1F)c1cccs1 9336310 UFDCSESKFYIFQH-UHFFFAOYSA-N 255.701 3.793 0 40 CHAB O=C(CNc1ccc(Cl)cc1F)NC1CCCCCC1 21887348 FCAIJYIUTQLJGU-UHFFFAOYSA-N 298.789 3.730 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1ccc(F)c(F)c1 37357760 FAWKMECWKARNGS-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB CCC(=O)Nc1ccc([C@@H](C)NCc2ccsc2)cc1 30641035 WZIGLMVFPDPIPH-GFCCVEGCSA-N 288.416 3.947 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 31245420 REDQWFANSZHEKR-IAQYHMDHSA-N 259.349 3.603 0 40 CHAB CN(C)C(=O)Oc1c(Cl)cc(Cl)c2cccnc12 106776 RVINDLLVADAUFN-UHFFFAOYSA-N 285.130 3.602 0 40 CHAB O=C(c1cc(C2CC2)on1)N1CCC(c2ccccc2)CC1 32367298 JAQRPRZGWNOHBL-UHFFFAOYSA-N 296.370 3.572 0 40 CHAB O=C(/C=C/c1cnc2ccccc2n1)OCC1CCCCC1 21366419 VHQBMIVERKMHOA-ZHACJKMWSA-N 296.370 3.767 0 40 CHAB O=c1c(-c2nc3ccccc3[nH]2)coc2ccc(Cl)cc12 113112 RGRGDHLODJPCDR-UHFFFAOYSA-N 296.713 3.990 0 40 CHAB Cc1cc(C)cc(N[C@@H](C(=O)O)c2ccccc2)c1 4244772 DOTIJSVXXUBRGQ-OAHLLOKOSA-N 255.317 3.541 0 40 CHAB Cc1ccc(-n2ncc(-c3cccc(C)c3)c2N)cc1 4290739 JBNLTYORPDSURA-UHFFFAOYSA-N 263.344 3.738 0 40 CHAB Cc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1C 546946 COZDBKQZJHSGBK-UHFFFAOYSA-N 290.392 3.922 0 40 CHAB CCN(C(=O)Cn1ccc2ccccc21)c1ccccc1 6630125 FNOOILNZTGKWLF-UHFFFAOYSA-N 278.355 3.694 0 40 CHAB CCCN1C(=O)S/C(=C/c2ccc(CC)cc2)C1=O 6657124 DSSOCQJKKCCDKC-JLHYYAGUSA-N 275.373 3.695 0 40 CHAB CCCCCCNC(=O)c1ccc(Br)cc1 3194756 BKBBSLDEYBNFSA-UHFFFAOYSA-N 284.197 3.759 0 40 CHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCCCCC1 54584202 SAHUEWPZWZQXAF-UHFFFAOYSA-N 298.386 3.677 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1cc(F)c(F)c(F)c1 43210254 PNMVAWNTONFOJM-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB NC[C@@H](c1ccccc1)c1c[nH]c2cc(Cl)ccc12 26512793 SGEWZYJNWUEWFE-AWEZNQCLSA-N 270.763 3.912 0 40 CHAB Cc1ccc(Sc2ncccc2C(=O)N(C)C)cc1C 57547491 RKDILPDJVPMESW-UHFFFAOYSA-N 286.400 3.551 0 40 CHAB CCCOC(=O)NC(c1ccccc1)c1ccccc1 1800711 XVRVWQKYLCFWFO-UHFFFAOYSA-N 269.344 3.912 0 40 CHAB Cc1ccc(NC(=O)Nc2ccccc2CN(C)C)cc1 58082781 RWZYDPUHHMBCOW-UHFFFAOYSA-N 283.375 3.701 0 40 CHAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccccc2)cc1 2069679 WPOOINGCFSKCRP-UHFFFAOYSA-N 290.384 3.752 0 40 CHAB CC(=O)Nc1nc2ccc(SC(F)F)cc2s1 12763884 ZHNYBVIRNKYIPO-UHFFFAOYSA-N 274.317 3.569 0 40 CHAB CCNCC[C@@H](CCC(C)C)c1ccc2c(c1)OCO2 2327274 FZIPBALKOKMKJE-CQSZACIVSA-N 277.408 3.935 0 40 CHAB Cc1cc(Br)cc(C)c1NC(=O)NC(C)C 48464099 IVBGENNRATWISG-UHFFFAOYSA-N 285.185 3.596 0 40 CHAB O=C1C[C@H]2Sc3ccccc3N=C2N1Cc1ccccc1 6223082 YZJDMRZSXJCONN-OAHLLOKOSA-N 294.379 3.623 0 40 CHAB C[C@H](NC(=O)Cc1cccs1)c1cccc(Cl)c1 16018181 ZFZYRLNFVCZENQ-JTQLQIEISA-N 279.792 3.821 0 40 CHAB COc1ccccc1CNCc1ccc([C@H]2C[C@@H]2C)o1 19903146 OCXJFPCMNYLICT-WFASDCNBSA-N 271.360 3.701 0 40 CHAB c1ccc(N2CCC(NCC3CCCCCC3)CC2)nc1 72298295 QWESHYHMSIMVKK-UHFFFAOYSA-N 287.451 3.610 0 40 CHAB CC[C@@H](C)n1nccc1NC(=O)c1ccc(Cl)cc1 21785353 JDJMEZFUVXAPQF-SNVBAGLBSA-N 277.755 3.760 0 40 CHAB CN(CCn1cc(-c2ccccc2)cn1)Cc1ccccc1 75105647 SBLXZHRZXBRVLI-UHFFFAOYSA-N 291.398 3.682 0 40 CHAB O=C1c2ccc(Cl)cc2CCc2c(Cl)ccnc21 22057006 FCKZNHVKGINCEC-UHFFFAOYSA-N 278.138 3.718 0 40 CHAB in-vitro Cc1cccc(N2N=C(C(=O)O)C[C@@H]2c2ccccc2)c1C 71978984 WQEGTGSULWSLGZ-QGZVFWFLSA-N 294.354 3.695 0 40 CHAB COc1cccc(Cc2csc(Nc3ccccn3)n2)c1 211138685 CUIXYEWOLVNHBF-UHFFFAOYSA-N 297.383 3.881 0 40 CHAB CCc1nc(C[S@](=O)CC2CCCCC2)cs1 77478325 AWQAFYIXHNUYRU-KRWDZBQOSA-N 271.451 3.535 0 40 CHAB O=C(O)c1csc(Nc2cc(Cl)cc(Cl)c2)n1 33507830 LOBXYNGAAGBPDF-UHFFFAOYSA-N 289.143 3.892 0 40 CHAB Clc1cc(Cl)cc(-c2nnc3ccc(Cl)nn23)c1 37325107 ITBNZOJFBLQEQK-UHFFFAOYSA-N 299.548 3.752 0 40 CHAB in-vitro Cc1ccc(C(=O)Nc2ccc3sncc3c2)cc1 188239830 AYSWFPYDGPKKRE-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB Cc1nc(NC(C)(C)C)ccc1CNC(=O)OC(C)(C)C 72225009 BMXMRNTXCRYUNR-UHFFFAOYSA-N 293.411 3.625 0 40 CHAB Cc1cc(N)cc(C)c1NC(=O)c1cccc(OC(C)C)c1 45889283 NMMIKPMCFLGNNK-UHFFFAOYSA-N 298.386 3.925 0 40 CHAB CC[C@H](C)c1ccc(OC[C@H]2CCNC2)c(Cl)c1 42770846 NVBHDMFJYNJPOP-RYUDHWBXSA-N 267.800 3.842 0 40 CHAB CC[C@@H](C)Oc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 225167874 JLUASHWRFHLWRX-KEYYUXOJSA-N 277.408 3.694 0 40 CHAB Cc1cc(C)c(C(=O)NCCCOC2CCCC2)cc1C 225649693 FGEGXICXTXUSKB-UHFFFAOYSA-N 289.419 3.691 0 40 CHAB CC(C)n1ccc2c(NC(=O)c3cccnc3)cccc21 85879886 LBCCBMFNUPFPTM-UHFFFAOYSA-N 279.343 3.870 0 40 CHAB biogenic c1ccc(-c2nnc(CC3CCCCC3)s2)nc1 199409355 YUFUVCGUCLLKSI-UHFFFAOYSA-N 259.378 3.723 0 40 CHAB CO[C@@H](C)c1nc(C)c(C(=O)N2CCCCCCC2)s1 98018600 SYLJCKFFGOLOMX-LBPRGKRZSA-N 296.436 3.565 0 40 CHAB CSc1cc(Br)ccc1OC1CC1 95732783 MFMKMQJTWMGKIO-UHFFFAOYSA-N 259.168 3.712 0 40 CHAB Cc1ccc(OCc2nc(-c3ccco3)oc2C)nc1 77240427 XUDCWCZFPCODJK-UHFFFAOYSA-N 270.288 3.525 0 40 CHAB COc1ccc(Cl)cc1[C@H](C)Nc1cnn(C)c1C 95991767 WCAICUVATDKBTI-VIFPVBQESA-N 279.771 3.564 0 40 CHAB COc1ccc(NCc2cc(Cl)ccc2OC)cc1 479323 GVBHTOGOMCXLJN-UHFFFAOYSA-N 277.751 3.969 0 40 CHAB O=C(/C=C/c1ccco1)Nc1cccc(Br)c1 574536 MDPNIXLTWUXZTD-VOTSOKGWSA-N 292.132 3.694 0 40 CHAB Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 58621 REPVPOIVNAMWIB-XNTDXEJSSA-N 297.741 3.993 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)Oc1ccccc1 5440144 XNROEYNWZCYFIE-UHFFFAOYSA-N 271.360 3.744 0 40 CHAB CCCNCc1ccccc1OCc1ccccc1F 7262416 XSKKFIVGPJGFJB-UHFFFAOYSA-N 273.351 3.904 0 40 CHAB CCCCC[C@@H](C(=O)OCC)P(=O)(OCC)OCC 5550795 BDMIAKWZBUATCI-LBPRGKRZSA-N 294.328 3.765 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccc(C)c3ncccc23)s1 19134731 QFXSWIKUBNABJA-UHFFFAOYSA-N 297.383 3.869 0 40 CHAB CCc1ccc(CN(C)C(=O)N[C@H](C)c2ccccn2)cc1 26186436 FGIKPGNGYAPPOS-CQSZACIVSA-N 297.402 3.547 0 40 CHAB O=C(c1ccco1)N(Cc1ccsc1)Cc1ccccn1 44445925 BZMCTHWDDJAEBG-UHFFFAOYSA-N 298.367 3.579 0 40 CHAB CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 40095546 YNXANXKHXLGXCT-LBPRGKRZSA-N 288.347 3.869 0 40 CHAB CCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C 40023820 MFGCQJWNEXKTSU-OCCSQVGLSA-N 260.381 3.949 0 40 CHAB O=C(Nc1cccc(NCc2cccs2)c1)C1CC1 20093465 LNKFXPRMOIXMBC-UHFFFAOYSA-N 272.373 3.709 0 40 CHAB Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C(C)(C)C)[nH]n2)cc1 30421804 JAHSPTONVBXQMS-CYBMUJFWSA-N 299.418 3.892 0 40 CHAB CCOc1ccc(CNCc2cccc(C)c2)cc1 20133862 GXIKMDDFXUNRNQ-UHFFFAOYSA-N 255.361 3.684 0 40 CHAB C[C@@H](N[C@H]1CCCc2ccccc21)c1ccccn1 20123786 HZMWQSQIQIEMSN-DYVFJYSZSA-N 252.361 3.810 0 40 CHAB CSc1ccc([C@@H]2CC(O)=Nc3nc(N)sc32)cc1 32089085 XNONBGZWZZCNJU-VIFPVBQESA-N 291.401 3.571 0 40 CHAB C[C@@H](NC(=S)Nc1ccc(Cl)cn1)c1ccccc1 26126 LLSDBNJTMJQXIR-SNVBAGLBSA-N 291.807 3.783 0 40 CHAB CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 413743 HIWZRSBCMYNAJS-UHFFFAOYSA-N 292.433 3.801 0 40 CHAB COc1ccc(NC(=S)Nc2cc(F)ccc2C)cc1 2649585 PVZQIINJYJKLRU-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB C/C(=C\c1ccccc1)CN(C)Cc1cc(C)on1 92254434 MLIVQWQCNSBYNT-UKTHLTGXSA-N 256.349 3.518 0 40 CHAB CCN(CC)CCOC(=O)C1(CC(C)C)CCCCC1 1719279 KWZXRLYIJVZVLX-UHFFFAOYSA-N 283.456 3.868 0 40 CHAB CCCCCC[C@@H](C)NC[C@@H](O)COc1cccc(C)c1 1731829 VEOSVJOBGXMFHF-IAGOWNOFSA-N 293.451 3.683 0 40 CHAB Cc1ccc2c(CC(=O)NCCc3cccs3)coc2c1 32988778 OTSOLFBMTKLGMK-UHFFFAOYSA-N 299.395 3.704 0 40 CHAB Cc1ccc([C@@H](Nc2ccc(C)c(C)c2)C(=O)O)cc1 4244782 BFZVFNTZICXKTP-MRXNPFEDSA-N 269.344 3.850 0 40 CHAB CC(=O)SC[C@H](C)[C@H]1CC[C@H](C)[C@@H](SC(C)=O)C1 4706043 HGDCJIHXSWQFGW-NUZBWSBOSA-N 288.478 3.987 0 40 CHAB O=C(CCc1ccccc1)Oc1cccc2cccnc12 553301 YCAGPCSCEPUAMP-UHFFFAOYSA-N 277.323 3.773 0 40 CHAB Cc1ccc(NC(=S)NCCc2ccccc2)cc1C 6627643 YIYRFFFDLMOWKI-UHFFFAOYSA-N 284.428 3.833 0 40 CHAB Cc1ccc(NC(=O)CNc2ccc(F)cc2)cc1Cl 7971632 KAUMVCRWDHDZEY-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB Oc1ccc2c(c1)[C@@H]1CCCC[C@@]1(N1CCCCC1)O2 22242124 KXGAXCOBOFZDMX-DOTOQJQBSA-N 273.376 3.624 0 40 CHAB CC(C)(C)c1cn2c(n1)[C@@H](CNC1CCCC1)CCC2 84284623 OBDVTDDOBQLJTF-CYBMUJFWSA-N 275.440 3.590 0 40 CHAB CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1 12358622 CEQFOVLGLXCDCX-UHFFFAOYSA-N 269.304 3.866 0 40 CHAB COc1ccccc1C(=O)c1cccc(C(F)(F)F)c1 37531876 JTLDNWHNOXXPKB-UHFFFAOYSA-N 280.245 3.945 0 40 CHAB CCOc1ccccc1C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101290866 MQGJHHCSHAIAKK-NHIYQJMISA-N 287.403 3.640 0 40 CHAB COCc1cccc(NC(=O)c2cc3ccccc3[nH]2)c1 25823060 YEEWYRAXECKFKL-UHFFFAOYSA-N 280.327 3.567 0 40 CHAB O=Cc1sc(N2CCCCC2)nc1-c1ccccc1 3203150 AGXZYPHYYFRZCU-UHFFFAOYSA-N 272.373 3.613 0 40 CHAB Cc1sc2ccccc2[n+]1CCCCC[n+]1ccccc1 1766188 MZHSTXLLSRZWOK-UHFFFAOYSA-N 298.455 3.655 0 40 CHAB CN(CCc1ccccc1)Cc1cnn(-c2ccccc2)c1 57626073 TZFISPFUNFBBMP-UHFFFAOYSA-N 291.398 3.547 0 40 CHAB CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccc(F)cc1 12786735 QCQICUFAGRWWSE-UHFFFAOYSA-N 293.729 3.538 0 40 CHAB CCCNc1cc(C)nc2c(-c3ccc(C)cc3)cnn12 10383637 IHXSQLWAWSUXFQ-UHFFFAOYSA-N 280.375 3.835 0 40 CHAB Cc1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1 10895953 DQZDWMXTXIFGKV-UHFFFAOYSA-N 285.734 3.777 0 40 CHAB Cc1cccc(C)c1NC(=O)[C@@]1(C)CC1(Cl)Cl 12818072 VWBLAOCMEHPHEU-GFCCVEGCSA-N 272.175 3.826 0 40 CHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccccc1F 11202416 UTNKMZGNGCBXRG-INIZCTEOSA-N 269.319 3.707 0 40 CHAB COc1cc(C(=O)N[C@H](C)c2ccccc2)cc(OC)c1C 3437601 OFGIBAUUDZJZOP-CYBMUJFWSA-N 299.370 3.503 0 40 CHAB Cc1ccc(C(=O)c2ccc(CN3CCC3)cc2)cc1C 2514624 UIUKFSBAKYEOEZ-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB c1ccc([C@H]2CN(c3nc4ccccc4s3)CCO2)cc1 29588139 WPVLQEKJRXNVST-OAHLLOKOSA-N 296.395 3.874 0 40 CHAB Cc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1 8869595 BLJBSUSHQWUBPC-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB NC[C@@H](c1ccccc1)C1CCN(Cc2ccccc2)CC1 82729054 BKRLEZAXSDQFGO-FQEVSTJZSA-N 294.442 3.641 0 40 CHAB O=C(CSC1=NCCS1)C12CC3CC(CC(C3)C1)C2 5504990 LGVKYESLRJGDCW-UHFFFAOYSA-N 295.473 3.608 0 40 CHAB Cc1cc(OC2CCNCC2)c(Cl)c(C)c1Cl 14631976 DPFUGGCHJFUSMA-UHFFFAOYSA-N 274.191 3.741 0 40 CHAB in-vitro COc1cccc(C(=O)Nc2ccc(F)cc2Cl)c1 5679624 ISJILDDRINWALT-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)on1 6789329 VDCOZVAYTDUGBK-UHFFFAOYSA-N 292.338 3.502 0 40 CHAB Cc1csc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)n1 6999772 FSMYZBREXWGYGK-QMMMGPOBSA-N 292.429 3.890 0 40 CHAB Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccccc1F 8163171 IOLKYOORMAFTGB-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CCc1nc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)no1 69620470 PWKKHWRZTIRBIV-OAHLLOKOSA-N 291.370 3.648 0 40 CHAB CCc1nccn1Cc1csc(-c2ccc(F)cc2)n1 95441074 FAZIIOOJWQPNNC-UHFFFAOYSA-N 287.363 3.756 0 40 CHAB CCC(=O)c1ccc(O[C@H](C)c2nc(C(C)C)no2)cc1 72296229 LHUOIOAXSQGKDU-LLVKDONJSA-N 288.347 3.926 0 40 CHAB CCCN(CCC)C(=O)c1ccc(N(CC)CC)cc1 98067303 DOXWJPZGLJDRCE-UHFFFAOYSA-N 276.424 3.795 0 40 CHAB CCCN1[C@H]2CC[C@H]1[C@@]1(CCN(CCc3ccccc3)C1)C2 306142021 WNASHYLFUARRIX-UFYCRDLUSA-N 298.474 3.568 0 40 CHAB CCCCNC(=O)N(C)Cc1csc2ccccc12 42879287 REXNPDFWLQXZFE-UHFFFAOYSA-N 276.405 3.843 0 40 CHAB CC(C)(C)OC(=O)Nc1cc(Br)ccc1O 66325849 VHYZXADBMOZCLV-UHFFFAOYSA-N 288.141 3.502 0 40 CHAB COC(=O)c1cc(Cl)ccc1OCc1ccccc1 34129330 VCYSEZSMLHEENQ-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB O=C(Nc1ccccc1F)c1snnc1-c1ccccc1 36353079 BBVJHQITKCBGCR-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(CC)CC 216171626 VQBHCBKGUCIDCL-KRWDZBQOSA-N 285.387 3.866 0 40 CHAB COc1ccc2ccccc2c1[C@H](CN)N1CCC[C@@H](C)C1 32073455 IYHLFVKGPZPWHN-PBHICJAKSA-N 298.430 3.580 0 40 CHAB Cc1cccc2nc(-c3cncc(Br)c3)oc12 73638618 TVWOHEDBFHHAEJ-UHFFFAOYSA-N 289.132 3.961 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](CC)Oc1cccc2ccccc12 216247128 BOJXHHIQIVQAGZ-XJKSGUPXSA-N 285.387 3.912 0 40 CHAB CC[C@H](N)c1cnc(N2CCCc3ccccc32)cc1C 72223924 YPDIQXZDPBDQAQ-INIZCTEOSA-N 281.403 3.884 0 40 CHAB CCCCO[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225087111 DTAPYPKQHXGNLU-LBPRGKRZSA-N 291.174 3.806 0 40 CHAB CCC[n+]1cccc(-c2nc3cc(CC)ccc3o2)c1 226774547 RBJDINDAOYNRBT-UHFFFAOYSA-N 267.352 3.755 0 40 CHAB CC[C@@H](NC(=O)Cc1ccccc1)c1ccc(OC)c(C)c1 225749548 BMJWRWSILOGXBL-QGZVFWFLSA-N 297.398 3.814 0 40 CHAB CCOc1ccc([C@@H]2COc3ccc(C)cc3N2)cc1 96531290 CULBDUXQNZGPIV-INIZCTEOSA-N 269.344 3.939 0 40 CHAB O=C(c1c[nH]c2cc(Br)ccc12)C(F)(F)F 39270733 NUILEHCMTCIUPS-UHFFFAOYSA-N 292.054 3.675 0 40 CHAB Cc1cc(C(=O)CC2(CC(=O)O)CCCC2)ccc1F 94073522 XEZHEXKSFHQIGC-UHFFFAOYSA-N 278.323 3.742 0 40 CHAB O=C(c1ccccc1)c1nccc2c1[nH]c1ccccc12 66077715 ZVQHFEFCMIBJJF-UHFFFAOYSA-N 272.307 3.947 0 40 CHAB C[C@@H]1C[C@H](N(C)C2CCC2)CCN1Cc1ccccc1 95441671 AGYDJTMPFLQYCT-CRAIPNDOSA-N 272.436 3.524 0 40 CHAB O=C1Nc2ccccc2/C1=C\c1ccc(Cl)cc1 12339637 CIXKMQYKNWKSNZ-UKTHLTGXSA-N 255.704 3.833 0 40 CHAB CCc1ccc(O[P@@](C)(=O)Nc2cccnc2)cc1 12487052 CAKMZKSWKLZAJU-LJQANCHMSA-N 276.276 3.958 0 40 CHAB Cc1cc2cc(CNc3ccccc3)c(=O)[nH]c2cc1C 12493358 TVVMUKDQROYQAY-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1cc([C@H]2CCCCCN2Cc2ccc(O)cc2)on1 19120270 VHROQJNJJAILJG-MRXNPFEDSA-N 286.375 3.806 0 40 CHAB Cc1ccc2c(CN3CCC[C@@H](C)C3)cc(=O)oc2c1C 3564926 KITAMWKRJMWJMU-GFCCVEGCSA-N 285.387 3.642 0 40 CHAB Cc1cc(C)c2c(C)c(C(=O)N[C@@H](C)C3CC3)sc2n1 25772570 STZPSOSVAZBFSF-NSHDSACASA-N 288.416 3.750 0 40 CHAB COc1cccc(CNc2nc(=S)[nH]c3ccccc23)c1 425527 LLXVFENTNAWDAE-UHFFFAOYSA-N 297.383 3.913 0 40 CHAB Cc1ccc(C(=O)NCc2cncc(-c3ccco3)c2)s1 575619440 SZIZTSUEBCLQMR-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1Cl 13668725 URWIBVNYIWOALU-NSHDSACASA-N 271.747 3.931 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(OC(F)F)c2)C1 40120530 AWRAHLRVFSNNCZ-GHMZBOCLSA-N 298.333 3.798 0 40 CHAB CCC(=O)/N=c1\sc2ccccc2n1-c1ccccc1 100529788 VETPWFDZLFWNHI-MSUUIHNZSA-N 282.368 3.529 0 40 CHAB COc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1 149136 RMDXAPBDBZEQNF-UHFFFAOYSA-N 290.388 3.803 0 40 CHAB CCOC(=O)c1c(C)n(CC)c2ccc(OCC)cc12 348582 RSPJLHUFLVJFKX-UHFFFAOYSA-N 275.348 3.545 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102235454 XTYIUYAVNIZXFM-JBLDHEPKSA-N 281.808 3.572 0 40 CHAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 41839 QGDUSMCWZYHIDZ-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB CC(C)NC(=O)c1ccccc1Sc1ccccc1 84975 RJGZVWBYGADVCT-UHFFFAOYSA-N 271.385 3.976 0 40 CHAB COc1ccccc1C(=O)N[C@H]1CC(C)(C)Cc2occc21 545485 QLGGCKAUOSUXJP-AWEZNQCLSA-N 299.370 3.732 0 40 CHAB COc1ccc2[nH]c(C)c(C/C=C(\C)Cl)c(=O)c2c1 8740340 LFMUZMATFKTJPN-RUDMXATFSA-N 277.751 3.530 0 40 CHAB biogenic CCOP(=O)(Nc1cccc(Cl)c1)OCC 1555331 MOIRWHHANKSVBD-UHFFFAOYSA-N 263.661 3.933 0 40 CHAB CSCc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1 21875607 WPIXYKQRFYSUGQ-IUODEOHRSA-N 277.433 3.858 0 40 CHAB COc1cc([C@@H]2OC[C@H]3[C@H](C)[C@@H]2C(C)=C[C@H]3C)ccc1O 4027084 SOHWVJPJRLXISV-MVZULYOMSA-N 288.387 3.937 0 40 CHAB biogenic Nc1cccc(-c2nc3cc(Br)ccc3[nH]2)c1 4243982 BAFIZLLHBUFQAM-UHFFFAOYSA-N 288.148 3.575 0 40 CHAB C[C@@H](c1ccccc1)[C@@H]1OC[C@H](c2ccccc2)O1 4723105 HDPAECJQAWSMGH-IAOVAPTHSA-N 254.329 3.904 0 40 CHAB Cc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 6339018 MAWNGIKBPGXXOU-AWEZNQCLSA-N 269.344 3.709 0 40 CHAB Cc1cc(C)cc(CSCC(=O)NCCC(C)C)c1 8335577 DZOLDACJGNFFAK-UHFFFAOYSA-N 279.449 3.699 0 40 CHAB CCc1ccccc1NC(=O)c1ccc2nnsc2c1 12274817 HEXBFAWWUNGBHO-UHFFFAOYSA-N 283.356 3.506 0 40 CHAB O=C1N(c2ccccc2)[C@@H](c2cccc(F)c2)C1(F)F 991595 AVTMXJVZVOQWRL-ZDUSSCGKSA-N 277.245 3.549 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1cc(Cl)ccc1O 1682067 NXDGLRGDIKDWIF-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2N 12658407 WDTAJXMIXADUTH-IFHBXBJUSA-N 291.479 3.717 0 40 CHAB Cc1ccc(N(Cc2ccco2)C(=O)c2cccnc2)cc1 4269664 ZKBDCLXJYLCREG-UHFFFAOYSA-N 292.338 3.830 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2ccccc2C(C)=O)c1 6342696 LLSUANHBYXKEKM-ZHACJKMWSA-N 295.338 3.550 0 40 CHAB CSc1ncccc1C(=O)Nc1cc(F)ccc1C 5699094 UPPKGGHCGYMTQM-UHFFFAOYSA-N 276.336 3.503 0 40 CHAB CC[C@@H](C)N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 6788125 CILWEQVQHBKYMA-RKDXNWHRSA-N 289.206 3.709 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1ccsc1C(=O)OC 5793172 AAHIBWMYHDKUIL-JTQLQIEISA-N 283.393 3.690 0 40 CHAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(Cl)c1 7139164 OXFTZUGGCOJIBB-JTQLQIEISA-N 299.761 3.707 0 40 CHAB CSC1=NC2(CCCCC2)NC2=C1CCCC2 19882769 OBYIUSUDAJJNSE-UHFFFAOYSA-N 250.411 3.840 0 40 CHAB COc1ccccc1[C@H](C)Nc1ncnc2sccc12 8488998 PCINXYLMZADFMA-JTQLQIEISA-N 285.372 3.873 0 40 CHAB CCCCC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20136595 ZKZTWBVJNYTNMW-UHFFFAOYSA-N 273.332 3.568 0 40 CHAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1F 22871489 BLPHGEVWCNLIGZ-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB C[C@@H](NC(=O)NCc1ccccc1)c1cc2ccccc2o1 9961200 ULCOBRTYSCCDIF-CYBMUJFWSA-N 294.354 3.993 0 40 CHAB CCc1ccc(NC(=O)c2cc(N)ccc2Cl)cc1 20194142 MOCAXKRVEVGUQZ-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB O=C(Oc1ccc(Cl)cc1)c1ccc2cnncc2c1 408978228 LRXDNRKXJLKBDO-UHFFFAOYSA-N 284.702 3.502 0 40 CHAB CC1(C)C[C@]1(Cn1ccnc1-c1c[nH]cn1)c1ccccc1 71738412 LYCCUHKVEMFBDE-SFHVURJKSA-N 292.386 3.641 0 40 CHAB ClC1(Cl)C[C@@H]1CCN1CCCC[C@@H]1c1cn[nH]c1 521396164 YJRWZUIZISCCAU-NWDGAFQWSA-N 288.222 3.521 0 40 CHAB Cc1noc(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 44227544 CVTWDHFTOQTYJC-UHFFFAOYSA-N 294.314 3.689 0 40 CHAB CCCCc1ccc(N(CC)[C@@H](CC)C(=O)O)cc1 225003812 KFQJVESBJYTXJW-HNNXBMFYSA-N 263.381 3.719 0 40 CHAB Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1C 225640561 LJTRNDLBJJZLJN-FMKPAKJESA-N 257.377 3.530 0 40 CHAB CCc1ccc(C[C@H](Oc2ccccc2C)C(=O)O)cc1 225042206 YFJCVSFWFYEFJQ-KRWDZBQOSA-N 284.355 3.632 0 40 CHAB CNc1ccc(N2CCCC[C@@H]2C)c(Br)c1 226275547 GOHMVGUDGVUIDZ-JTQLQIEISA-N 283.213 3.870 0 40 CHAB O=C1C/C(=C\c2c(F)cccc2Cl)N2CCC1CC2 96900734 AIBRTPUIDWLUKQ-DHZHZOJOSA-N 279.742 3.505 0 40 CHAB Cc1ccc(C(=O)C(F)(F)F)cc1OCC(C)C 95732832 HIURAYRTIADSND-UHFFFAOYSA-N 260.255 3.775 0 40 CHAB Cc1cnc(NC(=O)Nc2ccc(Cl)cc2)s1 253534 JWGAGOHCBBTLMN-UHFFFAOYSA-N 267.741 3.749 0 40 CHAB O[C@@H](c1cc(Br)ccc1Cl)C(F)(F)F 236531816 QPDLSISMBOXVQA-ZETCQYMHSA-N 289.478 3.698 0 40 CHAB COc1cccc(CC(=O)Nc2c(C)cc(C)cc2C)c1 5559718 QYIKXNMJQMZXOD-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB Cc1ccc2cc(CNc3ccccc3C)c(=O)[nH]c2c1 5025912 AHBPJNHFSSAMAN-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)nc1 14423386 FPPWZGXYVPBBLM-UHFFFAOYSA-N 286.762 3.636 0 40 CHAB Cc1ccc(Cl)cc1C(=O)N(C)Cc1cccc(O)c1 533118408 AZUVXZVVEFWCSF-UHFFFAOYSA-N 289.762 3.626 0 40 CHAB CCOC(=O)c1ccc(C(=O)C2CCCCC2)s1 261196481 SVERKPGDYNQNPZ-UHFFFAOYSA-N 266.362 3.688 0 40 CHAB O=C(Nc1c[nH]c2ccccc12)NC1CCCCC1 5299870 CXZXRBAJDZDRFT-UHFFFAOYSA-N 257.337 3.622 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1ccnc(C(C)C)n1 1775969294 JFGHPVJROFLUKD-OKILXGFUSA-N 257.381 3.678 0 40 CHAB CCC[C@@H](C)C(=O)c1ccc(Cl)cc1C(=O)OC 575361912 ROINDEPKOHBBOU-SECBINFHSA-N 268.740 3.746 0 40 CHAB CC(C)Oc1ccccc1NC(=O)/C=C/c1ccncc1 32287024 XFTHRHSPEVJJFZ-BQYQJAHWSA-N 282.343 3.521 0 40 CHAB Cc1ccc(C(=O)Nc2nsc(-c3ccccc3)n2)cc1 387307 YMUDCIULNDMNRF-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc2cccnc12 32739325 ATMLKEGHHKERIX-LBPRGKRZSA-N 252.317 3.530 0 40 CHAB Cc1ccc(COc2cccc(/C=C/C(=O)O)c2)cc1 11897411 OXPSJZCBGGXPKF-MDZDMXLPSA-N 268.312 3.672 0 40 CHAB C[C@H]1CCc2onc(C(=O)Nc3cccc(Cl)c3)c2C1 426588 KIMNKEPYXBKUAD-VIFPVBQESA-N 290.750 3.705 0 40 CHAB C[C@H](CCOc1ccc(C=O)cc1)Oc1ccc(C=O)cc1 2750047 ZCIHZLNMNRHHMR-CQSZACIVSA-N 298.338 3.548 0 40 CHAB c1ccc(Cc2cccc[n+]2Cc2ccccc2)cc1 1763716 SGWDPXMORNZDKZ-UHFFFAOYSA-N 260.360 3.613 0 40 CHAB Cc1cc(C)cc(S(=O)(=O)c2cc(C)cc(C)c2)c1 2527958 CIGCGMTZBDMBAG-UHFFFAOYSA-N 274.385 3.753 0 40 CHAB CC(=O)Nc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1 2729212 ORMPWWHFASCUBD-CYBMUJFWSA-N 290.407 3.590 0 40 CHAB CC1(C)C[C@@H]([C@H]2NCCc3c2[nH]c2ccccc32)CCO1 518095 TYMZPQWLYHQVOT-BLLLJJGKSA-N 284.403 3.560 0 40 CHAB biogenic Cc1ccc(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)c(C)c1 8041130 FBRPAHAYQGJLKO-HNNXBMFYSA-N 291.435 3.868 0 40 CHAB Nc1cc(-c2nc3ncccc3o2)c(Cl)cc1Cl 8702048 WOWNOUMZIVOLRZ-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB FC(F)(F)c1ccc2[nH]c(-c3ccccn3)nc2c1 107793430 IUGHBMGDOBKHKN-UHFFFAOYSA-N 263.222 3.644 0 40 CHAB OCCNc1nc(-c2ccccc2)c(-c2ccccc2)s1 3218373 GCPASSYHDFXAAD-UHFFFAOYSA-N 296.395 3.881 0 40 CHAB Cc1ccccc1NCC(=O)c1ccc(Cl)cc1 3226893 VJPJXMLKSCHUIU-UHFFFAOYSA-N 259.736 3.943 0 40 CHAB CCCCNC(=O)c1ccc(C2SCCS2)cc1 12614785 NDHSZLIGDPZUGY-UHFFFAOYSA-N 281.446 3.695 0 40 CHAB Fc1ccccc1-c1noc(-c2ccc(Cl)nc2)n1 22120403 LLECDAQNHJFRTJ-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB C[C@@H](NC(=O)c1cccs1)c1nc(-c2ccccc2)c[nH]1 58215517 BFSDQRNLMSQHMN-LLVKDONJSA-N 297.383 3.629 0 40 CHAB Cc1cccc(C)c1NC(=S)N1CCCC[C@@H]1C 3338694 JVRZNPOOYSZTRH-ZDUSSCGKSA-N 262.422 3.875 0 40 CHAB Cc1ccc(NCc2cc(C)on2)c(Br)c1 58338224 UBPYHMPVAAFHTP-UHFFFAOYSA-N 281.153 3.666 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccccc1C 2378874 UOTSGUMPXTUTSN-UHFFFAOYSA-N 262.349 3.691 0 40 CHAB Fc1ccc(OCc2noc(-c3ccsc3)n2)c(F)c1 48333604 BFVSKKYMKQXUMY-UHFFFAOYSA-N 294.282 3.655 0 40 CHAB Cc1ccc(NC(=O)NC[C@H](C)N(C)c2ccccc2)cc1 48324408 LTMXNRWOPOQTPO-HNNXBMFYSA-N 297.402 3.641 0 40 CHAB Cc1cccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c1 12893253 IMFPRWOTDGLHFV-KRWDZBQOSA-N 296.370 3.600 0 40 CHAB COCc1ccccc1NC(=O)N(C)CC1CCCCC1 46032610 NSIMFHNGVSWPLG-UHFFFAOYSA-N 290.407 3.877 0 40 CHAB C[C@@H](NC(=O)c1ccccc1Cl)c1cccs1 12853136 XFGDFVCNSNAMRR-SECBINFHSA-N 265.765 3.893 0 40 CHAB Cc1cccc(-c2nn(Cc3ccccc3)cc2C=O)c1 3426883 BOFWJVUVEURHRN-UHFFFAOYSA-N 276.339 3.719 0 40 CHAB c1ccc(COc2ccc(-c3ccn[nH]3)cc2)cc1 48801368 DNOYFJPTZJXJDK-UHFFFAOYSA-N 250.301 3.656 0 40 CHAB Cc1ccc(C(=O)Nc2cccc3cccnc23)s1 9364818 BAGJAFMGMBXCFV-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB O=C(O)C1(Nc2cccc(Cl)c2)CCCCC1 4253321 NCPLLVAWHKQYEI-UHFFFAOYSA-N 253.729 3.539 0 40 CHAB CCOc1cccc(CNC(=O)Cc2ccc(C)c(C)c2)c1 20459224 RPNORSUFNOYZFT-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB CCCCNC(=O)CCSCc1c[nH]c2ccccc12 13858081 BMRMDZDHMNSJLB-UHFFFAOYSA-N 290.432 3.708 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)o1 6206365 AAAZYDWEPFIYQE-UHFFFAOYSA-N 269.222 3.859 0 40 CHAB c1ccc2[nH]c(SCc3ccc4c(c3)OCO4)nc2c1 4830140 NFNIDWFCBZBMBJ-UHFFFAOYSA-N 284.340 3.584 0 40 CHAB COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1OC 6832379 CJRUHHWPHIOAFT-CYBMUJFWSA-N 299.370 3.836 0 40 CHAB Cc1ccccc1CC(=O)Nc1ccccc1Cl 7476655 WYYABEWDWXCOMQ-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB c1csc(-c2nc(N3CCCO3)c3ccccc3n2)c1 96011370 ROWRQBBULUTCFG-UHFFFAOYSA-N 283.356 3.500 0 40 CHAB CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1nccs1 69514827 BDCFYHGNHAVRCR-NEPJUHHUSA-N 292.791 3.563 0 40 CHAB CC(C)NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 71884012 PWULCJKAYUBENB-NSHDSACASA-N 289.404 3.579 0 40 CHAB Cc1cnc(CN[C@@H](C)c2ccc(Cl)s2)o1 97374230 HUIOFRISBMCTEE-QMMMGPOBSA-N 256.758 3.549 0 40 CHAB Cc1csc(NC(=O)c2occc2-c2ccccc2)n1 9748605 VNTKGJBRFPAWCB-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB CC(C)CC(=O)c1cc(Br)cc(F)c1O 52068550 NKZYYIJWIOFAHP-UHFFFAOYSA-N 275.117 3.523 0 40 CHAB C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CC[C@@H]2O)CC(=O)CC4 5530048 BAZGVDKAIHZPOH-FPSMNIFISA-N 274.404 3.633 0 40 CHAB biogenic COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 30769223 MLNDJPYVJPUGQC-UHFFFAOYSA-N 278.311 3.530 0 40 CHAB COc1cccc2c(Nc3ccccc3C(=O)O)ccnc12 78401503 MKECJPSBZGZQHK-UHFFFAOYSA-N 294.310 3.685 0 40 CHAB Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)ccn1 72219454 FDQXXQNXUBIQCY-QGZVFWFLSA-N 296.370 3.864 0 40 CHAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COC(C)C)c1 224430338 SUANLZJQDLFYCU-ZDUSSCGKSA-N 293.407 3.539 0 40 CHAB Cc1cc(-c2nc(C3CC3)no2)c2ccc(F)cc2n1 84083312 UXEPNAHXQUSKJE-UHFFFAOYSA-N 269.279 3.610 0 40 CHAB Brc1nc2cc(-c3ccccc3)ccc2[nH]1 85399017 LQXLOMLTUDALGZ-UHFFFAOYSA-N 273.133 3.992 0 40 CHAB Cc1cc2nc(-c3cccc(N)c3C)[nH]c2cc1C 45954329 MCUCWMVIYUAILH-UHFFFAOYSA-N 251.333 3.737 0 40 CHAB COc1cc2cc(Cl)nc(Cl)c2cc1OC 45921456 PDJTYACMQQZNHN-UHFFFAOYSA-N 258.104 3.559 0 40 CHAB O=C(Cc1cccc(Cl)c1)NCCSC1CCCC1 225239518 KGZKFBUYGMWCBK-UHFFFAOYSA-N 297.851 3.675 0 40 CHAB N[C@H]1CC2(CCC2)Sc2cc(Br)ccc21 238676044 IEODLMYQSBMIML-JTQLQIEISA-N 284.222 3.867 0 40 CHAB CN(C)c1ccc(C(=O)c2cc(F)cc(Cl)c2)cc1 95916230 REIDNTHPWYSBGC-UHFFFAOYSA-N 277.726 3.776 0 40 CHAB O=C(N[C@H]1C[C@H]1c1ccccc1Cl)c1cc(Cl)c[nH]1 585125643 UFVKUPMLNXLRNO-JQWIXIFHSA-N 295.169 3.607 0 40 CHAB CC(C)Oc1cc(F)c(F)cc1Br 90413636 CLWBEPLRAXFDCZ-UHFFFAOYSA-N 251.070 3.515 0 40 CHAB in-vitro O=C(O)/C=C/c1ccc(-c2cccc(Br)c2)o1 3065606 LCSPKWZJKGIVMQ-FNORWQNLSA-N 293.116 3.807 0 40 CHAB O[C@@H](c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F 1536084358 JQHQCMZQOOUQHH-ZETCQYMHSA-N 278.579 3.955 0 40 CHAB CC(C)CCNC(=S)Nc1ccccc1Cl 13821134 OCIDBSQUNLLPMV-UHFFFAOYSA-N 256.802 3.673 0 40 CHAB Nc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 19405031 HBCOHEVMVROZHW-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CC1(C)CC(NCc2cccc(Cl)c2)CC(C)(C)N1 20143396 QZZUSYOEEQMQNV-UHFFFAOYSA-N 280.843 3.739 0 40 CHAB Cc1noc(C)c1CN(C)[C@@H](C)c1ccc(F)c(F)c1 40487885 RVJNBCGKMCAXPT-JTQLQIEISA-N 280.318 3.763 0 40 CHAB Cc1csc(C(=O)NCc2ccnc(-c3ccco3)c2)c1 238920233 SYMUHXIRJHURFS-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB CCc1ccc([C@H](C)NCc2cccc(O)c2)cc1 34992694 PAUFDTIRFCOIDA-ZDUSSCGKSA-N 255.361 3.805 0 40 CHAB c1ccc(-c2cc(NCc3cccs3)ncn2)cc1 36708961 LBQNCUSNWVUINP-UHFFFAOYSA-N 267.357 3.817 0 40 CHAB COc1ccc([C@@H](C)NC(=O)c2cc3ccccc3o2)cc1 32109854 RVNCILNNDNQMPE-GFCCVEGCSA-N 295.338 3.932 0 40 CHAB O=C(Nc1cccnc1)N1CCC[C@@H]1c1ccsc1 40554864 XUMOLSUVGBXLHP-CYBMUJFWSA-N 273.361 3.512 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1ccsc1 40534440 HKROUGIRTYZOIK-JSGCOSHPSA-N 261.390 3.768 0 40 CHAB O=C(CCC1CCCC1)Nc1cc(=O)oc2ccccc12 101584049 BCILGXYPXVRORR-UHFFFAOYSA-N 285.343 3.702 0 40 CHAB O=C(O)C[C@@H](CCc1ccccc1)c1ccccc1 338894 KADKHVAFGMMXGM-MRXNPFEDSA-N 254.329 3.878 0 40 CHAB S=c1sc2c(Cl)ncnc2n1-c1ccccc1 32381 FQYRZHWDMVRYHF-UHFFFAOYSA-N 279.777 3.865 0 40 CHAB CC(C)(C)NC(=S)Nc1ccccc1C(F)(F)F 150642 SEHXNDRIUMGLRD-UHFFFAOYSA-N 276.327 3.790 0 40 CHAB CCc1ccccc1Nc1nc(C)nc2c1CCC2 11907761 XSMWEVGYJPMYGE-UHFFFAOYSA-N 253.349 3.580 0 40 CHAB O=C(c1cc(-c2ccccc2Cl)on1)N1CCCCC1 815173 IPSZEZSPROVCHU-UHFFFAOYSA-N 290.750 3.621 0 40 CHAB c1ccc(C(O[C@@H]2CCCNC2)c2ccccc2)cc1 2583358 ZVMFVQWWCVDATC-QGZVFWFLSA-N 267.372 3.545 0 40 CHAB Cc1ccc(NC(=O)CC(C)C)c(Br)c1 483611 LIJPGHPLCMPMMY-UHFFFAOYSA-N 270.170 3.742 0 40 CHAB Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 415527 ZXCMGFVABPBNBQ-UHFFFAOYSA-N 277.776 3.703 0 40 CHAB O=C(NC1CCCCCC1)c1c(F)cccc1Cl 3437756 JQGAFJLKALZNCC-UHFFFAOYSA-N 269.747 3.932 0 40 CHAB CCCCc1ccc(C(=O)c2ccccc2N)cc1 41323541 GXSRYUSRVTYFEV-UHFFFAOYSA-N 253.345 3.842 0 40 CHAB CCc1cc2cc(Br)ccc2nc1OC 21987732 ZCXYMPXXSRBSCA-UHFFFAOYSA-N 266.138 3.568 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCO2 568335 QLRAFFRDXNZOBM-UHFFFAOYSA-N 289.718 3.629 0 40 CHAB CCCCCNC(=O)CSCc1cccc(Cl)c1 6597192 MMMGPPBJFNVOAL-UHFFFAOYSA-N 285.840 3.880 0 40 CHAB O=C(Nc1ccncc1)N[C@H](c1ccccc1)C1CCC1 104767638 WTYAFCFZAVSPSE-MRXNPFEDSA-N 281.359 3.745 0 40 CHAB CC(C)c1nnc2sc(-c3ccc(F)c(Cl)c3)nn12 9576030 ISWDKBRAUMJQHM-UHFFFAOYSA-N 296.758 3.769 0 40 CHAB CC(=O)Cc1ccccc1OC(=O)c1ccc(Cl)cc1 3190057 QWMYYCWGKNWICG-UHFFFAOYSA-N 288.730 3.691 0 40 CHAB CC[C@H](NC(=O)c1ccc(F)cc1)c1ccc(OC)cc1 21836339 ROKQSRBNMDXOKC-INIZCTEOSA-N 287.334 3.715 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1C 20454408 NLGUZLMGLJUYFU-KRWDZBQOSA-N 297.398 3.777 0 40 CHAB CCc1ccc(CNC(=O)c2ccc(Cl)s2)s1 36394610 SPULXRMLAMEFEA-UHFFFAOYSA-N 285.821 3.955 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1 20110369 YKUWNOHLWGZMAD-SFHVURJKSA-N 297.398 3.777 0 40 CHAB C[C@@H]1c2ccsc2CCN1c1ncnc2ccsc12 28624989 DFJJOSJHCBRKER-SECBINFHSA-N 287.413 3.877 0 40 CHAB COc1ccc(NC(=O)c2ccccc2OC)cc1Cl 3472196 XHCTZCVAZWKJCX-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB Cc1cc(NC(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 48602614 FGHDSPOOZWZWOR-UHFFFAOYSA-N 298.173 3.596 0 40 CHAB Clc1ccc(-c2[nH]nc3c2CCC3)c(Cl)c1 4002569 JCDSCQIIKBGNMO-UHFFFAOYSA-N 253.132 3.872 0 40 CHAB O=C(OCCOc1ccc(F)cc1)c1c[nH]c2ccccc12 5090678 NAFIUVBKVCAGSB-UHFFFAOYSA-N 299.301 3.543 0 40 CHAB CCOc1ccc(NC[C@@H]2CCOC(C)(C)C2)cc1 4296031 QGTKEDSQUDRCEG-CYBMUJFWSA-N 263.381 3.702 0 40 CHAB CCc1sc(-c2nnc3n2CCCCCC3)cc1C 8877943 MZGCKRNKKQOXPJ-UHFFFAOYSA-N 275.421 3.994 0 40 CHAB Cc1cc(C)cc(NC(=O)c2ccc(F)cc2F)c1 6386905 SPTJRAIBVCRUAF-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1ccc(CSCCNC(=O)Cc2ccccc2)cc1 5682845 SXHUUPDWMUMMHF-UHFFFAOYSA-N 299.439 3.587 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1C 20454407 NLGUZLMGLJUYFU-QGZVFWFLSA-N 297.398 3.777 0 40 CHAB COC(=O)Nc1cc2oc3ccccc3c2cc1OC 16991887 RBTQXOZPCRARQX-UHFFFAOYSA-N 271.272 3.773 0 40 CHAB O=C(c1cccc2ccccc12)[C@H](O)c1ccccc1 3844982 AYNNGWPVYCXQDE-QGZVFWFLSA-N 262.308 3.756 0 40 CHAB biogenic C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@H]1CCC2=O 35565310 BHTWZQKERRCPRZ-JZXOWHBKSA-N 270.372 3.762 0 40 CHAB CSc1ccccc1C(=O)Oc1ccc2c(c1)ncn2C 70974265 VUWSBCTXCDUOCK-UHFFFAOYSA-N 298.367 3.514 0 40 CHAB O=C(NCc1ccccc1)N1CCC[C@H]1c1cccc(F)c1 36620347 VWBABVHBPMVLPI-KRWDZBQOSA-N 298.361 3.872 0 40 CHAB CCN(CC)c1ccc([C@@H]2CCCCN2C(C)C)cn1 72212856 QTLWPMIWGWHSRB-INIZCTEOSA-N 275.440 3.863 0 40 CHAB FC(F)(F)/C(Cl)=C(/Br)C(F)(F)F 76941505 HQDIBYVKNAQTGX-UPHRSURJSA-N 277.389 3.956 0 40 CHAB Fc1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 225321722 JUEAGHGVWAPYTJ-JRKPZEMJSA-N 298.814 3.954 0 40 CHAB CCCNC(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223391802 MYSFXALWUSWUCF-CYBMUJFWSA-N 292.423 3.897 0 40 CHAB CCCCOc1ccc(C(=O)c2ccc(C)cn2)cc1 45028561 ZOTRTJAFGFFLFX-UHFFFAOYSA-N 269.344 3.800 0 40 CHAB CCc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1 40964780 CFPTXFQTHCFIQM-UHFFFAOYSA-N 283.400 3.899 0 40 CHAB CC[C@H](C(=O)OC)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223200644 LPLFPNHBHVLNBI-SMDDNHRTSA-N 293.382 3.870 0 40 CHAB Cc1ccc(S[C@H](Cc2ccccc2F)C(=O)O)cc1 225052691 LDUSJBYZBBYKSE-OAHLLOKOSA-N 290.359 3.922 0 40 CHAB Cc1ccc(C(=O)C(F)(F)C(F)(F)F)cc1C 95916846 HWKKCBNCNIFIKY-UHFFFAOYSA-N 252.182 3.684 0 40 CHAB COc1ccccc1CNC(=O)c1cc2cccc(C)c2o1 148205079 ONKBBTGPDUIZCS-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB CCSc1ccc([C@H](O)c2ccsc2)cc1 95728050 OSGOBWZISLMEIB-ZDUSSCGKSA-N 250.388 3.942 0 40 CHAB COc1ccc(Cl)c(C(=O)COCc2ccccc2)c1 381324059 AIAQNEKMQFQDRB-UHFFFAOYSA-N 290.746 3.748 0 40 CHAB C[C@@H](NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 15626117 TXPYTVDKXFWOGH-SECBINFHSA-N 295.169 3.879 0 40 CHAB c1coc(CN2CCC(OC3CCCCC3)CC2)c1 92736148 YLIGKRSHIIPCNY-UHFFFAOYSA-N 263.381 3.593 0 40 CHAB C[C@H](N[C@@H]1CCCCc2ccccc21)c1cnn(C)c1 95421531 JCRHAKYNJRCVAR-SUMWQHHRSA-N 269.392 3.538 0 40 CHAB CC[C@@H](NCc1nnc(C)s1)c1cccc(Cl)c1 96490953 KDTBVGRAEIWRRG-GFCCVEGCSA-N 281.812 3.741 0 40 CHAB O[C@H]1CCN(C2CCCC2)C[C@H]1Cc1ccc(Cl)cc1 1615191788 KKECKQGLHMXILP-PBHICJAKSA-N 293.838 3.508 0 40 CHAB CCN(CC)CC[C@H](O)c1cccc2ccccc12 1700094 VQVAXOOFUIPAAC-KRWDZBQOSA-N 257.377 3.605 0 40 CHAB CC[C@@]1(C)C[C@H]([C@H](CCN)c2ccccc2)CCO1 5908341 XFYDEOVNLBSXAJ-ZACQAIPSSA-N 261.409 3.714 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)N1CCc2ccccc21 13673184 GUERGUIPRHNOQJ-CQSZACIVSA-N 297.423 3.898 0 40 CHAB CC(C)(C)c1ccc(-c2nc3cc(C(N)=O)ccc3o2)cc1 226332424 DNNUOQZNBPIACA-UHFFFAOYSA-N 294.354 3.891 0 40 CHAB COc1ccc([C@@H](N)c2cccc(C(F)(F)F)c2)cc1 19415863 QJIFUHQJTOGINK-CQSZACIVSA-N 281.277 3.762 0 40 CHAB O=[S@@](Cc1ccc(Cl)cc1)c1ccccc1 8613240 DMXKWWLFOPKKAW-MRXNPFEDSA-N 250.750 3.648 0 40 CHAB CCc1sc(C(=O)N[C@H](C)c2ccccn2)cc1C 36688731 HTCKNRGBHSMTQX-LLVKDONJSA-N 274.389 3.505 0 40 CHAB CC(=O)c1ccc(Sc2ccccc2C(=O)O)cc1 36825992 APEOVWDFGGIOBD-UHFFFAOYSA-N 272.325 3.739 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)cc1 297358 OHAGWRQRFCFWTA-CYBMUJFWSA-N 259.393 3.999 0 40 CHAB Cc1cccnc1NC(=O)[C@H](C)Sc1ccccc1 32721873 FIXWHAJNBLEAGI-LBPRGKRZSA-N 272.373 3.509 0 40 CHAB Cc1ccccc1S[C@H](C(=O)O)c1ccccc1 11804264 KLDVNMLBHGWENH-AWEZNQCLSA-N 258.342 3.913 0 40 CHAB Cc1ccnn1[C@@H](C(=O)c1ccccc1)c1ccccc1 1558143 JHOQANFJQYSCSH-QGZVFWFLSA-N 276.339 3.664 0 40 CHAB COc1cc(NCc2ccccc2)c2ncccc2c1 1569665 YACXVPTZMBJMFI-UHFFFAOYSA-N 264.328 3.856 0 40 CHAB CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(C)sc1C 79000859 LKSBRFJGGKGOAY-STQMWFEESA-N 283.462 3.769 0 40 CHAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CCC2=O 3201369 DNXHEGUUPJUMQT-BVIKNXMNSA-N 270.372 3.817 0 40 CHAB CCC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 3633913 WPLRTQQWQHYSQW-VIFPVBQESA-N 294.420 3.673 0 40 CHAB C[C@H]1C[C@@]2(C[C@@H](C)c3ccccc3N2)[C@@H](C)CN1C 4006407 DSXWYDFCIRWJDM-FHIRATQRSA-N 258.409 3.705 0 40 CHAB O=C1C[C@@H](c2ccccc2)Cc2c1cnn2-c1ccccc1 8570256 YOFWFRZIXXSMFI-HNNXBMFYSA-N 288.350 3.785 0 40 CHAB C[C@@H](NC(=O)Nc1nccs1)c1ccccc1Cl 42736608 BPJJPRIIQPVHNO-MRVPVSSYSA-N 281.768 3.679 0 40 CHAB CC(C)CCO[C@H](C)C(=O)Nc1ccccc1Cl 58210704 KNOCNMDNDVMFGW-LLVKDONJSA-N 269.772 3.730 0 40 CHAB Cc1cccc(NC(=O)NCCSC2CCCC2)c1 27356522 CLSVPUHCRRUCAX-UHFFFAOYSA-N 278.421 3.792 0 40 CHAB CCOc1cc(NC(=O)N[C@@H](C)c2ccncc2)ccc1C 67347826 CHNLDVKJXDKHJC-ZDUSSCGKSA-N 299.374 3.671 0 40 CHAB COc1ccccc1Nc1nnc(-c2ccccc2)s1 26439478 LCAZJMAKJXJIKD-UHFFFAOYSA-N 283.356 3.957 0 40 CHAB CCOc1ccccc1NC(=O)c1cc(Cl)ccc1N 19398607 RMIKUSKMRNSTSC-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB CCc1nc(NC(=O)c2cc(C)n(CC)c2C)sc1C 65156335 JJPJTLSCUXTAKZ-UHFFFAOYSA-N 291.420 3.704 0 40 CHAB CC(=O)Nc1ccccc1OCc1ccccc1C 6231739 RHWWHIZWNSITHK-UHFFFAOYSA-N 255.317 3.532 0 40 CHAB Cc1ccc(NC(=O)c2c(F)cccc2F)c(C)c1 6340333 VWLGKBSQLUPUKK-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2ccccc2)s1 19927541 WAVLUZKYVMGPIR-MFKMUULPSA-N 290.413 3.619 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1ccc(OC)cc1OC 4506194 KWKOZBIYVZZQIQ-GFCCVEGCSA-N 279.380 3.859 0 40 CHAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1C=CCC1 7941056 QRQRGIQEUFTJAR-SNVBAGLBSA-N 265.740 3.643 0 40 CHAB C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccccc1Cl 95389746 PVWOAYIOLDHXGL-OLZOCXBDSA-N 295.810 3.676 0 40 CHAB CC(C)[C@H]1C[C@H](CN(C)Cc2ccccc2)CCO1 95995474 PNOBLPFZYWHWHJ-IAGOWNOFSA-N 261.409 3.570 0 40 CHAB C[C@@H]1CCN(C(=O)CCc2ccccn2)[C@@H](c2ccco2)C1 75389615 JFCCNSMSFYOQJL-GDBMZVCRSA-N 298.386 3.607 0 40 CHAB Clc1cccc2sc(NCCCn3ccnc3)nc12 34936042 FOYVLCQQDIUGRX-UHFFFAOYSA-N 292.795 3.648 0 40 CHAB Cc1n[nH]c(SCc2c(Cl)cccc2Cl)n1 30925282 PWFQFZPMWVSSPX-UHFFFAOYSA-N 274.176 3.712 0 40 CHAB CC[C@@H](C(=O)NCc1cc(C)oc1C)c1ccccc1 70640350 CNIXOQOLJJYZLB-MRXNPFEDSA-N 271.360 3.706 0 40 CHAB Cc1ccncc1[C@H]1CCCN1Cc1ccccc1 72211388 SLWSFWBQMBDCQU-QGZVFWFLSA-N 252.361 3.727 0 40 CHAB Cc1ccc(N2C(=O)S/C(=C\c3ccc[nH]3)C2=O)cc1 210117053 FTPGLPJANVMOEE-LCYFTJDESA-N 284.340 3.564 0 40 CHAB Cc1cc(NCCCN)c2ccc(Cl)c(Cl)c2n1 222689079 FCQNBMHAQDPSNA-UHFFFAOYSA-N 284.190 3.611 0 40 CHAB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C(=O)O)cc21 223777981 MRLZANUXUAMJNP-QMMMGPOBSA-N 267.756 3.760 0 40 CHAB COc1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1 44446521 FITNXXRDHBAYIS-UHFFFAOYSA-N 287.384 3.562 0 40 CHAB Fc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1F 225860810 KDGNEXIQYBJSBI-UHFFFAOYSA-N 296.386 3.974 0 40 CHAB CC(C)(C)CNC(=O)c1ccc(Cl)cc1Cl 226093335 LGQSKRXHRNBOJZ-UHFFFAOYSA-N 260.164 3.769 0 40 CHAB O=C(c1ccc(F)c(C(F)(F)F)c1)C(F)(F)Cl 228420136 QMBYACOSSCLBHJ-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB Cc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)cc1 225019916 PPYUFMRMFCBHOF-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB CC[C@@H](Oc1ccccc1C)c1nc(-c2cccnc2)no1 531400849 DUKZNUOEAZQUPO-CQSZACIVSA-N 295.342 3.970 0 40 CHAB COc1cc(CO)c(Cl)cc1OCc1ccccc1F 95095039 KTTBLFUMHDKVHV-UHFFFAOYSA-N 296.725 3.559 0 40 CHAB C[C@@H](Cc1ccoc1)NC(=O)Cc1cccc2ccccc12 84833598 HWNHFXKJPUHEQB-AWEZNQCLSA-N 293.366 3.723 0 40 CHAB CN(c1cccc(Br)c1)c1ccccn1 95915549 FOIBEELWLQCQSZ-UHFFFAOYSA-N 263.138 3.612 0 40 CHAB COC(=O)c1cc(Cl)ccc1C(=O)CC(C)(C)C 575361674 DKRLWAPXAPVVEG-UHFFFAOYSA-N 268.740 3.746 0 40 CHAB COC1CCN([C@@H](C)c2ccccc2Cl)CC1 53906814 ZABSOCIKGRJOAQ-NSHDSACASA-N 253.773 3.512 0 40 CHAB C[C@H](Nc1ncnc2sccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102262697 RCRRNGYGLILANJ-ZPFDUUQYSA-N 273.405 3.928 0 40 CHAB c1ccc(-c2n[nH]c3c(-c4ccccc4)n[nH]c23)cc1 5635452 NWJYQSXFBAIQQL-UHFFFAOYSA-N 260.300 3.620 0 40 CHAB CCn1nc(C)cc1NC(=O)c1ccc(C(C)(C)C)cc1 13656587 XRPHFHNLFGUGPE-UHFFFAOYSA-N 285.391 3.761 0 40 CHAB Fc1cccc(NC(=S)NCCCc2ccccc2)c1 13817322 CAUWXFHMNXEBQZ-UHFFFAOYSA-N 288.391 3.745 0 40 CHAB Cc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1N 19471616 GZIYWIIMKPQZGB-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CC(C)c1ccccc1NC(=O)c1cc(C2CC2)ncn1 1888857237 OXWRINZPERTJLY-UHFFFAOYSA-N 281.359 3.730 0 40 CHAB CN1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 1848352541 WPOKZFQIGJMLDI-ZDUSSCGKSA-N 290.794 3.728 0 40 CHAB Cc1noc(C)c1CN[C@H]1CCC[C@@H](C(F)(F)F)C1 35257778 CLNWRRSKWPLHBE-MNOVXSKESA-N 276.302 3.502 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1nnc(C2CCCCC2)o1 10881097 IZOGNGGTAKIVPX-VAWYXSNFSA-N 297.358 3.769 0 40 CHAB Cc1ccc(-c2nccs2)cc1Br 85210343 HJELXNDQCXHNFF-UHFFFAOYSA-N 254.152 3.881 0 40 CHAB Cc1ccc(Cl)c2s/c(=N\C(=O)C(C)(C)C)n(C)c12 100908983 HKZQOTXWEGAXMV-SSZFMOIBSA-N 296.823 3.675 0 40 CHAB Cc1cccc(CC(=O)NCc2ccc(-c3ccco3)o2)c1 575608982 MQGVUEAMUGURAS-UHFFFAOYSA-N 295.338 3.707 0 40 CHAB COc1cccc(NC(=O)COc2ccccc2C(C)C)c1 133452 IDXQRGAAOZFMCM-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB O=C(O)c1ccccc1Sc1ncnc2sccc12 2633011 XCDMGRZLOKLFMO-UHFFFAOYSA-N 288.353 3.541 0 40 CHAB CCC[C@@H](C)N(C)C(=O)Nc1cccc(C(C)=O)c1 41638864 DAIBJNSUDXKOHW-LLVKDONJSA-N 262.353 3.542 0 40 CHAB CCOC(=O)c1ccc(Cn2ccc3ccccc32)cc1 6630378 FGMFEOLBADDXFQ-UHFFFAOYSA-N 279.339 3.866 0 40 CHAB CCC[C@H](Sc1ccccc1NC(=O)C(C)C)C(=O)O 8732831 VTMMTTGHOLKIMU-ZDUSSCGKSA-N 295.404 3.627 0 40 CHAB Cn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1 819109 NKLQCSMKTKEDEQ-UHFFFAOYSA-N 281.334 3.838 0 40 CHAB Cc1ccc([C@@H]2C=C(c3ccccc3)NC(=S)N2)cc1 51329822 ZJSGHFOGTUQIKV-INIZCTEOSA-N 280.396 3.555 0 40 CHAB Cc1c(C)n(Cc2ccccc2)c2ncnc(Cl)c12 1387575 OWTBZRBZLBQVFN-UHFFFAOYSA-N 271.751 3.750 0 40 CHAB C=CC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 35160153 IPMWIWUUAIGOKO-UHFFFAOYSA-N 253.301 3.912 0 40 CHAB Cc1ccc2c(c1)N(C(=O)[C@H]1C[C@H]3CC[C@H]1C3)CCCO2 108158800 OVUDQDIZYSKZTN-KKUMJFAQSA-N 285.387 3.547 0 40 CHAB Nc1nc(C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cs1 100425364 TXTLCPGTCAUVNV-FGRABYKZSA-N 268.813 3.555 0 40 CHAB Cc1cccc(-n2ccnc2S[C@@H]2CCCCC2=O)c1 58055500 VRQULJMETQAPTG-OAHLLOKOSA-N 286.400 3.785 0 40 CHAB Cc1ccc(CC(=O)NC2CCC(C)CC2)cc1C 3326775 DTELCRCRVJFQOQ-UHFFFAOYSA-N 259.393 3.541 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc2ccccc2c1 3399185 YZMVBMHLLSLHSW-RDTXWAMCSA-N 297.398 3.914 0 40 CHAB CCCCc1nnc(NC(=O)Nc2ccccc2)s1 2272968 UHYLILVOISZWOQ-UHFFFAOYSA-N 276.365 3.525 0 40 CHAB Cc1cc(CSc2ccc(C(F)(F)F)cn2)on1 36396340 WPAJSDJDGVALDM-UHFFFAOYSA-N 274.267 3.689 0 40 CHAB CC(C)Oc1ccc(CNC(=O)c2cccc(F)c2)cc1 58702423 ZWWRGVCKXGUCMD-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB Cc1cccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 12748688 QCLIYXWDRNVGKY-UHFFFAOYSA-N 289.338 3.704 0 40 CHAB CCNc1ncnc2cc(-c3ccc(OC)cc3)sc12 12804188 GDBYQLHMIJLBQL-UHFFFAOYSA-N 285.372 3.799 0 40 CHAB Cc1ccc(NC(=S)Nc2ccc(Cl)cn2)cc1 4080951 WMFKBGTXBKXKRX-UHFFFAOYSA-N 277.780 3.852 0 40 CHAB C[C@H]1CCCC[C@@H]1n1c(-c2cccnc2)n[nH]c1=S 6383294 PUJQPRBCIATNGV-JQWIXIFHSA-N 274.393 3.754 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)Cc1c[nH]c2ccccc12 14095712 NUGLXHJJCUFEHB-ZDUSSCGKSA-N 290.366 3.688 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1[C@@H](O)CC2=O 118929079 NDMWORHBIUVARH-SSGRTQLWSA-N 290.447 3.959 0 40 CHAB O=C(NC1CCCCCC1)c1ccc(Cl)s1 8085413 PYCZWVNZLUOMGZ-UHFFFAOYSA-N 257.786 3.854 0 40 CHAB CC(C)(C)OC(=O)N[C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 91303282 IVRUWSXRIDJXDH-AEGPPILISA-N 288.391 3.642 0 40 CHAB COc1cc2c(cc1OC)CN([C@@H](C)c1ccccc1)CC2 138818103 ATZLHOYNOLLLDD-AWEZNQCLSA-N 297.398 3.823 0 40 CHAB Cc1cc(C)c(C[S@](=O)c2ccccc2)c(C)c1 8691824 LFRPTBBRADNILE-GOSISDBHSA-N 258.386 3.920 0 40 CHAB C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cc2ccccc2o1 95968128 GWPVQKBLQIGYOR-ODXCJYRJSA-N 293.432 3.631 0 40 CHAB COc1ccc(CN[C@H](C(C)(C)C)C(F)(F)F)cc1F 95995978 LLIRXHVBBGDVIL-GFCCVEGCSA-N 293.304 3.901 0 40 CHAB O=C(c1ccc(Br)cc1F)C(F)(F)Cl 306189958 POTHYSHCSGRQFC-UHFFFAOYSA-N 287.462 3.603 0 40 CHAB COc1ccccc1-c1c(-c2ccccc2)noc1N 26512437 BDXMJFBQIJPLCK-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB CCCCc1ccc(NC(=O)Cc2csc(C)n2)cc1 27631751 WSLSLOHQRZJTLE-UHFFFAOYSA-N 288.416 3.975 0 40 CHAB O=C(Nc1ccc(N2CCCC2)cc1)NC1CCCCC1 32610741 IDCNAAUESZXALL-UHFFFAOYSA-N 287.407 3.741 0 40 CHAB CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O 409337083 WOTZODIALARIIS-WEVVVXLNSA-N 288.155 3.660 0 40 CHAB CC(C)(C)C(=O)NC[C@@H](c1ccsc1)c1ccco1 675007830 SYXIRGFPFFPTBZ-LBPRGKRZSA-N 277.389 3.635 0 40 CHAB Clc1ccccc1-c1ccnc(C2CCNCC2)c1 72386798 QHLBSWCUZKYWAL-UHFFFAOYSA-N 272.779 3.869 0 40 CHAB O=C(c1cccc(Cl)c1)c1c(F)cc(F)cc1F 37359009 AHMITGYOFIEVBB-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB CC(C)[C@H](C)NC(=O)CSc1ccc(Cl)cc1 49535215 FVPVYQBBNGAZAB-JTQLQIEISA-N 271.813 3.593 0 40 CHAB CCC1(NC(=S)Nc2ccccc2F)CCCC1 225850947 PUXSRYOAQFEUTA-UHFFFAOYSA-N 266.385 3.835 0 40 CHAB CC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1 40448163 MCOQHJICKIWULT-UHFFFAOYSA-N 265.234 3.970 0 40 CHAB Cc1ccc(NC(=S)NC2CCCCCCC2)nc1 225518387 MADZZUOOZOZSMS-UHFFFAOYSA-N 277.437 3.789 0 40 CHAB CCc1cccn1-c1cc(N)cc(C(F)(F)F)c1 228923018 UFTNQQGCPTZWLE-UHFFFAOYSA-N 254.255 3.641 0 40 CHAB COC(=O)c1ccc(CC2CCCCC2)n1C(C)C 226024101 XQTQAWSXLUZNKC-UHFFFAOYSA-N 263.381 3.978 0 40 CHAB C[C@@H]1CCC[C@H]1Nc1ccc(Cl)c(C[S@@](C)=O)c1 195561882 UEOISBBFTDMTSI-MAZCYNQFSA-N 285.840 3.819 0 40 CHAB c1csc(CNCc2csc(C3CCC3)n2)c1 95093914 QEZVVUPQRCMSSM-UHFFFAOYSA-N 264.419 3.762 0 40 CHAB Cc1ccc([C@@H](O)c2cc(F)cc(Cl)c2)s1 95727939 FNGRNBCHJYMWOJ-LBPRGKRZSA-N 256.729 3.931 0 40 CHAB COC(=O)c1cccc(-c2nc3cc(C)ccc3o2)c1 96341531 RFKOXITXVROHFG-UHFFFAOYSA-N 267.284 3.590 0 40 CHAB O=C(O)C1(c2cccc3cccc(Br)c23)CC1 259915795 PIEGOOZXGBHQGV-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB COc1ccc(CC(=O)c2cc(C)cc(F)c2)cc1 93979036 IQABPYHNEVLBFV-UHFFFAOYSA-N 258.292 3.568 0 40 CHAB Nc1cc2ccc(C(F)(F)F)cc2nc1OCC1CC1 685938646 REZYAEJCORHTRN-UHFFFAOYSA-N 282.265 3.625 0 40 CHAB Fc1cc(Cl)cnc1N1CCC(C(F)(F)F)CC1 94053364 JHSPAGMDZKUYAL-UHFFFAOYSA-N 282.668 3.653 0 40 CHAB c1ccc(CSc2nc(-c3cccs3)n[nH]2)cc1 5017652 PIMWOFSKCMJDJL-UHFFFAOYSA-N 273.386 3.826 0 40 CHAB CC(=O)c1ccccc1NC(=O)CCC1CCCC1 19806276 WBBSQKIRTYXXRR-UHFFFAOYSA-N 259.349 3.798 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc(F)cc1 5510867 NYVMJBBYZWCXBT-SRXBQZRASA-N 299.345 3.725 0 40 CHAB CCOc1ccc(NC(=O)c2cc(F)ccc2F)cc1 22560809 FYHGGXYSGDTYJZ-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB Cc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 4070494 FRSNGAZQSCISKP-UHFFFAOYSA-N 283.352 3.962 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1cc(Cl)cc(Cl)c1 575357945 MDXALQMHNSRNPN-UHFFFAOYSA-N 275.131 3.518 0 40 CHAB O=C(/C=C/c1cccs1)NCc1ccc(-c2ccoc2)o1 575610497 OGXHFDOTDHLUGL-GQCTYLIASA-N 299.351 3.931 0 40 CHAB O=C(N[C@@H](c1cccs1)C1CCCC1)C1CCC1 31806307 CAVCZXPYJVHLJO-CQSZACIVSA-N 263.406 3.896 0 40 CHAB O=C(Nc1ccc2cc[nH]c2c1)NC1CCCCC1 20535918 ZJLAGFIKIXGRBG-UHFFFAOYSA-N 257.337 3.622 0 40 CHAB C[C@@]12CCO[C@H]1N(c1ccccc1)c1ccccc12 264435 LYEMDWOVMXRHTL-SJORKVTESA-N 251.329 3.842 0 40 CHAB CCOc1ccccc1C(=O)Nc1cc(C)ccc1OC 303896 KXWKOQLDXOKENV-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB C[C@H](N(C)C(=O)Nc1ccccc1F)C(C)(C)C 32779625 NEFKCWRZRSXTCY-JTQLQIEISA-N 252.333 3.724 0 40 CHAB O=Cc1cnc(Oc2ccc(Br)cc2)s1 1398695 CVPFLBOMHXTDNR-UHFFFAOYSA-N 284.134 3.510 0 40 CHAB CCOC(=O)[C@@H](CCc1ccccc1)c1ccccc1 1631149 SJMGLWKVOOIJRS-KRWDZBQOSA-N 268.356 3.966 0 40 CHAB O=c1cc(CSc2ccc3ccccc3c2)occ1O 78929087 MXYZTXHMTAVWQL-UHFFFAOYSA-N 284.336 3.791 0 40 CHAB O=C(Nc1cccc(F)c1)c1c(F)cccc1Cl 3548431 PYZFWOIEULOXIC-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1C 6175658 AQCQZZGFOSBOFH-JTNHKYCSSA-N 264.344 3.772 0 40 CHAB Cc1nc(-c2ccccc2Br)c(N)n1C1CC1 100761331 DJAPUQIAWWQWLA-UHFFFAOYSA-N 292.180 3.538 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102235940 IBWPVCBFEGOSML-DZUCGIPZSA-N 271.404 3.560 0 40 CHAB CC(C)(C)NC(=O)CCc1ccc(C(C)(C)C)cc1 10338566 XGYLHDLODJYCAQ-UHFFFAOYSA-N 261.409 3.831 0 40 CHAB Cc1ccsc1C(=O)Nc1ccc2c(c1)CCC2 12209473 VLPJBFFSWLVSDC-UHFFFAOYSA-N 257.358 3.798 0 40 CHAB COc1cccc(C=O)c1Nc1cccc(Cl)c1 8732590 BQZZIJBCBZTOBR-UHFFFAOYSA-N 261.708 3.905 0 40 CHAB CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc2ccccc12 47332141 KBTAGTPFJLZZSY-AWEZNQCLSA-N 298.386 3.730 0 40 CHAB Cc1cc(COC(=O)Cc2coc3c(C)c(C)ccc23)on1 24415442 ULMJENOSNZKNKS-UHFFFAOYSA-N 299.326 3.632 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2cccc(N)c2C)cc1 20194592 RLFJHYUPVVURJH-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)c1c2c(CO)nn1-c1ccccc1 100835150 JLWZFHQAVNHAJN-FZKQIMNGSA-N 282.387 3.540 0 40 CHAB C[C@H](CCNC(=O)N[C@H](C)c1ccncc1)c1ccccc1 58289613 GPFQXOHAQXBALY-HUUCEWRRSA-N 297.402 3.636 0 40 CHAB O=C(NCCc1ccc(Cl)cc1)C1(c2ccccc2)CC1 12729938 DYSXUWYDYMFPAX-UHFFFAOYSA-N 299.801 3.731 0 40 CHAB CC(C)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 48347982 GRFUNZKFFSDUSZ-UHFFFAOYSA-N 277.383 3.800 0 40 CHAB Cc1cccc(-c2n[nH]c(=S)n2Cc2ccco2)c1 4205388 HDIZWWKXJGNAAS-UHFFFAOYSA-N 271.345 3.557 0 40 CHAB CC[C@H](C)[C@@H](N)c1nnc(SCc2cccc(F)c2)o1 4310153 GALYNSRAFSHBLM-JOYOIKCWSA-N 295.383 3.547 0 40 CHAB Cc1ccc(CN(CCN(C)C)Cc2cccs2)cc1 23247835 YRALUGBYQPLUQB-UHFFFAOYSA-N 288.460 3.620 0 40 CHAB C[C@H](NC(=O)c1ccco1)c1cccc2ccccc12 4656403 ZWUOKPDIOKQQBO-LBPRGKRZSA-N 265.312 3.924 0 40 CHAB Cc1cc(Br)cc(C)c1C(=O)C(C)C 307642289 JQBYPDXYRAPGRT-UHFFFAOYSA-N 255.155 3.905 0 40 CHAB C/C(=C\c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1C 15249273 QKGZQOLCAMOLCU-GZKZCVOOSA-N 278.355 3.614 0 40 CHAB O=C(Nc1ccncc1)c1ccc(-c2ccc(F)cc2)o1 15497444 VCLGPVCUWZTYRR-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB Cc1ccn(-c2ccccc2NCc2scnc2C)n1 90201065 OLZATGXNVOASAC-UHFFFAOYSA-N 284.388 3.558 0 40 CHAB Cc1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 16089849 DGUWORVKVYXTDP-UHFFFAOYSA-N 298.363 3.916 0 40 CHAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCOCC1 8769137 RXAYTNDBGBAHOC-UHFFFAOYSA-N 297.354 3.844 0 40 CHAB Clc1cccc(CSC2=N[C@@H]3CCCC[C@@H]3N2)c1 9722553 PVHYGQMFJZLFIW-BETUJISGSA-N 280.824 3.844 0 40 CHAB CC[C@@H](O)CN(C)Cc1ccccc1-c1ccccc1 72268820 ZRSQEEGNLYTKMO-QGZVFWFLSA-N 269.388 3.556 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccc(F)c(F)c2)c1 22560144 VBDGTLKXWLZBRX-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CCc1ccccc1C(=O)C(Cl)(Cl)Cl 306947828 QWJMTFJDUUHSDQ-UHFFFAOYSA-N 251.540 3.802 0 40 CHAB C/C(=C\c1csc(Br)c1)c1cnccn1 521928380 ZCLVJRVLZGCBKH-XBXARRHUSA-N 281.178 3.861 0 40 CHAB CC[C@@H](COC)N[C@@H](C)c1ccc(Br)s1 70657883 QRMYKNDQERPTPB-IUCAKERBSA-N 292.242 3.586 0 40 CHAB CSc1cc(Br)ccc1Br 35075127 FJWOCBXOKSWZPN-UHFFFAOYSA-N 282.000 3.934 0 40 CHAB Cc1ncc(NC(=O)C2CCCCC2)c(C)c1Cl 72265147 WMKSHSFEOZIKCV-UHFFFAOYSA-N 266.772 3.871 0 40 CHAB CCOC(=O)c1ccc(-c2ccccc2Br)o1 41127318 JITAMWINGLRWRY-UHFFFAOYSA-N 295.132 3.886 0 40 CHAB CCOc1ccc(-c2nc(-c3ccc(C)c(N)c3)no2)cc1 225174862 HRMQFCVZUIPNRI-UHFFFAOYSA-N 295.342 3.693 0 40 CHAB COc1cccc2cc(C(=O)NCC3=CCCCC3)oc12 224096435 DOHFIOTZPOEYMN-UHFFFAOYSA-N 285.343 3.672 0 40 CHAB CCCCC(=O)Nc1cc(N)ccc1N1CCCC[C@@H]1C 226253564 BEJCPIWOVSKPDN-ZDUSSCGKSA-N 289.423 3.776 0 40 CHAB Cc1c(F)cc2c(C)ccnc2c1Br 85399619 SKPNWMZOZBLTGW-UHFFFAOYSA-N 254.102 3.753 0 40 CHAB COc1ncc(-c2cccc(F)c2)cc1C(F)(F)F 47206346 VQHZRAYFPFEPOW-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB CC[C@H](NN)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 199535937 INDPVIFLKGYXEG-VIFPVBQESA-N 286.219 3.639 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)cc2C)c(OC)c1 95916460 KWPOATYWEMFXJX-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB O=C(NC1CCCC1)c1cccc(Oc2ccccn2)c1 96122619 TUZVZFRRNDLHIR-UHFFFAOYSA-N 282.343 3.546 0 40 CHAB CCOC(=O)c1cnc2ccc(C(C)(C)C)cc2c1 116754182 FHUJPMUALBQIAM-UHFFFAOYSA-N 257.333 3.709 0 40 CHAB COc1ccc2c(c1)OCC1=C2CC[C@@]2(C)C(=O)CCC=C12 16606236 FFWYUWBYJPJSQC-LJQANCHMSA-N 296.366 3.931 0 40 CHAB CCCCc1ccc(NC(=O)c2cnc(C)nc2C)cc1 19937110 PDHQUJMJUAVXMJ-UHFFFAOYSA-N 283.375 3.688 0 40 CHAB Cc1cccc(-n2ncc(C(=O)Oc3ccccc3)c2C)c1 29461144 YCLYFZWGJIDCGE-UHFFFAOYSA-N 292.338 3.708 0 40 CHAB COC(=O)c1ccc(C(=O)CCc2ccccc2)c(C)c1 575362535 VTZSUNPOVWXVKW-UHFFFAOYSA-N 282.339 3.597 0 40 CHAB Cc1cccc(C(=O)N2CCCc3ccc(F)cc32)c1 40117187 DDJXSQAWLBYJAH-UHFFFAOYSA-N 269.319 3.727 0 40 CHAB OC[C@@H]1CCCCN1Cc1sc2ccccc2c1Cl 40081922 UPMYEADFCAYWPC-NSHDSACASA-N 295.835 3.902 0 40 CHAB C[C@H](NC(=O)N(C)Cc1ccsc1)c1ccccc1 40477819 JNMAECDXECIYGT-LBPRGKRZSA-N 274.389 3.651 0 40 CHAB C[C@@H](c1nnc(-c2cccs2)o1)N1C[C@H](C)C[C@@H](C)C1 40463461 CTFVTRWWEXZJPZ-UTUOFQBUSA-N 291.420 3.837 0 40 CHAB C[C@@H]1CN=C(Nc2cccc(C(F)(F)F)c2)S1 134998 DCKNPUPMYYQONS-SSDOTTSWSA-N 260.284 3.609 0 40 CHAB COc1ccccc1/C=C/C(=O)Oc1ccc(C)c(C)c1 149730 DAVGQSVCMVAAOQ-PKNBQFBNSA-N 282.339 3.931 0 40 CHAB CCOc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 479422 AAXPZBIRYDTEFJ-UHFFFAOYSA-N 299.414 3.640 0 40 CHAB O=C(CCc1ccc(F)cc1)c1ccc(F)c(F)c1 2517412 WCZSGSWUBIDLEL-UHFFFAOYSA-N 264.246 3.919 0 40 CHAB CCCc1nnc(SCc2ccc(Cl)cc2)o1 7605075 DJQWBHUSKNWIHM-UHFFFAOYSA-N 268.769 3.968 0 40 CHAB CC[C@H](Oc1ccccc1F)C(=O)NC(C(C)C)C(C)C 8478260 PQUXQKUAAQXZAC-AWEZNQCLSA-N 295.398 3.780 0 40 CHAB CCCC[C@@H](CCC(=O)Nc1cccc(C)c1)C(=O)O 26807840 KEPFQTJOXBRYCE-ZDUSSCGKSA-N 277.364 3.605 0 40 CHAB CCCCN1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C 2019932 VEPZOLKTNZOTTQ-MRXNPFEDSA-N 288.435 3.815 0 40 CHAB in-man O=[S@@](CCCOc1ccc(F)cc1)Cc1ccccc1 58132282 HDAVDYIGNUUUGZ-HXUWFJFHSA-N 292.375 3.544 0 40 CHAB Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C=O 3208011 PPEYODGHGWCLLE-UHFFFAOYSA-N 278.311 3.786 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1 12648035 ABQWDNVBAMWYDM-AWEZNQCLSA-N 268.360 3.555 0 40 CHAB CCCCCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 20136616 DXPKLZRBTHNTCE-UHFFFAOYSA-N 269.728 3.557 0 40 CHAB CCCCCn1c(SCC)nc2ccsc2c1=O 67259646 RGOBAKIHJRQSRQ-UHFFFAOYSA-N 282.434 3.760 0 40 CHAB COc1ccccc1C(=O)CCc1ccccc1C 2516362 NMNOIUXGXXCYNA-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB O=C(NC1CCCC1)c1cc(Cl)nc2ccccc12 12799434 RAAUJBUYXMEAKL-UHFFFAOYSA-N 274.751 3.561 0 40 CHAB O=Cc1nc(-c2cc(Cl)ccc2Cl)cs1 3676480 UILXHAOEWSAUCD-UHFFFAOYSA-N 258.129 3.929 0 40 CHAB N=C(N)Sc1cn(Cc2cccc(F)c2)c2ccccc12 3866083 PHBFENKFWFSVGN-UHFFFAOYSA-N 299.374 3.814 0 40 CHAB Cc1ccc([C@H](CC(=O)O)[C@H]2CCOC(C)(C)C2)cc1 4028774 SJEKEWDPPWCSOR-GJZGRUSLSA-N 276.376 3.759 0 40 CHAB biogenic,in-vitro CN(C(=O)c1ccc2ncsc2c1)c1ccccc1 4088457 QTXMALFIUSNGHB-UHFFFAOYSA-N 268.341 3.573 0 40 CHAB CC1(C)C[C@@H](O)C[C@@]2(C1)C[C@]1(C)C[C@@H](O)[C@H]2C(C)(C)C1 4127737 OYKKAFUDCTVRPS-GNNCWXLZSA-N 280.452 3.751 0 40 CHAB Cc1ccccc1NC(=O)/C=C/C1=Cc2ccccc2OC1 5034373 WTIPRDJUVQAASJ-ZHACJKMWSA-N 291.350 3.966 0 40 CHAB O=C(CSc1ccc(Br)cc1)c1ccc[nH]1 6320821 ZVLUNZYHKWBTND-UHFFFAOYSA-N 296.189 3.752 0 40 CHAB CCc1noc(C)c1C(=O)Nc1ccc(F)cc1Cl 6560429 BYQPZOCFWGYGHY-UHFFFAOYSA-N 282.702 3.590 0 40 CHAB Cc1cccc2cc3c(nc12)N(C(=O)c1ccccc1)CC3 15841995 GRSCYXXTQKGLQA-UHFFFAOYSA-N 288.350 3.746 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cccc(N(C)C)c2)c1 16020616 YFUROPUQKKGFPI-UHFFFAOYSA-N 268.360 3.622 0 40 CHAB COC(=O)c1ccccc1-c1nc2ccccc2s1 7706758 SFQIJGQOZJORAN-UHFFFAOYSA-N 269.325 3.750 0 40 CHAB Cc1csc(N(C(=O)C2CCC2)c2ccccc2)n1 7778565 QEBDCCGDOJZGAX-UHFFFAOYSA-N 272.373 3.916 0 40 CHAB CC(=O)c1ccccc1NCC(=O)Nc1cccc(C)c1C 7976192 VKGLWUHTXIYPKU-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB O=C(CCn1ccc2ccccc21)Nc1ccccc1F 8071522 DZMJJFZPHCANOL-UHFFFAOYSA-N 282.318 3.809 0 40 CHAB C[C@@H](CSc1nncn1C1CC1)c1ccccc1 71909633 JRJVSGLPSRPUIX-NSHDSACASA-N 259.378 3.509 0 40 CHAB O=C(Nc1noc2ccccc12)c1cccc(Cl)c1 9667570 XXVAUOCDKHLMAF-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB CC[C@]1(C(=O)O)CCCN(Cc2cccc(C3CC3)c2)C1 94525602 RNSGFRTWCPKFKW-SFHVURJKSA-N 287.403 3.641 0 40 CHAB Cc1nc(CN2[C@@H](C)c3ccc(F)cc3C[C@H]2C)oc1C 95455784 HTCQZYJMNAHINT-PWSUYJOCSA-N 288.366 3.938 0 40 CHAB Cc1cccc(F)c1NCc1nnc(-c2cccs2)o1 95988598 YGTSTNYXPFLRJK-UHFFFAOYSA-N 289.335 3.858 0 40 CHAB COc1ccc2oc(/C=C/C(=O)NC3CCCCC3)cc2c1 67339583 BNNJJPGNPTVPNQ-CSKARUKUSA-N 299.370 3.904 0 40 CHAB Cc1nc(N)sc1Cc1ccc(Cl)c(Cl)c1 36219652 VXEOUHLPORAVMZ-UHFFFAOYSA-N 273.188 3.931 0 40 CHAB CSCCC(=O)c1cc(Br)ccc1F 69984139 YJIYBRAAXDHZOY-UHFFFAOYSA-N 277.158 3.524 0 40 CHAB Cc1cccc(NC(=O)NC(C)C)c1NC(=O)C(C)(C)C 66088682 QNOSBDQISOZUKC-UHFFFAOYSA-N 291.395 3.510 0 40 CHAB CC(=O)N1CCC[C@H]1c1cccnc1Nc1ccccc1 72214132 PBBMRXWOSSLFIM-INIZCTEOSA-N 281.359 3.509 0 40 CHAB CCCNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 35476469 SLMZZCNREOJNTE-CYBMUJFWSA-N 266.772 3.597 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC(C)C 30867388 FKCNDIZVXJCNFR-OAHLLOKOSA-N 277.408 3.623 0 40 CHAB CN[C@H](C)/C=C/c1ccc(OCc2ccccc2)cc1 70453332 AVVHBXPHMCYFMY-XVJNWHFHSA-N 267.372 3.887 0 40 CHAB CCCCOc1ccc(NC(=O)C2(OC)CCCC2)cc1 225625289 ZSJASQXAPCZLOB-UHFFFAOYSA-N 291.391 3.763 0 40 CHAB CC(C)(C)c1cc(CO)c2cc(Br)ccc2n1 82467240 SOUUUUKUUJHPMR-UHFFFAOYSA-N 294.192 3.787 0 40 CHAB CCOc1ccc(-c2nc3ccccc3[nH]2)cc1OC 41005004 OTAKZPGSMOZRAG-UHFFFAOYSA-N 268.316 3.637 0 40 CHAB CCOC(=O)CCCOc1cc(Cl)ccc1Cl 95738570 RSXRBWXWCREGRB-UHFFFAOYSA-N 277.147 3.716 0 40 CHAB Cc1cccc(CCCNC(=O)c2ccc(C)c(C)c2)c1 96694508 PTVQCXGGPKOEJN-UHFFFAOYSA-N 281.399 3.974 0 40 CHAB CCOc1ccccc1CN1CCCC[C@@H]1c1ccncn1 257228699 FUWWBZMDVOTHKM-QGZVFWFLSA-N 297.402 3.603 0 40 CHAB C[C@]12CC[C@H](N)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 253500985 WMEBIWWUBWHAOJ-QDVBXKBISA-N 291.479 3.717 0 40 CHAB O=C(Nc1ccncc1)N1CCC[C@H]1c1cccc(F)c1 56500824 UYLLRBDXNCXRQA-HNNXBMFYSA-N 285.322 3.590 0 40 CHAB CC(C)COc1c(F)cc(F)cc1Br 95915374 WLEVKGTXSMDBKB-UHFFFAOYSA-N 265.097 3.762 0 40 CHAB Cc1nc(CCNc2ncccc2C(F)(F)F)cs1 97251549 SJAZQKXTMNVKNB-UHFFFAOYSA-N 287.310 3.520 0 40 CHAB Clc1nc(C23CC4CC(CC(C4)C2)C3)ns1 4293701 VLJAYBKIWUHGSK-UHFFFAOYSA-N 254.786 3.659 0 40 CHAB Brc1cccc(Oc2ccncc2)c1 19432273 BOSNYMCOXXOGSZ-UHFFFAOYSA-N 250.095 3.636 0 40 CHAB in-vitro COc1cccc(NC(=O)Nc2ccc3oc(C)nc3c2)c1 11556120 DQHGTZGGQLVQIX-UHFFFAOYSA-N 297.314 3.789 0 40 CHAB CCc1nn2c(C)cc(C)nc2c1-c1ccc(F)cc1 12115652 KQVIZKYGYQJUIO-UHFFFAOYSA-N 269.323 3.715 0 40 CHAB N[C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1 19415297 CWFKHNVINSPTMT-ZDUSSCGKSA-N 251.251 3.754 0 40 CHAB SC1=N[C@@H](c2ccccc2)C2=C(N1)c1ccccc1CC2 2482145 FDBVJMGYNUBQKV-INIZCTEOSA-N 292.407 3.974 0 40 CHAB O=C(/C=C/c1ccsc1)NCc1ccc(-c2ccco2)o1 585147816 RFLKCNFLDFHPDT-ZZXKWVIFSA-N 299.351 3.931 0 40 CHAB Cc1ccc(CCC(=O)N[C@H](C)c2ccc(C)o2)cc1 40017332 OQHUECRUKOPGCO-CQSZACIVSA-N 271.360 3.706 0 40 CHAB Cc1ccc(F)c(NC(=O)CSc2cccs2)c1 40082083 BXEGMDJYBWPTHF-UHFFFAOYSA-N 281.377 3.926 0 40 CHAB CCCCCC[C@@H](C)NC1CCN(CCC)CC1 20306126 OHVNESDCJPUBIL-OAHLLOKOSA-N 254.462 3.809 0 40 CHAB Fc1ccc(-c2nnc3n2-c2ccccc2SC3)cc1 160428 RHQBCANZNHZVKK-UHFFFAOYSA-N 283.331 3.679 0 40 CHAB O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1 1645358 DLISNRZGIRQDLU-UHFFFAOYSA-N 292.378 3.588 0 40 CHAB CCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC 1720861 BDMIAKWZBUATCI-GFCCVEGCSA-N 294.328 3.765 0 40 CHAB Cc1c([C@H]2OC(=O)c3ccccc32)n(C)c2ccccc12 2043016 NTQQWNSXWGMDPW-KRWDZBQOSA-N 277.323 3.747 0 40 CHAB CCCCC(=O)Nc1nnc(-c2ccccc2C)s1 4070326 YINILFUSRIGVQF-UHFFFAOYSA-N 275.377 3.642 0 40 CHAB CSc1ncccc1C(=O)Nc1cccc2cccnc12 515984 PXHAQRXJCQMLII-UHFFFAOYSA-N 295.367 3.604 0 40 CHAB CCOC(=O)/C=C1\N[C@@]2(C)CCCC[C@H]2c2ccccc21 103548152 OZRYCWIDQSCEPD-RWKFBONTSA-N 285.387 3.610 0 40 CHAB Cc1nc(-c2cccc(Br)c2)c(N)n1C1CC1 100761342 SZIVUYXYCJOWSY-UHFFFAOYSA-N 292.180 3.538 0 40 CHAB Clc1cccc(-c2nnc3c4ccccc4ncn23)c1 1400135 VJMPAMJELAXPHG-UHFFFAOYSA-N 280.718 3.598 0 40 CHAB CC[C@@H](C)[C@H](C(=O)OCCN(CC)CC)c1ccccc1 1649105 LKQUJKDIEHGPLY-WBVHZDCISA-N 291.435 3.701 0 40 CHAB Cc1ccsc1CNCCCc1nc2ccccc2[nH]1 35287271 SMGRYYSDKHJZCF-UHFFFAOYSA-N 285.416 3.655 0 40 CHAB COc1ccc(S[C@H](C)C(=O)N(C)C2CCCC2)cc1 20040153 BXSRPRCJFGJTRP-GFCCVEGCSA-N 293.432 3.577 0 40 CHAB CC[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 10091445 FPRLCNWMSGHZPU-NEPJUHHUSA-N 284.403 3.821 0 40 CHAB OCCn1ccnc1-c1ccc(SC2CCCCC2)o1 67434520 OPNFHSIUCRRKNF-UHFFFAOYSA-N 292.404 3.560 0 40 CHAB Cc1ccc(-c2c(CN3CC3)c(N)nc3ccccc23)cc1 20506708 AVXXMMXUNQRFDE-UHFFFAOYSA-N 289.382 3.608 0 40 CHAB CCOC(=O)[C@@H]1Nc2ccc(Cl)cc2[C@H]2CCC[C@H]21 104292655 XDXFRRBUKGOJKG-MISXGVKJSA-N 279.767 3.581 0 40 CHAB COc1ccc([C@H](NCC2CC2)c2ccccc2)cc1 36961300 JWZLBXNZCVKEAH-GOSISDBHSA-N 267.372 3.784 0 40 CHAB CSc1ccc(C)c(C(=O)NCCc2ccccc2)c1 12850100 CXSNJDALAOAVBQ-UHFFFAOYSA-N 285.412 3.689 0 40 CHAB CCOc1ccc([C@H](C)NC(=O)c2cccs2)cc1 13329302 GRUZSQGZTRTCEQ-NSHDSACASA-N 275.373 3.638 0 40 CHAB Cc1noc2nc(-c3ccco3)cc(C(F)F)c12 20605124 VIINMMLMSOXLCA-UHFFFAOYSA-N 250.204 3.729 0 40 CHAB Cc1ccc(CC(=O)NC[C@H](C)c2ccccc2)cc1C 23722231 WSIVIZRTJNYSOU-INIZCTEOSA-N 281.399 3.766 0 40 CHAB CCCOc1cccc([C@H](C)NC(=O)N[C@@H](C)CC)c1 13745939 KBAIEACSPFXPMH-STQMWFEESA-N 278.396 3.634 0 40 CHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1F 5234384 GHAKMVICACLEOS-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Clc1ccc(CSC2=N[C@H]3CCCC[C@@H]3N2)cc1 6584824 XIOLXLZPIDJCEY-STQMWFEESA-N 280.824 3.844 0 40 CHAB CC(C)(C)c1ccc(O)c(C(=O)c2cccs2)c1 83139168 WEFYXYOBGLXBTK-UHFFFAOYSA-N 260.358 3.982 0 40 CHAB O=C1C/C(=C\c2ccccc2C(F)(F)F)N2CCC1CC2 5764076 HKCOQCXWKZTBRT-UKTHLTGXSA-N 295.304 3.731 0 40 CHAB C[C@@H](Nc1cccc(Cl)c1)C(=O)NCC1CCCCC1 8272838 BQLDYQVUSSVSAA-GFCCVEGCSA-N 294.826 3.837 0 40 CHAB O=C(c1cc(-c2ccccc2)on1)N1CCc2ccccc21 21840228 NYOSRUVDUCDYJO-UHFFFAOYSA-N 290.322 3.545 0 40 CHAB CCC(CC)N[C@H]1CCCN(c2ccccc2Cl)C1=O 95961296 LRELLXZEHWTZKP-AWEZNQCLSA-N 294.826 3.614 0 40 CHAB CC(C)CNc1ccc([C@@H]2CCCN2C(C)C)cn1 72213313 DWVMLWIUNZSFFZ-HNNXBMFYSA-N 261.413 3.695 0 40 CHAB Cc1ccccc1NC(=S)C(=O)c1ccccc1 7042343 INHPSHHGDWPFFR-UHFFFAOYSA-N 255.342 3.617 0 40 CHAB biogenic c1ccc(COc2cccc([C@H]3NCCS3)c2)cc1 35505008 SDHXREBBMPUELS-INIZCTEOSA-N 271.385 3.601 0 40 CHAB O=C1c2cc(Cl)ccc2[C@H]2OCc3ccccc3N12 35326817 UXTCEVSSWPKKBR-OAHLLOKOSA-N 271.703 3.529 0 40 CHAB C[C@H](OC(=O)c1ccc2ccccc2n1)c1ccccn1 73532002 XLUXGGDICHYSRQ-LBPRGKRZSA-N 278.311 3.548 0 40 CHAB COc1cccc(-c2cc(Cl)nc(C(C)C)n2)c1 78401137 VIGVCKDGRATWRD-UHFFFAOYSA-N 262.740 3.929 0 40 CHAB COc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225637087 AIUJEEPHBOLOMB-YVEFUNNKSA-N 291.391 3.537 0 40 CHAB Fc1ccc(-c2nc(-c3cccc(Cl)c3)n[nH]2)cc1 40175830 VKDGMLUSNLFGPN-UHFFFAOYSA-N 273.698 3.931 0 40 CHAB CC[C@H](C)n1c(CCCN)nc2cc(Cl)ccc21 40408315 FRFYXETXTQLVLL-JTQLQIEISA-N 265.788 3.552 0 40 CHAB COc1cccc(OC)c1CCC(=O)Nc1ccccc1C 225993877 XTCMZSRHRARUNJ-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB COc1ccc(Cl)c2sc(C(=O)O)c(Cl)c12 228938357 PQWZVGDYPJEJII-UHFFFAOYSA-N 277.128 3.915 0 40 CHAB CC1CCN(c2ccc(Br)cc2F)CC1 95915676 PVDVJTNLNJDEOW-UHFFFAOYSA-N 272.161 3.825 0 40 CHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)[C@H]1CC=CCC1 575415591 FDJYYFCEVYDJSV-KBPBESRZSA-N 283.371 3.836 0 40 CHAB Cc1ccc(-c2ocnc2C(=O)Nc2nc(C)cs2)cc1 5001990 UKBGYGSRDAAVTN-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CC(=O)Cn1c(SCc2ccccc2)nc2ccccc21 5639250 UOFZGNOLVAKCJD-UHFFFAOYSA-N 296.395 3.918 0 40 CHAB Cc1cc(NC(=O)c2cccs2)n(Cc2ccccc2)n1 13701314 QRAIUWWXSDOLFK-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(F)cc1 3614470 OZQYGEDKORTRDY-BWODNOAJSA-N 269.319 3.716 0 40 CHAB CC(C)Cn1c(-c2ccc(N)cc2)nc2ccccc21 1470683 VQBAOGJJOSPROC-UHFFFAOYSA-N 265.360 3.942 0 40 CHAB C/C=C\c1cc(C(C)=O)c(O)c(CCC)c1NC(C)=O 33373973 VDLCTZOFNYFBLA-ALCCZGGFSA-N 275.348 3.539 0 40 CHAB O=C(CCCSc1ccc(F)cc1)Nc1nccs1 10218125 TTXHCRUWGMMTHM-UHFFFAOYSA-N 296.392 3.793 0 40 CHAB CC(C)(C)NC(=O)Nc1nc(-c2ccc(F)cc2)cs1 38550300 GOHZDELPWYCWPU-UHFFFAOYSA-N 293.367 3.869 0 40 CHAB O=c1cc(-c2ccccc2)ncn1Cc1ccccc1Cl 22604820 XQBZRZCCJRJZBQ-UHFFFAOYSA-N 296.757 3.612 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(F)c2)o1 40097599 OUJXIRYIAVRFAM-SECBINFHSA-N 280.274 3.749 0 40 CHAB Cc1cc(CNC(=O)NCCC2=CCCCC2)ccc1F 32862757 SLQPQASZXWTKQN-UHFFFAOYSA-N 290.382 3.824 0 40 CHAB CCN(CC)[C@@H](C)[C@@H](O)c1ccc2cccc3c2c1CC3 1592044 FXEIPEMCWVHOLS-ORAYPTAESA-N 283.415 3.702 0 40 CHAB CCO[C@H]1OCN(c2ccc(Cl)cc2)CC1(C)C 2030017 SVSZLMIGNYQRQX-ZDUSSCGKSA-N 269.772 3.523 0 40 CHAB Cc1ccc2[nH]c3c(NCCCOC(C)C)ncnc3c2c1 2417761 UNRDMMCSRZJHMZ-UHFFFAOYSA-N 298.390 3.647 0 40 CHAB CC1(C)COC(CCCC(=O)c2c(F)cccc2F)OC1 2518083 LDLPKGYXWSVUAD-UHFFFAOYSA-N 298.329 3.717 0 40 CHAB Fc1ccccc1-n1ncnc1/C=C/c1ccccc1 4001830 GOYGPKIGFAOMTJ-ZHACJKMWSA-N 265.291 3.577 0 40 CHAB CCOC(=O)[C@H](CNCc1ccccc1)C1CCCCC1 6403458 AJDXXPIOSIREGY-QGZVFWFLSA-N 289.419 3.536 0 40 CHAB COc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1 6793495 ORYRLLOEAVXECA-UHFFFAOYSA-N 295.382 3.715 0 40 CHAB CC(C)c1ncc(CN(C)[C@H](C)c2ccncc2)s1 97113696 JNMFABWGAJWBRV-GFCCVEGCSA-N 275.421 3.855 0 40 CHAB Cc1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cn1 47542155 LXWQHBHNWYPDQO-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB S=C(c1ccc(Cl)cc1)N1CCCCCC1 999737 DEVPEOPUYDLOEF-UHFFFAOYSA-N 253.798 3.892 0 40 CHAB CCCCN1COc2c(cc(Cl)c3cccnc23)C1 54387974 JZZXNEUUJCVTTA-UHFFFAOYSA-N 276.767 3.840 0 40 CHAB C[C@]1(C(=O)O)CC2c3ccccc3C1c1ccccc12 34143866 NRUFZVGNVQBKSX-HTWSVDAQSA-N 264.324 3.758 0 40 CHAB O=C(Nc1ccncc1)c1cc(-c2ccc(Cl)cc2)on1 12534656 PRFYLIKMSQTUOK-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CC[C@@H](CN)Sc1cc(Cl)ccc1Cl 43542452 IHAUJYFNOFHEBN-QMMMGPOBSA-N 250.194 3.823 0 40 CHAB in-vitro COc1cc(SC)ccc1C(=O)Oc1ccccc1C 3349352 DKGBZCSQZFTLQQ-UHFFFAOYSA-N 288.368 3.945 0 40 CHAB COC(=O)[C@H]1[C@H]2CC[C@H]3[C@H]2C(C)(C)CCC[C@@]31C 103978317 ZARSCFPHBAVOKJ-BLXSCJOCSA-N 250.382 3.648 0 40 CHAB Clc1nc2ccccc2nc1NCc1cccs1 2171286 BHUGEPWUQRCUDP-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB CC[C@@H](NC(=O)Cc1ccc(C)cc1)c1ccccc1 20041204 WPMGRXYISHOCOB-QGZVFWFLSA-N 267.372 3.805 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)NC1CCCCCC1 20037197 GNSIQBWLZCXNOM-MRXNPFEDSA-N 289.419 3.991 0 40 CHAB CCCC[C@@]1(CC)NC(=S)N(c2ccc(Cl)cc2)N1 2318966 UVTBNDSWARUNGE-AWEZNQCLSA-N 297.855 3.836 0 40 CHAB Cn1c(-c2cncc(C=O)c2)cc2ccc(Cl)cc21 45673176 FWGFOXHUSCTJAC-UHFFFAOYSA-N 270.719 3.706 0 40 CHAB CC[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccsc1 11438431 VQPSUFZWEQJEHC-OAHLLOKOSA-N 288.416 3.597 0 40 CHAB Cc1cccc(NC(=O)CCc2cccs2)c1C 13009643 WHFIWVQEOMDZRO-UHFFFAOYSA-N 259.374 3.936 0 40 CHAB C[C@@H](NC(=O)CSc1ccc2ccccc2c1)C1CC1 14183976 XLRNEYIEFLGPDT-GFCCVEGCSA-N 285.412 3.847 0 40 CHAB Cc1cc(C)c2cc3cc(C(=O)O)sc3nc2c1 19569414 BAIILRGRTJCAJV-UHFFFAOYSA-N 257.314 3.765 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)nc1 6790832 HYYNCWCZXCAAFR-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB Cc1cccc(NC(=O)COc2ccccc2C(C)C)n1 9367785 JFIXOXGGDQFETB-UHFFFAOYSA-N 284.359 3.531 0 40 CHAB Cc1ccc(C)c(NC(=O)N2CCc3ccccc3C2)c1 15941096 INZGNOVGLTWDNO-UHFFFAOYSA-N 280.371 3.894 0 40 CHAB Cc1cc(C(=O)NC2CCCCCC2)c(C)n1C1CC1 8133260 SNCINNXSNIUQEK-UHFFFAOYSA-N 274.408 3.892 0 40 CHAB CCOC(=O)c1cnc2c(C)cc(F)cc2c1Cl 19808120 BWLFRHZFOXGIPH-UHFFFAOYSA-N 267.687 3.512 0 40 CHAB in-vitro Cc1ccc([C@H](CN[C@@H]2CCCC2(C)C)N2CCCC2)o1 97016747 BZCOWCNZDBKBIR-DOTOQJQBSA-N 290.451 3.893 0 40 CHAB CC(=O)c1c(F)cccc1N[C@@H](C)C[C@@H](O)c1ccco1 95449458 PRQOVFUTSLGLHB-IINYFYTJSA-N 291.322 3.545 0 40 CHAB CCOC(=O)CC[C@@H](C(=O)c1ccccc1)c1ccccc1 3844235 PKHLVAWYYZWUCP-QGZVFWFLSA-N 296.366 3.996 0 40 CHAB biogenic COc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1F 32958151 CWDMLQRURJFTJI-UHFFFAOYSA-N 284.334 3.849 0 40 CHAB Cc1ccc(C(C)C)cc1OCCC1CCNCC1 38053075 QEIWFHONNOWPFR-UHFFFAOYSA-N 261.409 3.887 0 40 CHAB COc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72211689 IIQADJJBRGAKIV-KRWDZBQOSA-N 282.387 3.817 0 40 CHAB Cc1nc(N)ccc1[C@@H]1CCCCN1Cc1ccccc1 72218586 YHXULAKSYBDOCC-KRWDZBQOSA-N 281.403 3.699 0 40 CHAB CCN1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213949 QEGUSAHYFCDTME-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)OC(C)(C)C 72720693 PDHMKIYMYMZMFY-UHFFFAOYSA-N 296.314 3.529 0 40 CHAB CCCN1CCC[C@H]1c1ccc(N2CCCC2)nc1C 72218922 QSWQUQAZBFDLSP-INIZCTEOSA-N 273.424 3.537 0 40 CHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2)S1 222556135 VUDJCPYWPKCWPQ-KCXAZCMYSA-N 295.411 3.671 0 40 CHAB Cc1ccnc(N(CC2CC2)C(=O)OC(C)(C)C)c1 228967563 VMUSRCUHFXNLHP-UHFFFAOYSA-N 262.353 3.542 0 40 CHAB Cc1ccc(O[C@H](Cc2ccc(C)cc2C)C(=O)O)cc1 225025087 PRRUICFLXSHERZ-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1cscn1 81179277 LZCMNAXMKRTWKM-TZMCWYRMSA-N 280.437 3.503 0 40 CHAB CCCCOc1c(Br)cc(F)cc1C=O 225270845 KPLCULDRHKFTEQ-UHFFFAOYSA-N 275.117 3.580 0 40 CHAB Cc1cc(Br)cc(C)c1O[C@H]1CCCCO1 95095304 MXBGAOAPILJORB-LBPRGKRZSA-N 285.181 3.971 0 40 CHAB Cc1cccc(N2CCC[C@H](c3nc(C)cs3)C2)n1 97096564 PHOFYLZJHOYOPQ-ZDUSSCGKSA-N 273.405 3.539 0 40 CHAB CC[C@H](C)n1ccc(NCc2ccc(F)s2)n1 256050757 GJCDOHUFSKFSPF-VIFPVBQESA-N 253.346 3.667 0 40 CHAB COc1cccc(C(=O)c2cc(Cl)ccc2C)c1 95916569 WLCRBMAETQZBND-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB CC1CCN(c2cccc(Br)c2)CC1 95915513 CJJPCAXSEZDOPQ-UHFFFAOYSA-N 254.171 3.685 0 40 CHAB COc1ccc(C(=O)c2ccc(SC)cc2)c(OC)c1 95917262 HBAKYDSXXQHPAO-UHFFFAOYSA-N 288.368 3.657 0 40 CHAB Cc1ccc([C@@H](C)NCCCCn2ccnc2C)s1 95423162 GETACFBUBKZILI-CYBMUJFWSA-N 277.437 3.692 0 40 CHAB C[C@@H](Nc1ncnc2sccc12)[C@H]1C[C@H]2CC[C@H]1C2 102262708 RCRRNGYGLILANJ-MPPDQPJWSA-N 273.405 3.928 0 40 CHAB O=C(NCc1cc(-c2ccoc2)cs1)[C@@H]1CC=CCC1 1775970003 WYJHCGIDKIIRNN-GFCCVEGCSA-N 287.384 3.981 0 40 CHAB C[C@](Cc1ccccc1)(C(=O)O)c1ccccc1Cl 11732575 WGJHNXVSXDHEPO-MRXNPFEDSA-N 274.747 3.925 0 40 CHAB Cc1ccc(CC(=O)NCCC2=CCCCC2)cc1C 13677405 DIQSRRCIPIYISW-UHFFFAOYSA-N 271.404 3.853 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc(F)cc1 13838916 YVSCQVCOHKWRJD-LLVKDONJSA-N 286.375 3.974 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)Nc1ccccc1F 16608848 XDWHRGRCPUGLTA-PHIMTYICSA-N 250.317 3.621 0 40 CHAB C/C=C\C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5328850 JATGGLRROLZEEQ-IHWYPQMZSA-N 263.646 3.873 0 40 CHAB O=C(c1ccco1)N(C(=O)N1CCCCC1)c1ccccc1 1651722 FUOJVSYVIQYHJP-UHFFFAOYSA-N 298.342 3.532 0 40 CHAB CCc1ccc(/C=C/c2nc3ccccc3[nH]c2=O)cc1 4170470 MGYGKTIGXRMKMW-VAWYXSNFSA-N 276.339 3.656 0 40 CHAB c1ccc(-c2cc(-c3nnc(-c4ccccc4)o3)[nH]n2)cc1 9244167 PGXNYBOMZJMIJA-UHFFFAOYSA-N 288.310 3.794 0 40 CHAB COc1ccc(Cl)c(C(=O)COc2ccccc2)c1 575242759 HCBCKEWQMZFDLT-UHFFFAOYSA-N 276.719 3.610 0 40 CHAB CNc1cccc(NC(=O)Nc2ccc(C)c(C)c2)c1 84656724 JWPALNMGAOUJGS-UHFFFAOYSA-N 269.348 3.989 0 40 CHAB CC(C)NC(=O)CC(c1ccccc1)c1ccccc1 30150 LORYSXLRLZFJOE-UHFFFAOYSA-N 267.372 3.733 0 40 CHAB Cc1ccc(O)c(-c2cc(C(F)(F)C(F)F)on2)c1 306412 YUGMLNSNEIRVBP-UHFFFAOYSA-N 275.201 3.713 0 40 CHAB C[C@H](NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1 32611041 CHCISKGVZUZBGB-NSHDSACASA-N 297.383 3.629 0 40 CHAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 1589783 NQBTWEFKQQCACE-PBOHRMBMSA-N 264.324 3.614 0 40 CHAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2)c1 6402645 DKXRECGWTLBTET-UHFFFAOYSA-N 281.355 3.905 0 40 CHAB Cc1nc(-c2ccccc2)nc2c1[C@H]1[C@H](C2)C1(C)C 103985702 VVZNGIWLPQQXHU-SWLSCSKDSA-N 250.345 3.748 0 40 CHAB C[C@H]1Oc2c(C(=O)NCC3CCCCC3)cccc2[C@H]1C 23076296 XOVLRDGJKCZKTL-QWHCGFSZSA-N 287.403 3.881 0 40 CHAB O=C(OCc1ccccn1)c1ccc2c3c(cccc13)CC2 23038434 WBSBXROPQCPLRR-UHFFFAOYSA-N 289.334 3.690 0 40 CHAB S=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100999050 ZNJGUXPWGCZBSS-BREBYQMCSA-N 280.824 3.815 0 40 CHAB c1ccc(-c2nnc(NC3CCCCC3)s2)cc1 24052550 UTEXEQQCJABCIT-UHFFFAOYSA-N 259.378 3.950 0 40 CHAB CN(Cc1cccs1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105699345 WYFOSPJVXPSNBP-AVGNSLFASA-N 263.406 3.533 0 40 CHAB Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)C1CC1 11205644 CILNYRLKRALLNG-LJQANCHMSA-N 295.382 3.641 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)NCCC2=CCCCC2)c1 12859820 IBOYOKKNQRIFGZ-HNNXBMFYSA-N 287.403 3.769 0 40 CHAB O=C(c1ccc(CN2CC=CC2)cc1)C1CCCCC1 2514929 MSEGRTQUBQQLQU-UHFFFAOYSA-N 269.388 3.821 0 40 CHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1F 3430725 JYOGKQDLGNCLRX-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c(C)o1 12931586 SUXMKMYFCMWORK-NEPJUHHUSA-N 289.297 3.747 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 12919580 CXKDGIHQXYZRLQ-PXAZEXFGSA-N 299.345 3.999 0 40 CHAB O=C(c1ccnc(Cl)c1)N1CCC2(CCCC2)CC1 62955875 CICLFKGNOIGALZ-UHFFFAOYSA-N 278.783 3.531 0 40 CHAB O=C(Nc1ccncc1)c1cc2c(F)cccc2s1 8779678 RJNPLDCOYDSSRR-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(F)cc1 4702604 GRIJSIGBIADQKM-UHFFFAOYSA-N 282.318 3.728 0 40 CHAB COc1cc(NC(=O)Cc2ccc(C)c(C)c2)cc(OC)c1 5681751 XVTNRDYFGBYYOD-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Cc1cnc(C(=O)Nc2ccccc2-c2cccs2)cn1 14704881 BQDKGHMRSRWCDB-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB COc1ccc(NC(=O)[C@@H](C)Nc2cc(C)ccc2C)cc1 7460166 BBWPGIPOVMBNHG-CQSZACIVSA-N 298.386 3.751 0 40 CHAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccn1 9497554 ZGSVYXDBMYCTIW-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB C[C@H](NC(=O)c1ccoc1)c1ccc2c(c1)CCCC2 9256203 FDUHTLODMAXASG-LBPRGKRZSA-N 269.344 3.649 0 40 CHAB c1coc(-c2nnc(SCc3nc4ccccc4o3)o2)c1 8392377 NQMYDZRAXAMNGX-UHFFFAOYSA-N 299.311 3.763 0 40 CHAB C[C@H](NC(=O)c1ccco1)c1cc2ccccc2o1 9497557 PEPYMTIRSGDSER-JTQLQIEISA-N 255.273 3.517 0 40 CHAB COc1ccc(F)cc1CS[C@@H](C)c1nnc(C)o1 71862836 PBHBCKXGKJRGQA-QMMMGPOBSA-N 282.340 3.520 0 40 CHAB Cc1cccc(Cn2ccc(NC(=O)c3cccs3)n2)c1 28247091 BVJGNDMDEGQTDW-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB CCc1noc([C@H](C)Sc2ncc(C(C)(C)C)o2)n1 95416502 ZZHBEQPEAFYCTA-QMMMGPOBSA-N 281.381 3.771 0 40 CHAB CC(C)c1ccc([C@@H](C)CC(=O)NCc2ccc[nH]2)cc1 74127091 RALNSUQSIZGDOU-AWEZNQCLSA-N 284.403 3.948 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1nccs1 95950840 RIEXZIDIPYLFCO-RYUDHWBXSA-N 289.404 3.573 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(N2CCCC2)nc1C 72218926 YDVNFHVQAPIRFL-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB COc1ccc([C@H]2CCCCCN2C(=O)C2CCC2)cc1 32823480 NNESTAUKJICXJM-QGZVFWFLSA-N 287.403 3.939 0 40 CHAB Cc1cncc([C@@H]2CCCCN2C(=O)c2ccccc2)c1 72211376 OKUDZPIITOVGRP-KRWDZBQOSA-N 280.371 3.757 0 40 CHAB Cc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72211287 UUGWLOVLIBPQGF-QGZVFWFLSA-N 296.370 3.864 0 40 CHAB Cc1cccc(CNC(=O)c2ccc(OC(C)C)cc2)c1 31107540 PPOSBJOHYDZGEL-UHFFFAOYSA-N 283.371 3.712 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccncc1 72211051 XSHSRKVGVXUKPR-CYBMUJFWSA-N 262.353 3.544 0 40 CHAB COc1cccc(-c2cccc([C@@H]3CCCN(C)C3)n2)c1 72348558 INNQXLRLCGSBCD-OAHLLOKOSA-N 282.387 3.566 0 40 CHAB CC1(NC(=S)Nc2ccc(F)c(F)c2)CCCCC1 225860902 NBQXGEMGJRBLQE-UHFFFAOYSA-N 284.375 3.974 0 40 CHAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCCC1 223734321 LUAMZGBBDNVASD-UHFFFAOYSA-N 289.419 3.669 0 40 CHAB Cc1occc1SCCCCn1ccnc1C 131475110 DPMCMQOXBGCOMC-UHFFFAOYSA-N 250.367 3.665 0 40 CHAB CCCCc1ccc(Nc2ccc(N)cc2C(=O)NC)cc1 225493243 XBKJGARTCXOVOG-UHFFFAOYSA-N 297.402 3.715 0 40 CHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)cc1 225617153 SDPGSBICGTUDRJ-MRXNPFEDSA-N 279.380 3.619 0 40 CHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)cc1 225691382 PVCXNZKHKIDIHW-MRXNPFEDSA-N 279.380 3.619 0 40 CHAB CCOc1ccccc1OCCCOc1ccccc1 96946486 DOBQLEXGJNCNCH-UHFFFAOYSA-N 272.344 3.933 0 40 CHAB CN(C)c1ccc2nc(-c3cc(N)ccc3Cl)[nH]c2c1 96029305 IHDTUEUIHXVSTF-UHFFFAOYSA-N 286.766 3.532 0 40 CHAB Clc1cc(Cl)nc(NC2CCCCCC2)n1 256049933 BZQLHQWSMBFPFM-UHFFFAOYSA-N 260.168 3.918 0 40 CHAB Cc1nn(C2CCCC2)cc1CNCc1ccc(F)s1 256054965 YNPWJKJABAQTLU-UHFFFAOYSA-N 293.411 3.797 0 40 CHAB Cc1cc(F)cc(C(=O)c2c(F)cccc2F)c1 89064256 PRAIRHFJOSMHGK-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CSc1cccc(C(=O)COc2ccccc2)c1 95917249 SUHPKQLZKQEENF-UHFFFAOYSA-N 258.342 3.670 0 40 CHAB Cc1cc(F)ccc1C(=O)c1c(F)cc(F)cc1F 95917004 LHXHWBJUORDWSU-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB FC(F)c1ccc2cccc(Br)c2n1 575628830 BJQGVVFOHXOZPD-UHFFFAOYSA-N 258.065 3.935 0 40 CHAB CC(C)Cc1c(O)nc2c(Br)cccc2c1O 685937216 NNSRJVZVZIXVDK-UHFFFAOYSA-N 296.164 3.607 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 5569842 KHRSAXBMJLFWDF-OPQQBVKSSA-N 294.192 3.824 0 40 CHAB CCOC(=O)[C@H]1Nc2ccc(Cl)cc2[C@H]2CCC[C@@H]12 5810596 XDXFRRBUKGOJKG-WDMOLILDSA-N 279.767 3.581 0 40 CHAB CCC[C@@H]1C(=O)C[C@H](c2ccco2)N[C@H]1c1ccco1 13468210 LFJPCHSRZIMWGY-XHBSWPGZSA-N 273.332 3.634 0 40 CHAB Fc1ccc(-c2nc(/C=C/c3ccncn3)cs2)cc1 157360440 KPBQDRVWFMRAPY-AATRIKPKSA-N 283.331 3.910 0 40 CHAB Cc1ccc(NC(=O)C(C)C)cc1-c1ccc(C(=O)O)o1 226352415 TUAMAGGANBVHTO-UHFFFAOYSA-N 287.315 3.548 0 40 CHAB COc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775970575 HAHUDPZNNMYSLF-HOTGVXAUSA-N 297.398 3.943 0 40 CHAB O=C(CCc1ccsc1)NC1(c2ccccc2)CCC1 40012717 NQDCHUBGQJYIOP-UHFFFAOYSA-N 285.412 3.876 0 40 CHAB Cc1ccc(OCCCCNC(=O)C[C@@H]2C=CCC2)cc1 40122466 MSJXTJOCJHIAIX-MRXNPFEDSA-N 287.403 3.627 0 40 CHAB CC[C@H]1[C@@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 88240 OKNRTYWYWMOJGO-ZSYWTGECSA-N 281.399 3.849 0 40 CHAB Clc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1 239731 WTJBFLDUSUCDMV-UHFFFAOYSA-N 290.754 3.774 0 40 CHAB c1cncc(-c2nnc(SCC3CCCCC3)o2)c1 411364 ZBPRSRUUBGRFMQ-UHFFFAOYSA-N 275.377 3.804 0 40 CHAB Cc1ccc(CC(=O)NCCSc2ccc(C)cc2)cc1 3105109 KWDZXQDZPRCRHP-UHFFFAOYSA-N 299.439 3.754 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 3607851 FCYQVNAXNNRNIE-LBPRGKRZSA-N 273.307 3.540 0 40 CHAB CC1=C[C@H](C)C2(COC(c3ccco3)OC2)[C@@H](C)C1 517869 HDOZYLVTCNXYDZ-VRLRAXNCSA-N 262.349 3.934 0 40 CHAB biogenic Fc1ccc(-c2ccc(NCc3ccccc3)nn2)cc1 4968262 WYYIYQVGVGCILW-UHFFFAOYSA-N 279.318 3.895 0 40 CHAB Cc1ccc(NC(=S)N2CCCC[C@@H]2C)cc1C 6488071 APIGQZGGHSLGGA-ZDUSSCGKSA-N 262.422 3.875 0 40 CHAB CCN(C(C)=O)[C@@H](c1ccccc1)c1ccc(F)cc1 71883011 NIPUUYINUDAJHI-KRWDZBQOSA-N 271.335 3.784 0 40 CHAB FC(F)(F)Oc1ccc(-c2n[nH]cc2Cl)cc1 42415084 XNMSPIQCWXYFAA-UHFFFAOYSA-N 262.618 3.629 0 40 CHAB CCCCCC(=O)Nc1ccc(C(=O)OCCC)cc1 3155854 FZLOBAQOCCSNIJ-UHFFFAOYSA-N 277.364 3.772 0 40 CHAB biogenic Cc1ccc(C)c(NC(=O)CCn2cnc3ccccc32)c1 12546180 YQCFAKUHTXZOBH-UHFFFAOYSA-N 293.370 3.682 0 40 CHAB Cc1ccc(OCCCC(=O)N(C)C2CCCC2)cc1 53643429 VURHMWBXGQAZGA-UHFFFAOYSA-N 275.392 3.555 0 40 CHAB Cc1cccc(CNC(=O)c2cc(C)c(C)s2)c1 26019100 OHOOSAKEUDHMDF-UHFFFAOYSA-N 259.374 3.603 0 40 CHAB C[C@@]12C[C@@H]3C[C@@](CO)(C1)C[C@@](c1ccccc1)(C3)C2 100318092 VXVYHNLYSSEXRR-VDHUWJSZSA-N 256.389 3.907 0 40 CHAB Fc1cc(F)c2nc(NCc3ccccn3)sc2c1 26422464 VPUBVACACVXXFB-UHFFFAOYSA-N 277.299 3.582 0 40 CHAB CC1(C)O[C@@H]2[C@H]3CC[C@@](C)(C3)[C@]2(c2ccccc2)O1 104117152 QJXLKANVPCEITL-JSQNDZKTSA-N 258.361 3.853 0 40 CHAB Cc1nc(/C=C/C(=O)N(C)[C@H]2CCc3ccccc32)cs1 27826238 SDUZSMNLNNGGGB-DZZUKKPASA-N 298.411 3.611 0 40 CHAB Cc1cc(NC(=O)[C@H]2CC=CCC2)n(Cc2ccccc2)n1 12849137 MSSPQXXQULBLGV-INIZCTEOSA-N 295.386 3.535 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc2ccccc2n1 3432299 XMSTXNHNLLBORT-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB COc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 3548219 MLJNXKPTUZHJOG-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB CSc1ccc(Cl)c(C(=O)Nc2ccncc2)c1 13113425 TVSZGZSSRGUOBK-UHFFFAOYSA-N 278.764 3.709 0 40 CHAB c1cnc2c(CSC3=N[C@H]4CCCC[C@@H]4N3)cccc2c1 8935657 HMSGAMFZHSIYBJ-GJZGRUSLSA-N 297.427 3.738 0 40 CHAB Cc1cc(C)cc(NC(=O)CCC(=O)c2cccs2)c1 8980344 GRHMVMWCSRAOED-UHFFFAOYSA-N 287.384 3.967 0 40 CHAB CSc1nccc(Sc2nc3ccccc3s2)n1 5527690 KIKFGBYLZXXCRI-UHFFFAOYSA-N 291.426 3.959 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 4711061 ZCAFLKUJZUZMIA-UKPHBRMFSA-N 298.430 3.891 0 40 CHAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CCCO1 5936829 YNZMOLYFIVMUIT-MRXNPFEDSA-N 282.343 3.548 0 40 CHAB COc1ccc(CNCc2cccc(OC(C)C)c2)cc1 19737655 JIDKNSYALTVJGU-UHFFFAOYSA-N 285.387 3.772 0 40 CHAB O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1F 8343363 FELOALWQFXBQHZ-UHFFFAOYSA-N 297.333 3.671 0 40 CHAB Cc1nc(SCC(=O)c2ccc(Cl)cc2)oc1C 8332957 DDEWXOCHSYMRPL-UHFFFAOYSA-N 281.764 3.920 0 40 CHAB CCC(=O)NC(=S)Nc1ccc2c(c1)oc1ccccc12 70461131 MYEQNMLRGKXUJE-UHFFFAOYSA-N 298.367 3.809 0 40 CHAB O=C(Nc1nccs1)[C@H]1C[C@@H]1c1ccccc1Cl 9953191 UYIIIKBKGKWAPX-ZJUUUORDSA-N 278.764 3.539 0 40 CHAB CCOC(CCCCCCO[C@H]1CCCCO1)OCC 43503334 ADXHPTGEFWYKBY-MRXNPFEDSA-N 288.428 3.879 0 40 CHAB Cc1cccc(COc2cc(O)c(C(=O)O)cc2Cl)c1 216933042 NVSDSNLWLITSCE-UHFFFAOYSA-N 292.718 3.631 0 40 CHAB CC[C@H](C)Oc1cccc([C@H](C)NCCCOC)c1 225167074 BSSLLKWLYFGZDA-KBPBESRZSA-N 265.397 3.551 0 40 CHAB Cc1ccc(C)c(C(=O)NCCCc2ccc(F)cc2)c1 225540570 JAFJKIGKQMFSOB-UHFFFAOYSA-N 285.362 3.805 0 40 CHAB Cc1cccc([C@@H](O)CN[C@H]2CCCNc3ccccc32)c1 193027413 URJHURDWQYJVKV-OALUTQOASA-N 296.414 3.565 0 40 CHAB Cc1cc(NC2CCCCC2)nc(-c2cccc(N)c2)n1 226103337 RPGCVZFTTZZABU-UHFFFAOYSA-N 282.391 3.779 0 40 CHAB O=C(NCC1CCCCC1)c1ccc(Cl)cc1 223370972 NCWZSQHTXROYSV-UHFFFAOYSA-N 251.757 3.650 0 40 CHAB O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccsc1 89807637 NJOKZLGXGFTFCX-UHFFFAOYSA-N 293.298 3.814 0 40 CHAB Fc1c(Br)ccc(OC(F)(F)Cl)c1F 95215639 UCVVKIRKVHNFTD-UHFFFAOYSA-N 293.441 3.895 0 40 CHAB c1ccc2c(c1)nc(C1CCCC1)n2C[C@H]1CCCNC1 96510518 JWFPIALVSZDWTA-AWEZNQCLSA-N 283.419 3.694 0 40 CHAB O=C(O)c1ccnc(/C=C/c2cnc(C3CCC3)s2)c1 340590010 HTNHJFNWZNMIOM-SNAWJCMRSA-N 286.356 3.674 0 40 CHAB O=C(O)C(F)(F)Sc1cc(Cl)cc(Cl)c1 256054579 WWMPTKMTUAEMRC-UHFFFAOYSA-N 273.087 3.763 0 40 CHAB O=C(c1ccccc1OC(F)(F)C(F)F)C1CC1 575360884 OJYWMBIKVIJMHA-UHFFFAOYSA-N 262.202 3.516 0 40 CHAB O=C(O)Cc1cnc(-c2c(Cl)cccc2Cl)s1 12243758 PFUMLEODFOERDV-UHFFFAOYSA-N 288.155 3.744 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 17916244 LYNVSQUXOQKTFX-CYBMUJFWSA-N 271.335 3.934 0 40 CHAB CCN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O 5552342 GNMRZYHNAAZQEK-UVTDQMKNSA-N 283.352 3.896 0 40 CHAB O=C(/C=C/c1nc2ccccc2s1)N1CCCCCC1 3285120 PCQHZNNHFKREMQ-MDZDMXLPSA-N 286.400 3.712 0 40 CHAB C[C@@H](NC(=O)c1ccncc1)c1ccc(Cl)cc1Cl 3336636 SQPSRRMJOMLBRF-SECBINFHSA-N 295.169 3.879 0 40 CHAB C[C@H](c1ccccc1)N1CCC[C@@H](COc2ccncc2)C1 1888860184 QTCZJRWRFVPTKF-IAGOWNOFSA-N 296.414 3.934 0 40 CHAB O=C(Nc1ccccc1SC(F)F)c1ccoc1 24465216 YJKNBQUQHAONQC-UHFFFAOYSA-N 269.272 3.847 0 40 CHAB Cc1ccc2oc(C(=O)Nc3ccccc3F)cc2n1 8793839 HETNYRKLRUELHN-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB CC[C@H](C)C(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732873 WDIIWGKYPDCGNY-JTQLQIEISA-N 295.404 3.627 0 40 CHAB O=C(Nc1ccccc1)c1cccc(C(F)(F)F)c1 128502 OEPQOSURCWPFOJ-UHFFFAOYSA-N 265.234 3.958 0 40 CHAB O=C1Nc2ccccc2N(O)N1c1ccc(Cl)cc1 184541 NNECCLGABCVYLY-UHFFFAOYSA-N 275.695 3.503 0 40 CHAB COc1cccc2c1O[C@@H]1c3ccccc3O[C@H]2[C@H]1C 246909 XIEVWUKEQUCDRJ-HNHYXYPQSA-N 268.312 3.899 0 40 CHAB biogenic CCOc1ccc(Cc2ccc3c(c2)OCO3)cc1C 1581568 MNLYGSGCHPUEQA-UHFFFAOYSA-N 270.328 3.713 0 40 CHAB CC1=C(C)OP(=O)(OP2(=O)OC(C)=C(C)O2)O1 1585762 NZXHMOAFTMHVGU-UHFFFAOYSA-N 282.125 3.816 0 40 CHAB CCCCCOC(=O)c1cc2ccccc2cc1O 1695526 LOSMFXCXOKGBJZ-UHFFFAOYSA-N 258.317 3.892 0 40 CHAB CC[C@@H](C)n1c(C(F)(F)F)nc2cc(N)ccc21 52842025 LSLNUBCKZZOIQB-SSDOTTSWSA-N 257.259 3.608 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 3849581 QGXBDMJGAMFCBF-GTTLQXADSA-N 290.447 3.959 0 40 CHAB CC[C@H](C)c1cc(Cl)ccc1O[C@@H]1CCCNC1 42775385 GHPIVTYDLTZREQ-WCQYABFASA-N 267.800 3.984 0 40 CHAB CS[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1cccs1 42849881 ZCHWGLKXTNHSNZ-FZMZJTMJSA-N 291.441 3.705 0 40 CHAB Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(C)n2)cc1 3293233 FMBYJURAMZMJQI-UHFFFAOYSA-N 293.374 3.640 0 40 CHAB O=C(OCCOc1ccccc1)c1ccc(Cl)cc1 1586578 SAHZFQPRCAGWRS-UHFFFAOYSA-N 276.719 3.576 0 40 CHAB CN[C@@H](C)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100386850 TYGZLRGXVVMQMY-KVDSNEOGSA-N 286.257 3.718 0 40 CHAB COc1cccc2cc([C@@H](C)NCc3cccc(O)c3)oc12 58169170 HGEAMNDMGQPFCJ-GFCCVEGCSA-N 297.354 3.998 0 40 CHAB O=C(O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 110068104 OROLZDXWXAWWKI-UHFFFAOYSA-N 295.342 3.616 0 40 CHAB NC(=O)c1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1 23339314 FHFOJIAIBLPKAR-UHFFFAOYSA-N 299.414 3.771 0 40 CHAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cccs1 12729646 KPRDIZQVKGOXAP-VIFPVBQESA-N 295.791 3.901 0 40 CHAB COc1ccccc1C(=O)N[C@@H](c1ccccc1)C1CC1 11201764 BGZKUENAEWSSIO-KRWDZBQOSA-N 281.355 3.576 0 40 CHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCCCCC1 20105151 OTGCUVALTHNHKS-HNNXBMFYSA-N 289.419 3.980 0 40 CHAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc(Cl)c1 17908529 CQVUAZBLDKMSQK-SNVBAGLBSA-N 299.761 3.707 0 40 CHAB Cc1noc(C)c1CC(=O)Nc1ccccc1C(C)(C)C 12994995 BVFRBKUXNYPJOH-UHFFFAOYSA-N 286.375 3.770 0 40 CHAB Cc1cc([C@H](C)NC(=O)Nc2cccnc2Cl)c(C)o1 49396082 QIDNJCANZMJDHP-VIFPVBQESA-N 293.754 3.828 0 40 CHAB CC[C@@H](C(=O)Nc1cc(F)ccc1O)c1ccccc1 72313294 FTIJXUJBKMKVPO-CYBMUJFWSA-N 273.307 3.664 0 40 CHAB CC(=O)Nc1ccccc1OCc1cccc(Cl)c1 5111839 AXVVQVNDRKPTOH-UHFFFAOYSA-N 275.735 3.877 0 40 CHAB CCN(C(=O)NCc1ccccc1)[C@H](C)c1cccc(O)c1 49999263 KIKKMWYNTUVAPI-CQSZACIVSA-N 298.386 3.685 0 40 CHAB O=C(Nc1ccc2ccccc2n1)c1ccc(F)cc1F 39976164 XCKCMXBXGJMLTR-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB Cn1c(NCc2cccc(Cl)c2)nc2ccccc21 6752524 PURLPPPIWWGPMX-UHFFFAOYSA-N 271.751 3.839 0 40 CHAB COc1cccc(CN(C)C(=O)Nc2cccc(C)c2)c1 9315909 YGGGVKMTDZGHKR-UHFFFAOYSA-N 284.359 3.668 0 40 CHAB CCc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1 8075940 IJMPWDAAASOMSE-UHFFFAOYSA-N 272.348 3.921 0 40 CHAB Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2ccccc2)s1 19927547 WAVLUZKYVMGPIR-ZWNOBZJWSA-N 290.413 3.619 0 40 CHAB C[C@H](Sc1nnc2ccccn12)c1ccc(F)cc1 9721976 FDKNLIGROFXKSL-JTQLQIEISA-N 273.336 3.722 0 40 CHAB O=C(NCc1ccc(F)cc1)N[C@@H](c1ccccc1)C1CC1 9878622 KLINLXRCGGTWRV-KRWDZBQOSA-N 298.361 3.776 0 40 CHAB C[C@@H](N[C@H]1c2ccccc2CCC1(C)C)c1nccn1C 97038235 NGZNXLOSGINMSB-CJNGLKHVSA-N 283.419 3.784 0 40 CHAB FC(F)COc1cc(Br)ccc1Cl 69758738 LVJCNBDCTSOZGC-UHFFFAOYSA-N 271.488 3.746 0 40 CHAB CC(C)(CNC(=O)CCc1ccccc1F)c1ccccc1 32817293 OBCQKFGHQKPKCU-UHFFFAOYSA-N 299.389 3.852 0 40 CHAB CCCc1ccc(-c2cc(C3(C(=O)O)CCC3)no2)cc1 72220604 TVNRUGZFQPTARE-UHFFFAOYSA-N 285.343 3.800 0 40 CHAB Cc1cc(OCCC2CCNCC2)ccc1Br 42770599 TXUYXUJDDBQSKN-UHFFFAOYSA-N 298.224 3.526 0 40 CHAB CCCCNCc1cccn1[C@@H](C)c1ccccc1 223691169 XRNDRWKQYDDWST-HNNXBMFYSA-N 256.393 3.987 0 40 CHAB CCOC(=O)/C(Cl)=C/c1cccc2ccccc12 85396903 STVUIFBTZUFHBN-UVTDQMKNSA-N 260.720 3.983 0 40 CHAB CCCCNCc1ccn([C@@H](C)c2ccccc2)c1 223694674 ZHGNGKWOZWWSPC-HNNXBMFYSA-N 256.393 3.987 0 40 CHAB C[C@H]1CC[C@@H]1COc1ccccc1Br 96526368 LZCBTBCGABMWER-VHSXEESVSA-N 255.155 3.874 0 40 CHAB O=C1CC[C@H]1c1ccccc1OCc1ccccc1 96179494 SORBOBSHBZJACT-AWEZNQCLSA-N 252.313 3.712 0 40 CHAB Fc1cc(N2CCCCC2)ccc1Br 95915890 KIZCOBGHVYXPHP-UHFFFAOYSA-N 258.134 3.579 0 40 CHAB Cc1cc(N(C)C)ccc1Nc1nccc(C(F)(F)F)n1 52242698 FKZWESZJGRGJLQ-UHFFFAOYSA-N 296.296 3.613 0 40 CHAB CC(=O)OC[C@]12COC3(CCCC3)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 5529047 DNFFPEBVRBASNE-DIECFANBSA-N 292.419 3.727 0 40 CHAB COc1ccc(/C=C/c2nc3ccccc3o2)cc1O 12755182 ABIDBFDDBUIAPK-VQHVLOKHSA-N 267.284 3.712 0 40 CHAB c1ccc(CC[C@@H](Cc2cccnc2)c2ccccn2)nc1 12943113 FHTSHKPFNXANBB-KRWDZBQOSA-N 289.382 3.831 0 40 CHAB CN(C(=O)c1ccc(F)cc1)c1ccc(N2CCCC2)cc1 13647345 IKNDCGAHADIGIR-UHFFFAOYSA-N 298.361 3.703 0 40 CHAB CCOc1ccc([C@H]2CC(=O)c3ccccc3N2)cc1 169972095 FDIKYDATAGHAEO-MRXNPFEDSA-N 267.328 3.825 0 40 CHAB CCOC(=O)[C@@H]1CC[C@@H]2Nc3c(Cl)cccc3[C@H]2C1 12859752 ILKXXVKIHTZAIS-XWIASGKRSA-N 279.767 3.581 0 40 CHAB C[C@]12C=C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 584577541 RZFGPAMUAXASRE-FMKNUBLKSA-N 290.447 3.527 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 8714219 WWGIBUOCPUZTGM-NWDGAFQWSA-N 283.799 3.721 0 40 CHAB CN(Cc1coc(-c2cccs2)n1)Cc1ccco1 32751470 PQRQDVAVHWNTHJ-UHFFFAOYSA-N 274.345 3.628 0 40 CHAB CSc1ccccc1NC(=O)[C@H]1CC(=O)c2ccccc21 38488479 GSWLMYDXVVIWMG-ZDUSSCGKSA-N 297.379 3.717 0 40 CHAB Cc1cc(N)nc(Nc2ccc(Nc3ccccc3)cc2)n1 75156688 UNLMCXXCEGETOH-UHFFFAOYSA-N 291.358 3.854 0 40 CHAB CCCN(CCC)c1nc(C)nc2c1sc(=S)n2C 117933 HYYPWUARBWMDRH-UHFFFAOYSA-N 296.465 3.694 0 40 CHAB CO[C@@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 20149803 KEEBMZSFKIZDEV-AUUYWEPGSA-N 295.382 3.809 0 40 CHAB O=C(c1cc(Cl)ccc1F)N1CCC[C@@H]1c1ccc[nH]1 40433551 SXAXFEUOQMLQOA-CQSZACIVSA-N 292.741 3.785 0 40 CHAB C[C@@]12CC3CC(NCc4cccnc4)(C1)C[C@@](C)(C3)C2 101001729 YIVMSNQMFCYNQE-SAGYGOJTSA-N 270.420 3.920 0 40 CHAB O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1c1ccncc1 29790051 NSJYLKGBAUUDDZ-AWEZNQCLSA-N 298.411 3.609 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CC[C@H]1C3=NN[C@@H]1c1ccco1 211661 LPRZUORTNAVOLN-WBMJQRKESA-N 291.354 3.680 0 40 CHAB COc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1 32913607 MXTKOQIFIWPYOZ-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB CC/C=C/C(=O)NC1c2ccccc2Oc2ccccc21 1865391 RLUOWBLOOBHQCD-KGVSQERTSA-N 279.339 3.964 0 40 CHAB O[C@]12CCCC[C@H]1[C@]1(O)CCCC[C@H]1C1(CCCCC1)O2 4005909 GATCEJCAKDSFNO-LAQRGFTBSA-N 294.435 3.520 0 40 CHAB Cc1cc(C)nc(NC(=O)Nc2cccc3ccccc23)n1 6826174 FXIIHQXZJRFWIT-UHFFFAOYSA-N 292.342 3.891 0 40 CHAB CCN1C=C(c2csc(C)n2)[C@H](c2ccccc2)NC1=O 12323463 NFDVUUIMJUSTKA-HNNXBMFYSA-N 299.399 3.579 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc[nH]c1=S 8269032 ONSCQYPAFGXNGW-CQSZACIVSA-N 284.384 3.552 0 40 CHAB CC(C)Oc1ccc(Cn2c(=O)sc3ccccc32)cc1 814289 VPKBEVUEBCFSBU-UHFFFAOYSA-N 299.395 3.899 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc(Cl)c(Cl)c1 23977105 WPYGIYYKMJVDMB-OYNCUSHFSA-N 272.175 3.827 0 40 CHAB CN(C)c1ccc(NC(=O)CCCc2cccs2)cc1 12607632 INSUGLPMGXKHDH-UHFFFAOYSA-N 288.416 3.776 0 40 CHAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2)cc1 22520646 KYXAEKQNSCIXCE-HNRFISLBSA-N 295.382 3.976 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc(C)s2)c(C)n1 58160312 SEYSCPZDSYCIQM-UHFFFAOYSA-N 260.362 3.629 0 40 CHAB Cc1nc(/C=C/C(=O)Nc2cc(F)ccc2C)cs1 10642235 JKPGBWSAWZDSHW-AATRIKPKSA-N 276.336 3.551 0 40 CHAB Cc1ccc(NC(=O)Nc2nc3ccccc3n2C)c(C)c1 27923919 DYNQWKSJKKVDQO-UHFFFAOYSA-N 294.358 3.834 0 40 CHAB Cc1ccc(C(=O)CCCCC(=O)O)cc1Br 2518011 GDSZAEHWDVNMOC-UHFFFAOYSA-N 299.164 3.585 0 40 CHAB c1ccc2sc(CSc3nnc4ccccn34)nc2c1 3496173 BZMDONWKBPDNAY-UHFFFAOYSA-N 298.396 3.631 0 40 CHAB CC(C)(C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 12915942 TWPHAZLFSQXLFL-UHFFFAOYSA-N 286.375 3.580 0 40 CHAB Cc1ccccc1NC(=O)CCSCc1ccco1 39427611 UHZXANZQSHUYSF-UHFFFAOYSA-N 275.373 3.850 0 40 CHAB Fc1nc(F)c(Cl)c(NCc2cccnc2)c1Cl 13734319 UBTLOYPOMGYJDS-UHFFFAOYSA-N 290.100 3.674 0 40 CHAB O=C(Nc1ccccc1O)c1ccc2c3c(cccc13)CC2 22279395 SGXRFMJCYKMNQW-UHFFFAOYSA-N 289.334 3.896 0 40 CHAB O=C(OCc1cccc(Cl)c1)c1n[nH]c2ccccc12 4824407 GRKCCHRLXRWRSL-UHFFFAOYSA-N 286.718 3.573 0 40 CHAB C[C@]12CCCC[C@@H]1C[C@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)CCC[C@@H]12 118935549 TUAKQCBZMOACQA-SQRJSLLPSA-N 292.463 3.751 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1 7036585 IPSPXQHAKDFMFR-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C1CC1 9503244 UPYSJJVLLWSZNT-CQSZACIVSA-N 275.348 3.503 0 40 CHAB O=C(N[C@H](c1nc(C2CC2)cs1)C1CC1)c1ccccc1 95962226 BGTVVTOVJZEHEF-HNNXBMFYSA-N 298.411 3.902 0 40 CHAB Cc1ccc(C(=S)NCc2ccccc2C)cc1 408572608 HJTPYYWGUZICBD-UHFFFAOYSA-N 255.386 3.769 0 40 CHAB COc1ccc(F)cc1C(=O)c1cccc(Cl)c1 36944271 IYDZDUMEWAUUER-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB OC(F)(F)[C@](F)(c1ccc(Cl)cc1)C(F)(F)F 71609842 FXUSJRWPZMRZNJ-ZETCQYMHSA-N 278.579 3.652 0 40 CHAB Cc1csc(CN(C)Cc2ccc3nc(C)ccc3c2)n1 187267348 SKQPXUPZBWDAEY-UHFFFAOYSA-N 297.427 3.940 0 40 CHAB C[C@H](CNC1CCCCCCC1)C(=O)OC(C)(C)C 47219151 PHXWVWIKWISESL-CYBMUJFWSA-N 269.429 3.667 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223147597 LUIBHLWVMZFEJG-CYBMUJFWSA-N 295.382 3.675 0 40 CHAB O=C(O)c1ccccc1-c1nc2ccc(F)cc2s1 45923241 ILKZBAMTIJJUBX-UHFFFAOYSA-N 273.288 3.801 0 40 CHAB Clc1cc([C@H]2CCCN2)ccc1Br 84199321 AUCPUFDMCZEBQK-SNVBAGLBSA-N 260.562 3.527 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2cc(N)cc(C(F)(F)F)c2)C1 228931096 GQRLSFLSFVWEEN-NXEZZACHSA-N 272.314 3.770 0 40 CHAB Cc1ccccc1Nc1ccc(N)cc1C(=O)N1CCCC1 225462856 KCPBBCIRYINFKG-UHFFFAOYSA-N 295.386 3.557 0 40 CHAB Cc1cc(C)cc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)c1 225037459 ZEBOJAWORVCSOJ-GOSISDBHSA-N 298.382 3.995 0 40 CHAB Cc1ccc(C(=O)c2cccc(C(F)(F)F)c2)cn1 45029058 HWDDLWREUHHCJJ-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB CCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 80461515 NELSPFIULOTYEV-ZDUSSCGKSA-N 268.360 3.726 0 40 CHAB COc1ccc(NC(=S)NCCC(C)C)cc1Cl 225379706 PDNDHGUSLMESPQ-UHFFFAOYSA-N 286.828 3.681 0 40 CHAB Cc1cccc(C(C)(C)NC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 96412114 RGDLWTDNZWBZFF-IAGOWNOFSA-N 294.398 3.545 0 40 CHAB CC[C@H](C(=O)OC)N1c2ccccc2[C@H](C)CC1(C)C 260624760 UPYAGBPDYXVJCD-TZMCWYRMSA-N 275.392 3.730 0 40 CHAB COc1ccc(C(=O)c2cc(Cl)ccc2C)cc1 95916564 BPBCRXJAXPIPTG-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB Cc1noc(C)c1[C@@H](C)CNc1nc2ccc(F)cc2o1 892952832 KJANLIJKGYXXAW-QMMMGPOBSA-N 289.310 3.787 0 40 CHAB c1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1 5410518 LBGOFHYKRZHFRX-UHFFFAOYSA-N 299.443 3.722 0 40 CHAB CCNC(=S)c1nc2ccccc2nc1-c1ccccc1 16681755 DOXBPVFMFQCCBQ-UHFFFAOYSA-N 293.395 3.582 0 40 CHAB Cc1ccc(Nc2ncc3c(n2)C[C@H](C)CC3=O)c(C)c1 17206356 PYWBRBTZZZJXCF-NSHDSACASA-N 281.359 3.602 0 40 CHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(F)cc2)cc1 7304199 LRKUREPPZVWLMD-YQJFHSMKSA-N 299.345 3.725 0 40 CHAB CCOC(=O)[C@H](Oc1ccc(Cl)cc1C)C(F)(F)F 261828311 KDJFXAASMSJEGP-JTQLQIEISA-N 296.672 3.521 0 40 CHAB Cc1cc(C(=O)N(C)c2nc3ccccc3s2)c(C)o1 13011728 PKHAEBUERASSHM-UHFFFAOYSA-N 286.356 3.783 0 40 CHAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1848996723 AWADWWLYLBPACA-GJZGRUSLSA-N 286.375 3.539 0 40 CHAB O=C1CCc2ccc(OCc3ccccc3F)cc21 35598460 AOKZLIBZUHHMSQ-UHFFFAOYSA-N 256.276 3.534 0 40 CHAB C[C@@H]1Cc2ccccc2[C@@H](CCc2ccccc2)N1 3208768 GWHXMUJKGXTFTL-RDTXWAMCSA-N 251.373 3.895 0 40 CHAB biogenic CC[C@@](C)(O)/C=C1/Oc2ccccc2[C@H]1N1CCCCC1 4653775 CAERQMOSJKWWFL-PGSVNHOBSA-N 287.403 3.651 0 40 CHAB Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 50227596 CXYYFBAVWMTNBT-UHFFFAOYSA-N 264.781 3.847 0 40 CHAB in-vitro O=C(Cc1cccs1)Nc1nc2ccccc2s1 117390 QNJUFBLXCPQTHI-UHFFFAOYSA-N 274.370 3.539 0 40 CHAB Cc1cc(S[C@H](C)C(=O)NC(C)C)nc2ccccc12 21259337 RAQWRJHIBQHUPV-GFCCVEGCSA-N 288.416 3.548 0 40 CHAB O=C(O)c1cccnc1Nc1cccc(Cl)c1Cl 1282 IFMIBXMJNXNGHQ-UHFFFAOYSA-N 283.114 3.830 0 40 CHAB in-man C1=CO[C@]2(N3CCN(c4ccccc4)CC3)CCCC[C@@H]2C1 1706586 CYUSZIDJYHFRGG-IEBWSBKVSA-N 298.430 3.629 0 40 CHAB Cc1ccc(CNC(=S)Nc2cccc(C)c2)cc1 7560257 IVFXCSSRVLQDOF-UHFFFAOYSA-N 270.401 3.790 0 40 CHAB CCSc1nc(N)c2c3c(sc2n1)CCC[C@@H]3C 520099 HUXJIRRJTPCWPP-ZETCQYMHSA-N 279.434 3.825 0 40 CHAB CCc1ccc(O[C@@H](C)C(=O)Nc2cc(N)ccc2C)cc1 19736122 JQRNBNSLDNLMCM-ZDUSSCGKSA-N 298.386 3.546 0 40 CHAB O=C(N[C@@H](c1ccccc1)c1ccco1)[C@@H]1C[C@H]2C=C[C@H]1C2 104200131 KUNKXRPNZWMCTE-SCNOPHJPSA-N 293.366 3.697 0 40 CHAB Fc1ccccc1-c1noc(-c2cc(-c3ccco3)[nH]n2)n1 12415131 MEPSLKKTFTWLTH-UHFFFAOYSA-N 296.261 3.526 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2F)c1C 23673360 CUACCYYUQWCKQA-UHFFFAOYSA-N 288.322 3.534 0 40 CHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCCCCCC1 26537886 XBFWMUKQJNPJGT-CYBMUJFWSA-N 293.382 3.822 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(-c2cnco2)c1 48205090 PTKAGJZMCRSMCM-GFCCVEGCSA-N 268.316 3.636 0 40 CHAB Cc1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2C)c2ccccc2)cc1 10213159 RNPPWNQPHOBLCG-BMGDILEWSA-N 279.383 3.857 0 40 CHAB COc1ccc(NC(=O)c2cccc(Cl)c2)cc1OC 2181308 TYUPOTXFKVSASP-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB CC1=C[C@@H](C)[C@H](CN2CCO[C@@H]2C(C)C)[C@@H](C)C1 61854987 ZINAYKAEPVIUEM-FXUDXRNXSA-N 251.414 3.539 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccccc1CN1CC=CC1 2515889 FLEXZJGZLMQTNG-UHFFFAOYSA-N 297.785 3.943 0 40 CHAB Nc1ccccc1SCCSc1ccccc1N 2577673 BSYVFGQQLJNJJG-UHFFFAOYSA-N 276.430 3.735 0 40 CHAB Cc1nc(-c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)co1 12905619 QKMKWVQATMWTDZ-CYBMUJFWSA-N 282.343 3.945 0 40 CHAB Brc1ccc(NCc2ccoc2)cc1 63046632 DXFIGMQORAOHCE-UHFFFAOYSA-N 252.111 3.654 0 40 CHAB C[C@@H](CCc1ccccc1)NCCc1ccccc1 13718407 WVNDASDBEDZRQL-INIZCTEOSA-N 253.389 3.840 0 40 CHAB Cc1noc(C)c1C(=O)N[C@H](C)c1cc2ccccc2o1 14021102 AJTLVLOOTWXXCX-SECBINFHSA-N 284.315 3.529 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1c[nH]c2ccccc12 14095711 NUGLXHJJCUFEHB-CYBMUJFWSA-N 290.366 3.688 0 40 CHAB CCCCCC1=NO[C@@H](c2ccc(C(=O)O)cc2)C1 4687204 OGUFPKADGZKILR-CQSZACIVSA-N 261.321 3.783 0 40 CHAB CC[C@H](NC(=O)c1cccs1)c1nc2ccccc2[nH]1 6659875 MJZGXKHPCDJPFB-JTQLQIEISA-N 285.372 3.506 0 40 CHAB COc1ccccc1NC(=O)/C=C/c1ccccc1C 8937634 PEDLWEIFPVITTC-VAWYXSNFSA-N 267.328 3.656 0 40 CHAB Cc1[nH]c2ccc(C(=O)N3CCCCCC3)cc2c1C 7007421 IRMVSZMVNSJNSU-UHFFFAOYSA-N 270.376 3.801 0 40 CHAB O=C1CSC2(CCCCC2)N1c1cccc(F)c1 16399151 WKFOASUSHMUBIB-UHFFFAOYSA-N 265.353 3.566 0 40 CHAB COc1ccc(C(=O)Nc2ccc(SC)cc2)cc1 8023521 SOAOUCLWXBZYLY-UHFFFAOYSA-N 273.357 3.669 0 40 CHAB Cc1nc(C)c(C(=O)N2CCC3(CCCC3)CC2)s1 96414619 AWCSHXXLSMXXQH-UHFFFAOYSA-N 278.421 3.556 0 40 CHAB CCC1=Nc2ccccc2NC(N)=C1c1cccs1 20635383 BDQYZFASVLABRS-UHFFFAOYSA-N 269.373 3.984 0 40 CHAB CCN(c1ncnc2ccsc12)C1CCCCC1 71873519 JAENIXOCJQFVLG-UHFFFAOYSA-N 261.394 3.850 0 40 CHAB Fc1cc(F)c(OC(Cl)(Cl)Cl)c(F)c1 95215615 AADUTWYYFAPYGW-UHFFFAOYSA-N 265.445 3.810 0 40 CHAB C[C@H](CCc1ccco1)NC1CCN(C2CCCC2)CC1 95419376 HRFRTUBDRSAARM-OAHLLOKOSA-N 290.451 3.597 0 40 CHAB Nc1ccccc1-c1cccc(OC(F)(F)F)c1 61703071 BNZJJYIVRPSYPU-UHFFFAOYSA-N 253.223 3.834 0 40 CHAB COc1cc(C)cc2c(Nc3cccc(N)c3)ccnc12 64875395 UCJQUOWSFJGYIE-UHFFFAOYSA-N 279.343 3.878 0 40 CHAB CC(=O)c1c(-c2ccc(O)cc2)oc2cc(O)ccc12 1736195 PMGWXIYBUNWUGY-UHFFFAOYSA-N 268.268 3.714 0 40 CHAB biogenic,in-vitro CCCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 409327690 WFHWFEPANGOKMC-DEKJKZHBSA-N 273.357 3.689 0 40 CHAB O=C(COCc1ccccc1)c1ccc(F)cc1Cl 310017390 OVVGKJGYDKTYTP-UHFFFAOYSA-N 278.710 3.879 0 40 CHAB CCN1CCCC[C@@H]1c1ccc(NCC(C)C)nc1 72213330 VSZXZKKBEVPYOD-OAHLLOKOSA-N 261.413 3.696 0 40 CHAB Cc1cccc(C(=O)Oc2c(C)cc(C=O)cc2C)c1 216727250 AQDHYJXNNBHOLS-UHFFFAOYSA-N 268.312 3.644 0 40 CHAB CCOP(=O)(OCC)[C@@H](C)C(=O)c1ccccc1 34057024 YVVBYGFBDSRAFA-NSHDSACASA-N 270.265 3.524 0 40 CHAB CCc1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1 70461300 NPWFPZQDKJSMLH-UHFFFAOYSA-N 290.326 3.638 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2ccc3ccccc3n2)s1 32845384 RNUYWTVKVXLUSD-UHFFFAOYSA-N 296.351 3.751 0 40 CHAB O=C(c1ccccc1)c1ccc(N2CCCCCC2)nc1 72225467 SXCDTTIDHWRIEV-UHFFFAOYSA-N 280.371 3.693 0 40 CHAB O=C(c1ccc(Cl)nc1)c1cccc(Cl)c1 45038715 XTEHBOZQORDTAQ-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB Cc1ccc([C@H](C)NC(=S)Nc2cccnc2)cc1C 225708774 QWABFKXUEARIEG-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB Cc1cccc(O[C@@H](Cc2c(C)cccc2C)C(=O)O)c1 225030443 WSXLICPWJJOJKI-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 225645134 VSYOGSUWBGMDKY-QGZVFWFLSA-N 291.391 3.536 0 40 CHAB COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1F 44844711 MBGPLIQLCYHIFM-UHFFFAOYSA-N 278.258 3.617 0 40 CHAB COc1ccc(Cl)cc1C(=O)NCC1=CCCCC1 225040367 CFSWNSGGXANICH-UHFFFAOYSA-N 279.767 3.579 0 40 CHAB Cc1nnc(CN[C@@H](Cc2ccccc2)c2cccs2)o1 97373863 PFFZVOPRMQAWQT-AWEZNQCLSA-N 299.399 3.513 0 40 CHAB O=C(O)c1cc(Cl)cc(Cl)c1C(F)(F)F 96171664 PMCGMDADUWNMML-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB COC(=O)[C@@H](C)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260622035 QMNIFENPPOABHJ-CHWSQXEVSA-N 275.392 3.649 0 40 CHAB COc1cccc(F)c1C(=O)c1cccc(C)c1C 89064232 WNEZWDIRZGNSRE-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB O=C(c1ccc(F)cc1C(F)(F)F)C(F)(F)Cl 382642745 QKHLGAGIPXQBHL-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB CC(C)(C)c1ncc(NC(=O)c2ccc(Cl)s2)cn1 63819506 UTSGSFJFHCUCNY-UHFFFAOYSA-N 295.795 3.741 0 40 CHAB O=C(c1ccccc1C(F)(F)F)N1CCC2(CCC2)C1 79102100 GKLBDRREKYNQPR-UHFFFAOYSA-N 283.293 3.722 0 40 CHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H]1Cc1ccccc1 107329370 CEVSGPCWLBCVDY-WNRNVDISSA-N 283.415 3.656 0 40 CHAB CCCCOC(=O)Nc1sc(C)c(C)c1C(=O)OCC 1770694 JBWFBZGOEJKWAP-UHFFFAOYSA-N 299.392 3.890 0 40 CHAB FC1(F)CCN(c2nc3cc(Cl)ccc3o2)CC1 1889109974 HHJFEBLPOSUBDI-UHFFFAOYSA-N 272.682 3.717 0 40 CHAB CCOC(=O)c1cc(Cl)c(OCC)c(Cl)c1 15020933 SYAONARMDDWWPI-UHFFFAOYSA-N 263.120 3.569 0 40 CHAB CCC(=O)N(Cc1ccccc1)Cc1ccccc1 5916094 CTIYZFCOYKGRKC-UHFFFAOYSA-N 253.345 3.625 0 40 CHAB Fc1ccc(/C=C\c2cnnc3ccccc23)cc1 17324627 GZALKQIQPOLMAF-YVMONPNESA-N 250.276 3.939 0 40 CHAB CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 14421451 ZCWIJISZUNIRPB-ZDUSSCGKSA-N 287.359 3.547 0 40 CHAB O=C(CCc1ccco1)Nc1cccc2c1CCCC2 15315586 JIJCFWXIUNTRNF-UHFFFAOYSA-N 269.344 3.730 0 40 CHAB COc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3)c1 1239520489 JOTNXSFLHBBIRK-UHFFFAOYSA-N 295.382 3.836 0 40 CHAB CC(=O)N(Cc1ccco1)c1nc2c(F)cccc2s1 10527667 ROZIRRJQRSXJIA-UHFFFAOYSA-N 290.319 3.582 0 40 CHAB CC(C)(C)c1ccc(-c2nnnn2-c2ccc(F)cc2)cc1 338114 QASLZTXHBLNRRB-UHFFFAOYSA-N 296.349 3.766 0 40 CHAB Cc1ccccc1NC(=O)CSc1nc2ccccc2o1 181632 NJLFVQIUXZMLMJ-UHFFFAOYSA-N 298.367 3.867 0 40 CHAB Cc1cc2nc(Cc3ccc(F)cc3)[nH]c2cc1C 31943812 MOIFPKTZBCCZNJ-UHFFFAOYSA-N 254.308 3.910 0 40 CHAB CCC(C)(C)C(=O)Nc1nnc(C2CCCCC2)s1 380315 RZLNXUADWASFAK-UHFFFAOYSA-N 281.425 3.961 0 40 CHAB O=C(Cc1ccc2ccccc2c1)Oc1ccccc1 343763 XELMFXOLCGLVGV-UHFFFAOYSA-N 262.308 3.988 0 40 CHAB Cc1cccc(NC(=S)NC(=O)c2ccc(C)cc2C)c1 570455 FPPDCEKGMGABFO-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB Cc1cnc(NC(=O)c2sc(C(C)C)nc2C)s1 32924093 DZBNMUVETCPBQI-UHFFFAOYSA-N 281.406 3.592 0 40 CHAB O=C(Nc1ccc(F)cc1)c1ccc2cc[nH]c2c1 32924450 ZJFOBCGREDHYCL-UHFFFAOYSA-N 254.264 3.559 0 40 CHAB CCN(C(=O)C1CC1)c1nc(-c2ccc(C)cc2)cs1 932652 FSURJRJLUXDRRW-UHFFFAOYSA-N 286.400 3.881 0 40 CHAB COc1cccc2c1O[C@@H](C)N1N=C(c3ccccc3)C[C@H]21 102767368 RDVAKRDQKQGPIM-BLLLJJGKSA-N 294.354 3.585 0 40 CHAB CCCC[C@H]1CC1(Br)Br 1679942 MNKZKQIKLRLXOW-LURJTMIESA-N 255.981 3.683 0 40 CHAB OC(CNC1CCCCC1)(c1ccccc1)c1ccccc1 1843022 NNKPHUWXTHIMLW-UHFFFAOYSA-N 295.426 3.845 0 40 CHAB O=C(CSc1cccc(Cl)c1)c1ccc(O)cc1O 54185842 VZZQDUORMHZAGM-UHFFFAOYSA-N 294.759 3.726 0 40 CHAB O=C(Nc1ccc(Cl)cc1)C1[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 100755778 PVCPOUAXDFRYDJ-PNZRWIHMSA-N 261.752 3.571 0 40 CHAB CC(C)CC(=O)NCC[C@H](c1ccccc1)c1ccco1 2134521 PVCSGVQIZWAYMV-MRXNPFEDSA-N 285.387 3.964 0 40 CHAB biogenic Cc1ccc(NC(=O)Nc2c(C)nn(C)c2C)cc1Cl 11008773 KZJQKEDMCKUPGV-UHFFFAOYSA-N 292.770 3.643 0 40 CHAB Cc1cn2nc(N[C@@H]3CCCc4ccccc43)sc2n1 45723706 GROPOIKRVSLZPA-CYBMUJFWSA-N 284.388 3.589 0 40 CHAB Fc1cccc(Cl)c1CSc1nnc2ccccn12 3505611 GUDZEAGDEUWWJC-UHFFFAOYSA-N 293.754 3.814 0 40 CHAB Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 12994166 WKRGVNRUPUDBSX-SFHVURJKSA-N 294.398 3.946 0 40 CHAB COC(=O)N1[C@@](C)(c2ccccc2)[C@@]1(C)c1ccccc1 13511066 QKCNSZNKPRWTSQ-DFNIBXOVSA-N 281.355 3.899 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl 5062715 IRHXSRDJGIHAHB-YGRLFVJLSA-N 283.774 3.717 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)c1cccs1 14095809 YVLAWFHTKIPSIW-LLVKDONJSA-N 275.398 3.715 0 40 CHAB CCn1c(S)nnc1COc1ccc2ccccc2c1C 4739040 HNYDLTQVLNIVHI-UHFFFAOYSA-N 299.399 3.627 0 40 CHAB C1CCCN(C2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 4703445 XCZBNZIWHQGJOM-LZLYRXPVSA-N 276.468 3.515 0 40 CHAB O=C(OC1CCCC1)c1cccn1Cc1cccs1 66520115 HFSIIXJXHCZZOJ-UHFFFAOYSA-N 275.373 3.697 0 40 CHAB CC(C)c1ccccc1NS(=O)(=O)c1cccc(F)c1 7056161 PIXMDWOTSZORAZ-UHFFFAOYSA-N 293.363 3.750 0 40 CHAB CCOc1ncccc1-c1cccc(-c2noc(C)n2)c1 67490723 CLUURGQHCAVPOX-UHFFFAOYSA-N 281.315 3.506 0 40 CHAB COc1ccc(CNc2ncnc3cccc(C)c23)cc1 80762294 KLBPZNJLANOOBR-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB Cc1c(N)cccc1NC(=O)c1cccc(OCC(C)C)c1 19736756 UUQVTRAYEKPJQB-UHFFFAOYSA-N 298.386 3.864 0 40 CHAB O=C(Nc1nccc(-c2ccccc2)n1)C1CCCCC1 9579657 LIXDTGMNZLCQLL-UHFFFAOYSA-N 281.359 3.662 0 40 CHAB NCc1ccc(-c2ccc(Br)cc2Cl)o1 37392562 YGMAVTXWKJLZEW-UHFFFAOYSA-N 286.556 3.821 0 40 CHAB Cc1ccc(N(C)C(=O)NC(=S)c2ccccc2)cc1C 408730758 HQLDOGVSMQTDKF-UHFFFAOYSA-N 298.411 3.825 0 40 CHAB CSc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1 32907486 JLCLQAVAPRCFOZ-MRXNPFEDSA-N 298.411 3.781 0 40 CHAB CCCn1c(C)c(CNC)c2cc(OC(C)C)ccc21 223759316 NCWBOMVUKUWTDZ-UHFFFAOYSA-N 274.408 3.866 0 40 CHAB CCOc1ccc(NC(=O)CN(CC)c2ccccc2)cc1 40160608 LJLCVMBGCCBFRA-UHFFFAOYSA-N 298.386 3.550 0 40 CHAB Clc1ccc(-c2[nH]ncc2Br)s1 84629777 UHOYZXGNZJFRFX-UHFFFAOYSA-N 263.547 3.554 0 40 CHAB O=C(O)c1cccc(-c2ccccc2)c1Br 85471756 RLUHROKRNKSIJY-UHFFFAOYSA-N 277.117 3.814 0 40 CHAB CC[C@@H](C)Oc1c(C)cc(-c2noc([C@@H](C)N)n2)cc1C 95095352 HIWLJFGIBQNAPU-VXGBXAGGSA-N 289.379 3.550 0 40 CHAB O=C(O)c1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21 247400688 NICOKRPJPBMVCX-QHSBEEBCSA-N 297.398 3.986 0 40 CHAB Cc1cc(C)cc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260659289 VHZJCFMKDCXUGC-YDHLFZDLSA-N 274.433 3.778 0 40 CHAB Cc1ccccc1NC(=O)COc1c(C)cccc1C 361905 UJOUJHUODDGHSL-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB COc1ccccc1Oc1c(Cl)ncnc1Cl 34746312 UDJSKOBLGUNZNB-UHFFFAOYSA-N 271.103 3.584 0 40 CHAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 20345131 LGNSADAPSRXZOC-RUDMXATFSA-N 286.762 3.883 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1ccc2ncsc2c1 2629728 VGMYCQZYSISUQU-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB Cc1cn(C)c([C@@H]2CCCN2Cc2ccc3[nH]ccc3c2)n1 1848352201 CPZOJDIKAIOAGF-KRWDZBQOSA-N 294.402 3.547 0 40 CHAB CCCc1cccc2nc(-c3ccc(F)cc3)c(N)n12 4625452 VMQPDXBIANRQBD-UHFFFAOYSA-N 269.323 3.675 0 40 CHAB Cc1ccc([C@@H](C)N(C)C(=O)/C=C/c2ccncc2)cc1 40080538 MATOJYSFVNKFPB-RZIFZGNASA-N 280.371 3.623 0 40 CHAB Cc1ccc(CNC(=O)CCCc2cccs2)s1 40122215 UDDZEJAHCYSVKN-UHFFFAOYSA-N 279.430 3.757 0 40 CHAB Brc1cccc(N2Cc3ccccc3C2)c1 173359 HIEWWKYPWCITTF-UHFFFAOYSA-N 274.161 3.969 0 40 CHAB O=C(N[C@H](c1cccs1)C1CCCC1)c1cccnc1 32398365 YDCYSXZISLXKTQ-HNNXBMFYSA-N 286.400 3.804 0 40 CHAB O=C1OC(c2ccccc2)=N[C@]12C[C@H]2c1ccc(Cl)cc1 356609 ASJFWVSQCXWGOU-YOEHRIQHSA-N 297.741 3.570 0 40 CHAB CC(C)c1n[nH]c(Cc2ccc3ccccc3c2)n1 41160975 IMKFWJRQMXBMBF-UHFFFAOYSA-N 251.333 3.672 0 40 CHAB Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)c(F)c1 32888166 XUOCQKCTXRYYGN-UHFFFAOYSA-N 286.262 3.634 0 40 CHAB COCCNc1nc(-c2ccc(Cl)cc2)c(C)s1 2630868 NRUMMRDLTWFJCX-UHFFFAOYSA-N 282.796 3.830 0 40 CHAB COc1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)O)cc(C)c2c1 1595926 KIIOLKMSTZNPFU-KGLIPLIRSA-N 299.370 3.910 0 40 CHAB Cc1nn(-c2ccccc2)c(SCc2ccco2)c1C=O 3011402 MHRBTOMRWSZVBL-UHFFFAOYSA-N 298.367 3.879 0 40 CHAB Cc1ccc(NCc2nnc3n2CCCCC3)cc1Cl 4518210 BLXWYMVNDUBDDF-UHFFFAOYSA-N 290.798 3.578 0 40 CHAB COc1ccc(-c2cc(C(F)(F)C(F)F)on2)cc1 6457830 ZANQXFCPLIAWOM-UHFFFAOYSA-N 275.201 3.707 0 40 CHAB COc1ccc(N2C(=O)CSC23CCC(C)CC3)cc1 6732473 JQNMJQDKTYSTPX-UHFFFAOYSA-N 291.416 3.681 0 40 CHAB CCOC(=O)c1ccc(OCc2ccccc2F)cc1 105572080 ITXQIEZWKUYGIS-UHFFFAOYSA-N 274.291 3.581 0 40 CHAB CCc1ccccc1NC(=O)c1cc(Br)c[nH]1 24060413 ZKVTXPXBFIRRAM-UHFFFAOYSA-N 293.164 3.592 0 40 CHAB Nc1nc2c([C@H](O)c3ccccc3)cc(Cl)cc2s1 57327680 ABMQQFQWOWDKEJ-CYBMUJFWSA-N 290.775 3.614 0 40 CHAB Fc1ccc(-c2n[nH]cc2CNCc2ccccc2F)cc1 12529346 QEBADEFARPUPLX-UHFFFAOYSA-N 299.324 3.645 0 40 CHAB CC(C)c1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1 12520569 HSLMSSUAUKDQQV-UHFFFAOYSA-N 279.343 3.939 0 40 CHAB Cc1ccc2[nH]c(C)c(CC(=O)NCc3cccs3)c2c1 28999462 WHEPHOMWWDYCGU-UHFFFAOYSA-N 298.411 3.705 0 40 CHAB Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 27027222 XWNHTRAOTDHLOM-OAHLLOKOSA-N 294.383 3.602 0 40 CHAB CCN[C@H]1CCSc2ccc(Br)cc21 35762872 RPXFUNFOAAVJPC-JTQLQIEISA-N 272.211 3.596 0 40 CHAB in-vitro O=[S@](Cc1ccc(Cl)cc1)Cc1cccc(F)c1 58131024 XATNYWZVMUGYAH-SFHVURJKSA-N 282.767 3.928 0 40 CHAB CSc1ccccc1NC(=O)c1ccc(C(C)=O)s1 12778471 WZUSPAKUSKWKIP-UHFFFAOYSA-N 291.397 3.925 0 40 CHAB CCOc1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 54971784 KPHHIKZKAGKNGZ-YWPYICTPSA-N 290.432 3.560 0 40 CHAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(C)cc2)cc1 22529352 BABPBKIFKVJVKG-INIZCTEOSA-N 297.398 3.729 0 40 CHAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1ccoc1 12852878 LIUMBDQZTSSAEC-HNNXBMFYSA-N 283.352 3.861 0 40 CHAB Cc1ccc2[nH]c(SCc3nc(C)c(C)o3)nc2c1 48987215 OOOMDEHSAMDTNU-UHFFFAOYSA-N 273.361 3.768 0 40 CHAB Cc1nc2c(C)cccc2c(O)c1CN1CCC[C@H](C)C1 8911507 TXRBYAROTFFCQP-LBPRGKRZSA-N 284.403 3.789 0 40 CHAB O=C(O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 49786158 ZQEJOLXAIUSMHU-UHFFFAOYSA-N 286.114 3.666 0 40 CHAB CC(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)cc1 5379012 MWINWGQRSUMWFP-UHFFFAOYSA-N 289.718 3.518 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cc(=O)c2ccccc2o1 6811444 XGLHRJROVVCWAR-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB CC(C)(C)c1ccc(C(=O)N=c2[nH]c3ccccc3[nH]2)cc1 6883040 GUJKJYDDCKTWFO-UHFFFAOYSA-N 293.370 3.535 0 40 CHAB CCN(Cc1ncc(-c2cccs2)o1)CC(F)(F)F 71900549 QFHOFNGCQKVUEP-UHFFFAOYSA-N 290.310 3.787 0 40 CHAB CC[C@H](SCc1nnc(C)n1C)c1ccc(F)cc1F 91030152 KWOOSENMYWNCPI-ZDUSSCGKSA-N 297.374 3.786 0 40 CHAB Cc1sc(NC(=O)[C@H]2C[C@H]2C)nc1-c1ccc(F)cc1 9452974 OQZRIJMNZRTWAE-PELKAZGASA-N 290.363 3.852 0 40 CHAB CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)s1 72312793 KSXGGUAXENRCPP-IUCAKERBSA-N 289.853 3.806 0 40 CHAB C[C@@H](CC(=O)N(Cc1ccccn1)C1CC1)c1ccccc1 72781637 KBXXOSAMFAEFJA-HNNXBMFYSA-N 294.398 3.766 0 40 CHAB C[C@H](CC(=O)N(Cc1cccnc1)C1CC1)c1ccccc1 72747834 LBLHLQOYWLQGPR-OAHLLOKOSA-N 294.398 3.766 0 40 CHAB C[C@H](c1cccnc1)N(C)C(=O)Nc1ccccc1Cl 68372557 QIXDVFQLWNOHJL-LLVKDONJSA-N 289.766 3.960 0 40 CHAB COc1ccc(/C=C(/C(=O)NC2CC2)c2ccccc2)cc1 408906579 HTAKQXQMXYYKTE-QGOAFFKASA-N 293.366 3.514 0 40 CHAB CN1CCCC[C@H]1c1cccnc1Nc1ccccc1 72214153 QFGZUVMZLOAUSK-INIZCTEOSA-N 267.376 3.982 0 40 CHAB O=C(O)c1cc(OCC(F)(F)F)c2ccsc2c1 72228339 JYRNLQPXWVNNEN-UHFFFAOYSA-N 276.235 3.541 0 40 CHAB Cc1oc2ccccc2c1C(=O)NC1CCCCC1 74745586 SCLQAGUVLMCVIE-UHFFFAOYSA-N 257.333 3.804 0 40 CHAB Cc1ccc(C(=O)c2c(Cl)cccc2Cl)nc1 45028573 UKYPPSQXHBGUQM-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 224414285 ZYYZAIZGZYJTDE-HOTGVXAUSA-N 297.398 3.682 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(F)cc2F)c(C)c1 223778470 MYVDLNKULVHYLG-UHFFFAOYSA-N 275.298 3.763 0 40 CHAB Cc1ccc(C)c(CC(=O)NC(C)(C)Cc2ccccc2)c1 224676639 WZBKVEIINXXNRS-UHFFFAOYSA-N 295.426 3.983 0 40 CHAB CC1CC(COc2ccccc2Br)C1 85390934 FIHFGEKFMAOYOU-UHFFFAOYSA-N 255.155 3.874 0 40 CHAB Cc1cccc2c1N([C@@H](C)C(=O)O)C(C)(C)C[C@H]2C 260616308 IKOPQAWXKOTQHL-NEPJUHHUSA-N 261.365 3.560 0 40 CHAB COc1cccc(F)c1C(=O)c1ccc(F)c(C)c1 89064295 WPHWMBZNNYJYEZ-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB O=C(OCCCC(F)(F)C(F)(F)F)c1ccccc1 1083809874 ZDPPHRVAZUKXHI-UHFFFAOYSA-N 282.208 3.821 0 40 CHAB COC(=O)[C@H](C/C=C(\C)c1ccc(Cl)cc1)C(C)=O 5810058 VAKUUPTXOJWYOT-LZTOIUFZSA-N 280.751 3.512 0 40 CHAB Cc1ccnc(NC(=O)COc2ccc3ccccc3c2)c1 5394661 RLHGEJCYQLDZJL-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB Nc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1 19772007 OFUGVRLEEDSIJT-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB Fc1ccc(F)c(-c2csc(NC[C@@H]3CCCO3)n2)c1 9364158 SEJHPQAAJUNQCV-JTQLQIEISA-N 296.342 3.679 0 40 CHAB O=C(/C=C\c1ccccc1)Oc1cccc2cccnc12 13556554 MGYIGSPQIHQSAA-QXMHVHEDSA-N 275.307 3.854 0 40 CHAB CCOC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 208046879 DATPJWJGGNPQCV-CYBMUJFWSA-N 299.823 3.977 0 40 CHAB O=Cc1ccc(Oc2ncccc2C(F)(F)F)cc1 20357645 TVMLSPSVNXNJMM-UHFFFAOYSA-N 267.206 3.705 0 40 CHAB Cc1cccc(NC(=O)[C@@]23CC[C@H](C2)C(C)(C)C3=O)c1C 100868061 XEPJQAGHALCPFL-ACJLOTCBSA-N 285.387 3.637 0 40 CHAB Cc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c(C)c1 32674590 NVQCQNOLXONATI-UHFFFAOYSA-N 296.370 3.711 0 40 CHAB Cc1cc(=O)oc2c(C)c3c(cc12)CCC(C)(C)O3 490887 LRGNGGCZBSYAGJ-UHFFFAOYSA-N 258.317 3.513 0 40 CHAB biogenic COc1cccc(COC(=O)Nc2ccccc2F)c1 2663401 YSFPKDSDXMLWQF-UHFFFAOYSA-N 275.279 3.583 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(C=O)cc2)C1 75907422 KRFAXZLBLMRERX-OAHLLOKOSA-N 289.375 3.614 0 40 CHAB CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 32999465 BGMVSNNNTGZTJF-UHFFFAOYSA-N 279.261 3.732 0 40 CHAB OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3 1646189 ZBXMCBFBKYQYGL-UHFFFAOYSA-N 290.406 3.551 0 40 CHAB S=C(S)NC1c2ccccc2-c2ccccc21 1733725 XOLKFQQRKSQGJP-UHFFFAOYSA-N 257.383 3.561 0 40 CHAB CCc1ccsc1C(=O)N(C)c1ccc2nc(C)[nH]c2c1 79096846 MZFKMJZUZCTCNI-UHFFFAOYSA-N 299.399 3.772 0 40 CHAB CC(=O)c1ccc(C(=O)OC(C)(C)C)c(Br)c1 2547894 BGVWWARXECEHKE-UHFFFAOYSA-N 299.164 3.607 0 40 CHAB CCCc1ccc(C(=O)CCCCCC(=O)O)cc1 2579944 IGLVWVRDAVSAMS-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB COc1ccc(C(=O)CSc2cccc(OC)c2)cc1 21986363 CXSKVBXJDSVPKS-UHFFFAOYSA-N 288.368 3.679 0 40 CHAB CCCCc1ccc(OC(=O)c2ccc(O)cc2)cc1 4616631 VSBALMOTLANTIW-UHFFFAOYSA-N 270.328 3.954 0 40 CHAB CC[C@@H](NC(=O)COc1cccc(C)c1)c1ccc(C)cc1 7792582 ZREOKXWJKCGPLZ-GOSISDBHSA-N 297.398 3.950 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 47473619 MDDRTAPTHJLGKR-UHFFFAOYSA-N 275.377 3.519 0 40 CHAB COc1ncccc1NC(=O)c1ccc(Cl)cc1Cl 47554193 YVMUMFCQRQPVNL-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB O=C(NCCOc1ccc2ccccc2c1)c1cccs1 10995157 GFAROCMPCPMELB-UHFFFAOYSA-N 297.379 3.710 0 40 CHAB CCC(=O)Nc1ccc(-c2nc3cc(OC)ccc3o2)cc1 23411644 KAQWTNHIOYVPEA-UHFFFAOYSA-N 296.326 3.852 0 40 CHAB Cc1ccccc1C(=O)NCCCn1ccc2ccccc21 12555445 PGIUOYFJZLIOQK-UHFFFAOYSA-N 292.382 3.770 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1C 20489062 OQBDUWSGORSWMY-CVEARBPZSA-N 297.398 3.948 0 40 CHAB CCOC(=O)c1ccc(-c2ccc(C=O)o2)c(Cl)c1 57351497 CULNSWUVUIUFKD-UHFFFAOYSA-N 278.691 3.589 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1-n1cccn1 48152359 BLLBGXZTFZPATB-ZIAGYGMSSA-N 298.390 3.573 0 40 CHAB c1ccc(NCCCNc2ncnc3ccsc23)cc1 58217469 YSGWNMHFLWLVOX-UHFFFAOYSA-N 284.388 3.605 0 40 CHAB CNCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3346492 IQTTVGYSKDLEHF-UHFFFAOYSA-N 297.789 3.912 0 40 CHAB Cc1ccc(Sc2ncccc2C(=O)O)cc1C 3338690 CRLOVVXMPXCXPM-UHFFFAOYSA-N 259.330 3.548 0 40 CHAB CCc1sc(=N)n(CC)c1-c1ccc(Cl)cc1 408576205 TZTQGGQBXWVPDF-UHFFFAOYSA-N 266.797 3.932 0 40 CHAB O=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CC=CCC1 13004368 VXDYCRLRCQKWDF-HZPDHXFCSA-N 269.388 3.579 0 40 CHAB CC1(C)Nc2ccccc2O[P@]1(=O)c1ccccc1 4052061 WYRCAOWKXISOIS-LJQANCHMSA-N 273.272 3.831 0 40 CHAB CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)s1 13745636 SACMWSKHUSPZTQ-SFYZADRCSA-N 260.790 3.560 0 40 CHAB Cc1cccc(-c2nnc([C@H](C)N3CCC[C@H](C)C3)o2)c1 39987671 CRUFHUTXHPBMPW-KBPBESRZSA-N 285.391 3.838 0 40 CHAB Cc1cc(C(=O)OCc2c(C)noc2C)c2ccccc2n1 6280887 UJVJYJXZYUQBMS-UHFFFAOYSA-N 296.326 3.505 0 40 CHAB COc1ccc(-c2nnc(COc3ccccc3C)o2)cc1 14215775 QWFPVZVAEALGQF-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB O=c1oc2ccccc2cc1-c1nnc(-c2cccs2)o1 5704916 YQXHNFQPQJJMHS-UHFFFAOYSA-N 296.307 3.572 0 40 CHAB CCCCCSc1nc2c3ccccc3ncn2n1 8394347 JUVUTJXKOZCALT-UHFFFAOYSA-N 272.377 3.560 0 40 CHAB C[C@H](Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)C1CC1 97232195 GELUTEMMFFQFMP-LBPRGKRZSA-N 295.448 3.610 0 40 CHAB O[C@H](CNCC1CCCCCC1)c1ccc(F)c(F)c1 75093143 VSGZFULAXLKOJC-MRXNPFEDSA-N 283.362 3.558 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1CCCCCN1 217460235 VNJYSURXIYOQLX-MRXNPFEDSA-N 269.392 3.694 0 40 CHAB CCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(N)c1 218270670 SQYYCRLTDFYINH-LBPRGKRZSA-N 278.396 3.895 0 40 CHAB c1cc(SC2CCCCC2)ncc1[C@H]1CCCN1 72217224 CCDAXIIBNCZCJU-CQSZACIVSA-N 262.422 3.931 0 40 CHAB COc1ccccc1/C=C1\C(=O)Nc2ccc(Cl)cc21 32945245 IPKCIICJMRRRTE-JYRVWZFOSA-N 285.730 3.841 0 40 CHAB CCCCNc1ncccc1[C@@H]1CCCN1C(C)C 72213597 QUBWBFPNQFCHPG-HNNXBMFYSA-N 261.413 3.839 0 40 CHAB CCOc1ccc(C)cc1NC(=O)c1ccc(C)c(N)c1 216877234 DAOGXBWYGZCODW-UHFFFAOYSA-N 284.359 3.537 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1OC 33572012 DZRIGFHXCBMFKM-INIZCTEOSA-N 299.370 3.800 0 40 CHAB CC(C)c1ccc(OCC(=O)NC(C(C)C)C(C)C)cc1 218958866 MBWZQVVVRKDKLB-UHFFFAOYSA-N 291.435 3.986 0 40 CHAB Cc1ccc(C(=O)c2cccc(C3OCCO3)c2)cc1C 43212556 IVCASLJSDKVYDY-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB CC(C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 40159660 QGXLUPGRWHKUST-UHFFFAOYSA-N 274.191 3.998 0 40 CHAB O=C(O)/C=C/c1ccc2ccccc2c1Br 44201113 NAMNRPBRKKXPFM-BQYQJAHWSA-N 277.117 3.700 0 40 CHAB FC(F)(F)c1cccc(Cc2nsc(Cl)n2)c1 47218903 LMFHFVLWQCAYBW-UHFFFAOYSA-N 278.686 3.801 0 40 CHAB CCCC[C@H](CC)CNS(=O)(=O)Cc1ccccc1C 224166781 HCJBOWVCKJKPLU-HNNXBMFYSA-N 297.464 3.631 0 40 CHAB Cc1cc(NCc2ccc(C(F)(F)F)cc2)no1 83413811 FYCOOOCAXDAOOZ-UHFFFAOYSA-N 256.227 3.614 0 40 CHAB FC(F)(F)[C@@H]1CCC[C@H](N[C@H]2CCO[C@@H](C3CC3)C2)C1 249084059 BAVMIBQEBOCUHJ-ZOBORPQBSA-N 291.357 3.655 0 40 CHAB COc1cc(OC)cc(C(=O)c2cc(F)cc(Cl)c2)c1 95916206 WLAMGLMBARHVJF-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB CO[C@@H]1CN(C2CCCC2)CC[C@@H]1Cc1cccc(F)c1 1615085813 WAKCEHCTMHEPBP-CRAIPNDOSA-N 291.410 3.648 0 40 CHAB COC(=O)c1ccc(OCc2nc3ccccc3s2)cc1 5185109 ZCYFWYMDJCXARQ-UHFFFAOYSA-N 299.351 3.662 0 40 CHAB CNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12931160 XDYPTGFYLZIBJT-UHFFFAOYSA-N 296.301 3.507 0 40 CHAB CCC[C@H](C)NC(=S)Nc1cccc(Cl)c1 13821417 MXDPUPYDSUPIED-VIFPVBQESA-N 256.802 3.815 0 40 CHAB Cc1cc2nc(/C=C/c3cnn(C)c3)sc2cc1C 14176906 FLUGAJDKXUTWMS-SNAWJCMRSA-N 269.373 3.817 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCC[C@H](C)C2)c1 19933381 GVHRUZZGYOGQGQ-LRDDRELGSA-N 289.419 3.638 0 40 CHAB CCN(CC)C[C@@H](OC(=O)c1ccccc1)c1ccccc1 2013576 AVXDZNOJIVOGRR-GOSISDBHSA-N 297.398 3.927 0 40 CHAB in-man Cc1ccc(C(=O)Nc2cccc3ncccc23)cc1 556465 OVLLMBXRXNEIAG-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB O=C(NCc1ccc(-c2ccsc2)o1)NC1CCCC1 575610503 OSRMBCDFTYRWGJ-UHFFFAOYSA-N 290.388 3.750 0 40 CHAB O=C1CC(c2ccccc2Cl)=Nc2ccccc2N1 5186694 ULFPACKKSJHNIT-UHFFFAOYSA-N 270.719 3.803 0 40 CHAB CSCc1nnc(SCC2CCCCC2)o1 40477666 YYFRKAZSNXEHMT-UHFFFAOYSA-N 258.412 3.605 0 40 CHAB CS[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 31663448 REXMHSKRYHAKRB-ZCFIWIBFSA-N 264.177 3.683 0 40 CHAB Nc1oc(=O)c2ccccc2c1Nc1ccc(Cl)cc1 101425891 DKCKXXIEVZVVMK-UHFFFAOYSA-N 286.718 3.772 0 40 CHAB CC[C@@H](C)Oc1cccc(N[C@@H](C)c2cnn(C)c2)c1 51780137 DVGXQZYIHQTBJR-OLZOCXBDSA-N 273.380 3.771 0 40 CHAB CCCN[C@@H](CC)c1cccc(Br)c1 37184375 JDVMATJPAXIXLQ-LBPRGKRZSA-N 256.187 3.900 0 40 CHAB c1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1 32907668 XJKKHBBWZBWJCM-UHFFFAOYSA-N 288.310 3.608 0 40 CHAB Cc1ccnc(N2CCC[C@H]2c2cccc(C)c2C)n1 78307629 JHEYZZZGCDQGLG-INIZCTEOSA-N 267.376 3.743 0 40 CHAB CCN(CC)C[C@H](c1ccccc1)C1(O)CCCCC1 1671203 WHDCMZKMCQFYGL-QGZVFWFLSA-N 275.436 3.807 0 40 CHAB CCCN(CCC)C(=O)c1ccc(Br)cc1 3160740 QOICZLJBFSFEIC-UHFFFAOYSA-N 284.197 3.711 0 40 CHAB COc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl 3481881 ZJEJUVCYCNJJMU-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB CC1=C[C@H](C)[C@@H]2CO[C@H](c3ccc(O)cc3)[C@H]1[C@H]2C 4026155 UVEZFZYRAYSXIF-OGUSLDPUSA-N 258.361 3.928 0 40 CHAB CC1=Nc2c(C)noc2C[C@@H](c2ccccc2O)C1 6483997 UKAPBQCDYQXLJV-NSHDSACASA-N 256.305 3.511 0 40 CHAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2nc3ccccc3o2)C1 53573811 RZTYYQXRKGPMMD-RBSFLKMASA-N 299.418 3.669 0 40 CHAB O=C([C@@H]1CCCS1)N1CC[C@H]1c1ccc(Cl)cc1 104178935 SKYPESLLOSBCBG-STQMWFEESA-N 281.808 3.509 0 40 CHAB O=C1CS[C@H](c2ccc(Cl)cc2)N1Cc1ccco1 3196818 UMUNAAWMXCZUDM-CQSZACIVSA-N 293.775 3.707 0 40 CHAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 108929055 MXNXUGZLEBGSEG-JHJVBQTASA-N 294.826 3.645 0 40 CHAB c1csc([C@H]2NN=C3c4ccccc4CSC[C@H]32)c1 1406593 IMAXBRYGRNQHGC-DOMZBBRYSA-N 286.425 3.660 0 40 CHAB Cc1ccc(-c2nc(N)c3c(C)c(C)sc3n2)cc1 12610360 AHORICWMKDPLPH-UHFFFAOYSA-N 269.373 3.866 0 40 CHAB Cc1ccc(N[C@@H](C)c2nc(-c3ccco3)no2)cc1 26982465 WNNJMGJFOLZWKZ-NSHDSACASA-N 269.304 3.811 0 40 CHAB CC(=O)O[C@@]1(c2ccccc2)CCN(C(C)(C)C)C[C@@H]1C 107171803 RJPQYHOYVZTHMX-KSSFIOAISA-N 289.419 3.585 0 40 CHAB COc1ccc(-c2cs/c(=N/c3ccccc3)n2C)cc1 103517759 GMDGRXFHQFSOJE-ISLYRVAYSA-N 296.395 3.995 0 40 CHAB O=C(O)C[C@H]1c2ccccc2CSc2ccccc21 3619840 MYBCZRPHNGTXMY-AWEZNQCLSA-N 270.353 3.899 0 40 CHAB CC(C)N(C(=O)C1CCOCC1)c1ccc(Cl)cc1 69566090 NAXOYDJKMDZIDX-UHFFFAOYSA-N 281.783 3.508 0 40 CHAB Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C)cc1F 13320161 KUZXKEFDNDUSAQ-BXUZGUMPSA-N 264.344 3.834 0 40 CHAB Fc1cc(CN2CCC(n3cccn3)CC2)ccc1Cl 92618295 DKHDZTHAJGTWRK-UHFFFAOYSA-N 293.773 3.513 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)o1 7779130 SVPJLBVUYOSLEA-FMQWLBJXSA-N 281.355 3.795 0 40 CHAB CC(=O)CSc1ncnc2sc3c(c12)CCCCC3 19796978 IPZSWUGONAPHSC-UHFFFAOYSA-N 292.429 3.641 0 40 CHAB CCCCS[C@H](C)C(=O)N1CCC[C@H]1c1cccn1C 71904766 LBOOIJFRBHWYRG-HIFRSBDPSA-N 294.464 3.610 0 40 CHAB CC(C)(C)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)no1 27925309 IOXHZFBULFRSQS-STQMWFEESA-N 284.359 3.714 0 40 CHAB C[C@H](Nc1cnn(CC(F)F)c1)c1ccc(F)c(F)c1 97037998 ABKODKFPAQFCOG-QMMMGPOBSA-N 287.260 3.600 0 40 CHAB COCc1ccc(CNc2cc(CO)ccc2Cl)cc1 95981703 QOVFOUNZRYDDPH-UHFFFAOYSA-N 291.778 3.591 0 40 CHAB c1cc2nccc(NCc3cc4c(s3)CCC4)c2cn1 85659186 AUNOJBXWQRENQK-UHFFFAOYSA-N 281.384 3.792 0 40 CHAB O=C(CCSc1ccccc1)NCc1ccc(F)cc1 20481771 SVGBEOIOXDKUCN-UHFFFAOYSA-N 289.375 3.624 0 40 CHAB Cc1ccc(-n2nc3c(OC(C)C)nnc(C)c3c2C)cc1 36646306 IDIIQRDYMZSBSU-UHFFFAOYSA-N 296.374 3.528 0 40 CHAB COc1ccc2cc(C(=O)C[C@@H](C)CC(=O)O)ccc2c1 61829226 AFGZXMGGGBPLDY-LLVKDONJSA-N 286.327 3.532 0 40 CHAB CC(C)c1nnc2sc(-c3cc(Cl)ccc3F)nn12 32100872 JLAZQGZYYYNBHK-UHFFFAOYSA-N 296.758 3.769 0 40 CHAB Cc1cccc(Cl)c1NC(=O)N(C)C[C@@H]1CCCOC1 132766949 VESJNDKDZDKHGD-LBPRGKRZSA-N 296.798 3.539 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)C(C)C)c1 47209463 XHSUEPFMXMAWRW-AWEZNQCLSA-N 277.408 3.658 0 40 CHAB CCCNC(=O)c1cc(N)ccc1Nc1cccc(C)c1C 225464042 UYKWZTCQOWGICB-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB Cc1cccnc1C(=O)c1cc(Cl)cc(Cl)c1 45028699 NOVLGOMBCNIPJN-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1ccc(CCC(=O)c2ccc3c(c2)OCO3)cc1 228932367 QHVQGUPKZKFPLB-UHFFFAOYSA-N 268.312 3.539 0 40 CHAB Cc1ccc(O[C@@H](Cc2ccc(C)c(C)c2)C(=O)O)cc1 225033285 ODWFCZBOQBUCBN-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CCc1ccc(CC)c(CNC(=O)Cc2cccs2)c1 223425658 ZYLIDBTWARSKKA-UHFFFAOYSA-N 287.428 3.732 0 40 CHAB CC(C)(C)C(=O)c1c(F)c(F)c(F)c(F)c1F 75854799 QWQHUFRTWSBGED-UHFFFAOYSA-N 252.182 3.611 0 40 CHAB C[C@@H](NCc1nc2ccccc2n1C1CC1)[C@@H]1C[C@H]1C1CC1 529542228 LMMQLLAKRPGGNU-KCXAZCMYSA-N 295.430 3.895 0 40 CHAB O=C(O)c1ccc(CNc2ccc(C(F)(F)F)cc2)o1 40175902 DFSNZIOVACFLIU-UHFFFAOYSA-N 285.221 3.609 0 40 CHAB Cc1ccc(COc2cccc3[nH]c(C(=O)O)cc23)cc1 40352018 APIWOFZESMRLHE-UHFFFAOYSA-N 281.311 3.754 0 40 CHAB C[C@@H]1CCN(C(=O)c2ccn(C)c2)c2ccccc2S1 95966855 XQGNYSITRJCMCS-GFCCVEGCSA-N 286.400 3.556 0 40 CHAB CCS[C@H]1CC[C@H](N(C)C(=O)c2sccc2OC)C1 96432363 YXXBLVTYILEIJL-QWRGUYRKSA-N 299.461 3.503 0 40 CHAB Fc1cc(Cl)ccc1CN1CCC[C@@H]1c1cnccn1 257315656 VCHIGCDOELLXRL-OAHLLOKOSA-N 291.757 3.606 0 40 CHAB CO[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 253473326 UFFFTADAQLZPSC-DYVFJYSZSA-N 299.370 3.593 0 40 CHAB COc1ccc(CNc2cccc(C(=O)O)c2)cc1Cl 105867923 RMIYKGVLGHYABD-UHFFFAOYSA-N 291.734 3.659 0 40 CHAB O=C(c1ccccc1)[C@H]1CCCN(CCc2ccccc2)C1 5551458 ZONSOLSUMGWIOY-IBGZPJMESA-N 293.410 3.824 0 40 CHAB Cc1ccc2[nH]c(=O)c(CNc3ccc(F)cc3)cc2c1 12492475 MEQAQVAPINHTJW-UHFFFAOYSA-N 282.318 3.588 0 40 CHAB CCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@H]1CCCO1 17148328 OLKOZWXNZMOYKX-XYPWUTKMSA-N 298.423 3.617 0 40 CHAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cccc(Cl)c1 19287491 WSCOFWULFHIQNJ-PBHICJAKSA-N 299.805 3.700 0 40 CHAB Cc1cc2cc(CNC(=O)C3CCCCC3)ccc2n1C 4061457 TTZMQWHBDZBBJZ-UHFFFAOYSA-N 284.403 3.683 0 40 CHAB Cc1ccc(NC(=O)N(C)Cc2ccsc2)cc1 23642253 LJPGKEFLSSNEDZ-UHFFFAOYSA-N 260.362 3.720 0 40 CHAB Cc1ccc(NC(=O)c2[nH]nc3c2CCCC3)cc1Cl 32809654 BXPVIGLDQTVDTK-UHFFFAOYSA-N 289.766 3.503 0 40 CHAB Cn1nc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2o1 20013228 UXMOCKVZSVAQKS-UHFFFAOYSA-N 297.358 3.716 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc2ncccc12 20925904 IBGDSAMFWMYMLO-GFCCVEGCSA-N 252.317 3.530 0 40 CHAB CCCCc1ccc(C(=O)N[C@@H](C)c2ccncc2)cc1 20594890 HJLNUWCYFSOPQY-AWEZNQCLSA-N 282.387 3.915 0 40 CHAB O=C(Nc1cccc(Oc2ncccn2)c1)c1cccs1 32027764 XFKVLQYNQWBUPT-UHFFFAOYSA-N 297.339 3.583 0 40 CHAB O=C(Nc1cccc(Cl)c1F)OCC(F)(F)F 32628813 NVBDUMBAQSTUQI-UHFFFAOYSA-N 271.597 3.590 0 40 CHAB in-vitro CCc1ccc(CN(C)C(=O)NCCC2CCCC2)cc1 32803447 MQLQOIHXVLNKLP-UHFFFAOYSA-N 288.435 3.971 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 8778481 PIPFBDBHSVCKBB-FZMZJTMJSA-N 291.354 3.824 0 40 CHAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)O 2643978 BXIGVEDBIXQJOK-UHFFFAOYSA-N 299.157 3.553 0 40 CHAB Cc1nc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)oc1C 76812079 MOXMIWMXQQWZPD-XHDPSFHLSA-N 288.366 3.809 0 40 CHAB O=C1[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1[C@H]2c1ccccc1 4529838 HRLRAZZTFFAGBS-CNMWIUBYSA-N 284.399 3.691 0 40 CHAB CCCCNCCCN(CCCC)CCCNCCCC 4691835 OHJUOEZWCWIELS-UHFFFAOYSA-N 299.547 3.648 0 40 CHAB Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1C 8051884 FYAZTARNMQDXKS-UHFFFAOYSA-N 280.730 3.687 0 40 CHAB COc1cccc2cc(C(=O)Nc3ccccc3F)oc12 8960603 KMYYRVFUZQBSGO-UHFFFAOYSA-N 285.274 3.833 0 40 CHAB CC(C)c1n[nH]c(Sc2nc3ccccc3s2)n1 23620139 WYKLQIQPNLKJDZ-UHFFFAOYSA-N 276.390 3.689 0 40 CHAB CCc1ccc(OCCCNC(=O)c2cccs2)cc1 3178080 LWGPJHYVJKAWAP-UHFFFAOYSA-N 289.400 3.509 0 40 CHAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1ccccc1 54771774 WXYRCRWDGOFQHQ-KRWDZBQOSA-N 298.386 3.588 0 40 CHAB Cc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1 1311599 XTVKJXPRSWPYMQ-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB COc1ccc(CNC(=O)Oc2ccccc2)cc1Cl 1399414 OEVWESKDNKRBCO-UHFFFAOYSA-N 291.734 3.637 0 40 CHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OC(C)C 24991254 KIPYPUSIQDANPX-UHFFFAOYSA-N 283.393 3.606 0 40 CHAB O=C(c1ccccc1)N1CC=C(c2ccccc2)CC1 44671038 CNFUXJHCOAYGKW-UHFFFAOYSA-N 263.340 3.616 0 40 CHAB Cc1ccc2cc(C(=O)N3CCC[C@@H](C)CC3)[nH]c2c1 58163474 VKXMEEJZIJOPDY-GFCCVEGCSA-N 270.376 3.739 0 40 CHAB COc1ccc(CC(=O)Nc2c(C)cccc2C)c(OC)c1 23293242 YFZYUHZYGBBVOI-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB COc1ccccc1C(=O)c1ccc(F)c(Cl)c1 2574616 CRBNENCUVQBEIK-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2cc(C)ccc2OC)c1 3567291 RNRWFABECAPJKN-CSKARUKUSA-N 297.354 3.664 0 40 CHAB Cc1cnc(NC(=O)c2ccc(OCC(C)C)cc2)s1 3560839 GVSMLPPSIHTHMR-UHFFFAOYSA-N 290.388 3.739 0 40 CHAB CN(C)C(=O)c1cccnc1Sc1ccccc1Cl 12972077 BUTJVGCSHWRTHQ-UHFFFAOYSA-N 292.791 3.588 0 40 CHAB Cc1c(C(=O)NCc2ccc(C)n2C)sc2ccccc12 23575919 RJCQDWUJSOTXJW-UHFFFAOYSA-N 298.411 3.787 0 40 CHAB CC(C)OCc1cccc(NC(=O)NCc2ccco2)c1 63607380 UDBMXJGAIQQZLN-UHFFFAOYSA-N 288.347 3.526 0 40 CHAB O=C1CCCN1c1ccc(OCc2ccc(F)cc2)cc1 6588584 CANVYTSYHVIQLP-UHFFFAOYSA-N 285.318 3.532 0 40 CHAB O=C(OCc1ccccn1)c1occc1-c1ccccc1 23038299 XFCWGUFMWQGGGS-UHFFFAOYSA-N 279.295 3.699 0 40 CHAB CCCOc1ccc2c(C)cc(=O)oc2c1OCCC 4749320 GDWVZEZDNGGUNF-UHFFFAOYSA-N 276.332 3.679 0 40 CHAB Cc1ccccc1C(=O)NCCc1cccc(Cl)c1 5620205 HQBLIXAUXZCFLE-UHFFFAOYSA-N 273.763 3.621 0 40 CHAB CC(C)(C)c1cc(S)n2ncc(-c3ccccc3)c2n1 5669324 KQYGJOBDLJHZKK-UHFFFAOYSA-N 283.400 3.983 0 40 CHAB CCCCc1ccc(C(=O)NCc2ccccc2OC)cc1 15426039 QWEGUBCQINZXCR-UHFFFAOYSA-N 297.398 3.968 0 40 CHAB Cc1ccc(CNC(=O)CCn2ccc3ccccc32)cc1 8139278 VICYXJOAFZCMNG-UHFFFAOYSA-N 292.382 3.656 0 40 CHAB CCCC(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12 17207189 FWFLOTMHWFRSJM-UHFFFAOYSA-N 296.374 3.651 0 40 CHAB O=C(c1c(F)cccc1F)C(Cl)(Cl)Cl 307694944 YNHYUUQZKGUIQG-UHFFFAOYSA-N 259.466 3.518 0 40 CHAB COc1ccnc(Nc2cccc(Nc3ccccc3)c2)n1 95348949 CIUZCXKJWYZEFU-UHFFFAOYSA-N 292.342 3.972 0 40 CHAB COc1ccc(Cl)cc1[C@H](C)NCc1scnc1C 95421964 ADQZJKGMZRPMLN-VIFPVBQESA-N 296.823 3.964 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)N(C2CC2)[C@H](C)C2CC2)o1 73503415 IDSIAQYBKRXNFT-VXGBXAGGSA-N 276.380 3.622 0 40 CHAB CC(=O)c1cccc(NC(=O)CCc2ccc(F)cc2)c1 49882989 XNOWHQXROGYWST-UHFFFAOYSA-N 285.318 3.600 0 40 CHAB CNc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72212503 GULMEQUYLBFWMK-QGZVFWFLSA-N 281.403 3.851 0 40 CHAB O[C@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1 68864289 OQKOJXPMVCEZJE-CYBMUJFWSA-N 268.234 3.667 0 40 CHAB FC(F)(F)c1cccc(CNc2nc3ncccc3o2)c1 72342848 XDEFXZXRINLZAC-UHFFFAOYSA-N 293.248 3.854 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 38754671 XFFZELDGAVNZIC-UKRRQHHQSA-N 277.408 3.684 0 40 CHAB C[C@@H]1CC(C)(C)N(C(C)(C)C(=O)O)c2ccc(F)cc21 223205011 DAUPAPPYXRODAK-SNVBAGLBSA-N 279.355 3.781 0 40 CHAB Cc1ncsc1C(=O)N1CCC=Cc2ccccc21 190126851 VQYANSMZOMNFKL-UHFFFAOYSA-N 270.357 3.515 0 40 CHAB CCNCc1cc(C)n(Cc2ccc(C)cc2)c1C 223663297 UUVMDWSGVCFCGT-UHFFFAOYSA-N 256.393 3.571 0 40 CHAB C[C@@H]1CC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C1 199727140 IRRLCZMHDOKRTD-QMMMGPOBSA-N 295.169 3.944 0 40 CHAB O=C(c1ccc(SC(F)(F)F)cc1)c1ccccn1 95740225 DKXBSDXFJIVVFW-UHFFFAOYSA-N 283.274 3.925 0 40 CHAB O=C(N[C@H](c1ccsc1)c1cccs1)C1CCC1 390827465 YFSJZHJLRDUGBK-CYBMUJFWSA-N 277.414 3.815 0 40 CHAB CSCCC(=O)c1ccc(OC(F)(F)F)cc1 131269125 CCWKJSIIAVQRPU-UHFFFAOYSA-N 264.268 3.521 0 40 CHAB Cc1cc(C)cc(C(=O)N(Cc2ccncc2)C2CC2)c1 50822032 QRTXNSHCZUJSTK-UHFFFAOYSA-N 280.371 3.503 0 40 CHAB Cc1ccccc1C(=O)NC1(c2ccccc2)CCC1 53472959 BNNCZTCNLSCCAC-UHFFFAOYSA-N 265.356 3.804 0 40 CHAB CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1nccs1 69514825 BDCFYHGNHAVRCR-VXGBXAGGSA-N 292.791 3.563 0 40 CHAB COc1ccc([CH][CH][C]([O])[CH][CH]c2ccc(OC)cc2)cc1 100032919 IOZVKDXPBWBUKY-UHFFFAOYSA-N 294.350 3.880 0 40 CHAB CCOc1ccc2oc(=O)c(-c3ccc(O)cc3)c(C)c2c1 57834 MOBDZHABRVPJCH-UHFFFAOYSA-N 296.322 3.873 0 40 CHAB biogenic O=C(CCN1CCCCC1)c1csc2ccccc12 1701087 IVQOCTZDCXKGHW-UHFFFAOYSA-N 273.401 3.960 0 40 CHAB in-vitro O=C(O)c1cc2cc(F)c(Br)cc2s1 143943910 CVMZAKCJTQEANP-UHFFFAOYSA-N 275.098 3.501 0 40 CHAB Cc1c(C(=O)Oc2ccc3c(c2)OCO3)oc2ccccc12 5577100 GQKNJIWEIQCMRD-UHFFFAOYSA-N 296.278 3.689 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@]12C[C@H]2c1ccccc1 16607562 ABGBAHFQEQUBSI-FUHWJXTLSA-N 276.339 3.583 0 40 CHAB Nc1cccc(-c2nc(-c3cccc(Cl)c3)no2)c1 19771935 CVNPKLYQNVSKJE-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB C[C@H]1CCC[C@@H](N2CCN(C[C@H]3CC=CCC3)CC2)C1 19900119 PRIBEPJSCZVEBS-OKZBNKHCSA-N 276.468 3.539 0 40 CHAB Cc1c(Cl)ccc2sc(NC(=O)C3CC3)nc12 4331230 XBPUGUCXGCEAGH-UHFFFAOYSA-N 266.753 3.607 0 40 CHAB COc1ccccc1[C@@H](CNc1nc2ccccc2o1)OC 1775970122 CFGXDTMKIFISSL-MRXNPFEDSA-N 298.342 3.636 0 40 CHAB O=C(Cc1cccs1)N(Cc1ccsc1)C1CC1 44446508 IEXFGIJASLYLFD-UHFFFAOYSA-N 277.414 3.543 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccccc2)c2ccccc12 12291013 OXHXZTRCZUTESM-UHFFFAOYSA-N 297.379 3.949 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)c1c(C)noc1C 251906 RAGZXZOCQQDFHR-UHFFFAOYSA-N 264.712 3.506 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)Cc2c(F)cccc2Cl)C1 32564214 RUTPPIJDDAEHCA-PHIMTYICSA-N 283.774 3.526 0 40 CHAB C[C@H](CCc1ccco1)NC(=O)NCCC1=CCCCC1 32779686 SIDVJIFCAZFXTD-CQSZACIVSA-N 290.407 3.790 0 40 CHAB COc1ccccc1C(=O)Nc1nc2ccccc2s1 97559 UPIAKWZLXTWRNR-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB Nc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 321737 LRELKRHYQIEBLR-UHFFFAOYSA-N 288.350 3.773 0 40 CHAB COc1ccc2cc(C(=O)Nc3ncccc3C)ccc2c1 8747498 HDLVVVNSIOFXHN-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CCCN1CCc2c([nH]c3cc(OC)ccc23)[C@@H]1C 1609696 NNGYOENNZYANFQ-NSHDSACASA-N 258.365 3.506 0 40 CHAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(F)c(F)c1 2515421 GFOWLASNZHEJGO-UHFFFAOYSA-N 299.320 3.568 0 40 CHAB Cc1ccc(CC(=O)NCc2ccc(Cl)cc2)cc1C 3479994 XPSJWVKJEOVMSR-UHFFFAOYSA-N 287.790 3.816 0 40 CHAB Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc1C 2767010 ZPWHGFMTJWNXKT-OLZOCXBDSA-N 272.373 3.502 0 40 CHAB CC/C(=C\C(=O)N(C)Cc1ccccn1)c1ccccc1 103912864 NSDTVBABWSCGIV-FYWRMAATSA-N 280.371 3.534 0 40 CHAB c1ccc2c(NC3CC3)nc(-c3ccsc3)nc2c1 22797983 DUGRNRCWCFQMGS-UHFFFAOYSA-N 267.357 3.933 0 40 CHAB NC1=Cc2ccccc2CN1c1ccccc1Cl 104672034 AWLVORAVFLFBNV-UHFFFAOYSA-N 256.736 3.617 0 40 CHAB Cc1nc(C)c([C@H](C)NC(=O)NC2CCCCCC2)s1 56487641 OSKHFQYTMBRHKH-NSHDSACASA-N 295.452 3.843 0 40 CHAB Cc1n[nH]c(C)c1CNC(c1ccccc1)c1ccccc1 97159027 CLRPAWPCIHTWBU-UHFFFAOYSA-N 291.398 3.906 0 40 CHAB O=C1c2ccccc2N[C@@H](c2ccco2)N1C1CCCC1 8719569 FPRWXGHEYVGHSB-MRXNPFEDSA-N 282.343 3.789 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccccc1O)C2 105084720 GAZVSNAEUUUDEK-YLVFBTJISA-N 274.360 3.764 0 40 CHAB CC(C)NC(=O)CSCc1c(Cl)cccc1Cl 3350118 CBIVDKVLMQKERN-UHFFFAOYSA-N 292.231 3.751 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1ccc2ccccc2n1 48325493 XALMKQKEFRZCMI-QGZVFWFLSA-N 288.350 3.652 0 40 CHAB Cc1cc(NC(=O)C(C)(C)C)ccc1Br 3411179 BRCMJRMHXZWILJ-UHFFFAOYSA-N 270.170 3.742 0 40 CHAB O=c1[nH]c(C2CCCCC2)nc2ccc(N3CCCC3)cc12 4002646 PTMMTDJMNYUZRA-UHFFFAOYSA-N 297.402 3.571 0 40 CHAB C/C(=C\C(=O)N(C)Cc1ccccn1)CCc1ccccc1 96256409 YFKKIQYKEQMJFH-JQIJEIRASA-N 294.398 3.619 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)OC1CCCCC1 14517206 WRQDMKSMJOELTQ-UHFFFAOYSA-N 271.360 3.976 0 40 CHAB CCC[C@H](C)NC(=O)C1(c2ccccc2)CCCC1 6757524 FWGGODQHDRBACN-AWEZNQCLSA-N 259.393 3.803 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1c(F)cccc1F 7655708 QDAXFFWWDWBHDO-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H]1c1ccncc1 29790049 NSJYLKGBAUUDDZ-CQSZACIVSA-N 298.411 3.609 0 40 CHAB CC(C)C[C@@H](NCc1ccsc1)C(=O)OC(C)(C)C 95414168 TUUIZHCAZATJEU-CYBMUJFWSA-N 283.437 3.594 0 40 CHAB Cc1cccc2c1c(C=O)cn2C(=O)OC(C)(C)C 218343476 IEKUZXIBCXDXMH-UHFFFAOYSA-N 259.305 3.545 0 40 CHAB c1ccc2sc(SCC[C@H]3CCCCN3)nc2c1 43499426 SQDKIJHEMJDHNW-LLVKDONJSA-N 278.446 3.921 0 40 CHAB Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)C3)o2)c(N)c1 226304914 SYPFMZACDKGNGN-ZDUSSCGKSA-N 298.386 3.709 0 40 CHAB CCCn1c(C)c(CN)c2cc(O[C@H](C)CC)ccc21 223757514 ODPGUZKXRFEEOZ-GFCCVEGCSA-N 274.408 3.996 0 40 CHAB CCc1ccccc1C[C@@H](Oc1cccc(C)c1)C(=O)O 225039360 ALDZGJVNKHGPNW-QGZVFWFLSA-N 284.355 3.632 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(C)cc1 223150911 YZOUNQULYXPTGU-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 225315337 QFMXASPTILPQNH-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB COc1ccccc1CN(C)C(=O)c1ccc(C)c(C)c1 45477510 JPUYJHACCHUMKI-UHFFFAOYSA-N 283.371 3.584 0 40 CHAB Cc1ccc(NC(=S)NC2(C(C)C)CCCC2)nc1 225872647 SUCUCMQZOUVVKZ-UHFFFAOYSA-N 277.437 3.645 0 40 CHAB Fc1cc(Cl)cc2sc(Br)nc12 225307995 XUIGILRYVGQGDH-UHFFFAOYSA-N 266.522 3.851 0 40 CHAB O=C(c1ccc(Cl)cn1)N1CCC[C@H]2CCCC[C@H]21 89794259 NYRMUJRRSBOLAE-BXUZGUMPSA-N 278.783 3.530 0 40 CHAB Cc1ccc([C@H](O)c2cccc3ccccc23)cc1N 226294541 WLOMIJZLPQCKFT-SFHVURJKSA-N 263.340 3.812 0 40 CHAB COc1ccccc1-n1cnc(-c2ccccc2)c1 199728439 YJUDKDXIPVYDPN-UHFFFAOYSA-N 250.301 3.548 0 40 CHAB CC(C)(C)OC(=O)N1CCC(=O)c2cc(Cl)ccc2C1 96510464 QMSCDKXGLQFTKG-UHFFFAOYSA-N 295.766 3.664 0 40 CHAB COC(=O)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 90804386 KLZLMBIBHOMNSX-UHFFFAOYSA-N 297.232 3.679 0 40 CHAB Cc1ccc([C@@H](O)c2cc(Cl)cc(Cl)c2)o1 95727583 XSBIVMNQGQRXTN-LBPRGKRZSA-N 257.116 3.977 0 40 CHAB C[C@@H](OC(=O)c1ncoc1[C@H]1CCCO1)C1CCCCC1 96407076 AEMSRZPNHQPWKY-DGCLKSJQSA-N 293.363 3.652 0 40 CHAB CC(C)[C@@H]1CCCCN1c1ccc2cccc(O)c2n1 685938235 MHFOEZIKRUIWPX-AWEZNQCLSA-N 270.376 3.955 0 40 CHAB C[C@H](NC(=O)c1ccoc1)c1cccc2ccccc12 15497112 PRSNMLAWEQCUPT-LBPRGKRZSA-N 265.312 3.924 0 40 CHAB CCOC(=O)[C@@](C)(F)c1ccc2cc(OC)ccc2c1 98174855 JLIIVYRPKUQUOM-INIZCTEOSA-N 276.307 3.596 0 40 CHAB O=[S@](Cc1ccc(Cl)cc1)c1ccccc1 4692292 DMXKWWLFOPKKAW-INIZCTEOSA-N 250.750 3.648 0 40 CHAB CCCCN(CCCC)[C@H]1OC(=O)c2ccccc21 33374231 AWRPIBMTXCXNRN-HNNXBMFYSA-N 261.365 3.758 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1Cl 15967003 OZBTYJFODOYULQ-NSHDSACASA-N 289.762 3.840 0 40 CHAB Cc1c(N)cccc1C(=O)Nc1ccc(C(C)C)cc1 19387262 RRAUHSFTYUVPSL-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB CCOC(=O)c1cc(/C=C/c2cccc(Cl)c2)on1 1588861 LWUPPRSYPIHDGC-VOTSOKGWSA-N 277.707 3.675 0 40 CHAB O=C(Nc1ccccc1)N1CCC(=C2CCC2)CC1 1775985945 KEUVLLSNFXUFKQ-UHFFFAOYSA-N 256.349 3.795 0 40 CHAB Brc1cccc(-n2cnc3ccccc32)c1 95915562 IYETZQWUKMPUDQ-UHFFFAOYSA-N 273.133 3.788 0 40 CHAB O=C(/C=C/c1ccco1)N(Cc1ccsc1)C1CC1 49521828 PVKHJAOPTSEKSZ-AATRIKPKSA-N 273.357 3.546 0 40 CHAB Cc1cc(Cl)ccc1Cc1sc(N)nc1C 36205906 VSELJXZFGPRKOD-UHFFFAOYSA-N 252.770 3.586 0 40 CHAB CC(=O)c1cncc(-c2ccc3c(c2)CCCC3)c1 82709086 LAXCVTGNRRDTSR-UHFFFAOYSA-N 251.329 3.830 0 40 CHAB CCCCN(CC)C(=O)c1ccc2nc(C)c(C)nc2c1 40009559 JZLBOPTUFYCISG-UHFFFAOYSA-N 285.391 3.509 0 40 CHAB Oc1c2c(nc3cc(-c4ccc(Cl)cc4)nn13)CCCC2 100884029 BNIMYHCEOZMZLE-UHFFFAOYSA-N 299.761 3.634 0 40 CHAB Cc1cc([C@H](C)NC(=O)c2cccs2)c(C)s1 31951758 HIXUQKJPGJTJHN-VIFPVBQESA-N 265.403 3.917 0 40 CHAB CCOC(=O)Nc1nc(-c2ccc(C)cc2)cs1 142490 SNIUVMGZLDYZNV-UHFFFAOYSA-N 262.334 3.687 0 40 CHAB CC[C@H]1C[C@H](CNC(=O)Nc2ccc(OC)cc2)C1(C)C 195283 ZXMJABXGGPNMTA-QWHCGFSZSA-N 290.407 3.889 0 40 CHAB COc1ccc2c(c1)[C@@](C)(c1ccccc1)C[C@@H](C(=O)O)C2 1615613 AEOUKUJQOHNJCC-IFXJQAMLSA-N 296.366 3.648 0 40 CHAB Cc1oc(-c2cccs2)nc1CS[C@@H](C)[C@H](C)O 79060068 WDVVCCSIBYNXJW-WPRPVWTQSA-N 283.418 3.714 0 40 CHAB O=C(c1cccnc1)c1ccc(Cl)cc1Cl 22121752 PXZZSHUYULFXEM-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB Cc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886047 IYMBKVGWXSMXSX-QGZVFWFLSA-N 278.355 3.724 0 40 CHAB Clc1nccc(-c2ccc(Br)cc2)n1 12396800 KRYQVNMBOLJHAD-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB Cc1ccccc1-c1cc(O)n(-c2ccccc2)n1 10157334 PHNXTWDFBRLZFV-UHFFFAOYSA-N 250.301 3.553 0 40 CHAB Cc1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2)cc1 24613984 HRCSDKVICCKDJC-UHFFFAOYSA-N 295.791 3.590 0 40 CHAB O=C(Nc1ccccc1)[C@H]1CCCc2ccccc21 24833814 HLKVKCMPRZNMIW-INIZCTEOSA-N 251.329 3.745 0 40 CHAB COc1cc(Nc2nnc(C)s2)c(Cl)cc1Cl 1397922 YRUHMKBLHRLJBT-UHFFFAOYSA-N 290.175 3.906 0 40 CHAB CC(=O)c1c(-c2ccc(F)cc2)c2cc(F)ccc2[nH]c1=O 56894978 NZPMYWSPOUXVEK-UHFFFAOYSA-N 299.276 3.676 0 40 CHAB CCSc1nnc(-c2ccccc2F)n1C1CC1 58110675 JXQHOBXJNLCGHD-UHFFFAOYSA-N 263.341 3.531 0 40 CHAB COc1cc2ccccc2cc1C(=O)OCc1ccccn1 10394141 MIWPXHMJUPMFTA-UHFFFAOYSA-N 293.322 3.600 0 40 CHAB CCN(CC)[C@H](C)C(=O)C12CCC3C[C@@H](C[C@@H](C3)C1)C2 27988323 RWYVMAIKRGMMHS-HCBPCCMXSA-N 277.452 3.892 0 40 CHAB CC(C)(C)c1ncc(NC(=O)NC2CCCCCC2)cn1 58424628 WIRPQTVCFJWYKE-UHFFFAOYSA-N 290.411 3.618 0 40 CHAB Fc1ccc(-c2noc(-c3ccc(Cl)nc3)n2)cc1 22120407 GNHGOGBQYWKECT-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB COc1cc(Cl)c(NC(=O)C[C@H]2C=CCC2)cc1OC 12729208 ODYHVOSOIRXZBP-JTQLQIEISA-N 295.766 3.652 0 40 CHAB CCCCc1ccc(C(=O)CCC(=O)OCC)cc1 2580368 NWVLDWIWTFZMEQ-UHFFFAOYSA-N 262.349 3.555 0 40 CHAB Cc1ccc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)cc1 48324407 LTMXNRWOPOQTPO-OAHLLOKOSA-N 297.402 3.641 0 40 CHAB CCCSc1nnc(Nc2ccc(OC)cc2)s1 3542298 UJWIXVNMXCGWJG-UHFFFAOYSA-N 281.406 3.792 0 40 CHAB Cc1cc(NC(=O)N(Cc2sccc2C)C(C)C)no1 48979321 XFUZTQLRTUUILY-UHFFFAOYSA-N 293.392 3.795 0 40 CHAB c1ccc(-c2csc(NCc3cccnc3)n2)cc1 4054722 JVMJDZBRFILKFZ-UHFFFAOYSA-N 267.357 3.817 0 40 CHAB CC(C)[C@H](CC(=O)NCc1cccnc1)c1ccccc1 13722000 VZKMNHKSDUVQJJ-KRWDZBQOSA-N 282.387 3.528 0 40 CHAB Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)cc1 8993843 STLPGGZREUVKLH-MRXNPFEDSA-N 283.375 3.703 0 40 CHAB CCCOc1ccc(-c2nc(-c3ccccn3)no2)cc1 4520784 OIKOCTYRUOEESV-UHFFFAOYSA-N 281.315 3.587 0 40 CHAB CCc1ccc(/C=C/C(=O)Nc2ccccc2OC)o1 5487670 ISYYAIIHCRIQGI-ZHACJKMWSA-N 271.316 3.503 0 40 CHAB CCCCN1C(=O)S/C(=C\c2ccccc2)C1=O 4813646 RCRWTZVSNAXUAG-BENRWUELSA-N 261.346 3.523 0 40 CHAB O=C(c1ccccc1)N(Cc1ccco1)c1ccccn1 15669835 ZFCSIMZOICDALG-UHFFFAOYSA-N 278.311 3.522 0 40 CHAB Cn1ccnc1SCc1csc(-c2ccsc2)n1 7318163 LWIFNKFHEYBBNV-UHFFFAOYSA-N 293.442 3.897 0 40 CHAB COc1ccc(Cl)cc1Nc1nc(C)c(C(=O)O)s1 8024632 QJHZFBQQRIBOMW-UHFFFAOYSA-N 298.751 3.555 0 40 CHAB COc1ccccc1[C@@H](C)Nc1ncnc2sccc12 8490022 PCINXYLMZADFMA-SNVBAGLBSA-N 285.372 3.873 0 40 CHAB Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)c(O)c1 17410358 PJKSSYPZHPPQFY-UHFFFAOYSA-N 292.338 3.744 0 40 CHAB Cc1cc(C[S@@](=O)Cc2ccc(C(C)C)cc2)no1 71858822 FLKHZZULCWEMDZ-LJQANCHMSA-N 277.389 3.555 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2n[nH]c3ccccc23)C1(C)C 95349078 ADYCBWQYAUTSLL-TZMCWYRMSA-N 283.375 3.740 0 40 CHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)cc1 32819430 VCGFGWGKLKFVIE-WBVHZDCISA-N 285.387 3.715 0 40 CHAB COc1ccc(C(=O)c2c(F)cccc2Cl)cc1F 35423953 DTJGCEHORKMZKH-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB Cc1c(Br)c(Cl)nc2ccccc12 34925460 AOUBIWDUJIXTJX-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB Cc1nc(NC(C)(C)C)ccc1C(=O)c1ccccc1 72225011 FWOGXRBAWMRYCW-UHFFFAOYSA-N 268.360 3.831 0 40 CHAB Cc1cccc(CNC(=S)Nc2ccccc2F)c1 44385827 OTWMBVDLWCSXMW-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB CC[C@H]1CCCCN1c1cc(C)c(Br)cn1 42783503 ONQSNNIDGVCBFT-NSHDSACASA-N 283.213 3.921 0 40 CHAB CCCCCNC(=O)c1ccc2sc(Cl)nc2c1 225974222 YZWKQBOAEUMRJP-UHFFFAOYSA-N 282.796 3.870 0 40 CHAB CC(C)CSC[C@H](C)N[C@H](C)c1ccncc1 95419216 JNGLMTALZAJMGS-QWHCGFSZSA-N 252.427 3.510 0 40 CHAB COC(=O)Nc1ccccc1OCc1ncoc1C(C)C 92316216 PIXPVUAIPLSWOV-UHFFFAOYSA-N 290.319 3.555 0 40 CHAB C[C@H](Cc1ccoc1)NC(=O)CCSc1ccccc1 84829556 BNDHBOPUTNZVPI-CYBMUJFWSA-N 289.400 3.509 0 40 CHAB Cc1noc(C)c1CN(C)[C@H](C)c1cccs1 53428342 QLGBLURDEAXMSV-SNVBAGLBSA-N 250.367 3.546 0 40 CHAB CCCN(c1c(C)cc(C)cc1C)[C@H](CC)C(=O)O 260677583 IRZMAHZIMUQXBK-CQSZACIVSA-N 263.381 3.691 0 40 CHAB CCOC(=O)c1nc2ccc(F)cc2c(Cl)c1Cl 685936991 HAYHQOOOUMGUBF-UHFFFAOYSA-N 288.105 3.857 0 40 CHAB O=C(O)c1cc([C@H]2C[C@@H]3C=C[C@H]2C3)nc2ccccc12 1235093 QKDDGOCUYOOPRI-MDZLAQPJSA-N 265.312 3.613 0 40 CHAB Fc1ccc(NC(=S)NC2CCCCC2)c(F)c1 13787438 COTVPQCPTLJWMR-UHFFFAOYSA-N 270.348 3.584 0 40 CHAB C[C@@H]1OC(c2ccccc2)(c2ccccc2)O[C@@H]1C 17145672 LSSAXVFWCRKZIZ-OKILXGFUSA-N 254.329 3.712 0 40 CHAB CC(=O)c1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1O 30822733 ORZPICGJLYOTKO-UHFFFAOYSA-N 294.306 3.677 0 40 CHAB CCOC(=O)Nc1c(-c2ccccc2)nc2ccc(C)cn12 27023744 GPWIOPRGUNBBCD-UHFFFAOYSA-N 295.342 3.878 0 40 CHAB COc1cccc([C@@H]2CCCN2C(=O)c2cc(C)oc2C)c1 40047457 VKVHBMMPEOWVCH-KRWDZBQOSA-N 299.370 3.882 0 40 CHAB Cc1ccc(CCC2CCN(C(=O)C3CC3)CC2)cc1 40023354 ODUIXTBKEZIMCD-UHFFFAOYSA-N 271.404 3.576 0 40 CHAB Brc1ccc2ncnc(NC3CCCC3)c2c1 151430 MEXCYXHXSLFKJF-UHFFFAOYSA-N 292.180 3.747 0 40 CHAB O=C(SCc1ccccc1)c1csc2nnsc12 385895 UNBNBXPZFPLAOB-UHFFFAOYSA-N 292.410 3.826 0 40 CHAB CN1c2ccccc2C(=O)N[C@H]1c1ccc2ccccc2c1 21360801 FZECJRIOGVBBQX-GOSISDBHSA-N 288.350 3.718 0 40 CHAB Cc1sc2nc[nH]c(=O)c2c1-c1ccc(Cl)cc1 102726 QJIQBTGANJMDPQ-UHFFFAOYSA-N 276.748 3.613 0 40 CHAB O=S(=O)(Nc1cccc2ccccc12)c1ccccc1 156183 VRKMDUCAEICPMN-UHFFFAOYSA-N 283.352 3.641 0 40 CHAB Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccco2)C1 78185227 ZQTIYKDTBHAFIV-KGLIPLIRSA-N 269.344 3.606 0 40 CHAB O=C(c1ccccc1)c1ccc(CN2CCCC2)cc1 2514544 ATSFRKNYZQYHSN-UHFFFAOYSA-N 265.356 3.513 0 40 CHAB COc1ccccc1C(=O)CCc1cc(F)c(F)c(F)c1 2517839 YZMNBOPGYMMRED-UHFFFAOYSA-N 294.272 3.928 0 40 CHAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F 4015510 ZTCQEOTWIFXSDO-KRWDZBQOSA-N 282.318 3.523 0 40 CHAB Clc1ccc(C2=CSC3=NCCCCN23)cc1 6225415 BUVCVOSFKQUGMV-UHFFFAOYSA-N 264.781 3.837 0 40 CHAB COc1ccccc1NC(=S)Nc1cc(C)ccc1F 6965511 SYQARKHEHLDOFI-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CNC[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 54588534 ZELGKUMJOLREBI-SJLPKXTDSA-N 267.372 3.589 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CC(=O)Oc1ccccc1 100366783 HWMGNZIDLAPOLP-HBUWYVDXSA-N 286.371 3.624 0 40 CHAB C[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1cccs1 23265446 JKHHCUCCEFBQEY-GMSGAONNSA-N 278.204 3.509 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1cc2ccccc2o1 53475482 JITQAUZYQDEOLB-HNNXBMFYSA-N 277.323 3.850 0 40 CHAB C[C@H](Oc1ccccc1)c1ccnn1C(=O)c1ccccc1 3027689 MWCSAJIQOGGNNE-AWEZNQCLSA-N 292.338 3.712 0 40 CHAB CC(C)(C)c1ccc(O[C@@H]2CCCNC2)c(Cl)c1 42775348 AKPPASMZZUYYNG-GFCCVEGCSA-N 267.800 3.768 0 40 CHAB O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1 1188680 IXAZKCSHTIIWNJ-UVTDQMKNSA-N 297.335 3.633 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)on1 12598982 HOXFCOCZDVQSTK-UHFFFAOYSA-N 292.338 3.826 0 40 CHAB NC(=O)c1ccc(Oc2ccc(-c3ccccc3)cc2)nc1 24990663 BXSUHHKMDAWJTR-UHFFFAOYSA-N 290.322 3.640 0 40 CHAB O=C(OCc1csc(-c2ccco2)n1)c1ccccc1 25456443 CKQHZOJJIKENBD-UHFFFAOYSA-N 285.324 3.760 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)NC1CCCCCCC1 59267369 BVLJWYFFOFXTHC-OAHLLOKOSA-N 289.419 3.991 0 40 CHAB COc1ccc(OC)c(NC(=O)/C=C/[C@@H]2CC=CCC2)c1 26841254 KWWXJHDCXXOLQH-RUNBWSAHSA-N 287.359 3.555 0 40 CHAB CC(C)(C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 27380899 ILDAVUWUGCDCGW-LBPRGKRZSA-N 286.375 3.580 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc2ccccc2c1 3399181 YZMVBMHLLSLHSW-KBXCAEBGSA-N 297.398 3.914 0 40 CHAB C[C@@H](NC(=O)Nc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101494138 KVGMTVUPUOMKSE-BHPKHCPMSA-N 258.365 3.633 0 40 CHAB O=c1cc(-c2ccccc2)ncn1Cc1cccc(Cl)c1 22604828 IPQWRSSBTVTVGH-UHFFFAOYSA-N 296.757 3.612 0 40 CHAB CCCCC[C@H]1C[C@@H](COc2ccccc2)OC1=O 2116242 HPDUUKCYHLISGS-ZFWWWQNUSA-N 262.349 3.577 0 40 CHAB biogenic CC(C)(C)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)no1 27925300 IOXHZFBULFRSQS-OLZOCXBDSA-N 284.359 3.714 0 40 CHAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nccc3N2)cc1 2536704 CVFFHRZXJOMAKL-NEPJUHHUSA-N 297.280 3.552 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1cccc2cccnc12 12933981 DSVNDFWXMQPMJO-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB Cc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 18116195 UCDRTPVUVRHMGC-UHFFFAOYSA-N 296.395 3.839 0 40 CHAB C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2[C@H]3CC=CC[C@@H]3C(=O)N21 4024955 MAFXGFNNEKUFGD-NLNKHKNDSA-N 292.382 3.578 0 40 CHAB biogenic O=C(CCCc1c[nH]c2ccccc12)Nc1ccncc1 13556567 WKYHEHGKKDLBRU-UHFFFAOYSA-N 279.343 3.524 0 40 CHAB S=C(NC1CCCCCC1)NC1CCCCC1 13818443 MLXRYNHACPZSOF-UHFFFAOYSA-N 254.443 3.506 0 40 CHAB Brc1cccc(CSc2ncccn2)c1 14067411 AEVSOBLYWCIBEQ-UHFFFAOYSA-N 281.178 3.531 0 40 CHAB Cc1oc(C2C3CC4CC(C3)CC2C4)cc1C(=O)O 4653917 RSPSIYCXPFXCPU-UHFFFAOYSA-N 260.333 3.826 0 40 CHAB COc1ccc(NC(=O)c2cc3cc(C)ccc3n2C)cc1 4711981 ULTXZXXPXHMCID-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB aggregator CCC(=O)Nc1ccc(C(=O)COc2ccc(C)cc2)cc1 6941124 VIVOVMZCQYOOGC-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB CO[C@@H]1CCC[C@@H](OC(=O)c2cnc(C(C)(C)C)s2)C1 67475815 JFQXJLBLTBKVIC-GHMZBOCLSA-N 297.420 3.555 0 40 CHAB O=C(Nc1ccc2oc3ccccc3c2c1)[C@@H]1CCCO1 9154054 QVAFPDUWPAYONX-INIZCTEOSA-N 281.311 3.704 0 40 CHAB CCSc1ccccc1OCc1nnc(SC)s1 95438629 HCDHZFDXPFISSK-UHFFFAOYSA-N 298.458 3.951 0 40 CHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC(C)C 20034648 CGANOADORGBXMK-CQSZACIVSA-N 283.799 3.660 0 40 CHAB CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1 114550308 FGUDMROYDQCCNY-UHFFFAOYSA-N 260.293 3.583 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1C 89944201 VMHXCKAJSCLCIW-UHFFFAOYSA-N 286.356 3.508 0 40 CHAB COc1ccc2c(Oc3cccc(N)c3)ccnc2c1 64875321 BBXKCZSLKYLKFN-UHFFFAOYSA-N 266.300 3.618 0 40 CHAB CC1(C)c2ccccc2CN2C(=O)O[C@@]3(C)CC[C@H]1[C@]23C 4167656 NNHHRFVHHXMVBU-JLSDUUJJSA-N 285.387 3.857 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1cccc(OC)c1OC 60612984 GQYVJHOCUQLMMP-CYBMUJFWSA-N 293.407 3.650 0 40 CHAB Cc1ccc(C)c(OCC(=O)NC[C@@H](C)c2ccccc2)c1 36735557 TYBVUTGFIOVOPN-MRXNPFEDSA-N 297.398 3.602 0 40 CHAB CC(=O)N1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 72212174 FABQWRRSGZNYHK-KRWDZBQOSA-N 296.370 3.947 0 40 CHAB C[C@H](Sc1ccc(-n2ccnc2)nn1)c1ccccc1 70635257 GILHJJKVPSTHTG-LBPRGKRZSA-N 282.372 3.516 0 40 CHAB C[C@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 71121587 FAMHFRHHDYCPMD-ZDUSSCGKSA-N 276.339 3.726 0 40 CHAB Cc1cc(NC(=O)[C@@H](C)S[C@H](C)c2cccs2)on1 77961504 RNWHSMQLDQBETI-NXEZZACHSA-N 296.417 3.866 0 40 CHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2ccccc21 219571681 HEXCDUZFARQJRE-MRXNPFEDSA-N 299.345 3.572 0 40 CHAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1Cl 74949301 HVOFXVGXTJJMRL-UHFFFAOYSA-N 281.783 3.611 0 40 CHAB CCCCOc1ccccc1[C@H](C)NC[C@@H]1CCCO1 225162061 HIVCPSLTVHCDSA-GJZGRUSLSA-N 277.408 3.695 0 40 CHAB COc1ccc(NCC2CCC2)cc1C(F)(F)F 199570885 XHPGVJWLNSZHHD-UHFFFAOYSA-N 259.271 3.926 0 40 CHAB COCc1cc(C(=O)Nc2cccc(C)c2C)ccc1OC 224395265 NUWQQQVKJSQHBN-UHFFFAOYSA-N 299.370 3.711 0 40 CHAB CCOC(OCC)c1ccc(O[C@@H]2CCCCO2)cc1 43503340 SKCQUQHOARNGJP-OAHLLOKOSA-N 280.364 3.664 0 40 CHAB Cc1noc(C)c1CN(Cc1ccco1)Cc1ccco1 40012117 HIHWCNZMLHXRKJ-UHFFFAOYSA-N 286.331 3.680 0 40 CHAB COc1cc(N)cc(Br)c1NC1CCCCC1 45958882 YAIYBXRKVQFPOI-UHFFFAOYSA-N 299.212 3.785 0 40 CHAB Cc1cccc(CNC(=S)Nc2c(F)cccc2F)c1 225427155 SEVKESDVIINGDR-UHFFFAOYSA-N 292.354 3.760 0 40 CHAB Cc1ccc([C@H](O)c2ccc(C(C)C)cc2)cc1N 226292121 ZKRGFCGPOGVSGV-QGZVFWFLSA-N 255.361 3.782 0 40 CHAB COc1ccc(CCCNC(=O)c2ccc(C)c(C)c2)cc1 96694541 SVNJDNLFRLBESD-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB C[C@H]1CC[C@@H]1COc1ccc(Br)cc1 96526385 QIKCTGBVJVCOQP-VHSXEESVSA-N 255.155 3.874 0 40 CHAB C[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2)CC[C@H]1C 500251384 QGTGRTWUEZOXHB-CHWSQXEVSA-N 294.826 3.570 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](O)c1ccccc1 252370222 XEOQHVVLXIUVHB-DZUCGIPZSA-N 290.403 3.724 0 40 CHAB CC[C@H](C(=O)c1ccc2c(c1)CCCC2)N1CCCC1 299817118 DNKYSKGKPOHTKY-QGZVFWFLSA-N 271.404 3.623 0 40 CHAB in-vitro CC(C)Oc1c(F)cc(F)cc1Br 95915490 MKVJNPUMBOJMLE-UHFFFAOYSA-N 251.070 3.515 0 40 CHAB C[C@@H]1Cc2ccccc2N1CCC(=O)Nc1ccc(F)cc1 59370428 CLECWHSYENATDW-CYBMUJFWSA-N 298.361 3.606 0 40 CHAB CCC(CC)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100809762 ZLXWNJLYNFKZQV-OKILXGFUSA-N 284.444 3.601 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2Cl)o1 12978860 HEQOFOWFVDVOSO-SNVBAGLBSA-N 263.724 3.732 0 40 CHAB Cc1cc(N)ccc1NC(=O)c1cccc2ccccc12 19399924 MLDXYXFUPNQCPY-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB Fc1ccccc1CCNCc1ccccc1Cl 19912587 GIKZSLIXPVIZRL-UHFFFAOYSA-N 263.743 3.811 0 40 CHAB O=C(c1ccccn1)N(Cc1ccccc1)Cc1ccco1 35395851 VXRUBLUXIPESCM-UHFFFAOYSA-N 292.338 3.517 0 40 CHAB C[C@@H](NCc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 95941253 UTDUOJLPLQSION-GFCCVEGCSA-N 290.407 3.922 0 40 CHAB CCCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 4072161 VLAWCNKMEHWXCW-UHFFFAOYSA-N 295.795 3.987 0 40 CHAB CC[C@@H](C(=O)c1ccccc1C(=O)OC)c1ccccc1 575362222 AMPCEVHDGMZSMR-CQSZACIVSA-N 282.339 3.850 0 40 CHAB CC[C@H](C(=O)NCc1ccsc1)c1ccccc1 38586199 LGCWQWKYMUVRNL-AWEZNQCLSA-N 259.374 3.558 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccco1 40012725 FPPGLYONTHYVHT-ZDUSSCGKSA-N 290.388 3.560 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 40525046 BQSLVAXYWQUKOS-UHFFFAOYSA-N 278.311 3.623 0 40 CHAB Cc1cc(C)n(-c2ncnc3sc4c(c23)CCCCC4)n1 1004566 ICLNBVJLMJKYDR-UHFFFAOYSA-N 298.415 3.763 0 40 CHAB CCN(CC)C[C@H](c1ccccc1)[C@H](O)c1ccccc1 1671247 AJVAWAZHINELBV-RTBURBONSA-N 283.415 3.846 0 40 CHAB Cc1cccc(NCc2c(C)[nH]c3ccccc3c2=O)c1 2706766 DGCZAWZWMASJSU-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1cccc(-n2c(CC(C)C)nc3ccccc3c2=O)c1 509298 YAHMBIJPCCERNJ-UHFFFAOYSA-N 292.382 3.893 0 40 CHAB S=C(c1cccc(Br)c1)N1CCCCC1 9189023 ASQHWQIQFAURRI-UHFFFAOYSA-N 284.222 3.611 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccnn1C1CCCC1 105931586 VDYXWGVNOZUPFG-MELADBBJSA-N 287.407 3.763 0 40 CHAB Cc1cccc(/C=C2/N=C(S)N(c3ccccc3)C2=O)c1 34927070 LMBBNHOHGGTJFA-RVDMUPIBSA-N 294.379 3.669 0 40 CHAB Cc1cccc(Oc2nc3ccccn3c2C=O)c1C 35433512 NJGOBDBDDJRZQB-UHFFFAOYSA-N 266.300 3.556 0 40 CHAB in-vitro CCCC[C@H](CC)C(=O)Nc1cc(OC)ccc1OC 2064678 ULPVFOQMVCWXQJ-LBPRGKRZSA-N 279.380 3.859 0 40 CHAB COc1ccc2ccccc2c1CNCc1c(C)noc1C 44862025 DVYVLWPSKOBRGE-UHFFFAOYSA-N 296.370 3.743 0 40 CHAB COc1cccc2cc(C(=O)NCc3cc(C)oc3C)oc12 70640385 RIPPQMUFEONLRG-UHFFFAOYSA-N 299.326 3.581 0 40 CHAB CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 48249873 LMEKPDQWEHYURM-HEHGZKQESA-N 259.393 3.718 0 40 CHAB O=C(NC(=S)c1ccccc1)Oc1ccccc1Cl 408730400 FZJIIYYDRJBHQK-UHFFFAOYSA-N 291.759 3.804 0 40 CHAB Cc1ccc([C@@H](O)c2cccc(OC(C)C)c2)s1 61666902 QCAITNDUUJPLBR-HNNXBMFYSA-N 262.374 3.925 0 40 CHAB COc1ccccc1[C@H]1CCCN1C(=O)c1ccccc1 68814992 CQRXHZGVLBPRSO-MRXNPFEDSA-N 281.355 3.673 0 40 CHAB Cc1csc(-c2cccc(NC(=O)N3CCCC3)c2)n1 69808883 AITHZEBRAKPVBM-UHFFFAOYSA-N 287.388 3.746 0 40 CHAB Cc1ccsc1C(=O)OCc1cnn(-c2ccccc2)c1 14241401 KGLFKIAQHGHZDF-UHFFFAOYSA-N 298.367 3.599 0 40 CHAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1S 4666299 WITCOAPYNQQTMP-UHFFFAOYSA-N 293.775 3.646 0 40 CHAB CC(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 112275 FQAKRUVXOVCWMO-UHFFFAOYSA-N 265.662 3.953 0 40 CHAB O=C(Nc1cccc2ncccc12)c1ccc(F)cc1F 7757894 GSHHCDMLQORQHL-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(N)ccc1C 19736097 GEGSFFUESWSSGQ-KRWDZBQOSA-N 298.386 3.682 0 40 CHAB Cc1cccc(C)c1OCCSc1ccc(Cl)nn1 71892796 CYHSEUGYJLILTD-UHFFFAOYSA-N 294.807 3.918 0 40 CHAB COc1ccc(-c2n[nH]c(SC3CCCC3)n2)cc1 83950108 PKADUATXMOGRLF-UHFFFAOYSA-N 275.377 3.515 0 40 CHAB CCOc1ccc(CNC(CC)CC)cc1OCC 96969880 RJGNGOSJVLCQHD-UHFFFAOYSA-N 265.397 3.762 0 40 CHAB COc1cc(C(=O)CCC2CCCC2)ccc1F 305897772 RNIBIXGNMGHIFX-UHFFFAOYSA-N 250.313 3.987 0 40 CHAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(N)cc1 37768690 YQNGBQOSAFMRFG-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB O=C(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1 30163252 VTFQOTAGKSJSHR-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB c1ccc(CN2CCC[C@H]2c2cccnc2NC2CC2)cc1 72213708 FWJCJBGEVSBMHG-SFHVURJKSA-N 293.414 3.993 0 40 CHAB CC[C@H](O)c1ccc(SC2CCCCC2)nc1 72225721 BXRUAZOWDZTUKQ-ZDUSSCGKSA-N 251.395 3.950 0 40 CHAB Cc1cc(C)cc(C(=O)c2ccc(C3OCCO3)s2)c1 43210455 MXAIVQIIHJSLNN-UHFFFAOYSA-N 288.368 3.641 0 40 CHAB CC(C)CNCCc1c[nH]c2ccc(Br)cc12 95097455 WWAAXUULUFRROS-UHFFFAOYSA-N 295.224 3.719 0 40 CHAB O=C(Cc1ccccc1)c1sccc1Br 82614004 PNXLQPHOXKQTRD-UHFFFAOYSA-N 281.174 3.936 0 40 CHAB Cc1cccc(C(=O)c2ccc(N(C)C)cc2)c1C 95916764 QHVCQCKTJWJKLY-UHFFFAOYSA-N 253.345 3.600 0 40 CHAB CCc1c(C(C)C)[nH]c2ccc(Br)cc2c1=O 685937943 CKYZOFAAJBJZRW-UHFFFAOYSA-N 294.192 3.976 0 40 CHAB CCCC(=O)Nc1ccc(-c2ccc(N)cc2)cc1 19075644 FERQZLCVMWONBH-UHFFFAOYSA-N 254.333 3.674 0 40 CHAB Cc1cc(F)ccc1S(=O)(=O)NC1CCCCCCC1 225596269 SRXHXEUAAHJBLN-UHFFFAOYSA-N 299.411 3.525 0 40 CHAB Cc1nc(Nc2ccccc2F)cc(C(F)F)n1 1888879461 GNTPBYJWBRCEDR-UHFFFAOYSA-N 253.227 3.605 0 40 CHAB CC1(C)CC[C@H](N)c2cc(Br)ccc21 215073974 DALZLKLFWGJOQV-NSHDSACASA-N 254.171 3.520 0 40 CHAB BrC1=NO[C@@H]2c3cccc4cccc(c34)[C@H]12 5767899 MELXZMFYUDZEJV-NWDGAFQWSA-N 274.117 3.717 0 40 CHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 5865972 YWNCDTCUCQZPCJ-AWEZNQCLSA-N 297.354 3.604 0 40 CHAB Cc1ccc(SCC(=O)N(C)c2ccccc2)cc1 13596114 LJLYOYIKKKVVSB-UHFFFAOYSA-N 271.385 3.750 0 40 CHAB Cc1ccsc1CN(Cc1cccs1)C[C@@H](C)O 13991346 LAEMBVJICWTPIR-GFCCVEGCSA-N 281.446 3.501 0 40 CHAB Cc1ncc(C(=O)Nc2cccc(Cl)c2Cl)c(C)n1 19936961 ZXHZTHCAYCNCMH-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB CCc1cccc(NC(=O)/C=C/c2ccccc2OC)c1 3473336 VDTBGNNACDPLIE-VAWYXSNFSA-N 281.355 3.910 0 40 CHAB CO[C@@H](CNc1nc2ccccc2o1)c1ccccc1C 1775970216 HMVKZGLDNOWODS-INIZCTEOSA-N 282.343 3.936 0 40 CHAB CCCC(CCC)C(=O)c1ccc(C(=O)OCC)o1 575361964 WBVHQZLFRONIHJ-UHFFFAOYSA-N 266.337 3.855 0 40 CHAB CC(C)OCCCNc1nc(=S)[nH]c2ccccc12 2932951 PKTMNRJVAGZWPG-UHFFFAOYSA-N 277.393 3.519 0 40 CHAB C[C@H](NC(=O)c1cccnc1S)c1ccc(Cl)s1 30015783 VKPSZJFWBMMZPU-ZETCQYMHSA-N 298.820 3.576 0 40 CHAB Cc1nc(-c2ccccc2)nc2c1[C@@H]1[C@H](C2)C1(C)C 237575 VVZNGIWLPQQXHU-WFASDCNBSA-N 250.345 3.748 0 40 CHAB biogenic O=C(c1ccco1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32124318 MNGPNWLLGULWMI-UHFFFAOYSA-N 280.327 3.566 0 40 CHAB biogenic O=C(c1cc(Cl)ccn1)N1CCC[C@@H]2CCCC[C@@H]21 32731052 YLMNECIKGRFTAK-FZMZJTMJSA-N 278.783 3.530 0 40 CHAB CCOC(=O)[C@H](C)N1Cc2ccccc2-c2ccccc2C1 60361228 BODAECSMYHHFAH-AWEZNQCLSA-N 295.382 3.621 0 40 CHAB O=C(O)/C=C/c1ccccc1OCc1ccccc1F 11994676 HDSRBPDJNIYSLO-MDZDMXLPSA-N 272.275 3.503 0 40 CHAB C[C@H]1CCCN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C1 352016 UIMQZAVFCDNWAF-UMNHJUIQSA-N 290.234 3.836 0 40 CHAB COc1ccc2c(c1)C(=O)C[C@H](c1ccc(C)cc1)O2 489453 MVTYGNSQNJHOGL-QGZVFWFLSA-N 268.312 3.710 0 40 CHAB biogenic CCN(CCOC)[C@@H](C(=O)c1ccccc1)c1ccccc1 1594047 BHIVVVJYEAFBIB-GOSISDBHSA-N 297.398 3.579 0 40 CHAB CC[C@H](C)OC(=O)c1ccccc1C(=O)O[C@@H](C)CC 1694750 HAPGVMADJBQOGC-RYUDHWBXSA-N 278.348 3.597 0 40 CHAB Cc1noc(C)c1C(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 78874437 DOHCZYAKUJLAOO-PVXIVEMSSA-N 298.386 3.698 0 40 CHAB O=C(CNc1ccc(F)cc1)Nc1ccc(Cl)cc1 7971663 HCWWPOIOTOXDDU-UHFFFAOYSA-N 278.714 3.530 0 40 CHAB CCN(C(C)=O)[C@@H](c1cccnc1)c1cc(C)cc(C)c1 69777217 HTGFHVBMSXXWPC-SFHVURJKSA-N 282.387 3.656 0 40 CHAB CN(C)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O 8649758 ASVMZPXNVUVRKG-UHFFFAOYSA-N 290.366 3.775 0 40 CHAB CC(C)[C@H](C)[S@@](=O)Cc1ncc(Cl)cc1Cl 97148235 RTQCOHWWEMIGQO-ZKANADHPSA-N 280.220 3.682 0 40 CHAB Cc1cc(OCC[C@H]2CCCNC2)cc(C)c1Cl 42772960 VXDXFCFJOMHODC-CYBMUJFWSA-N 267.800 3.725 0 40 CHAB Cn1cc([C@@H](OC(=O)C2CC2)C(F)(F)F)c2ccccc21 1399174 IDMIFTNWHWKWTP-CYBMUJFWSA-N 297.276 3.735 0 40 CHAB CC(=O)CCSc1ccccc1Br 35044989 NQWUMUWJGCYREL-UHFFFAOYSA-N 259.168 3.520 0 40 CHAB CCc1cccc(CC)c1NC(=S)N[C@@H](C)CC 35082037 SVRARWXEFNZPMJ-NSHDSACASA-N 264.438 3.896 0 40 CHAB Cc1ncc(CNCCCc2c[nH]c3ccccc23)s1 107714168 ZWGQJGVIFWFMAD-UHFFFAOYSA-N 285.416 3.655 0 40 CHAB Cc1nc(Cl)cc(N2CC[C@H]2c2ccccc2F)n1 72313857 XEJMAJRYLLLAQI-LBPRGKRZSA-N 277.730 3.529 0 40 CHAB C[C@H](C1CC1)N(C)CC(=O)Nc1cccc2ccccc12 58368366 AKYPDZSMRHUDOV-CYBMUJFWSA-N 282.387 3.509 0 40 CHAB CC(C)Oc1ccc(C(=O)c2ccc(Cl)nc2)cc1 45038764 YXABLKYEZGHTGO-UHFFFAOYSA-N 275.735 3.753 0 40 CHAB O=C(CCc1ccsc1)Nc1cccc(-c2cnco2)c1 48205164 KOSSLGCWPYYQHT-UHFFFAOYSA-N 298.367 3.974 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Cc2csc(C(C)C)n2)o1 36397917 FSIXXWDHIJLOPN-LLVKDONJSA-N 292.404 3.588 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccccc2F)c(Cl)c1 3322608 OILMQZSPXUCKDT-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB CC(C)(C)C1CCC2(CC1)NC(=O)c1ccccc1N2 2550132 VIUNZUHKIQPEMR-UHFFFAOYSA-N 272.392 3.775 0 40 CHAB Cc1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)co1 13019872 ACSSHLHOWINQSC-UHFFFAOYSA-N 292.338 3.831 0 40 CHAB O=C(NCc1ccccc1)c1cc2cc(Cl)ccc2[nH]1 4691460 YEMVVFFCUOHNBH-UHFFFAOYSA-N 284.746 3.751 0 40 CHAB O=C(N[C@H]1C[C@H]1c1ccccc1)C1(c2ccccc2)CCC1 67512951 BXLLLBZWPBCJGF-ROUUACIJSA-N 291.394 3.781 0 40 CHAB CCc1ccc2nc(NC(=O)c3ccncc3)sc2c1 7758466 FSIAEBMKFLRIEH-UHFFFAOYSA-N 283.356 3.506 0 40 CHAB Cc1ccc(C)c(NC(=O)Cc2noc3ccccc23)c1 8007102 YUVRUXKZVICLEW-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(N)c1 19735979 WNSHCXMPEZYEMF-ZDUSSCGKSA-N 298.386 3.800 0 40 CHAB CC[C@H](C)[C@@H](C(=O)NCc1nccs1)c1ccccc1 96408384 ACYFJOLDPMOSDK-SWLSCSKDSA-N 288.416 3.589 0 40 CHAB Cc1noc([C@H](C)[S@](=O)Cc2ccc(C(C)C)cc2)n1 71887988 QPRFOQXPWZDOBH-YBTHPKLGSA-N 292.404 3.511 0 40 CHAB CCCCC(=O)N[C@@H](C)c1cc2cccc(OC)c2o1 25139267 FSZIKQLLMVFONY-NSHDSACASA-N 275.348 3.809 0 40 CHAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1C[C@@H]1C1CC1 89807771 YQLYYWPQTOHMDG-CVEARBPZSA-N 277.367 3.923 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)c1)OCC(F)(F)F 32628851 GPEOZDBOTBZPFU-UHFFFAOYSA-N 287.159 3.816 0 40 CHAB Clc1cccnc1-c1ccc(Br)cn1 38575731 OMUBOIMHNMNKLG-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB c1ccc(CSc2n[nH]c(COc3ccccc3)n2)cc1 409386043 QQUJDYIJXPZFGW-UHFFFAOYSA-N 297.383 3.676 0 40 CHAB CCC(=O)c1cnc(N(C)Cc2ccccc2)cc1C 72223393 KJEADNJROYXOEH-UHFFFAOYSA-N 268.360 3.619 0 40 CHAB Cc1ccc(CNC(=O)c2sc(C(C)C)nc2C)cc1 32924087 PDJKAUWEKCTNDM-UHFFFAOYSA-N 288.416 3.813 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)C(C)C 225217941 VOMVGIXNNLTEMI-HUUCEWRRSA-N 277.408 3.622 0 40 CHAB O=C(c1ccco1)N1CCC[C@@H](c2cc(F)ccc2F)C1 190285063 GBKUQWJYVOUOOC-LLVKDONJSA-N 291.297 3.578 0 40 CHAB Cc1ccc(C)c(-c2noc(-c3ccccc3N)n2)c1 89262345 MTXXZLXSZJOUDG-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB Cc1ccc([C@H](C)NCCCc2c(C)noc2C)cc1 95423669 KHKBYMOIQGQANP-ZDUSSCGKSA-N 272.392 3.883 0 40 CHAB CC(=O)N(CC(C)C)c1ccc(Br)s1 96102447 UYXHUSPUPNOBBD-UHFFFAOYSA-N 276.199 3.520 0 40 CHAB CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1cccs1 95946432 ADJOSQANQWOIQI-AWEZNQCLSA-N 288.347 3.585 0 40 CHAB COc1ccc(C(=O)C(F)(F)Br)c(Cl)c1 389313159 CSIIHFJWAILHCO-UHFFFAOYSA-N 299.498 3.519 0 40 CHAB Cc1ccc([C@H](O)CN2CCCc3cc(C)ccc32)cc1 44124504 VHZGOYZJWHBMNQ-LJQANCHMSA-N 281.399 3.790 0 40 CHAB CC(=O)c1ccc(Oc2ccc(N(C)C)cc2)cc1 575408795 QRRHYZBXANGMEY-UHFFFAOYSA-N 255.317 3.748 0 40 CHAB CCc1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 5295056 MKULMTVVRIUROQ-UHFFFAOYSA-N 291.297 3.545 0 40 CHAB Cc1ccccc1C(=O)N(C)c1ccc(N2CCCC2)cc1 13671009 KFZNLVKRONDVPX-UHFFFAOYSA-N 294.398 3.872 0 40 CHAB Nc1ccc2nc(-c3cccc(Br)c3)[nH]c2c1 19484508 HMTPLEHTPIUWGF-UHFFFAOYSA-N 288.148 3.575 0 40 CHAB Cc1ccc(NC(=O)C2(c3ccc(N)cc3)CC2)c(C)c1 158760103 ARSMRYNBNDFLLA-UHFFFAOYSA-N 280.371 3.556 0 40 CHAB Cc1nc2cc(NC(=O)N3CCCCCC3)ccc2o1 157801748 DKBPCSTUJMGVGO-UHFFFAOYSA-N 273.336 3.544 0 40 CHAB COc1cc(CNc2ccc(C)c(C)c2)ccc1O 19920056 QICWLJAYJGZUCD-UHFFFAOYSA-N 257.333 3.630 0 40 CHAB CC(=O)c1sc(=S)n(-c2ccc(N(C)C)cc2)c1C 1455198 JQDSSDACJGABAN-UHFFFAOYSA-N 292.429 3.845 0 40 CHAB CSCc1nnc(SCc2cc(C)ccc2C)o1 40023664 QQSFIVGNMJBRHO-UHFFFAOYSA-N 280.418 3.842 0 40 CHAB COc1ccc(-c2csc(C3(N)CCCC3)n2)cc1 41164162 CBZDBSALHXMFMT-UHFFFAOYSA-N 274.389 3.547 0 40 CHAB Cc1ccc(-c2ccc(C=O)o2)cc1Br 8732337 BINLMVWCDNZMCN-UHFFFAOYSA-N 265.106 3.830 0 40 CHAB Cc1ccc(C)c(CN2C(=O)[C@@H](C)Oc3ccc(C)cc32)c1 1328410 DSYPIEILNKNBHR-OAHLLOKOSA-N 295.382 3.926 0 40 CHAB O=C1c2cc3c(cc2CC12Cc1ccccc1C2)CCC3 1855375 FEXYVUNMWNDRKJ-UHFFFAOYSA-N 274.363 3.699 0 40 CHAB O=C(Cc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 2746878 TZOMOLPLLADNLT-UHFFFAOYSA-N 294.181 3.852 0 40 CHAB O=C(NCc1ccccc1)C12CC3C[C@@H](CC[C@H](C3)C1)C2 3129334 LIYKNPGBTGRXQK-HNXFYBAISA-N 283.415 3.909 0 40 CHAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(Cl)c1 6321562 GYHDHQRBABUUEI-QJPTWQEYSA-N 278.783 3.898 0 40 CHAB CCC[C@H](C)NC(=O)CSc1ccc(Cl)cc1 6324959 TXOLHHJLEVMIIA-JTQLQIEISA-N 271.813 3.737 0 40 CHAB CC[C@@H](C)c1ccc(NC(=S)NC(C)C)cc1 7518377 XOBZJQQQPCTCGU-LLVKDONJSA-N 250.411 3.895 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccccc2C)cc1 10335147 IRZLQYMYSCZEMH-UHFFFAOYSA-N 253.345 3.875 0 40 CHAB CCc1ccc(NC(=O)[C@@H](CC)n2cc(Cl)cn2)cc1 2805331 SIFSZMKJMNMJMI-CQSZACIVSA-N 291.782 3.689 0 40 CHAB Cc1ccc(CNC(=O)c2cccc(-n3cccc3)c2)cc1 8428340 RDBGOOJMPGDLTQ-UHFFFAOYSA-N 290.366 3.716 0 40 CHAB CCN(CC)C(=O)c1cccc2c3c([nH]c12)CCCC3 24745717 PMOIDGGSGKQRIA-UHFFFAOYSA-N 270.376 3.529 0 40 CHAB Cc1cc(C(F)(F)F)n2ncc(-c3ccc(F)cc3)c2n1 1386227 YGKPGZHKZHIYKA-UHFFFAOYSA-N 295.239 3.863 0 40 CHAB Cn1cccc1C(=O)COc1ccccc1-c1ccccc1 25214577 FUZQJQPELIJYSG-UHFFFAOYSA-N 291.350 3.954 0 40 CHAB CC(=O)c1cc(C)ccc1OC(=O)c1ccccc1C 1506270 DUTJMSUCLRYZOV-UHFFFAOYSA-N 268.312 3.725 0 40 CHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCCC1 113951113 IJZQWMXSKZPJRX-KRWDZBQOSA-N 283.371 3.620 0 40 CHAB COc1ccc(-c2cc(NC(=O)C3CC3)ccc2OC)cc1 12698127 TWAHMQPRPBZTNB-UHFFFAOYSA-N 297.354 3.719 0 40 CHAB CCc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 28210580 XZLVDTQLGHFGOV-UHFFFAOYSA-N 279.261 3.919 0 40 CHAB O=C(c1cc(Cl)ccn1)N1CCC[C@H]1c1ccsc1 37990762 XMVNVMWGBUYJQW-ZDUSSCGKSA-N 292.791 3.774 0 40 CHAB O=C(c1ccc(CN2CC=CC2)cc1)c1cc(F)cc(F)c1 2514924 VISMMMDZJUNXRB-UHFFFAOYSA-N 299.320 3.568 0 40 CHAB COCc1ccc(C(=O)Nc2cccc3ncccc23)cc1 12869586 OOSMDMUUXQULJJ-UHFFFAOYSA-N 292.338 3.634 0 40 CHAB O=C(O)c1ccccc1CSc1nc2ccccc2o1 3887506 UIUXINYILGLYBR-UHFFFAOYSA-N 285.324 3.818 0 40 CHAB CCCc1ccc([C@@H](C)NC(=O)N[C@H](C)CC)cc1 13746365 ISMKBXUHUYUQHT-CHWSQXEVSA-N 262.397 3.798 0 40 CHAB Cc1ccc2c(CC(=O)Nc3cccc(O)c3)coc2c1C 14202359 AEMGZLCETFWHPM-UHFFFAOYSA-N 295.338 3.936 0 40 CHAB Cc1[nH]c2ccccc2c1C1N2CC3(C)CN1CC(C)(C2)C3 19324173 UOQLIDJBJCBERP-UHFFFAOYSA-N 295.430 3.522 0 40 CHAB Nc1ccc(OCc2ccccc2)cc1C(F)(F)F 14630316 ZOHOKXVMEHZESX-UHFFFAOYSA-N 267.250 3.867 0 40 CHAB Cc1ccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)cc1 7424891 JDXRMPSYPUUTLJ-UHFFFAOYSA-N 292.298 3.695 0 40 CHAB CCOc1ccc(C(=O)N(C)Cc2ccc(C)s2)cc1 71794720 AGISAAVWSDBHOT-UHFFFAOYSA-N 289.400 3.727 0 40 CHAB CC/C=C(\C)C(=O)N[C@@H](C)c1cc(C)sc1C 97086662 VATMLERPFKYNQL-DJYGCBNOSA-N 251.395 3.898 0 40 CHAB COC[C@H](C)S[C@H](C)c1ncc(C(C)(C)C)o1 85228770 NRDRGRZXSBORDW-VHSXEESVSA-N 257.399 3.801 0 40 CHAB Cc1nnc(CS[C@@H](C)CCc2ccccc2)o1 95965639 KXAMLAKLPMDTDA-NSHDSACASA-N 262.378 3.633 0 40 CHAB Cc1nc2ccc(NC(=S)N3CCCCC3)cc2s1 408978903 OKSGQAUANJDWCJ-UHFFFAOYSA-N 291.445 3.787 0 40 CHAB N[C@H](c1ccccc1)c1ccc(N2CCCCCC2)nc1 72225479 NUQLBPUUHBXNEG-GOSISDBHSA-N 281.403 3.510 0 40 CHAB COc1ncc([C@@H]2CCCN2Cc2ccccc2)cc1C 72217710 VKFCCANMAIBERQ-KRWDZBQOSA-N 282.387 3.736 0 40 CHAB Cc1cc(C)c(OCC[C@@H]2CCCCN2)c(Cl)c1 42770729 FYJQSKLCMUVITR-ZDUSSCGKSA-N 267.800 3.868 0 40 CHAB O=C(CC1CCCCC1)c1ccc(C2OCCO2)s1 43210370 LQMJITURPYSHNA-UHFFFAOYSA-N 280.389 3.947 0 40 CHAB CCCNC(=O)c1ccc(Nc2cc(C)ccc2C)c(N)c1 225418762 RDLQOLOZVRVFPV-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@@H](C)C(=O)O 223191283 AQUBNLIEFUUUMI-NEPJUHHUSA-N 261.365 3.560 0 40 CHAB Cc1ccc(-n2ncc3c(Cl)nc(Cl)nc32)c(C)c1 228953137 FUWSAXSVNBQNDV-UHFFFAOYSA-N 293.157 3.739 0 40 CHAB Cc1ccc(C(=O)c2ccc(N(C)C)cc2)cc1Cl 95916419 AQZJUPGMJNSDBB-UHFFFAOYSA-N 273.763 3.945 0 40 CHAB C[C@H]1CC[C@H]1COc1ccccc1Br 96526372 LZCBTBCGABMWER-UWVGGRQHSA-N 255.155 3.874 0 40 CHAB COc1cccc(NC(=O)CCc2ccc(C)c(C)c2)c1 96621630 NLTLCYQIULGUFH-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1 96586369 XBBFOCKSQOLDGE-AWEZNQCLSA-N 295.382 3.971 0 40 CHAB CC(C)c1noc([C@@H](C)N2CCC[C@H](C(F)(F)F)C2)n1 65564121 UPGXEIVQFSTFLM-ZJUUUORDSA-N 291.317 3.528 0 40 CHAB COc1cccc2oc(=O)c(-c3ccccc3)c(C)c12 58050 UDWDTILHLNHXHN-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB biogenic Cc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 13710375 SMMGUQUPISJDQD-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB O=c1c(Oc2ccc(Cl)cc2)coc2cc(O)ccc12 5731152 BIWKGGSODHYGIP-UHFFFAOYSA-N 288.686 3.944 0 40 CHAB biogenic,in-vitro O=C(O)c1cccc(CSc2nc3ccccc3[nH]2)c1 11851227 DHPFBNVNMDDIOZ-UHFFFAOYSA-N 284.340 3.553 0 40 CHAB COc1ccc(NC(=S)Nc2ccccc2)cc1F 44194768 SKUIOJHGJBWMKN-UHFFFAOYSA-N 276.336 3.643 0 40 CHAB CC(=O)c1ccc(NC(=O)C2[C@@H]3CCC=CCC[C@@H]23)cc1 51762 JXZJEKZWRPLWPV-HZPDHXFCSA-N 283.371 3.820 0 40 CHAB Nc1nc2c(Cl)cc(Cl)c(Cl)c2s1 20432680 MNEHTPKJBMOSHD-UHFFFAOYSA-N 253.541 3.839 0 40 CHAB CCCC(=O)Nc1nc2ccc(Br)cc2s1 368823 DWTOZOIIMWZCPS-UHFFFAOYSA-N 299.193 3.797 0 40 CHAB Cc1ccsc1C(=O)Nc1ccc(F)c(F)c1F 2625051 XNPDVVBETGDZSV-UHFFFAOYSA-N 271.263 3.726 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 78810381 YSNJGSWONCSSCO-ZDUSSCGKSA-N 287.363 3.635 0 40 CHAB Cc1cccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 3368704 KFLVYFFTQAKEED-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB CC(C)n1nccc1NC(=O)c1ccc(Cl)cc1F 22292440 HTEUJPJGJBMEJZ-UHFFFAOYSA-N 281.718 3.509 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4C=C[C@H]3[C@@H]1CC[C@@H]2O 4726844 VVLCELUSWGWMSW-ZBRFXRBCSA-N 270.372 3.690 0 40 CHAB in-vitro Sc1nc2ccccc2nc1NCc1ccccc1 6096370 AWDIORUIMLLPTA-UHFFFAOYSA-N 267.357 3.531 0 40 CHAB Cc1ccc(-c2[nH]ncc2CNCc2ccccc2)cc1C 819506 STCAESDRZUMVEB-UHFFFAOYSA-N 291.398 3.983 0 40 CHAB c1cnc2c(CSc3nnc4ccccn34)cccc2c1 3166673 RRNSTUFIIUOCJZ-UHFFFAOYSA-N 292.367 3.570 0 40 CHAB CCc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)o1 24916524 KQKNEQRXJDDBLT-JTQLQIEISA-N 275.373 3.663 0 40 CHAB c1nc(N2CC[C@H]3CCCC[C@H]3C2)c2sccc2n1 106554599 WGDCDQFDPIRWKE-NEPJUHHUSA-N 273.405 3.708 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)o1 107900742 GZIDGWCEDDCBQF-HVANRXBWSA-N 273.376 3.542 0 40 CHAB CC(C)[C@@H](NC(=O)NC1CCCC1)c1ccc(F)cc1 10036182 KTLKHSBAKIJORY-OAHLLOKOSA-N 278.371 3.765 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccnn1C1CCCCC1 58172995 CFVFFMQDMOLJME-CMDGGOBGSA-N 285.347 3.633 0 40 CHAB O=C(C1CCCC1)N1CCC[C@H]1c1ccc(F)cc1 55531808 OHLMSJSATGLRGU-HNNXBMFYSA-N 261.340 3.679 0 40 CHAB Cc1ccncc1C(=O)c1ccc(Cl)c(Cl)c1 45029034 XZLBJOLWUYDYIY-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CCCCN1C(=O)N(c2ccccc2)[C@@](C)(O)CC1(C)C 2271044 XEDKULSOWNZTTD-KRWDZBQOSA-N 290.407 3.606 0 40 CHAB CN(Cc1ccccc1)C(=O)c1ccccc1C(F)(F)F 28210662 SGVDNTYGEWZMGQ-UHFFFAOYSA-N 293.288 3.978 0 40 CHAB CCCN(CCC)Cc1nnc(-c2cccc(C)c2)o1 62639733 ZJHQMNQIDQCQIQ-UHFFFAOYSA-N 273.380 3.667 0 40 CHAB CCC(CC)NC(=O)Cc1csc(-c2ccsc2)n1 8777827 KOPSIGGRTPJJFY-UHFFFAOYSA-N 294.445 3.719 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2cccnc2)cc1C 13744306 RAOROEYPIZGYBO-ZDUSSCGKSA-N 269.348 3.581 0 40 CHAB C[C@@H](NC(=O)c1ccccc1)c1cccc(Cl)c1 6335746 DTNNIIHWRJIEMA-LLVKDONJSA-N 259.736 3.831 0 40 CHAB Cc1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1 14241294 YRYFQXDUMYOCJQ-AWEZNQCLSA-N 268.360 3.920 0 40 CHAB Cc1cccc(OCc2nc3cc(F)ccc3[nH]2)c1 15833461 LYXPHVSRVDIYOQ-UHFFFAOYSA-N 256.280 3.589 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N)cc1C 19736391 CIFQRICBMHJENL-KRWDZBQOSA-N 298.386 3.682 0 40 CHAB COc1cc(CN(Cc2cccc(C)c2)C2CC2)ccc1O 97022362 QACKBAIVKBUSLE-UHFFFAOYSA-N 297.398 3.874 0 40 CHAB C[C@@H](c1ccco1)N(C(=O)N[C@H](C)c1ccccn1)C1CC1 86339991 RHBMPILTYFOJOF-OLZOCXBDSA-N 299.374 3.671 0 40 CHAB COc1cccc2cc(C(=O)N(C)C3CCCCC3)oc12 30872851 FJTSWOOOBXDJTK-UHFFFAOYSA-N 287.359 3.846 0 40 CHAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(F)cc1 216954227 GTAKTBICIUOGPS-UHFFFAOYSA-N 281.286 3.590 0 40 CHAB COc1cccc(C[S@@](=O)[C@H](C)c2ccc(F)cc2)c1 78556273 CROJLQIRSROQEA-ODXCJYRJSA-N 292.375 3.844 0 40 CHAB CNc1cc(C)c([C@H]2CCCN2Cc2ccccc2)cn1 72219030 JIKHSVKCPHDXPW-QGZVFWFLSA-N 281.403 3.769 0 40 CHAB c1ccc(Oc2ccc(C3=NCCCC3)cn2)cc1 72212150 RUCQDEXGNZTHKO-UHFFFAOYSA-N 252.317 3.847 0 40 CHAB CCC(C)(C)NC(=O)c1csc(Cc2ccccc2)n1 32967735 YZGHSMUXZNVKQJ-UHFFFAOYSA-N 288.416 3.652 0 40 CHAB Cc1cc(C)c(OCC[C@H]2CCCCN2)c(Cl)c1 42770733 FYJQSKLCMUVITR-CYBMUJFWSA-N 267.800 3.868 0 40 CHAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccc(C)cc1 80345301 SHAUWSCZZMIGJS-KRWDZBQOSA-N 297.398 3.891 0 40 CHAB Cc1cccc(NC(=S)N[C@H](C)c2ccccc2C)n1 225755212 GLJPEEJHFVQXND-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB CC(C)Cn1cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)cn1 190961840 ISQFHBMCRJDFAO-CRAIPNDOSA-N 298.434 3.517 0 40 CHAB Cc1nc(CC(C)C)oc1C(=O)N1CCCCC[C@@H]1C 225603484 RNQPVGNSCJJWFL-LBPRGKRZSA-N 278.396 3.586 0 40 CHAB C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(Cl)s2)[nH]n1 194586424 NULWPTOXIOSGBM-BQBZGAKWSA-N 281.768 3.500 0 40 CHAB Cc1cnc(CN2CCC(c3ccc(F)cc3)CC2)o1 98018970 JLGZTOFKUAJGPM-UHFFFAOYSA-N 274.339 3.502 0 40 CHAB c1ccc(-c2cc(-c3nc4ccccc4[nH]3)on2)cc1 96319435 YKQLYJFAEIWNEX-UHFFFAOYSA-N 261.284 3.885 0 40 CHAB C[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 96026218 NZWWWQHUDNCALR-CQSZACIVSA-N 257.377 3.797 0 40 CHAB Cc1ccoc1C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 96461657 HMYQOPMBOHYFDS-AWEZNQCLSA-N 298.386 3.679 0 40 CHAB CC(C)(CC(=O)O)CC(=O)c1ccc(OC(C)(C)C)cc1 95633972 HCNURUFAKDJKBG-UHFFFAOYSA-N 292.375 3.938 0 40 CHAB Cc1ccc([C@@H](C)C(=O)Nc2cncc(Cl)c2C)o1 833142116 OAZGZKLKFORCFH-SNVBAGLBSA-N 278.739 3.687 0 40 CHAB N[C@H](Cc1ccncc1)c1ccc(Cl)c(Cl)c1 53147430 QUBVJHGOAHVZSB-CYBMUJFWSA-N 267.159 3.631 0 40 CHAB CC(C)[C@@H](NCC(N)=O)c1ccc(C2CCCCC2)cc1 57364671 VFTLAMUROCIDIA-GOSISDBHSA-N 288.435 3.506 0 40 CHAB Nc1nc(C(=O)c2ccccc2)c(-c2ccccc2)s1 5395152 JAWMKHVPLLQZHX-UHFFFAOYSA-N 280.352 3.623 0 40 CHAB SC1=NC2(CCCCCC2)N=C1c1ccccc1 13573806 KNGBLBDKBOVJCL-UHFFFAOYSA-N 258.390 3.868 0 40 CHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)(C)C 14221636 BCRVUOFXNRJFSC-LBPRGKRZSA-N 291.416 3.553 0 40 CHAB O=C(Nc1ccc(S)cc1)c1cc(F)cc(F)c1 16428499 KYEDBHFOTBXHQI-UHFFFAOYSA-N 265.284 3.506 0 40 CHAB CCOC(=O)C/C(C(=O)O)=C(\C)c1ccc2ccccc2c1 16956363 NWVIFFYUDLSGPX-VBKFSLOCSA-N 298.338 3.651 0 40 CHAB Clc1snnc1CSc1nc2ccccc2o1 29995056 ATNCZBAHXJUFCD-UHFFFAOYSA-N 283.765 3.625 0 40 CHAB C[C@H](NC(=O)Cc1cccs1)c1ccc(Cl)s1 32039121 DTKDSRBBZKNTJE-QMMMGPOBSA-N 285.821 3.883 0 40 CHAB Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 151000 SOWSQQBRDSHMRV-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CO[C@H](CNc1ncnc2ccsc12)c1ccsc1 1775972465 HMPGGZPTSRWHHZ-LLVKDONJSA-N 291.401 3.552 0 40 CHAB Cc1ccc(C(=O)COc2ccccc2)c(Cl)c1 575242815 JYKXHRUKGXQCLD-UHFFFAOYSA-N 260.720 3.910 0 40 CHAB CSc1ccc([C@H](C)NC(=O)/C=C/c2ccco2)cc1 20030336 TXSHIFMWAJMICI-PMDBQALLSA-N 287.384 3.892 0 40 CHAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccncc1 31245372 HFTBQRSAWSBEIX-UHFFFAOYSA-N 282.343 3.655 0 40 CHAB CC(C)OCCCNC(=O)N[C@@H](C)c1ccccc1Cl 32795186 QBQSUSPSVJXRPK-LBPRGKRZSA-N 298.814 3.515 0 40 CHAB C[C@@H]1[C@@H](OC(=O)c2cccnc2Cl)C[C@H]2C[C@H]1C2(C)C 102597268 IJHZKXKTULKZJV-YGNMPJRFSA-N 293.794 3.963 0 40 CHAB Cc1csc(S[C@@H](C)c2nc(-c3ccco3)no2)n1 29739076 RPVPTZAYRLXWHB-QMMMGPOBSA-N 293.373 3.948 0 40 CHAB CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccccn3)cc21 117838 RTRNOAZNGNPBCQ-UHFFFAOYSA-N 294.354 3.908 0 40 CHAB CCCc1ccc(-c2nc(-c3cccnc3)no2)cc1 238225 QANODCMLMWCELA-UHFFFAOYSA-N 265.316 3.751 0 40 CHAB COc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1 262211 FGFJBRRAYLIEFR-UHFFFAOYSA-N 299.370 3.982 0 40 CHAB Cc1n[nH]c(C)c1CCOc1ccc(C(C)C)cc1 340893 JRIKLERLKODIGN-UHFFFAOYSA-N 258.365 3.771 0 40 CHAB Cc1ccc(OC(=O)c2ccc(Br)o2)cc1C 341889 BILHANKGBGFWKY-UHFFFAOYSA-N 295.132 3.878 0 40 CHAB CC(C)CC(=O)Nc1nc2ccc(Cl)cc2s1 383536 XDKPWMNBGQKORT-UHFFFAOYSA-N 268.769 3.934 0 40 CHAB CCOc1ccc(-c2cnc3n2CCCCC3)cc1 497608 PALRXTFYFQKSTE-UHFFFAOYSA-N 256.349 3.675 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(F)cc1)C2 1452031 DWICXINJNFRVIU-DXCKQFNASA-N 275.367 3.770 0 40 CHAB O[C@H](c1ccccc1)c1cccc([C@H](O)c2ccccc2)c1 1622473 UZPMZQGSWBSPCX-WOJBJXKFSA-N 290.362 3.850 0 40 CHAB C[C@@H]1CC(C)(C)O[C@H](c2cc3c(cc2Cl)OCO3)O1 1670488 NZVOPUJOXFVYIA-AMIZOPFISA-N 284.739 3.671 0 40 CHAB C[C@@H]1CN(C(=O)Nc2ccccc2)C[C@H](c2ccccc2)O1 41421710 VVYIGKHXPGPMRQ-RHSMWYFYSA-N 296.370 3.681 0 40 CHAB CCC[C@@H]1O[C@@H](c2ccc(OC)cc2)OC[C@@H]1CC 4410474 VBKDECKJNITBRB-RCBQFDQVSA-N 264.365 3.936 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccc(OC(C)C)cc2)s1 6767530 YPOWYIIMRIYJHS-UHFFFAOYSA-N 290.388 3.799 0 40 CHAB Cc1cccc(NC(=O)CCc2ccccc2F)c1 8272161 YKGUNRCQRIGBKD-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB Cc1ccc(-c2n[nH]cc2CNC[C@H](C)c2ccccc2)o1 42907637 XLDQEWSCWIBPML-ZDUSSCGKSA-N 295.386 3.871 0 40 CHAB O=C(Nc1cc(Cl)ccc1Cl)c1ccoc1 24470932 ANEUPKJZORAZFT-UHFFFAOYSA-N 256.088 3.839 0 40 CHAB Cc1cccc(-c2noc(-c3ccc(Cl)nc3)n2)c1 1384995 SLRNRSJURNBOPB-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB COc1cccc(CNc2ncnc3cc(Cl)ccc23)c1 1392763 UYOOQSXCESVFKD-UHFFFAOYSA-N 299.761 3.904 0 40 CHAB CCN(CC)P(=O)(OCC(C)C)OCC(C)C 1742954 AKSQRHMOGFTYTP-UHFFFAOYSA-N 265.334 3.782 0 40 CHAB CC(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C)s1 57536050 XBHJEJALQSXQMV-SNVBAGLBSA-N 285.368 3.542 0 40 CHAB COc1cc2ccccc2cc1C(=O)O[C@H]1CCCCC1=O 3319859 USGNAZMWXGGNJS-INIZCTEOSA-N 298.338 3.517 0 40 CHAB COc1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1 2242939 ZWEVFMUYMLHYNO-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB COc1ccc(NC(=O)CNc2ccccc2C(C)C)cc1 11621488 ZBWPWOIYTFNOEL-UHFFFAOYSA-N 298.386 3.869 0 40 CHAB Cc1ccsc1C(=O)OCC(=O)c1c[nH]c2ccccc12 3421249 RXLFMBBLTJLBMQ-UHFFFAOYSA-N 299.351 3.578 0 40 CHAB CCCc1ccc([C@@H](C)NC(=O)N[C@@H](C)CC)cc1 13746361 ISMKBXUHUYUQHT-QWHCGFSZSA-N 262.397 3.798 0 40 CHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)no1 6789233 CNCDTTWRFXSCQH-UHFFFAOYSA-N 288.347 3.541 0 40 CHAB Cc1cc(N)ccc1NC(=O)c1ccccc1OCC(C)C 19736407 KKXCZDNTULQIBH-UHFFFAOYSA-N 298.386 3.864 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(N)cc2C)c1 19736386 PYGCLBYZWKCWMB-AWEZNQCLSA-N 298.386 3.600 0 40 CHAB O=C(Oc1ccccc1F)c1cc(-c2cccs2)on1 15669795 RJFCKZJRFXKDNQ-UHFFFAOYSA-N 289.287 3.761 0 40 CHAB Cc1ccc2nc(C)c(CN3CCC(C)CC3)c(O)c2c1 8691923 RMNBJXRELLDLJU-UHFFFAOYSA-N 284.403 3.789 0 40 CHAB O=C(Nc1cnn(-c2ccccc2)c1)C1CCCCCC1 72077269 CGJSQYVBPRGSMJ-UHFFFAOYSA-N 283.375 3.781 0 40 CHAB Cc1ccc([C@H](C)N[C@H](C)C[C@H](O)c2cccs2)o1 97022805 JHFUIFVJLHGYIY-WXHSDQCUSA-N 279.405 3.812 0 40 CHAB Cc1csc([C@H]2CCCCN2C(=O)CCC(C)C)n1 72232453 KNIIBLHIUWXTCQ-CYBMUJFWSA-N 280.437 3.941 0 40 CHAB CC(C)CC(=O)N[C@](C)(c1ccccc1)C(F)(F)F 95457260 XDFLKHOVSAIWIH-CYBMUJFWSA-N 273.298 3.626 0 40 CHAB Cc1nc(NC(=O)c2cccc(-n3cccc3)c2)sc1C 36353033 QXIFHBDNZGYPAM-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB C[C@]12CCCC[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)CCC[C@@H]12 123391595 TUAKQCBZMOACQA-PFBISZLKSA-N 292.463 3.751 0 40 CHAB Cc1ccc(NC(=O)c2c(C)nc3ccc(C)cn23)c(C)c1 71459242 NMXDUTOYEKBBEM-UHFFFAOYSA-N 293.370 3.820 0 40 CHAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC1 38771937 FENVLIDBIUQGNR-CYBMUJFWSA-N 283.824 3.833 0 40 CHAB CN(C(=O)c1conc1-c1ccccc1)c1ccccc1 225870028 NVJOEVUERYOYEY-UHFFFAOYSA-N 278.311 3.618 0 40 CHAB CCC[n+]1cccc(-c2nc3cc(C)ccc3o2)c1 226774538 RSSLBHYSVPPBQP-UHFFFAOYSA-N 253.325 3.501 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(F)c(F)c2)c(C)c1 222690241 MQWRSMABGCYAFA-UHFFFAOYSA-N 275.298 3.763 0 40 CHAB O=C(NCCSC1CCCCC1)c1cccc(F)c1 224955275 WGUNEKMPGYLHGU-UHFFFAOYSA-N 281.396 3.621 0 40 CHAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1 48652400 KSAJJQWSDYRHJO-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB CC(C)n1cc([C@H](C)NC[C@@H](C)c2ccsc2)cn1 96478884 FJBLTJLVJXQILC-OLZOCXBDSA-N 277.437 3.980 0 40 CHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccco1 96231997 WMNANIODWFKXRV-CQSZACIVSA-N 298.317 3.707 0 40 CHAB CCCCCC[C@H](C)NC(=O)Nc1nccs1 43644439 GJMHBHGWNFPPDL-JTQLQIEISA-N 255.387 3.624 0 40 CHAB C[C@@H]1CC(C)(C)N([C@H](C)C(=O)O)c2cc(Cl)ccc21 260714026 AAVNLVMKVSUKBQ-NXEZZACHSA-N 281.783 3.905 0 40 CHAB COCOc1c(Cl)cc(Br)cc1Cl 1083800033 STUJXMVTXQEJGY-UHFFFAOYSA-N 285.952 3.739 0 40 CHAB COCCNc1nc(-c2cc(C)c(C)cc2C)cs1 3331108 MCZFKCBNXOFUEH-UHFFFAOYSA-N 276.405 3.794 0 40 CHAB CCCCCCOC(=O)N[C@H](C)CCCN(CC)CC 5523992 HVZIZJATIKUIKV-OAHLLOKOSA-N 286.460 3.803 0 40 CHAB O=C(Nc1ccc(F)cc1)c1cc2ccccc2[nH]1 7915404 LDIDKEQWFNKXRS-UHFFFAOYSA-N 254.264 3.559 0 40 CHAB Cc1ccc(SC2=CS(=O)(=O)c3ccccc32)cc1 16310920 DGKXLVXFSJXATM-UHFFFAOYSA-N 288.393 3.873 0 40 CHAB O=C(c1ccc(Cl)s1)C(F)(F)C(F)(F)F 236201114 SXZANIHRMBHKFB-UHFFFAOYSA-N 264.602 3.782 0 40 CHAB CC(C)CC(=O)c1c(F)cc(Br)cc1F 167759748 MBRKUBNDIZKSCU-UHFFFAOYSA-N 277.108 3.956 0 40 CHAB O[C@@H](c1cccc(F)c1)c1cc(F)cc(Cl)c1 4242372 RGBKGNVWRLEJTG-ZDUSSCGKSA-N 254.663 3.700 0 40 CHAB Cn1cccc1CNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 8534561 RWEQMTOXLAAIBO-JGAFYBCUSA-N 272.436 3.864 0 40 CHAB O[C@@H](c1cccc(F)c1)c1cccc(Br)c1 37465037 RWKNMZLQGZSYLL-CYBMUJFWSA-N 281.124 3.670 0 40 CHAB in-vitro CCOC(=O)c1sc(SC)cc1-c1cccnc1 26838377 TZUNHFITXLQYMU-UHFFFAOYSA-N 279.386 3.709 0 40 CHAB CCC(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 103536 YHRBMZRRZRZZSA-UHFFFAOYSA-N 289.404 3.851 0 40 CHAB Cn1c(-c2ccccc2)cs/c1=N\c1ccccc1 5749051 CYXROHQDZYCSOJ-MSUUIHNZSA-N 266.369 3.986 0 40 CHAB Cc1c(C(=O)Nc2cccc(F)c2)cnn1-c1ccccc1 384998 ISKJTOOAQYLOCI-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB Cc1csc(-c2ccc(NC(=O)N3CCCC3)cc2)n1 69879118 CPXYXCIQJUJMIZ-UHFFFAOYSA-N 287.388 3.746 0 40 CHAB Brc1ccc(-c2csc3nccn23)cc1 192232 LVDOGHLCDFUJNK-UHFFFAOYSA-N 279.162 3.825 0 40 CHAB Cc1cc2c(cc1C)CN(CCc1ccccc1)C2 6611620 NEHQDNVXJKNBAH-UHFFFAOYSA-N 251.373 3.862 0 40 CHAB C[C@H]1CCc2nc(NC(=O)/C=C/c3ccco3)sc2C1 6995048 LOVLPHJOMAYCGI-STUBTGCMSA-N 288.372 3.513 0 40 CHAB N[C@@H](CCOc1ccccc1)c1ccc(Cl)cc1 37658132 HYDLQNLHUATIDN-HNNXBMFYSA-N 261.752 3.809 0 40 CHAB in-vitro Cc1cc(SCc2c(F)cccc2Cl)ncn1 1286554 LJLMJQDCOJAIMZ-UHFFFAOYSA-N 268.744 3.870 0 40 CHAB COc1ccc(CN[C@@H](C)c2ccco2)cc1OC(F)F 35137067 KHOFHBMEGNDKAP-JTQLQIEISA-N 297.301 3.740 0 40 CHAB CCN(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 171400598 ALBYKESQCSLLDJ-UHFFFAOYSA-N 287.790 3.931 0 40 CHAB CC(=O)NCC[C@H]1[C@@H](c2c(C)n(C)c3ccccc23)C1(C)C 2109184 BGICSBMBQSLWQY-YJBOKZPZSA-N 298.430 3.753 0 40 CHAB biogenic Cc1cc([C@@H]2CCCN2Cc2cc(-c3ccco3)on2)on1 44975719 HBIKAODQPPAHIB-ZDUSSCGKSA-N 299.330 3.568 0 40 CHAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 10542046 OSLHONWNCITORJ-UHFFFAOYSA-N 281.355 3.597 0 40 CHAB COc1ccc(C)nc1NC(=O)c1ccc2c(c1)CCCC2 174791898 RAUFTJJYQSBZKP-UHFFFAOYSA-N 296.370 3.530 0 40 CHAB Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=O 3885109 PGCLRPPPHZSBNM-UHFFFAOYSA-N 296.301 3.925 0 40 CHAB Cc1ccc(C)c2sc(NC(=O)c3ccccn3)nc12 23268568 XAEMVLASGJCAAP-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB C[C@@H](NC(=O)c1ccoc1)c1ccc2ccccc2c1 8945962 ALKCMIIXIUIDRW-GFCCVEGCSA-N 265.312 3.924 0 40 CHAB O=C(NCCSCc1ccsc1)Nc1ccccc1 8943645 QKQRJDRVYRUUMR-UHFFFAOYSA-N 292.429 3.803 0 40 CHAB C[C@H](Sc1ccccc1Cl)C(=O)NC1CCCC1 6351859 HYZMDEBMJIIGMO-JTQLQIEISA-N 283.824 3.879 0 40 CHAB CC(C)CCNC(=O)Cc1csc(-c2cccs2)n1 14019180 AYTHPKJQJCHOIZ-UHFFFAOYSA-N 294.445 3.576 0 40 CHAB Cc1coc2c1c(C)cc1o/c(=N/O)c3c(c12)CCCC3 9183685 XCAXPYBYAAZLMG-ISLYRVAYSA-N 283.327 3.965 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)CCCc2c[nH]c3ccccc23)C1 6945783 HYVOLOYCDLSLJR-GJZGRUSLSA-N 298.430 3.995 0 40 CHAB CC(C)NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 15545283 QQYZMWCOUDIHCW-UHFFFAOYSA-N 292.382 3.833 0 40 CHAB O=C(Cc1cccc(Cl)c1)Nc1ccc(F)c(F)c1 67788092 LDDFSZMERFCFQE-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB COc1cccc(O[C@@H](C)c2nc3ccccc3[nH]2)c1 15833587 BJQQNJPMXUAUCB-NSHDSACASA-N 268.316 3.712 0 40 CHAB c1ccc2oc(Nc3ccc4c(c3)OCCCO4)nc2c1 9339337 VIJRQAICHLMBRS-UHFFFAOYSA-N 282.299 3.733 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC2CCCCC2)o1 16202638 XQKXBURFIIYKFA-AMLHFVAASA-N 273.376 3.865 0 40 CHAB Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N(C)C)c1 16477659 HIFUALBDRMMJNH-QGZVFWFLSA-N 282.387 3.545 0 40 CHAB Cc1cnccc1NC(=O)CCc1ccc(Cl)s1 69846988 ANQGRHNWUTWVLG-UHFFFAOYSA-N 280.780 3.676 0 40 CHAB CC(=O)Nc1ccc(C(=O)CSc2ccc(C)cc2)cc1 9583302 VTRHEQUIRRIMGX-UHFFFAOYSA-N 299.395 3.928 0 40 CHAB CSc1ccc(CNc2cccc(-c3nc[nH]n3)c2)cc1 95431141 TVMPLQISKARYND-UHFFFAOYSA-N 296.399 3.806 0 40 CHAB COc1cc([C@@H](C)Nc2cccnc2)ccc1SC 95969119 DFCRRGRWKLJGDW-LLVKDONJSA-N 274.389 3.985 0 40 CHAB CC(C)C[C@@H](C)NCc1ccnc(N2CCCCCC2)c1 95967814 MUSZUQKNINJFBV-MRXNPFEDSA-N 289.467 3.986 0 40 CHAB OCc1ccccc1NCc1cccc(-c2ccncc2)c1 89814005 MEPKQGCAPRTJGN-UHFFFAOYSA-N 290.366 3.853 0 40 CHAB CCSc1ncc(CNC(C)(C)CC(C)(C)C)cn1 62717313 SSUHMPFDNBCRPQ-UHFFFAOYSA-N 281.469 3.893 0 40 CHAB CSc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72216938 LAGPSRZJWXODAL-GFCCVEGCSA-N 294.420 3.876 0 40 CHAB COCCCCC(=O)N1CCCC2(CCCCC2)CC1 188584612 LHGCETCKHVUWID-UHFFFAOYSA-N 281.440 3.766 0 40 CHAB Cc1ccc(-c2ccc(Br)cc2F)cn1 45028369 ZMWSXQWWQYBMRZ-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB Cc1cccc2c(Nc3ccccc3C(=O)O)ccnc12 40784763 QJHMUAPDFUMBTN-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB CCc1ccc(CC)c(CNC(=O)c2ccccc2F)c1 223590539 JXWIEXVCJYYWKQ-UHFFFAOYSA-N 285.362 3.881 0 40 CHAB Cc1nc(C2(NCC[C@H](C)c3ccccc3)CCC2)no1 194352793 RAACTERHELNGDC-ZDUSSCGKSA-N 285.391 3.541 0 40 CHAB CN(CCCC(=O)O)c1ccccc1Oc1ccccc1 225006284 QRKPZOVLXNXMGY-UHFFFAOYSA-N 285.343 3.780 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1 225643500 IKGVNXABFYNAFZ-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB COc1cccc(NC(=O)NCCCc2cccc(C)c2)c1 96706601 RVOFLRYDGHVTBG-UHFFFAOYSA-N 298.386 3.758 0 40 CHAB CCOc1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260658786 KPHHIKZKAGKNGZ-HUBLWGQQSA-N 290.432 3.560 0 40 CHAB CC[C@H](Cl)C(=O)c1ccccc1C(F)(F)F 382721015 NKIZJVGWRWRJBK-VIFPVBQESA-N 250.647 3.906 0 40 CHAB O=C(Nc1ccccc1)N1CCC[C@H]1Cc1ccccc1 57509361 KNRHTEIAYIBELR-KRWDZBQOSA-N 280.371 3.926 0 40 CHAB Cc1ccccc1C1=N/C(=C\c2cccc(Cl)c2)C(=O)O1 177997 OILMRCXVRVIVEP-GDNBJRDFSA-N 297.741 3.993 0 40 CHAB Fc1c(Br)ccc2c(Cl)nc(Cl)nc12 722734970 RMTQLOZHXIEDGZ-UHFFFAOYSA-N 295.926 3.838 0 40 CHAB COc1cccc(NC(=O)N[C@H](C)c2ccccc2C)c1 13048467 CITLJACZCGOLHX-CYBMUJFWSA-N 284.359 3.886 0 40 CHAB Cc1cc(NC(=O)C23CC4C[C@H](CC[C@H](C4)C2)C3)no1 16778745 ZMDMTPIUACZQBD-ZAQWFSBCSA-N 274.364 3.528 0 40 CHAB FC(F)(F)c1ccc(-c2cncc([C@@H]3CCCN3)n2)cc1 616576155 RTBNOBRMVUYMDQ-LBPRGKRZSA-N 293.292 3.587 0 40 CHAB Cc1cc(N)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 21968855 DIAVCEJUWPOHCH-UHFFFAOYSA-N 284.403 3.732 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1cc(=O)c2ccccc2o1 189189 YJBRMPPWMPEGKR-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB CCC[C@@H](C)C(=O)c1ccc(C(=O)OCC)s1 575362060 YBTDOCNFGKSUPQ-SECBINFHSA-N 254.351 3.544 0 40 CHAB CC[C@@H](C(=O)Nc1ccc(C)c(O)c1)c1ccccc1 365447 PYDNFXCEWDUZDQ-OAHLLOKOSA-N 269.344 3.833 0 40 CHAB C=COc1ccc(N2C(=O)c3ccccc3O[C@@H]2C)cc1 114263 BZUYPJOBFYMJER-GFCCVEGCSA-N 281.311 3.594 0 40 CHAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccccc1 213491 OYBAVSWCSXNSMA-MDWZMJQESA-N 255.704 3.833 0 40 CHAB COc1ccc(NC(=O)c2cc(C)ccc2C)cc1OC 514806 ZAMNMVUWGPKYHA-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB CC(=O)Sc1ccc2c(c1)-c1ccccc1C2=O 1701588 HJEWSYZGMOFVBJ-UHFFFAOYSA-N 254.310 3.537 0 40 CHAB O=C(c1ccccc1)c1ccnc(C(=O)c2ccccc2)c1 1708388 KFGGLOLUGGBEDS-UHFFFAOYSA-N 287.318 3.544 0 40 CHAB Cc1cc(C)cc(N[C@H]2OC(=O)c3ccccc32)c1 2482660 RVFFJADSRQKRQG-HNNXBMFYSA-N 253.301 3.585 0 40 CHAB O=C(NCC1CCCCC1)c1ccc2ncsc2c1 2630798 RBUYLNMCPALOSL-UHFFFAOYSA-N 274.389 3.606 0 40 CHAB CCC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1 2734856 CITBKZTYVCILSE-UHFFFAOYSA-N 289.404 3.504 0 40 CHAB Cc1cccc(NC(=O)COc2cccc(Cl)c2)c1C 3603974 JJFXZPMBMKHCCX-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB Cc1cc2cc(CN[C@H]3CCCC[C@H]3C)c(=O)[nH]c2cc1C 4130519 ZVFAZZPOEXSAFE-PXAZEXFGSA-N 298.430 3.813 0 40 CHAB Cc1cccc(NC(=O)Cn2ccc3ccccc32)c1 6814787 LDGVKMWUFAZZKK-UHFFFAOYSA-N 264.328 3.588 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)n1 7195981 YEXDGRXUOIDYAT-ZMLRMANQSA-N 298.477 3.627 0 40 CHAB CC[C@@H](C)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 8344394 MTUFDDWMNDOBEV-BDAKNGLRSA-N 289.206 3.709 0 40 CHAB O=C(Nc1ccccc1O)c1ccc(C(F)(F)F)cc1 9478279 XRHNIJFVXFACKW-UHFFFAOYSA-N 281.233 3.663 0 40 CHAB COc1cc(OC)cc(C(=O)c2cc(C)ccc2C)c1 11631666 YDFMLGNOOPCOKM-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)cc1 11914377 PAAGXXMLYSLLMS-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1cc2n(n1)[C@H](c1cccs1)Nc1ccccc1-2 13132425 ROMPGWCAEKUTSM-OAHLLOKOSA-N 267.357 3.892 0 40 CHAB Cc1ccccc1NC(=O)CC1(C(=O)O)CCCCCC1 13249826 KPOJOUBDLIITFP-UHFFFAOYSA-N 289.375 3.749 0 40 CHAB Cc1cn(Cc2ccc(Cl)cc2Cl)c(C)n1 13281794 WJZWIBZRLKKIEZ-UHFFFAOYSA-N 255.148 3.855 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)N1CCCc2ccccc21 16023042 BHUVJQOVZBPTLC-UHFFFAOYSA-N 290.366 3.690 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1C 20025534 RQYWHVMZEOCCOJ-ZDUSSCGKSA-N 299.370 3.503 0 40 CHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)c1ccccc1 20495123 RZROJIMQXNQXCG-QGZVFWFLSA-N 299.370 3.516 0 40 CHAB CC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)s1 24027503 ZDTKELNEXPGWTA-INIZCTEOSA-N 299.395 3.832 0 40 CHAB O=C(Nc1ccccc1)c1cc(-c2cccc(Cl)c2)[nH]n1 24960129 PMKCUCSPRCOETB-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@H](C)C1CC1 25715701 WGZYEHNAZMBQCT-CQSZACIVSA-N 296.414 3.651 0 40 CHAB O=C(CCc1ccccc1Cl)Nc1ccc(Cl)cn1 26087997 QZXQRUIYVZDYDG-UHFFFAOYSA-N 295.169 3.960 0 40 CHAB CSCc1cccc(C(=O)Nc2ccc(C)cn2)c1 27643272 IEXFUGAMCCSEKB-UHFFFAOYSA-N 272.373 3.505 0 40 CHAB CCCn1nc(C)cc1NC(=O)Nc1cc(C)ccc1C 32610660 OORBSBMECOHDJJ-UHFFFAOYSA-N 286.379 3.862 0 40 CHAB Clc1ccnc(-c2ccc(Br)cc2)n1 37412475 KBRDFIXSEIZKQG-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB COc1ccc(CN[C@@H](C)c2ccccc2OC)cc1F 37493514 UJHMFMCDZWCFPU-LBPRGKRZSA-N 289.350 3.694 0 40 CHAB O=C1C[C@@H](C(=O)Nc2ccccc2Cl)c2ccccc21 38671283 SUEAAYJXUVSFGU-GFCCVEGCSA-N 285.730 3.649 0 40 CHAB C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(Cl)s1 40083168 RUJRZTGRCRGZHX-YFKPBYRVSA-N 289.191 3.600 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 42124328 XIILEDLBQPLDFK-ZIAGYGMSSA-N 277.408 3.800 0 40 CHAB CCCOc1ccc(NC(=O)c2cccc(N)c2C)cc1 51784960 WFQZFGZERDYSQX-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB CC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 68572167 RNDWSHSORGXYND-UHFFFAOYSA-N 289.718 3.660 0 40 CHAB O=CN1CCCC[C@H]1c1cccnc1Oc1ccccc1 72212231 CLLWRRCCUDCIPT-INIZCTEOSA-N 282.343 3.557 0 40 CHAB CCN(C)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 72212765 TXDISWLOLSHQDY-SFHVURJKSA-N 295.430 3.875 0 40 CHAB CC1CCN(Cc2c(C(C)C)[nH]c3ncccc23)CC1 72393349 MMLCOUIYUWYEOI-UHFFFAOYSA-N 271.408 3.918 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 72398476 IAFWDNUHCNWVCC-XOKHGSTOSA-N 294.398 3.597 0 40 CHAB CCO[C@@H]1C[C@H](NCc2cccs2)C12CCCCC2 76021620 YNAMHGMOSRGRJM-LSDHHAIUSA-N 279.449 3.966 0 40 CHAB Cc1ncccc1CNc1ccc2c(c1)nc(C1CC1)n2C 89806622 KKANSPFHAGIZOW-UHFFFAOYSA-N 292.386 3.766 0 40 CHAB C[C@H](c1cccc(Br)c1)N1CCCC1 91948683 ZZMCLATYQHHCON-SNVBAGLBSA-N 254.171 3.606 0 40 CHAB Cc1ccc(F)cc1C(=O)c1cc(F)c(F)cc1F 95917038 MEORVXRLJYNQQE-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB CCCC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 96446754 ZGEMMPDUBRADSX-CYBMUJFWSA-N 268.360 3.726 0 40 CHAB O=C(Nc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100403099 UKOAZIHMBPIBPU-GIPNMCIBSA-N 264.756 3.650 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)c(F)c1 102444927 VVZGHHOERNPXPL-DCAQKATOSA-N 265.303 3.730 0 40 CHAB CCOc1ccccc1NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 102934265 AIWJTJUBCUJDJF-SGMGOOAPSA-N 290.432 3.560 0 40 CHAB CC(=O)c1cc(OC(F)(F)F)ccc1Br 108000774 IJYKTJGFLOVCTA-UHFFFAOYSA-N 283.043 3.550 0 40 CHAB CC[C@@H](NC)c1ccc(OCc2ccccc2)c(OC)c1 222636504 BGTBQYSDOSTYME-MRXNPFEDSA-N 285.387 3.945 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NCC2=CCCCC2)cc1C 224602354 VRQORZFNAPPURN-HNNXBMFYSA-N 287.403 3.687 0 40 CHAB Cc1ccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225020983 BEGDXUSOWAACQK-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB O=C(CCc1c(Cl)cccc1Cl)Nc1cccnc1 225347592 XGYJAKONVVYWRX-UHFFFAOYSA-N 295.169 3.960 0 40 CHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C)c1 225693855 LEFOUGOFPMEBTE-QGZVFWFLSA-N 293.407 3.928 0 40 CHAB Clc1nc2cc(Cl)c(Br)cc2[nH]1 238557666 PCGAGYQTHSJUCZ-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB O=C(OCc1ccccc1F)c1ccccc1Cl 255930932 NWVRARYFPHEIKF-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB CCCC(CCC)C(=O)c1cccc(C(=O)OC)c1 575362559 YNBRTAXWWMOXKM-UHFFFAOYSA-N 262.349 3.872 0 40 CHAB O=C(O)C[C@H]1COc2c(Cl)cc(Cl)c(Cl)c21 585656406 XEQXOJDHVLXRGC-BYPYZUCNSA-N 281.522 3.598 0 40 CHAB c1ccc([C@@H]2COC(c3nccc4ccccc34)=N2)cc1 1988188040 LKMVAWVJSQQHRM-INIZCTEOSA-N 274.323 3.753 0 40 CHAB COc1ccc(NC(=O)c2cc(Cl)cnc2Cl)cc1 166841 SZNQYTLRXYQSMB-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB C[n+]1ccc(/C=C/c2ccccc2F)c2ccccc21 206139 OQNJPNLTJAXZJC-ZHACJKMWSA-N 264.323 3.974 0 40 CHAB CC1=Nn2c(nnc2-c2ccc(Cl)cc2Cl)SC1 525237 BUKRQQLICQMUHK-UHFFFAOYSA-N 299.186 3.582 0 40 CHAB Cc1nn(-c2nc(-c3cccs3)cs2)c(C)c1C 1393583 ZFSJGKLKTJIJDB-UHFFFAOYSA-N 275.402 3.983 0 40 CHAB COc1ccc(Cc2ccc(Cl)cc2)c(OC)c1 1562035 FMKYNAJHUHIEAX-UHFFFAOYSA-N 262.736 3.948 0 40 CHAB c1ccc(CC[C@H]2OC[C@H](c3ccccc3)O2)cc1 1689225 OUIPNMRDUUKZJF-SJORKVTESA-N 254.329 3.733 0 40 CHAB CCOP(=O)(OCC)Oc1ccc(SC)cc1 1719905 OVLXYMUBBUYUJA-UHFFFAOYSA-N 276.294 3.968 0 40 CHAB in-vitro C1SCc2c1c1c(c3c2CSC3)CSC1 1734541 WCFPIYZXBYMKIE-UHFFFAOYSA-N 252.429 3.927 0 40 CHAB COc1cccc(CS[C@@H](C(=O)O)c2ccccc2)c1 2030515 DCWDBUYRVFMPPL-OAHLLOKOSA-N 288.368 3.754 0 40 CHAB in-vivo COc1cc(C)ccc1OCCCCNC1CCCC1 2191210 ZJHDNSWUMQZBJU-UHFFFAOYSA-N 277.408 3.695 0 40 CHAB COc1ccc(-c2c(C)c3cc(F)ccc3oc2=O)cc1 2243259 LBSKUHVQDDLNAC-UHFFFAOYSA-N 284.286 3.916 0 40 CHAB C[C@@H]1CC2=C(CC13COCOC3)C(C)(C)CCC2 3141187 KIWADCSBMOCMOB-GFCCVEGCSA-N 250.382 3.914 0 40 CHAB biogenic Cc1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1 3560834 AIAZHHRCIAZXGH-UHFFFAOYSA-N 290.388 3.558 0 40 CHAB O=C(c1cccs1)c1coc2ccc(Cl)cc2c1=O 4547624 AHVWVHYBXQPCLP-UHFFFAOYSA-N 290.727 3.739 0 40 CHAB Cc1nc(Cl)c(NC(=O)CC(C)C)c(C)c1Cl 4558394 OZESCUCEEQAOKE-UHFFFAOYSA-N 275.179 3.990 0 40 CHAB Cc1ccc(C)c(COC(=O)c2n[nH]c3ccccc23)c1 5360730 YDRYFSBUKMOGDC-UHFFFAOYSA-N 280.327 3.537 0 40 CHAB CN1C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc21 5741469 FKLMILZAWJDMIS-UHFFFAOYSA-N 299.373 3.997 0 40 CHAB Cc1cc(C)c2c(n1)oc1c(NCc3ccco3)ncnc12 6760479 XAPJVXBPHOYDRV-UHFFFAOYSA-N 294.314 3.593 0 40 CHAB CC(C)CNC(=S)Nc1ccc(C(C)C)cc1 7528741 ICWHCIKWZMHNNU-UHFFFAOYSA-N 250.411 3.752 0 40 CHAB Cc1ccc(OCC(=O)NC[C@@H](C)c2ccccc2)cc1C 8167334 XWWVIGHZSMOVEF-MRXNPFEDSA-N 297.398 3.602 0 40 CHAB CC(C)(C)NS(=O)(=O)c1ccc(Cl)c2ccccc12 11614013 MQGMESROFRYQLF-UHFFFAOYSA-N 297.807 3.570 0 40 CHAB CCOc1ccccc1CCC(=O)Nc1ccccc1OC 14015397 WZZBBOJLVJPHKH-UHFFFAOYSA-N 299.370 3.665 0 40 CHAB CCn1c(=O)n(C/C=C/c2ccccc2)c2ccccc21 14145624 IXFYVYYQMJUOHS-DHZHZOJOSA-N 278.355 3.536 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)c(C)c1 19169241 ILQYIJFCBSJQMP-UHFFFAOYSA-N 297.354 3.717 0 40 CHAB C1=CC[C@H](CN2CCN(CCCc3ccccc3)CC2)CC1 19900086 PIUGLYAIASQPLN-FQEVSTJZSA-N 298.474 3.593 0 40 CHAB Cc1c(NC(=O)c2ccccc2Cl)cccc1C(=O)O 20137771 FVUFYHUUTRQURO-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC1CCCC1 20460619 TZCCFVVPSZCCHD-HNNXBMFYSA-N 275.392 3.520 0 40 CHAB N[C@H](Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 21015761 BIXMJSZZOSNAGV-CQSZACIVSA-N 299.761 3.633 0 40 CHAB CCn1c(C)cc(C(=O)N[C@H](C)CCc2ccccc2)c1C 27064056 HTFCSFTWPBOCJS-CQSZACIVSA-N 298.430 3.876 0 40 CHAB COc1ccc(OCCCc2nc3ccccc3[nH]2)cc1 31943781 GSFBKODOPYPQLZ-UHFFFAOYSA-N 282.343 3.583 0 40 CHAB CON(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 32892845 PTLRTWRCASJUGA-CSKARUKUSA-N 291.347 3.587 0 40 CHAB COCc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1 40051121 GGURRUQOYRRSJY-UHFFFAOYSA-N 295.382 3.638 0 40 CHAB Cc1ccc(OCCCCNC(=O)[C@@H]2CC=CCC2)cc1 40122474 LSVKKHWHOXCIMQ-MRXNPFEDSA-N 287.403 3.627 0 40 CHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCC(C)C)c1 52413685 MGYGWMMZRYCDOT-CQSZACIVSA-N 277.408 3.658 0 40 CHAB NC(=O)[C@@H](Sc1cccc2cccnc12)c1ccccc1 60823092 ZAVDHSSVQKIIJM-INIZCTEOSA-N 294.379 3.554 0 40 CHAB Cc1ccc([C@H](O)c2cccc(OC(C)C)c2)s1 61666900 QCAITNDUUJPLBR-OAHLLOKOSA-N 262.374 3.925 0 40 CHAB CC[C@H](C)Oc1ccc(CNCC(C)C)cc1OC 62731850 QALXGSIJWSKBGF-ZDUSSCGKSA-N 265.397 3.618 0 40 CHAB COCCc1ccc(Oc2ncnc3ccccc23)cc1 69351314 BRHOJANECGVFDX-UHFFFAOYSA-N 280.327 3.611 0 40 CHAB c1ccc([C@@H]2CCN(Cc3cc(-c4ccco4)on3)C2)cc1 69899147 KUXDSAVADDVKDC-OAHLLOKOSA-N 294.354 3.924 0 40 CHAB COC(=O)c1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 70461561 ODXSMXNHBZABTL-UHFFFAOYSA-N 286.718 3.670 0 40 CHAB Cc1cc(C(=O)c2ccccc2)cnc1N1CCCCC1 72222456 PHCAQDXTLLHDLH-UHFFFAOYSA-N 280.371 3.611 0 40 CHAB O=Cc1ccc(Oc2ccccc2Br)o1 72228392 YEXCABHFLHLUOZ-UHFFFAOYSA-N 267.078 3.647 0 40 CHAB CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1 72312795 KSXGGUAXENRCPP-BDAKNGLRSA-N 289.853 3.806 0 40 CHAB Cc1ccc(Cc2cccc([C@H]3CCCN3C)n2)cc1 72357510 NTRRQRSESHIGMA-GOSISDBHSA-N 266.388 3.748 0 40 CHAB C[C@H]1CCCN(C(=O)CNc2cccc3ccccc23)C1 78566508 DTNDBZYVTGWEEI-AWEZNQCLSA-N 282.387 3.510 0 40 CHAB CN(C)c1ncc(C(F)(F)F)cc1-c1ccc(O)cc1 91695431 QSGVWWLAYAMFLX-UHFFFAOYSA-N 282.265 3.539 0 40 CHAB Cc1cn2c(n1)[C@H](CN[C@@H](C)CCc1ccccc1)CCC2 95402204 VOGUPXQIKUDKHM-YJBOKZPZSA-N 297.446 3.680 0 40 CHAB CCOC(=O)CCCCOc1cccc(Cl)c1F 95734102 ZGGVWPUPXKQWGD-UHFFFAOYSA-N 274.719 3.591 0 40 CHAB FC(F)(F)c1cnc(Br)cc1Cl 95761937 AMGWVRKDUHQDQN-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB O=C(O)c1scc(Cl)c1OCc1ccc(F)cc1 96510963 WEUZEHRCCSZCHL-UHFFFAOYSA-N 286.711 3.818 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)c1oc(=O)cc(Br)c12 100367081 YYXYYZKUGAWUQG-FUXBKTLASA-N 283.165 3.577 0 40 CHAB C[C@]12CC3CC(C(=O)N4CCCCC4)(C1)C[C@](C)(C3)C2 100858037 CQJQZZVKELIUGA-FZBQFSLMSA-N 275.436 3.996 0 40 CHAB Cc1occc1SCc1ccc(C(=O)N(C)C)cc1 131547735 KBIQXHOADZRVNK-UHFFFAOYSA-N 275.373 3.582 0 40 CHAB CC(C)Oc1ccccc1C(=O)C(F)(F)C(F)(F)F 232689747 OWNNHZYASXQLHG-UHFFFAOYSA-N 282.208 3.854 0 40 CHAB O=C(CSC1CCCC1)NCC1(c2ccsc2)CC1 1889108512 ZBDYLPCJIIDPAN-UHFFFAOYSA-N 295.473 3.572 0 40 CHAB Fc1cc(-c2cccc([C@H]3CCCN3)n2)ccc1Cl 2037873603 ZIYOZWWOZFGXGN-CQSZACIVSA-N 276.742 3.966 0 40 CHAB COc1ccc(CC(=O)Sc2nc3ccccc3o2)cc1 35250 NEGFMAUUMHTQOZ-UHFFFAOYSA-N 299.351 3.698 0 40 CHAB Cn1ncc(C(=O)Sc2ccc(Cl)cc2)c1Cl 160122 WEHMNNOFDFRYCP-UHFFFAOYSA-N 287.171 3.659 0 40 CHAB O=Cc1ccc2oc(C(=O)c3ccc(F)cc3)cc2c1 163447 QZUPNKHXOIBWRD-UHFFFAOYSA-N 268.243 3.615 0 40 CHAB CCc1ccc(C)c(OC(=O)c2ccccc2F)c1 363993 LCGXHZNQVAGTQI-UHFFFAOYSA-N 258.292 3.916 0 40 CHAB CC(C)(C)NC(=O)c1cccc2c1-c1ccccc1C2 481687 WNHRWHVNYNHZFF-UHFFFAOYSA-N 265.356 3.786 0 40 CHAB CC1(C)[C@H]2C(Cl)(Cl)[C@@]2(C)c2ccccc2N1C=O 507538 ZIIPOTCZHKXENU-YPMHNXCESA-N 284.186 3.503 0 40 CHAB O=c1c2ccccc2nc2n1CCC2=C1CCCCC1 517631 DBTRBIZMLSYADS-UHFFFAOYSA-N 266.344 3.518 0 40 CHAB biogenic CC(C)O[P@@](C)(=O)OCC(Cl)(Cl)Cl 1697673 XUWMGGAHIPLLRJ-ZDUSSCGKSA-N 269.492 3.621 0 40 CHAB Cc1cccc(C(=O)OCCCc2ccccc2)c1 1768568 XOWCWLVJFBZFFJ-UHFFFAOYSA-N 254.329 3.785 0 40 CHAB CN(C(=O)c1ccccc1)C1C2CC3CC(C2)CC1C3 1854766 SMRALOAVZVVUMD-UHFFFAOYSA-N 269.388 3.583 0 40 CHAB CC(=O)[C@H](Sc1nc(C)cc(C)n1)c1ccccc1 3219734 SUFASZAHGYCWQV-AWEZNQCLSA-N 272.373 3.516 0 40 CHAB CC(=O)[C@H]1CCC(c2ccccc2)(c2ccccc2)C[C@@H]1O 3844299 CLVLAVFCIQZXKQ-MOPGFXCFSA-N 294.394 3.723 0 40 CHAB biogenic COc1cc([C@H]2OC[C@H]3[C@H](C)[C@@H]2C(C)=C[C@H]3C)ccc1O 4027082 SOHWVJPJRLXISV-OQIRLWNYSA-N 288.387 3.937 0 40 CHAB O=C1CCC[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]12 4041277 RFCMYEBTZKSRRN-CEXWTWQISA-N 293.366 3.917 0 40 CHAB Sc1nnc(CSc2ccccc2)n1-c1ccccc1 4575662 JIXFPKQNCHUGDB-UHFFFAOYSA-N 299.424 3.848 0 40 CHAB Cc1ccc(S[C@H]2C[C@H]3C[C@@H]2[C@H]2COC[C@@H]23)cc1 4769265 XSAZNZTYQKMUAB-BTAUDXDXSA-N 260.402 3.758 0 40 CHAB CCCCCCOc1ccc(C(=O)CCN(C)C)cc1 6203384 WDKRRLOQDUKDIJ-UHFFFAOYSA-N 277.408 3.780 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1OC 6207852 QUZWFHZCLSJCRQ-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB CC(C)CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 6305788 SELLNLVIKRNIDP-UHFFFAOYSA-N 283.799 3.660 0 40 CHAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nccn2C)cc1C 6369800 TVLTXPXYXCBPIC-CYBMUJFWSA-N 288.416 3.709 0 40 CHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(C)C)n1 6464105 KIYOSEITJZVCFJ-UHFFFAOYSA-N 297.811 3.882 0 40 CHAB Cc1ccc(NC(=S)NN2[C@@H](C)CCC[C@H]2C)cc1F 7350349 BHWNVTDNIPCQDO-TXEJJXNPSA-N 295.427 3.598 0 40 CHAB c1ccc(Cn2c(-c3nnco3)cc3ccccc32)cc1 7453734 LRRFOOXOBBTBTB-UHFFFAOYSA-N 275.311 3.740 0 40 CHAB O=C(Nc1ccc(-c2nccs2)cc1)C1CCC1 7684160 YWDZOYDBIGISQD-UHFFFAOYSA-N 258.346 3.549 0 40 CHAB OCc1ccccc1OCc1ccc2ccccc2c1 8727903 IOEDPDGPDGVHJM-UHFFFAOYSA-N 264.324 3.911 0 40 CHAB CC(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 9328144 UPRMIQCAWOFRJX-UHFFFAOYSA-N 296.374 3.507 0 40 CHAB COc1cc(Cl)c(NC(=O)c2ccoc2C)cc1OC 12728066 XMMXGERDXZQADW-UHFFFAOYSA-N 295.722 3.511 0 40 CHAB CC1CCN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 13689150 VTFFEUAPXATYRH-HNNXBMFYSA-N 297.398 3.866 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cc2c(C)nn(C)c2s1 15613661 VIDKFWMFYQIHKF-UHFFFAOYSA-N 299.399 3.812 0 40 CHAB COc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 16505468 VPRHOVYPFIKUOY-UHFFFAOYSA-N 292.338 3.738 0 40 CHAB O=c1[nH]c(-c2ccccc2)nc(-c2ccccc2)c1Cl 17111945 PTBHEWNIFRUQRD-UHFFFAOYSA-N 282.730 3.757 0 40 CHAB Cc1ccc(NC(=O)c2ccoc2)c(Br)c1 18184231 XMJCUWRIIPTZDR-UHFFFAOYSA-N 280.121 3.603 0 40 CHAB COc1ccc(Cl)cc1-c1nc2ccc(N)cc2o1 20424010 QOTHFSJNVZSDHK-UHFFFAOYSA-N 274.707 3.739 0 40 CHAB CCOc1ncccc1NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 27581261 JKKHVGLXNFSZHZ-GXTWGEPZSA-N 288.391 3.657 0 40 CHAB Cc1c(-c2ccc(Br)cc2)nc2scnn12 28539911 JISNCPCPRGNNAV-UHFFFAOYSA-N 294.177 3.529 0 40 CHAB CCC[C@H]1C(=O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1 34798058 LFJPCHSRZIMWGY-MKBNYLNASA-N 273.332 3.634 0 40 CHAB Cc1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 36302300 ZFDXXPOTNHZGBG-UHFFFAOYSA-N 286.199 3.922 0 40 CHAB COc1ccc(F)cc1C(=O)CCc1ccccc1 36944205 NRVNMTCNXVRTBP-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB Clc1cc2c(cc1NC1CCCCC1)OCO2 36969975 ODGSAKTXXXUKIB-UHFFFAOYSA-N 253.729 3.813 0 40 CHAB c1ccc(CN(c2ncnc3sccc23)C2CC2)cc1 40067592 FQNZFTSQPJVXSZ-UHFFFAOYSA-N 281.384 3.860 0 40 CHAB CC(=O)c1cccc(NC(=O)NC2CCC(C)CC2)c1 40097418 FNEBIJFZKURAGZ-UHFFFAOYSA-N 274.364 3.589 0 40 CHAB OCc1cccc(-c2nc3ccc(F)cc3s2)c1 45923173 FBZPLAPEBWUSRY-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB CCN(Cc1ccccc1)C(=O)Cc1ccccc1Cl 46081973 SVPFYDKCNFWPLF-UHFFFAOYSA-N 287.790 3.931 0 40 CHAB CCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 48805508 BBNHHAVSXVGPEZ-LBPRGKRZSA-N 270.376 3.804 0 40 CHAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccncc1 57561377 HBXLZUYGHULMNY-OAHLLOKOSA-N 286.762 3.712 0 40 CHAB Cc1cc(C)cc(-n2ccnc2SCc2cnn(C)c2)c1 58328692 SJQMHWQDYLFMOM-UHFFFAOYSA-N 298.415 3.515 0 40 CHAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cscn1 68920111 IRERMFGJJRWVQH-CYBMUJFWSA-N 292.791 3.678 0 40 CHAB CC(=O)c1csc(-c2cccc(Br)c2)n1 70848215 QORQDEDECUFKTN-UHFFFAOYSA-N 282.162 3.775 0 40 CHAB CCN(C(=O)N[C@H](C)c1csc(C)n1)C1CCCCC1 72271610 JQEJUTLEQXMJPR-LLVKDONJSA-N 295.452 3.877 0 40 CHAB O=C(Nc1ccc2ccccc2n1)c1c(F)cccc1F 72274570 ZAEDRGKOMSWVQA-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB O=C(NCC1CCCCC1)c1ccc(Cl)cc1F 82287097 CSGRJTIISZTMGV-UHFFFAOYSA-N 269.747 3.789 0 40 CHAB C[C@H](Cc1ccoc1)NC(=O)Cc1cccc2ccccc12 84833600 HWNHFXKJPUHEQB-CQSZACIVSA-N 293.366 3.723 0 40 CHAB C[C@@H]1CCC[C@H](OC(=O)c2csc([C@@H]3CCCO3)n2)C1 95440700 YBEFTGFFYUMQSQ-MDZLAQPJSA-N 295.404 3.730 0 40 CHAB CC(C)Oc1cccc(N(C)Cc2ccsc2)n1 95460591 QDOQYLBDFVRHIA-UHFFFAOYSA-N 262.378 3.567 0 40 CHAB CC1(C)C(=O)[C@@]2(C(=O)Nc3ccccc3Cl)CC[C@H]1C2 100868089 ABSFGQHJOLDQGL-MGPLVRAMSA-N 291.778 3.674 0 40 CHAB CC[C@@H]1CCC[C@H](N[C@H](CC(=O)OC)c2cccs2)C1 108081437 ODYLXWLXXMGZFM-HZSPNIEDSA-N 295.448 3.911 0 40 CHAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108924862 GZLMXKGDLFLCCX-PCBIJLKTSA-N 291.822 3.823 0 40 CHAB COC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 143162706 VKIIRHVFFJBBSV-UHFFFAOYSA-N 290.322 3.597 0 40 CHAB COc1cccc2c1N(C(C)(C)C(=O)O)C(C)(C)C=C2C 223204342 YGUARGLRXLZVQK-UHFFFAOYSA-N 289.375 3.560 0 40 CHAB O=C(COc1cccc2ccccc12)NCC1=CCCCC1 224257633 SNWRLRHTLCEHJI-UHFFFAOYSA-N 295.382 3.835 0 40 CHAB Cc1ccccc1CNC(=S)Nc1ccc(F)c(F)c1 225309420 JCJOKTAWOULWNM-UHFFFAOYSA-N 292.354 3.760 0 40 CHAB O=C(c1ccccc1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775972596 MGRMUFVRZMIJJX-IRXDYDNUSA-N 267.372 3.934 0 40 CHAB CCCC(=O)Nc1nc(-c2ccc(OCC)cc2)cs1 143300 HWLVIAAZWJVDCJ-UHFFFAOYSA-N 290.388 3.947 0 40 CHAB C/C=C/c1cc(C(C)=O)c(O)c(CCC)c1NC(C)=O 157813 VDLCTZOFNYFBLA-FNORWQNLSA-N 275.348 3.539 0 40 CHAB Cc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 176773 NDHVFVOIJJCBNY-GDNBJRDFSA-N 297.741 3.993 0 40 CHAB COc1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1 193796 IXBNOBNMNRTNPT-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB Cc1ccc(-c2ccnc3c(Cl)c(C)nn23)cc1 1403919 ATIVYVVBJOKIQF-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB O=S(=O)(Oc1ccc2ccccc2c1)c1ccccc1 1599368 QNYRSMVRQUWBRS-UHFFFAOYSA-N 284.336 3.608 0 40 CHAB O=C(O)CCCCCCC(=O)c1cccc(Cl)c1 2378672 UFJZMGPBOMKXFT-UHFFFAOYSA-N 268.740 3.948 0 40 CHAB COc1ccccc1CCC(=O)c1cccc(C)c1 2516442 WFBZQJRKZFHGAM-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB COc1ccc(CCC(=O)c2ccc(F)c(F)c2)cc1 2516585 NCOAEANEJSVFOG-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1 2734196 SNBGWBQTELOILB-UHFFFAOYSA-N 275.392 3.928 0 40 CHAB Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 2783903 AGGSIEONHNHNID-NEPJUHHUSA-N 299.271 3.991 0 40 CHAB Cc1cc(OCC(=O)NC2CCC(C)CC2)ccc1Cl 3443774 JVBVRXTUSSOUSK-UHFFFAOYSA-N 295.810 3.722 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1F 3608759 SXFBYMTYCRDHLX-UHFFFAOYSA-N 282.318 3.878 0 40 CHAB Clc1ccc(Br)cc1[C@@H]1CCCN1 3732366 HWGOBFOHCBTYIR-JTQLQIEISA-N 260.562 3.527 0 40 CHAB O=C(O)c1cc2c(s1)-c1cc(F)ccc1SC2 3887715 ABVWPIVEGZQKRM-UHFFFAOYSA-N 266.318 3.858 0 40 CHAB O=C(/C=C/c1cnc2ccccc2c1)NCc1ccccc1 4052081 XEGSAQNJWJLSLX-ZHACJKMWSA-N 288.350 3.564 0 40 CHAB O=C(Nc1ccccn1)c1ccc(Cl)c(Cl)c1 5391127 DZUINQORIGKFEW-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1ccc(Nc2nc(C)c(C(=O)O)s2)cc1C 5448314 YGCOAIXBKDZCKC-UHFFFAOYSA-N 262.334 3.510 0 40 CHAB Cc1ccc(-c2cc(NC(=O)c3ccccc3)on2)cc1 5452007 OSRGJDSKMOIZGW-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB O=C(Oc1ccc2oc3ccccc3c2c1)C1CC1 5465706 ZAIJRRBYBMJXEM-UHFFFAOYSA-N 252.269 3.901 0 40 CHAB Cc1cc2occ(CC(=O)Nc3nccs3)c2cc1C 5574924 NEQWGEYWXMUAGY-UHFFFAOYSA-N 286.356 3.687 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(Br)c1 7914274 GTTSXDFPLFIRDY-SNVBAGLBSA-N 280.165 3.744 0 40 CHAB Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1C 8168667 RLLVZRWFWUJJSV-HNNXBMFYSA-N 267.372 3.837 0 40 CHAB O=C(O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 8939958 OLRWQHZTBMDOHC-UHFFFAOYSA-N 283.302 3.991 0 40 CHAB Cc1ccc(COc2cccc(C(=S)N(C)C)c2)cc1 9188230 PTZAPBHFPWJKMK-UHFFFAOYSA-N 285.412 3.811 0 40 CHAB CCCCNC(=O)c1cc(C2CC2)nc2ccccc12 13004976 GLEHGKULGCOKEI-UHFFFAOYSA-N 268.360 3.642 0 40 CHAB CC[C@H](C)N(C(=O)c1ccc(F)cc1)[C@H](C)CC 13324114 RPMHMSPVDYKIEA-TXEJJXNPSA-N 251.345 3.865 0 40 CHAB COc1c(I)sc2ccccc12 15043132 GLMJEEOZSOPDAN-UHFFFAOYSA-N 290.125 3.515 0 40 CHAB O=C(NC1CCCCC1)N1CCc2cc3ccccc3nc21 15841777 JLIIABLZWBSQDL-UHFFFAOYSA-N 295.386 3.640 0 40 CHAB C[C@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc(Cl)cc1 16190840 XMUIYCPNQCJWIG-PHIMTYICSA-N 297.855 3.804 0 40 CHAB CCCCN[C@H](C)c1cccc(Br)c1 19906962 ZVPDAJUXNRWLGV-SNVBAGLBSA-N 256.187 3.900 0 40 CHAB Cn1cc(Br)nc1-c1ccc(Cl)cc1 22126084 BMJLQUKMGHXYOK-UHFFFAOYSA-N 271.545 3.503 0 40 CHAB CCCC[C@H](CCC(=O)Nc1ccccc1C)C(=O)O 26807755 KLBDGGVNKHAZSD-CYBMUJFWSA-N 277.364 3.605 0 40 CHAB O=C(CC1CCCCC1)N1CCC[C@@H]1c1ccncc1 32907460 GEPSIOUIUTXTFG-MRXNPFEDSA-N 272.392 3.716 0 40 CHAB CC(C)(C)OC(=O)Nc1cc(O)c2ccccc2c1 34741168 XWWZYXSURXSRAH-UHFFFAOYSA-N 259.305 3.892 0 40 CHAB CCc1ccc(CCC(=O)N(C)Cc2cccs2)cc1 39969250 WJSAKMZIGFDWJN-UHFFFAOYSA-N 287.428 3.902 0 40 CHAB CC(C)C(=O)N1CCC(CCc2ccccc2)CC1 40024206 FTANEJJHPKYUGQ-UHFFFAOYSA-N 259.393 3.514 0 40 CHAB NCCCc1c[nH]c2cccc(OCc3ccccc3)c12 44279717 BLVXPNCGBWOTAM-UHFFFAOYSA-N 280.371 3.638 0 40 CHAB CC(C)(C)CC(=O)Nc1cc(-c2cccs2)n[nH]1 48751073 NGLPWLWERWFEGY-UHFFFAOYSA-N 263.366 3.513 0 40 CHAB CCn1ccnc1SCc1ncc(-c2cccs2)o1 67429106 VYQZAPSDVFIBSG-UHFFFAOYSA-N 291.401 3.912 0 40 CHAB C[C@H](SCc1ccccc1F)C(=O)NC1CCCC1 71818577 TTYWGZKVPHRFCJ-NSHDSACASA-N 281.396 3.506 0 40 CHAB C[C@@H]1Cc2ccccc2N1CCNc1nc2ccccc2o1 71841043 QWIUHEGHEDZLAC-CYBMUJFWSA-N 293.370 3.691 0 40 CHAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCN1C(C)C 72213391 KLGIBIMDMHAGNL-HIFRSBDPSA-N 261.413 3.837 0 40 CHAB CC[C@@H](N)c1ccc(N(C)c2ccccc2)nc1C 72224392 CNOPEWJPWKPGDQ-OAHLLOKOSA-N 255.365 3.568 0 40 CHAB CC[C@@](C)(NC(=O)c1ccc(C)s1)c1nccs1 72292247 XBJSQCUQQSBYBY-CYBMUJFWSA-N 280.418 3.568 0 40 CHAB O=C(c1ccsc1)N(CCc1cccs1)C1CC1 75154781 UZMIOJUCBHXHAQ-UHFFFAOYSA-N 277.414 3.657 0 40 CHAB Clc1ccc(Br)c([C@H]2CCCN2)c1 84623596 MDNASMVGOMKAHN-SNVBAGLBSA-N 260.562 3.527 0 40 CHAB C[C@]12C=C[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 95889707 RMHPKSNNHHZEJF-HKQXQEGQSA-N 286.415 3.655 0 40 CHAB Cc1ccc(CN2CCC3(CC2)C[C@H](C(C)C)CO3)o1 96047902 LOGUFWAFNNODDT-HNNXBMFYSA-N 277.408 3.615 0 40 CHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](C(C)C)CO3)o1 96047903 LOGUFWAFNNODDT-OAHLLOKOSA-N 277.408 3.615 0 40 CHAB CC(C)Cc1nn2c(-c3cc4ccccc4o3)nnc2s1 96194062 CXROPVGJGFHCHQ-UHFFFAOYSA-N 298.371 3.798 0 40 CHAB Cc1sc(N)c(-c2nc(-c3ccc(F)cc3)no2)c1C 102210918 VUEGQZSSENTJOT-UHFFFAOYSA-N 289.335 3.803 0 40 CHAB Nc1ccc(C2(C(=O)Nc3cccc(Cl)c3)CC2)cc1 158760371 IJBCALCRXDOQAC-UHFFFAOYSA-N 286.762 3.593 0 40 CHAB Cc1ccccc1CSCC(=O)NCC1CCCCC1 223398781 IZIPGZGBWLFJPO-UHFFFAOYSA-N 291.460 3.925 0 40 CHAB Cc1cccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)c1 225017447 LFFYVNYBZSIQRC-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB CC(C)CC1(CC(C)C)NC(=S)N(c2ccccc2)N1 225349427 HAIHCBQDSHIZPX-UHFFFAOYSA-N 291.464 3.674 0 40 CHAB O=C(NCc1cccnc1-c1ccsc1)[C@H]1CC=CCC1 225645564 FSMXNJALCLEQCJ-ZDUSSCGKSA-N 298.411 3.783 0 40 CHAB CC[C@H](C)NC(=O)c1cc(C(C)C)c(OC)cc1C 225654298 SSDHSSLFUZWHAL-LBPRGKRZSA-N 263.381 3.655 0 40 CHAB Cc1cc(C)nc(NC(=O)c2ccc(C3CCC3)cc2)n1 329594988 BRLJYKNEAWUIBX-UHFFFAOYSA-N 281.359 3.613 0 40 CHAB O[C@H](c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F 1536084357 JQHQCMZQOOUQHH-SSDOTTSWSA-N 278.579 3.955 0 40 CHAB CCc1ccccc1NC(=O)c1cccc(N(C)C)c1 60785 UBDOPJUNNFJRPB-UHFFFAOYSA-N 268.360 3.567 0 40 CHAB Cc1ccc(C)c(C(=O)NCc2ccc(Cl)cc2)c1 514725 SEBRKPKZUCWCBG-UHFFFAOYSA-N 273.763 3.887 0 40 CHAB C[C@@]12CC[C@@H]3c4ccc(O)cc4C=C[C@@H]3[C@@H]1CCC2=O 1041214 WTRRIQCGCGCMQA-MUQADHOPSA-N 268.356 3.898 0 40 CHAB CC(C)c1ccc(C(=O)[C@H](C)Sc2nccn2C)cc1 76040293 LQBQUMSTAGTBJQ-LBPRGKRZSA-N 288.416 3.907 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(OC(F)F)cc2)cc1 3554345 YPDJDDKGRVNZEO-UHFFFAOYSA-N 291.297 3.526 0 40 CHAB CC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 6651421 JRKYVHXIIOASDK-UHFFFAOYSA-N 281.355 3.687 0 40 CHAB Cc1ccc(C)c(C(=O)NC[C@H](C)c2ccccc2)c1 8168463 KMSAPTUPEXKZHF-HNNXBMFYSA-N 267.372 3.837 0 40 CHAB BrC12C[C@H]3C[C@@H](C1)CC(N1CCCC1)(C3)C2 34925584 CIVARSFDXZMBQT-VTXSZYRJSA-N 284.241 3.569 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10321923 BUCRDNJATNFKPP-SWLSCSKDSA-N 291.354 3.596 0 40 CHAB C[C@H]1CCC[C@@H]2[C@@H]1C2(Br)Br 101037934 DDLGYTAQJREHKY-RRKCRQDMSA-N 267.992 3.539 0 40 CHAB CCOc1ccccc1OCCSCC(C)C 95403406 GBEFPJUSRUZLNV-UHFFFAOYSA-N 254.395 3.853 0 40 CHAB O=C(O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1 11629048 AVZZAZDBRVWAMZ-CQSZACIVSA-N 262.255 3.571 0 40 CHAB O=C(Nc1cc2c(cc1Cl)OCCO2)C1CCCCC1 12773195 KDJNUTRLHBSHIJ-UHFFFAOYSA-N 295.766 3.630 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 12765965 BYVFVGKOOHCHIC-NSHDSACASA-N 275.298 3.764 0 40 CHAB Cc1cc(O)c(CN2CCc3sccc3C2)cc1C 14309329 WQZOKCOTCYEYBE-UHFFFAOYSA-N 273.401 3.629 0 40 CHAB c1ccc(-c2ccc(COC3CCNCC3)cc2)cc1 14631887 BTAWNEXMILNDCC-UHFFFAOYSA-N 267.372 3.622 0 40 CHAB in-vitro Cc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)nc1 7143585 DRSKUACNMLNNCL-UHFFFAOYSA-N 295.770 3.991 0 40 CHAB O[C@@H](CNCc1cccc2ccccc12)c1ccccc1 16477523 ZYWPUMMNNPPJAZ-IBGZPJMESA-N 277.367 3.663 0 40 CHAB C[C@@H]1CCC[C@@H](N2CCN(C[C@H]3CC=CCC3)CC2)C1 19900117 PRIBEPJSCZVEBS-FGTMMUONSA-N 276.468 3.539 0 40 CHAB FC(F)c1nnc(NCc2ccc(Cl)cc2)s1 95966802 RNLMVZIOSGVKNL-UHFFFAOYSA-N 275.711 3.741 0 40 CHAB Fc1ccccc1[C@H](NCc1cc[nH]n1)C1CCCC1 88765434 BLGOJCPZOFQBDA-MRXNPFEDSA-N 273.355 3.570 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)COc2cccc(C)c2)cc1 23426354 IAWXGRDKSRLACO-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB CC(C)Oc1cc(C(=O)NCc2ccco2)cc2occc12 72240178 YJRLMMQMCYICFF-UHFFFAOYSA-N 299.326 3.743 0 40 CHAB Nc1cc(Br)ccc1NC(=O)C1CCCCC1 34958609 KCMVUKFTXBPYNQ-UHFFFAOYSA-N 297.196 3.550 0 40 CHAB Cc1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42772187 MKWOLIADSDFBHH-LBPRGKRZSA-N 298.224 3.526 0 40 CHAB Cc1cccc2c(Nc3ccc(C(=O)O)cc3)ccnc12 45928502 PPIMUCVRZRFABL-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB CCOC(=N)c1ccc(Br)c(C(F)(F)F)c1 228917380 BXFKBMVPXNSXGH-UHFFFAOYSA-N 296.086 3.830 0 40 CHAB Cc1cccc(CNC(=S)Nc2ccc(F)cc2F)c1 44385829 CBHDHWBZUMQVRN-UHFFFAOYSA-N 292.354 3.760 0 40 CHAB CCCCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225147202 JPOMOIODSVKESN-CQSZACIVSA-N 289.419 3.639 0 40 CHAB Nc1cc(Cl)c(Cl)cc1OCC(F)(F)F 87418236 BABSHBYGWXBHDQ-UHFFFAOYSA-N 260.042 3.517 0 40 CHAB CC(=O)c1c(O)n(Cc2ccccc2)c2ccccc12 96026244 DILMKXZLSRZMAZ-UHFFFAOYSA-N 265.312 3.598 0 40 CHAB Cc1nnc([C@H](C)N[C@@H](CC(C)C)c2cccs2)o1 97373831 HKHBWAMOBRROTD-JQWIXIFHSA-N 279.409 3.878 0 40 CHAB Cc1cc2c(cc1C)[C@@H](N(C(=O)C1CC1)C1CC1)CCO2 95409002 AFGNEBYEONUDHS-INIZCTEOSA-N 285.387 3.528 0 40 CHAB CC(C)CC(=O)c1ccc(OC(F)(F)F)c(F)c1 575242625 AWIPHTXSKZIYLI-UHFFFAOYSA-N 264.218 3.953 0 40 CHAB Cc1nc(COc2cccc3cccnc23)cs1 69532830 CHHJXXGHPISRDT-UHFFFAOYSA-N 256.330 3.579 0 40 CHAB COC(=O)C[C@H](C)SCc1coc(-c2ccccc2)n1 78812544 WDDZPMUFJRPMIX-NSHDSACASA-N 291.372 3.526 0 40 CHAB O=C(/C=C/c1ccccc1)N[C@H]1CCCc2ccccc21 1456407 KEILRQNJLXIUMO-JKGDOXCYSA-N 277.367 3.894 0 40 CHAB Cc1cc(-c2cnc(NC(C)C)nc2-c2ccc(C)o2)on1 12186050 DPKMTTPRBTVLCR-UHFFFAOYSA-N 298.346 3.829 0 40 CHAB CC(C)(C)N1CCO[C@@H](c2cc3ccccc3o2)C1 14982180 FSLQAJDYQZJWQT-OAHLLOKOSA-N 259.349 3.605 0 40 CHAB CC(C)[C@H](CNCc1ccc(Cl)c(Cl)c1)N(C)C 20547905 IWSCGDKRPZIJCK-AWEZNQCLSA-N 289.250 3.669 0 40 CHAB in-vitro C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 3843727 NVKAWKQGWWIWPM-KFZCHHPSSA-N 290.447 3.959 0 40 CHAB CCCNC(=O)Cc1coc2ccc3ccccc3c12 9489405 YBKWPLXSYNRPFF-UHFFFAOYSA-N 267.328 3.655 0 40 CHAB COc1ccc2ccccc2c1C(=O)C(F)(F)F 2579828 LHOAIZGFUJEBKO-UHFFFAOYSA-N 254.207 3.593 0 40 CHAB CO[C@@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)CCc1ccccc1 20149865 PPIQTESFORMGPF-IFXJQAMLSA-N 299.414 3.693 0 40 CHAB CC(C)(C)C(=O)Nc1ccc(Oc2ccncc2)cc1 50490317 GJSKOVREIZSIHV-UHFFFAOYSA-N 270.332 3.859 0 40 CHAB CN(C(=O)c1ccsc1)[C@@H]1CCc2ccccc21 40489739 RVEMMOQAZCLPAA-CQSZACIVSA-N 257.358 3.508 0 40 CHAB O=C(O)c1ccc(COc2cc(Cl)ccc2Cl)o1 133420 FVABYPFRCFVPJJ-UHFFFAOYSA-N 287.098 3.864 0 40 CHAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C)nc2)cc1 32754142 BWGDPRCDBYZNTP-QGZVFWFLSA-N 280.371 3.676 0 40 CHAB Cn1c(SCc2ccccc2)nc2ccccc21 134641 DIAITCRVSDAQBI-UHFFFAOYSA-N 254.358 3.866 0 40 CHAB Cc1ccc([C@@H]2SCC(=O)N2c2ncc(C)s2)cc1 19926988 FJYPYCZAEGEDBR-ZDUSSCGKSA-N 290.413 3.539 0 40 CHAB O=C(O)c1cc2ccccc2cc1C(=O)c1ccccc1 2508013 GDYNSPPOLCIHSP-UHFFFAOYSA-N 276.291 3.769 0 40 CHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 4330196 IBTZRRWPPTVDBZ-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 4467880 CBMYJHIOYJEBSB-GCXXXECGSA-N 292.463 3.751 0 40 CHAB endogenous,in-man COC[C@H](C)Nc1nc(-c2ccc(C)cc2)cs1 8133580 KCWXEEYHUOJAKS-NSHDSACASA-N 262.378 3.565 0 40 CHAB O=C(Nc1ccc(Nc2ccccc2)cc1)C1CCOCC1 22873983 FPTMMUZWGIOCBY-UHFFFAOYSA-N 296.370 3.795 0 40 CHAB Cn1cc(C(=O)N[C@H]2CCc3ccccc32)c2ccccc21 12561870 HWTIDAGSMIBWEI-KRWDZBQOSA-N 290.366 3.596 0 40 CHAB Cc1cc(NC(=O)C23CC4C[C@@H](CC[C@H](C4)C2)C3)no1 101024397 ZMDMTPIUACZQBD-LFOFOYIVSA-N 274.364 3.528 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4OCCC[C@@]43C)[C@@H]1CC[C@@H]2O 104378926 JMNISNRAJNKYBE-XGFXEOLMSA-N 278.436 3.769 0 40 CHAB Cc1ccccc1C[S@@](=O)Cc1ccccc1F 58168118 HWAMOWIIJYRJFP-SFHVURJKSA-N 262.349 3.583 0 40 CHAB CC(C)OC(=O)/C=C/c1ccc(Cl)c(Cl)c1 57466282 NVHRDYAODYJOGX-GQCTYLIASA-N 259.132 3.958 0 40 CHAB COc1ccc(NC[C@H]2CCc3ccccc3C2=O)cc1 2522053 RJJNAJKCJVYRTR-CQSZACIVSA-N 281.355 3.552 0 40 CHAB O=C(Nc1ccccc1O)c1occc1-c1ccccc1 12875600 LJFCFQIXTOQUJO-UHFFFAOYSA-N 279.295 3.905 0 40 CHAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1C(F)(F)F 12857354 DUFCRFFCIIGWDL-WPRPVWTQSA-N 257.255 3.608 0 40 CHAB O=C(c1cccc(Cl)c1)c1ccc(F)c(F)c1 4242395 IWLJNBOTIFBIRM-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 113960513 SJNLBVYBDKCHDS-INIZCTEOSA-N 297.398 3.696 0 40 CHAB CC[C@H](C(=O)Nc1cccc([C@@H](C)O)c1)c1ccccc1 4666599 JANQIHLDHGTDLA-DYVFJYSZSA-N 283.371 3.872 0 40 CHAB CCc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 15657599 WWMFFUXARDDMIE-AWEZNQCLSA-N 283.371 3.963 0 40 CHAB CCc1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 7995032 TYGDCRUUPOQKFP-UHFFFAOYSA-N 291.354 3.743 0 40 CHAB O=C(Nc1cccnc1)c1ccc(-c2ccc(F)cc2)o1 16499589 ZRRVWRGZIQAKBX-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)o1 16990622 NFMWRTSTDGZMMI-QWHCGFSZSA-N 263.381 3.923 0 40 CHAB Cc1cc(C)cc(-c2nc3ccc(-n4cnnc4)cc3o2)c1 73640006 ILWFOXJEMQLJPQ-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB C[C@H](Cc1ccc2ccccc2n1)S[C@H](C)[C@@H](C)O 89904153 MDARMRPECQSWGD-JHJVBQTASA-N 275.417 3.668 0 40 CHAB Cc1c(Br)sc(Br)c1C 39249689 NIDAFLYKBAFSNA-UHFFFAOYSA-N 269.989 3.890 0 40 CHAB C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(F)cc1 78556235 VITAQECVULGQBJ-NSPYISDASA-N 280.339 3.975 0 40 CHAB CCc1ccccc1Nc1ccc(C(=O)NC(C)C)cc1N 225420065 BODZZBVMQYLRLX-UHFFFAOYSA-N 297.402 3.713 0 40 CHAB CCN(CC)c1nc(N2CCCCCC2)nc2ccccc12 41147996 HAIPUBRWXSTIFN-UHFFFAOYSA-N 298.434 3.856 0 40 CHAB CC1CCC(N(C)C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 225434239 KUOPHQSCCJFHPJ-OEMZWJQQSA-N 263.425 3.850 0 40 CHAB C[C@H](NC(=O)NC1CCCCC1)c1ccc2c(c1)CCC2 223260504 CWZSOZOPGHGDCW-ZDUSSCGKSA-N 286.419 3.868 0 40 CHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(CC)CC 224158331 ZFQCZUQEAYBZMP-QGZVFWFLSA-N 289.419 3.591 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc2c1OCO2 98008544 ALFDMMJMSMEFQZ-SDQBBNPISA-N 299.713 3.561 0 40 CHAB CCOCCS[C@H](C)c1nc2ccccc2o1 96496024 ZBCWIWZDSZGRAG-SNVBAGLBSA-N 251.351 3.659 0 40 CHAB CCCN(c1cccc(C(F)(F)F)c1)[C@H](CC)C(=O)O 260679637 UAOZLMMWVJFRSP-GFCCVEGCSA-N 289.297 3.785 0 40 CHAB CCOCCCCNC(=O)Nc1ccc(Cl)cc1C 47325814 NGRGNPFJZAXUSW-UHFFFAOYSA-N 284.787 3.587 0 40 CHAB Cc1nc(Cl)cc(N[C@@H]2C[C@H]2c2cccc(F)c2F)n1 72302136 FEBJQVFOQIYSSB-GXSJLCMTSA-N 295.720 3.685 0 40 CHAB CC(=O)Nc1cccc([C@@H](C)Nc2ccc3c(c2)COC3)c1 97038474 QSPXGULEAYNAKM-GFCCVEGCSA-N 296.370 3.848 0 40 CHAB Nc1c(Br)cnc2cc(C(F)(F)F)ccc12 41702277 JNJZJPRNHZGOOD-UHFFFAOYSA-N 291.070 3.598 0 40 CHAB C[C@H]1CNC[C@@H](c2ccc(Cl)c3ncccc23)C1 1772715121 DBXGCVDZFJETTD-MNOVXSKESA-N 260.768 3.601 0 40 CHAB CC(C)c1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccccc1 19454263 BRQNYTMTBOCHLP-MAUKXSAKSA-N 293.414 3.862 0 40 CHAB Cc1ccc(NC2=NN=C(c3ccccc3)CS2)cc1 5156918 ODUYOCZUOVKLNM-UHFFFAOYSA-N 281.384 3.914 0 40 CHAB COC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1C 225472935 SKEFDSZKWGLBOK-UHFFFAOYSA-N 290.750 3.761 0 40 CHAB COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1 1426043 VEDSIRNWRUEIRJ-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB CSc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1 4517530 GAJLFHGAKLYMDN-UHFFFAOYSA-N 285.368 3.863 0 40 CHAB O=C(Nc1ccccc1F)Nc1c[nH]c2ccccc12 5299934 CJKADZZIBCPJST-UHFFFAOYSA-N 269.279 3.951 0 40 CHAB O=C(Nc1ccccc1)Nc1ccc2ncccc2c1 18751 JZNREJCVLZNWHA-UHFFFAOYSA-N 263.300 3.879 0 40 CHAB Cc1ccc(N2C(=O)CSC23CCCCC3)cc1 55175217 ZVBJOGDAXWNKNV-UHFFFAOYSA-N 261.390 3.735 0 40 CHAB COc1ccc(CN[C@@H]2CCCc3ccccc32)cc1O 20133443 MTWLFDAFSBSZFM-MRXNPFEDSA-N 283.371 3.568 0 40 CHAB CCc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 30448237 YJQWUTJLLRBBED-UHFFFAOYSA-N 272.373 3.647 0 40 CHAB CC(C)C[C@H](C)N(C)C(=O)CCc1c[nH]c2ccccc12 30427529 FKCWQWKANODGJF-AWEZNQCLSA-N 286.419 3.994 0 40 CHAB Cc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 361914 UWTQMHBKIRAWCG-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccoc1 32787333 NAIOOLXPKCSROS-SNVBAGLBSA-N 263.724 3.766 0 40 CHAB O=C(N[C@@H]1CCSc2c(F)cccc21)[C@@H]1CC=CCC1 32837312 GZSIQZPAOXBNDY-BXUZGUMPSA-N 291.391 3.835 0 40 CHAB Cc1cc(C(=O)Nc2nc(C(C)C)cs2)c(C)o1 32810692 MBYRQKKNRPECJB-UHFFFAOYSA-N 264.350 3.729 0 40 CHAB Cc1cc(C)n(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)n1 34693 UIFNZABODPAWGD-GXSJLCMTSA-N 287.190 3.731 0 40 CHAB c1ccc2sc(SCCN3CCCCC3)nc2c1 175194 YMQOWFMDGBSSAX-UHFFFAOYSA-N 278.446 3.874 0 40 CHAB O=C1O[C@H]([C@H](O)c2ccc3ccccc3c2)c2ccccc21 481090 YKAHKVAXVDIUDJ-MSOLQXFVSA-N 290.318 3.785 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C 580062 CXPKFDKNORLPLI-MRXNPFEDSA-N 269.344 3.791 0 40 CHAB C[C@@H](CCCC(=O)c1ccc2ccccc2c1)C(=O)O 2043982 ZALCVDJWSHBRJP-LBPRGKRZSA-N 270.328 3.914 0 40 CHAB CCOC(=O)C(C)(C)CCCCC(C)(C)C(=O)OCC 2577584 DXWTWLAGAIQOEK-UHFFFAOYSA-N 286.412 3.725 0 40 CHAB CCCOc1ccc(/C=C2/SC(=S)N=C2O)cc1 2678030 TYZXNQHPXCWTCN-DHZHZOJOSA-N 279.386 3.805 0 40 CHAB Cc1cc2ccccn2c1C(=O)c1ccccc1F 3193683 IPICVRYBRDGEPA-UHFFFAOYSA-N 253.276 3.618 0 40 CHAB CCC[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 3633912 WPLRTQQWQHYSQW-SECBINFHSA-N 294.420 3.673 0 40 CHAB CC(C)Cc1nnc(NC(=O)c2ccccc2Cl)s1 5380784 BFAHHZZALWSLGM-UHFFFAOYSA-N 295.795 3.642 0 40 CHAB COc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 5558441 VAZBSVMOEAXUED-UHFFFAOYSA-N 295.260 3.966 0 40 CHAB CN(C(=S)Nc1ccccc1)c1ccc(Cl)nc1 6247568 XKEBUEFVWKDPGW-UHFFFAOYSA-N 277.780 3.568 0 40 CHAB CC(C)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 6383878 FWLPULZZZCESDA-UHFFFAOYSA-N 279.339 3.606 0 40 CHAB Clc1ccc(CSC2=N[C@@H]3CCCC[C@@H]3N2)cc1 6584817 XIOLXLZPIDJCEY-BETUJISGSA-N 280.824 3.844 0 40 CHAB Cc1csc(NC(=O)[C@H](C)Nc2ccc(C)c(C)c2)n1 7460200 NWVRGFDNKFSBCC-LBPRGKRZSA-N 289.404 3.507 0 40 CHAB Cc1ccc(C)c(NC(=S)NCCc2cccs2)c1 7559923 XFGJPUNQDLTFIR-UHFFFAOYSA-N 290.457 3.894 0 40 CHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccccc2C)c1 8041218 BHUOZRYQVROVQE-INIZCTEOSA-N 297.398 3.696 0 40 CHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)c1 8558266 ROWBBUGBIMDTDT-HNNXBMFYSA-N 291.435 3.868 0 40 CHAB Cc1nc2ccc(NC(=O)CCc3cccnc3)cc2s1 9368606 JDADXPZYQMXLRW-UHFFFAOYSA-N 297.383 3.571 0 40 CHAB Cc1ccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1F 13320311 DTSHIKVFHYOZIK-PHIMTYICSA-N 264.344 3.644 0 40 CHAB C[C@@H]1Cc2ccc(CO)c(/C=C/C=C/C(=O)O)c2[C@@H](C)C1 13372826 XVNDJROXVPBPBY-JREUMTCTSA-N 286.371 3.519 0 40 CHAB CCOc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 14397648 WMOKKVYWTGYLJL-AWEZNQCLSA-N 299.370 3.800 0 40 CHAB C[C@H](Oc1ccccc1)c1nc2ccc(F)cc2[nH]1 15833556 DYBFKNBUFACWRA-JTQLQIEISA-N 256.280 3.842 0 40 CHAB CC(C)c1ccc(C(=O)Nc2ccccc2N)cc1 19412250 NWNLLMIVGQEXTK-UHFFFAOYSA-N 254.333 3.645 0 40 CHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCCCC1 20051039 JQZRUKJYCFVSPM-OAHLLOKOSA-N 295.810 3.946 0 40 CHAB Cc1ccoc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 21934137 DJQXIYQIKQHUBZ-CYBMUJFWSA-N 283.371 3.958 0 40 CHAB CN(C)c1ccccc1NC(=O)c1ccc2ccccc2n1 23176115 CCHZXEPWJBEPQB-UHFFFAOYSA-N 291.354 3.553 0 40 CHAB O=C(NC1CCCCCC1)c1cn[nH]c1-c1ccccc1 28927101 JBVVNMGAALCGNS-UHFFFAOYSA-N 283.375 3.529 0 40 CHAB C[C@H](Cc1cccs1)NC(=O)c1ccc(Cl)s1 33204041 STPVTJXJWRSXDR-MRVPVSSYSA-N 285.821 3.824 0 40 CHAB N[C@@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 36379703 RFWDQVNFSXQMMI-QMMMGPOBSA-N 258.070 3.946 0 40 CHAB in-vitro Nc1ccccc1SCc1ccc(Cl)nc1 37035273 NKGPQPNXADGFBK-UHFFFAOYSA-N 250.754 3.610 0 40 CHAB CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 39975997 YEZSPKKASJGZMW-CQSZACIVSA-N 261.340 3.531 0 40 CHAB Cc1csc(NC(=O)CCOc2ccc(Cl)cc2)n1 40128472 CXDKMPGMTVGXLI-UHFFFAOYSA-N 296.779 3.513 0 40 CHAB COc1cccc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)c1 40945957 HMTQMUCHMOQONN-CQSZACIVSA-N 299.370 3.718 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(C)c1 44849894 BHNXYTYTHSIVRH-KRWDZBQOSA-N 297.398 3.777 0 40 CHAB Cc1ccncc1C(=O)c1ccc(C(F)(F)F)cc1 45028992 KPGYAOSEIRPFNS-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Clc1ccc([C@H](NC[C@@H]2CCCCO2)C2CC2)cc1 49900034 VBUGGBZITDYIBV-JKSUJKDBSA-N 279.811 3.950 0 40 CHAB CCC(C)(C)NC(=O)COc1cc(C)ccc1C(C)C 49936660 SGMQWCIXQGXYMI-UHFFFAOYSA-N 277.408 3.802 0 40 CHAB CCCCC[C@@H](C)NC(=O)[C@]1(C)CC1(Cl)Cl 55544627 KNPHRJNMNATWDE-KOLCDFICSA-N 266.212 3.655 0 40 CHAB C[C@H]1C[C@H](C)CN(c2ccc(N)cc2Br)C1 59200826 CXZDDANPVPFKSR-UWVGGRQHSA-N 283.213 3.514 0 40 CHAB CCc1ccc2oc(-c3ccc(NC(C)=O)cc3O)nc2c1 70462036 HRZOFBTUKUBECT-UHFFFAOYSA-N 296.326 3.721 0 40 CHAB CCCCN1CCC[C@@H]1c1cnc(S)cc1C 72218325 BACFDWQOOLTLLS-CYBMUJFWSA-N 250.411 3.616 0 40 CHAB O=C(NCc1ccc(F)cc1Cl)c1ccc(F)cc1 72331467 AMCKPAKKSHKLQX-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB Cc1ccccc1-c1cc(NC(=O)c2ccoc2C)n(C)n1 74285636 ZIPGFCDJOZQWGJ-UHFFFAOYSA-N 295.342 3.549 0 40 CHAB CC(C)(C)[C@@H](O)CNc1ncc(C(F)(F)F)cc1Cl 78669915 XBOCYLOIWFMXCG-VIFPVBQESA-N 296.720 3.573 0 40 CHAB CC(=O)c1c(F)cccc1N[C@H](C)C[C@@H](O)c1ccco1 95449459 PRQOVFUTSLGLHB-QMTHXVAHSA-N 291.322 3.545 0 40 CHAB O=C1CCCCN1CSCc1ccc(Cl)cc1 95460200 ZJXDAYZVIYSVLT-UHFFFAOYSA-N 269.797 3.543 0 40 CHAB C[C@H](CC(=O)O)CC(=O)c1ccc(OC(C)(C)C)cc1 95633970 ZFSMFWMVMVORHK-NSHDSACASA-N 278.348 3.548 0 40 CHAB OCc1scc(-c2ccccc2)c1-n1cccc1 96511576 MWJCKAIHMKJPNH-UHFFFAOYSA-N 255.342 3.698 0 40 CHAB Cn1cc(-c2cc(Cl)nc(C3CCCCC3)n2)cn1 96524156 AEAAAKAWOBSKJC-UHFFFAOYSA-N 276.771 3.578 0 40 CHAB CC(=O)c1ccc(C)c(NC(=O)NCCc2ccccc2)c1 96712489 GCNISLISFMAOEJ-UHFFFAOYSA-N 296.370 3.562 0 40 CHAB Cc1ccccc1CC(=O)N(CC(C)C)CC(C)C 98076884 ARHBVUKEKVQYFP-UHFFFAOYSA-N 261.409 3.678 0 40 CHAB Cc1ccc(C)c(NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1 105663105 UVKPPPDEDADINW-QAQJPARQSA-N 299.414 3.573 0 40 CHAB CCNC(=S)Nc1ccc(Sc2ccccc2)nc1 223868703 KXSSJZHRCWNPEQ-UHFFFAOYSA-N 289.429 3.539 0 40 CHAB O=C(CCSCc1ccccc1)NCC1=CCCCC1 224277207 BZWRIHHTBPLCPZ-UHFFFAOYSA-N 289.444 3.927 0 40 CHAB CCCN(c1ccc(Cl)cc1Cl)[C@H](C)C(=O)O 260680909 XRMOGWUZFSVEHO-MRVPVSSYSA-N 276.163 3.683 0 40 CHAB Cc1cc(Br)ccc1C(=O)C(F)(F)Cl 307387311 CKXSAVUJGRNVPW-UHFFFAOYSA-N 283.499 3.772 0 40 CHAB CC[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccco2)C1=O 409015463 RFBFSFVHIRAFHG-IDIMHEFGSA-N 277.345 3.671 0 40 CHAB CC(C)(C)c1ccc([P@](=O)(O)C(C)(C)C)cc1 1720996 TVQBXSAUENTUMA-UHFFFAOYSA-N 254.310 3.678 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)N(CC)Cc1ccccc1 2734733 WBIJUNIEEREOEE-GOSISDBHSA-N 297.398 3.893 0 40 CHAB Cc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1F 103920082 ILEDRAKAQIQYJU-AVGNSLFASA-N 261.340 3.899 0 40 CHAB C[C@H]1CCc2c(sc3[nH]c(=S)sc(=N)c23)C1 100058141 NBADOVNMOQHHMM-YFKPBYRVSA-N 268.432 3.625 0 40 CHAB COC[C@@H](C)Nc1nc(-c2ccc(C)cc2)cs1 8133581 KCWXEEYHUOJAKS-LLVKDONJSA-N 262.378 3.565 0 40 CHAB O=[S@@](C1=C[C@H]2C[C@@H]1C1=C2[C@H]2C=C[C@H]1C2)c1ccccc1 101037616 XDWNQKXWIIDWPR-TUKUYANVSA-N 280.392 3.830 0 40 CHAB Clc1ccc(C2=CSC3=NCCN23)c(Cl)c1 1814545 JHAOEAKSOBMXHQ-UHFFFAOYSA-N 271.172 3.710 0 40 CHAB CCOP(=O)(Cc1cc(C(C)=O)oc1C)OCC 1825986 WRMQEAKMVRLLKA-UHFFFAOYSA-N 274.253 3.557 0 40 CHAB NCC1(c2ccc(Br)cc2)CCCCC1 20429501 XOCCINPANIDWBO-UHFFFAOYSA-N 268.198 3.610 0 40 CHAB CSCc1ccc(C(=O)Nc2ccccc2F)cc1 3351264 IKLMPSRAAGDJPB-UHFFFAOYSA-N 275.348 3.941 0 40 CHAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 11202961 OIFSIKYTVKTRNM-KRWDZBQOSA-N 265.356 3.876 0 40 CHAB COc1ccc(OC)c(C(=O)Nc2ccccc2Cl)c1 12744495 VRYJYLJEIQVHTE-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1 12891308 GUYPNRCDFXGNQQ-UHFFFAOYSA-N 288.778 3.682 0 40 CHAB Cc1ccc(NC(=O)CCc2ccsc2)c(C)c1 12905342 GZQYALICMYHFDZ-UHFFFAOYSA-N 259.374 3.936 0 40 CHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1 3603106 ZADRCJPNXINCJW-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB Cc1noc2ncnc(Sc3ccccc3Cl)c12 6188481 XUOYVMBJAVNINX-UHFFFAOYSA-N 277.736 3.731 0 40 CHAB CC(C)Sc1nc(/C=C/c2cccs2)n[nH]1 14159085 YDSTZLXOSNJHSP-AATRIKPKSA-N 251.380 3.537 0 40 CHAB O=C(c1cc2ccccc2o1)N(Cc1ccco1)C1CC1 6670872 NDDHOIQHAKBMRS-UHFFFAOYSA-N 281.311 3.831 0 40 CHAB CC[C@H](C)C(=O)Nc1ccc(Br)cc1F 5665466 NKTUPMHPHWJOQA-ZETCQYMHSA-N 274.133 3.573 0 40 CHAB O=C(NCC1(c2ccccc2)CC1)NC1CCCCCC1 71823124 WMHGXALZCAUOOI-UHFFFAOYSA-N 286.419 3.740 0 40 CHAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccccc2)cc1 7222365 NXUSDYGULSSJSW-CYBMUJFWSA-N 268.360 3.688 0 40 CHAB Cc1nc(CN2CCSC[C@H]2c2ccccc2)oc1C 71909048 PJFPJYMXOWYJKB-HNNXBMFYSA-N 288.416 3.582 0 40 CHAB COc1ccccc1-c1c[nH]cc1C(=O)N1CCC[C@@H](C)C1 69569940 OJNDZGVBXBFFRL-CYBMUJFWSA-N 298.386 3.562 0 40 CHAB O=C(NCCSC1CCCCC1)c1ccccc1F 408563334 LKSWQGYNHPENJH-UHFFFAOYSA-N 281.396 3.621 0 40 CHAB Cc1cc(NC(=O)CC(C)C)ccc1-c1ccc(CO)o1 20136852 FFSWRZNVDWBKND-UHFFFAOYSA-N 287.359 3.732 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2n[nH]c3ccccc23)C1(C)C 95349079 ADYCBWQYAUTSLL-GXTWGEPZSA-N 283.375 3.740 0 40 CHAB CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccsc2)C1 95411114 PTTZMXWKFRYKDA-CHWSQXEVSA-N 298.477 3.564 0 40 CHAB CC(C)c1noc(CCN[C@@H](C)c2cccc(Cl)c2)n1 89577908 GNEPOBSASDPYIK-NSHDSACASA-N 293.798 3.740 0 40 CHAB Cc1ccc(=O)n(-c2ccc(OCc3ccccc3)cc2)c1 22051378 AIZOFIUTSSIOBR-UHFFFAOYSA-N 291.350 3.725 0 40 CHAB in-vitro CC1CCN([C@H](CN)c2ccc(Cl)cc2Cl)CC1 39142594 QAMHRNGQTWMTMW-CQSZACIVSA-N 287.234 3.725 0 40 CHAB CCSc1nn(-c2ccccc2)c(=S)s1 78391664 VPGOPPABUCAFGD-UHFFFAOYSA-N 254.405 3.775 0 40 CHAB CC[C@@H](C)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 181308369 VTNLXFTVCDXWHM-RKDXNWHRSA-N 277.334 3.511 0 40 CHAB NCCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 44397681 ZWZBDVSSIJEUOR-UHFFFAOYSA-N 256.132 3.755 0 40 CHAB COc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1C 224993642 RZJDLODWAPTSDY-UHFFFAOYSA-N 297.398 3.755 0 40 CHAB O=C(c1cnc2ccccc2c1)c1ccc(F)cc1F 45028961 PUZUCZLCBAITTL-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB O=C(Nc1ccccc1F)c1conc1-c1ccccc1 225871057 IOCZRVSRVQLIGM-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB Fc1cc(Br)c2nc(Cl)sc2c1 225307787 PXKLUPPSKHJNAB-UHFFFAOYSA-N 266.522 3.851 0 40 CHAB Cc1ccc(NC(=S)NCc2cccc(F)c2)cc1C 46415901 FAPONONGZVVUSE-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB O=C(c1ccccc1F)N1CCC(Nc2ccccc2)CC1 48292027 WPRAIJZPADLXCR-UHFFFAOYSA-N 298.361 3.542 0 40 CHAB Cc1ccc([C@@H](C)NC(=S)Nc2cccnc2)cc1C 225708747 QWABFKXUEARIEG-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB Cc1ncccc1C(=O)N(CC(F)(F)F)c1ccccc1 96409891 HOYXZSHIERIINZ-UHFFFAOYSA-N 294.276 3.599 0 40 CHAB c1csc(-c2cc(CN3CCCCCC3)no2)c1 52856791 ARQAZVWWUKKXLE-UHFFFAOYSA-N 262.378 3.779 0 40 CHAB O=C(c1ccc(C(F)(F)F)cc1Cl)C(F)F 381013904 TYPCMJBLWOUFMS-UHFFFAOYSA-N 258.573 3.807 0 40 CHAB Cc1noc(CSc2ccc3ccccc3c2)n1 73433462 YHWHCMUBFJJFBN-UHFFFAOYSA-N 256.330 3.824 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)C1(c2ccccc2)CCC1 41952537 MAKIOUQKGWTFKP-ZBFHGGJFSA-N 271.404 3.803 0 40 CHAB CC[C@@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O 168644683 ZPNYHQZRGWFLST-ZDUSSCGKSA-N 296.322 3.746 0 40 CHAB in-vitro O=C1CCCCCCCCCCC[C@@H](O)CCO1 5375085 NDMILKAXSZWKQE-CQSZACIVSA-N 256.386 3.585 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(F)c1 5557342 IBEJMSPJQHDELJ-UHFFFAOYSA-N 273.351 3.524 0 40 CHAB CCC1=C(c2ccc(OC)cc2)CC[C@@]2(CCNC2=O)[C@@H]1C 5573643 HLOROWSFWSHOTM-BFUOFWGJSA-N 299.414 3.795 0 40 CHAB CCCCOc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1 5861978 LBSZHHCKYOIUPM-UHFFFAOYSA-N 299.374 3.525 0 40 CHAB CC[C@H](C)n1c(S)nnc1COc1ccccc1Cl 11692608 QZBYOJGNPOXJMO-VIFPVBQESA-N 297.811 3.770 0 40 CHAB Cc1ccc(CSCCNC(=O)c2cccc(C)c2)cc1 18202119 BYWFDTIXVUNBRH-UHFFFAOYSA-N 299.439 3.967 0 40 CHAB CCCN(CCC)C(=O)Nc1ccc2oc(C)nc2c1 158610096 JOGXIUUSNKTXFY-UHFFFAOYSA-N 275.352 3.790 0 40 CHAB CCOc1cc(CNCC(C)C)ccc1OC(C)C 40728706 ZJQBSLJULLIILG-UHFFFAOYSA-N 265.397 3.618 0 40 CHAB O=C(CCc1cc(Cl)no1)Nc1cccc(Cl)c1 4786499 YNZHDBUCRAETDV-UHFFFAOYSA-N 285.130 3.553 0 40 CHAB Clc1ccc(CCNc2ncnc3sccc23)cc1 116005 HBWGSCWAYXGITP-UHFFFAOYSA-N 289.791 3.999 0 40 CHAB O=C(Nc1cccnc1)N1CCC[C@H]1c1ccsc1 40554866 XUMOLSUVGBXLHP-ZDUSSCGKSA-N 273.361 3.512 0 40 CHAB Cc1ccccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102324053 SDDHDXWQRZMEKY-HOSILWTGSA-N 257.377 3.550 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 102588627 IBWPVCBFEGOSML-BSWAZPDLSA-N 271.404 3.560 0 40 CHAB COC(=O)c1sc2ncccc2c1OCc1ccccc1 1387995 UVUCEVJLWLGZND-UHFFFAOYSA-N 299.351 3.662 0 40 CHAB Cn1nc(-c2ccccc2)c2ncc(C(F)(F)F)cc21 1393315 BLTFXNDUVYDRPU-UHFFFAOYSA-N 277.249 3.654 0 40 CHAB Sc1nnc(Nc2cccc3ccccc23)s1 1870197 KVUKMOJONYGVNE-UHFFFAOYSA-N 259.359 3.724 0 40 CHAB Nc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1 529873 YOZXSIIEHFGLLO-UHFFFAOYSA-N 295.367 3.700 0 40 CHAB in-vitro C[C@@H]1CCCC[C@H]1NC(=S)N(C)Cc1ccccc1F 7662512 XXIROAZEFJGYER-IUODEOHRSA-N 294.439 3.711 0 40 CHAB CSc1cccc(NC(=O)Cc2ccc(C)cc2)c1 7940586 LBQJKZXQUHCFON-UHFFFAOYSA-N 271.385 3.898 0 40 CHAB CCOc1ccc(Nc2ncnc3sccc23)cc1 7975133 UWBRTXZFNNJVFQ-UHFFFAOYSA-N 271.345 3.834 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)N(C)c1ccccc1 10285029 IQHDPLJPNOOFOO-AWEZNQCLSA-N 285.412 3.971 0 40 CHAB CCOc1ccc(NC(=O)CCc2ccccc2F)cc1 8266994 IQTPOKHNAKOKLQ-UHFFFAOYSA-N 287.334 3.796 0 40 CHAB O=C(Nc1onc2c1CCCC2)c1ccc2ccccc2c1 8976606 OYRIRSNRVWGUGU-UHFFFAOYSA-N 292.338 3.959 0 40 CHAB Cc1ccc(C)c(CC(=O)NC2CCCCCC2)c1 20041157 RGKJCJVBUPFODE-UHFFFAOYSA-N 259.393 3.685 0 40 CHAB Cc1cc(C)c2nc(S[C@@H]3CCOC3=O)cc(C)c2c1 12532462 AVUUKLPJAUFQCC-CYBMUJFWSA-N 287.384 3.568 0 40 CHAB Cc1ccc(SCCNC(=O)c2cccc(C)c2)cc1 9888995 CDCRQYYOMNXZJA-UHFFFAOYSA-N 285.412 3.826 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)o1 106676930 LQQKRDBOGCWELK-JTQLQIEISA-N 292.404 3.833 0 40 CHAB Fc1ccc(-c2csc(N3CCSCC3)n2)cc1 1405933 IPHXTOIAKFRZBQ-UHFFFAOYSA-N 280.393 3.502 0 40 CHAB COC(=O)c1cc(Cl)cc(Cc2ccccc2)c1OC 57352752 APYDNAYDQWLJEC-UHFFFAOYSA-N 290.746 3.726 0 40 CHAB O=C(NCc1cccs1)c1ccc(C(F)(F)F)cc1 3373194 HCIDPGNLXHDXEO-UHFFFAOYSA-N 285.290 3.697 0 40 CHAB COC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 20220899 XKKXUJBFTOXJIC-UHFFFAOYSA-N 254.644 3.526 0 40 CHAB O=C(CCC1CCCCC1)N1CCc2ccccc21 3344033 XKTYVXBEPMOJMV-UHFFFAOYSA-N 257.377 3.936 0 40 CHAB O=C(c1ccoc1)N1CCC[C@H]1c1nc2ccccc2s1 12924582 NDLHYMRDKZJORM-ZDUSSCGKSA-N 298.367 3.867 0 40 CHAB Fc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1 3896478 XVXCBOREIQJWKT-UHFFFAOYSA-N 296.349 3.890 0 40 CHAB Cc1ccccc1CNC1(c2ccc(F)cc2)CCOCC1 69925400 ZFDHRXXAOFOPOH-UHFFFAOYSA-N 299.389 3.930 0 40 CHAB CC(C)c1noc2ncc(C(=O)Nc3ccccc3F)cc12 8734246 JCVSFEOUBDFZEP-UHFFFAOYSA-N 299.305 3.738 0 40 CHAB C[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 6253434 FXEYREUKSBZEDG-ZDUSSCGKSA-N 253.345 3.712 0 40 CHAB Cc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)O 6302769 XNDPMYLCPLGMCJ-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CCCCC[C@@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 5464282 IJACBDGJIVFLHN-AORWBKJGSA-N 289.375 3.514 0 40 CHAB Clc1ccc2[nH]c(-c3ccc(Cl)nc3)nc2c1 15987525 SIIKHDKPKYMOGJ-UHFFFAOYSA-N 264.115 3.932 0 40 CHAB CCn1nc(C)cc1NC(=O)Nc1ccc(C(C)C)cc1 28579477 BSIANZHRBZXASV-UHFFFAOYSA-N 286.379 3.979 0 40 CHAB Cc1cccc(N[C@@H](C)c2ccc(N3CCOC3=O)cc2)n1 97037074 PVENBUAWALTSPM-ZDUSSCGKSA-N 297.358 3.520 0 40 CHAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2)cc1 26048820 ZGTJPDDZKNIEJT-CYBMUJFWSA-N 299.370 3.585 0 40 CHAB Nc1nc2cc(-c3ccccc3)cc(Br)c2o1 73638087 BFCLVOXDAQVQFO-UHFFFAOYSA-N 289.132 3.840 0 40 CHAB CNc1cc(C)c([C@@H]2CCCN2Cc2ccccc2)cn1 72219029 JIKHSVKCPHDXPW-KRWDZBQOSA-N 281.403 3.769 0 40 CHAB Cc1ccc([C@H](C)NC(=S)Nc2cccnc2)c(C)c1 225479256 RZTPHIUBYPKFBP-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)c2ccccc2)c(C)c1 223498813 JGZQQCPYEFPGJU-OAHLLOKOSA-N 267.372 3.723 0 40 CHAB CC[C@H](C)Oc1ccc(NC(=O)C(F)(F)F)cc1C 225587719 IWIQHPAYKKHTNL-VIFPVBQESA-N 275.270 3.673 0 40 CHAB Cc1ccc(OCCCC(=O)NCC2=CCCCC2)cc1 224142837 YSLNJTAZVOXSMY-UHFFFAOYSA-N 287.403 3.771 0 40 CHAB CC(C)(C)c1cnc(SCc2nnsc2Cl)o1 95416500 OUPZYVHSHCJNSL-UHFFFAOYSA-N 289.813 3.769 0 40 CHAB O=C1Nc2ccccc2S/C1=C\c1ccc2c(c1)OCO2 71400 JCOARHASJNBDCZ-NVNXTCNLSA-N 297.335 3.501 0 40 CHAB CC(C)(C)OC(=O)CCCCCCCCCCN 140149313 LEMMJNALIIDDRY-UHFFFAOYSA-N 257.418 3.798 0 40 CHAB O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1 3169575 OLOVUQJAKVFPTB-VQHVLOKHSA-N 292.132 3.694 0 40 CHAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 5860306 ZHGZQCFSWZAJLM-JTQLQIEISA-N 293.725 3.885 0 40 CHAB CCc1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 5295052 JADMXKRVMLFCSE-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB COc1ccc([C@@H]2ON(c3cccc(C)n3)CC=C2C)cc1 5579686 QIDAYJGMKNVDSV-GOSISDBHSA-N 296.370 3.838 0 40 CHAB COc1ccc([C@]2(C)NN=C(c3ccc(C)cc3)S2)cc1 5745636 PVUHQJKLXJUZGL-QGZVFWFLSA-N 298.411 3.875 0 40 CHAB CC[C@H](C)n1c(S)nnc1COc1ccc(Cl)cc1 11692610 RASWHQOZSDOCIN-VIFPVBQESA-N 297.811 3.770 0 40 CHAB CCC[C@H](NC(=O)c1ccnn1C(C)C)c1cccs1 12146571 YGRWREDHIJDGKC-LBPRGKRZSA-N 291.420 3.797 0 40 CHAB Ic1csc2ccccc12 15042979 XTYKQNXIPVCRJE-UHFFFAOYSA-N 260.099 3.506 0 40 CHAB COc1ccc(C(=O)Nc2ncc(Cl)cc2Cl)cc1 19014988 BTSYYCRMKMJNMI-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB Cc1nc2ccc(NC(=O)C3CCCC3)cc2s1 2638793 BTTAMVHZTHWLME-UHFFFAOYSA-N 260.362 3.733 0 40 CHAB CC(C)(C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 3417333 JLSQNEPHIUWDMB-RMKNXTFCSA-N 271.282 3.633 0 40 CHAB C[C@H](c1ccccc1)N1CCC(N(C)c2ccccn2)CC1 1889130362 SBXGBZLNUNGMCE-MRXNPFEDSA-N 295.430 3.743 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)c(C)c1 22389286 OQCAYCCANWJJPD-UHFFFAOYSA-N 295.386 3.551 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(F)ccc1F 37108895 IAMGFNGSPYKABR-SNVBAGLBSA-N 273.282 3.556 0 40 CHAB Cc1nccn1CCNc1nc2ccc(Cl)cc2s1 42379483 QEICTAHTIYUXOB-UHFFFAOYSA-N 292.795 3.567 0 40 CHAB O=c1oc(-c2ccccc2)nc2c1oc1ccccc12 4029926 RUCMBASSSMBWEW-UHFFFAOYSA-N 263.252 3.601 0 40 CHAB biogenic CCSc1ccccc1C(=O)N1CCC(C)CC1 7068851 UILYZIQVPQMQBU-UHFFFAOYSA-N 263.406 3.671 0 40 CHAB Cc1cc(NC(=O)c2ccccc2-c2ccccc2)no1 20356898 UBNXSIQULJTIOK-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB CCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OC 136996 VEOHYGKOFJTEDW-GXDHUFHOSA-N 295.338 3.587 0 40 CHAB O=C(O)c1cccc2c(-c3ccc4c(c3)CCCC4)[nH]nc12 31991050 UIMFUHCXRZORNV-UHFFFAOYSA-N 292.338 3.807 0 40 CHAB CC1(C)C[C@@](O)(Cc2ccccc2)[C@@](C)(O)c2ccccc21 1744847 PCXPIXWGOMLLDR-PMACEKPBSA-N 296.410 3.549 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1 3607852 FCYQVNAXNNRNIE-GFCCVEGCSA-N 273.307 3.540 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)C1(c2ccccc2)CCC1 41952543 MAKIOUQKGWTFKP-GDBMZVCRSA-N 271.404 3.803 0 40 CHAB CCCCCC[C@]1(CC)NC(=S)N(c2ccccc2)N1 6783018 CBYSSFMMQHOZIL-MRXNPFEDSA-N 291.464 3.962 0 40 CHAB Cc1ccc2[nH]c(C)c(CCNCc3ccncc3)c2c1 22628197 NQLIWHVTGYMGFC-UHFFFAOYSA-N 279.387 3.512 0 40 CHAB O=C(CCC1CCCC1)N1CCc2sccc2C1 54994850 GXEJTSQFWRMCHF-UHFFFAOYSA-N 263.406 3.603 0 40 CHAB Cc1cc(Br)c(O)c(C(=O)C(C)(C)C)c1 52068557 RFLOTMMSBGBSSB-UHFFFAOYSA-N 271.154 3.692 0 40 CHAB CCCC(=O)Nc1cc(N(CC)CC)c(N)cc1Cl 57326716 QPVDVRPBYYAYPD-UHFFFAOYSA-N 283.803 3.507 0 40 CHAB COc1ccc(COC(=O)N/C=C/c2ccc(C)cc2)cc1 1388871 PXBOUSFTLCPDNW-VAWYXSNFSA-N 297.354 3.901 0 40 CHAB CCOCC(=O)Nc1cccc(C2SCCCS2)c1 25693852 WMGGCWSSNCMTGK-UHFFFAOYSA-N 297.445 3.530 0 40 CHAB CC(=O)O[C@@]12Cc3ccccc3[C@H]3[C@@H](c4ccccc41)[C@@H]32 101043443 PCAWJPSEUIOFNG-MANSERQUSA-N 276.335 3.512 0 40 CHAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccccc1Cl 100227583 BRIMBVNNBNSQCR-CXAGYDPISA-N 299.805 3.700 0 40 CHAB CC(C)(C)NCc1ccc(-c2ccc(C(=O)O)cc2)o1 20875459 ZDLLJYDUSXAOFT-UHFFFAOYSA-N 273.332 3.533 0 40 CHAB O=C(/C=C/c1ccco1)OCc1nc2ccccc2s1 3248078 YZNTYRAKLRWNBO-BQYQJAHWSA-N 285.324 3.646 0 40 CHAB Cc1nc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2)cs1 10035616 CNALMXFAMHWZOD-BZYZDCJZSA-N 286.400 3.684 0 40 CHAB COc1ccccc1NC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101012845 KSASYBXWKGARSH-REWJHTLYSA-N 288.391 3.641 0 40 CHAB Clc1ccccc1C1(c2ccccc2)OCCO1 2392522 AHXGGIMSWUGAFT-UHFFFAOYSA-N 260.720 3.588 0 40 CHAB Cc1ccc(-c2nnc(CN(C)Cc3ccccc3)o2)cc1 6661589 YVCPHCHEGFJUTP-UHFFFAOYSA-N 293.370 3.677 0 40 CHAB Cc1ccccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 15629087 DYKXIUSZPUYMED-HNNXBMFYSA-N 287.746 3.591 0 40 CHAB Cc1ccccc1C(=O)N1CCc2cc3ccccc3nc21 15841741 OBIDBDDQUXCXEN-UHFFFAOYSA-N 288.350 3.746 0 40 CHAB CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(Cl)s1 23993842 VXBFHTFNJXCAEA-VIFPVBQESA-N 295.857 3.505 0 40 CHAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)cc1 4218484 WFABACNPVFIEPX-NLKGSNSHSA-N 286.371 3.618 0 40 CHAB Cc1cc(OCCCCF)ccc1Br 308454349 JLUHCNSYOMBDSJ-UHFFFAOYSA-N 261.134 3.886 0 40 CHAB CCCC/C(Cl)=C/S(=O)(=O)c1ccccc1 4761318 AOTBTASCGUKLBK-KHPPLWFESA-N 258.770 3.731 0 40 CHAB Cc1cc2ccccc2cc1COC(=O)C(F)(F)F 3848323 FUJRCNPNDKGUDH-UHFFFAOYSA-N 268.234 3.754 0 40 CHAB biogenic Fc1cccc([C@@H]2NCc3ccccc3-n3cccc32)c1F 55211080 XEZKNBOSTNZURO-SFHVURJKSA-N 296.320 3.948 0 40 CHAB Clc1ccc(CNc2cc(-c3ccco3)n[nH]2)cc1 72243027 CISIUTMQDARLJL-UHFFFAOYSA-N 273.723 3.935 0 40 CHAB Cc1cc(C)c([C@H](C)NC(=O)C2CCCC2)cc1C 223494955 FKGOZUKUYHGPBH-AWEZNQCLSA-N 259.393 3.979 0 40 CHAB CC(C)Oc1cccc(CNC(=O)c2cccc(F)c2)c1 46656174 HKSXCNZDHLJMPZ-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(C2CC2)[nH]n1 41452709 SAZZDRULGUJQLY-UHFFFAOYSA-N 296.157 3.846 0 40 CHAB Cc1cc(NC(=O)C(F)(F)F)ccc1OCC(C)C 225587766 WLEZZRINQNJVMF-UHFFFAOYSA-N 275.270 3.531 0 40 CHAB COc1cccc(-c2cnc(-c3cccc(N)c3)o2)c1 226103160 PPNZHVQYQXGBMZ-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)OC=O 145761779 AHZYNUWTBDLJHG-DFMBRWPFSA-N 250.382 3.791 0 40 CHAB CCCn1cc(NCc2cc(F)cc3cccnc23)cn1 90191543 WSKIPBKTNMLLEW-UHFFFAOYSA-N 284.338 3.593 0 40 CHAB O=C(C[C@H]1CCCN1C(=O)c1cccs1)c1ccccc1 95409723 TUKVGJLEUIWEFG-CQSZACIVSA-N 299.395 3.626 0 40 CHAB COc1ccc(F)cc1C(=O)c1ccc(F)c(Cl)c1 95916935 COJAIHIPEMHSMN-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB COc1cc(OC)cc(C(=O)c2cc(Cl)ccc2F)c1 95916743 OWOLFNHOWAOUTM-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB CCC[C@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 32795124 IUUOHPFRCBCEKR-VHSXEESVSA-N 270.323 3.514 0 40 CHAB CC(C)NC(=O)Nc1cccc(SC(F)F)c1 67356036 SNRYXEGWZQOYSW-UHFFFAOYSA-N 260.309 3.531 0 40 CHAB COc1cc(C2([C@H](N)CC(C)C)CCC2)ccc1C 1772714954 KJKLHGSCWOGTAR-MRXNPFEDSA-N 261.409 3.799 0 40 CHAB O=C(CCCOc1ccc(Cl)cc1)NC1CCCC1 14401592 AQXFIGOBCOYZAA-UHFFFAOYSA-N 281.783 3.558 0 40 CHAB Clc1cccc(CN2CC[C@H]3NCCCC[C@H]32)c1Cl 19712568 QASQSRMPBLODRI-ZIAGYGMSSA-N 299.245 3.710 0 40 CHAB CCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 8227246 WLUBHSXAPYCBNW-UHFFFAOYSA-N 285.387 3.692 0 40 CHAB CCOC(=O)c1ccc(C(=O)[C@@H](CC)c2ccccc2)o1 575361879 QHLSFNDTZYIAMC-ZDUSSCGKSA-N 286.327 3.833 0 40 CHAB CCSc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 6439958 GCEHVSRQHQUQIF-CHWSQXEVSA-N 277.433 3.917 0 40 CHAB CC(C)(C)CC(=O)N[C@H](c1ccccc1)C(F)(F)F 40145426 HSOUMNLKFJIKCU-GFCCVEGCSA-N 273.298 3.842 0 40 CHAB O=C(Nc1cccc(Oc2ncccn2)c1)[C@@H]1CC=CCC1 32027241 YCXFKJIGMQODJF-CYBMUJFWSA-N 295.342 3.564 0 40 CHAB CC[C@H](C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 32895527 BVDRLUUODRXIOK-LBPRGKRZSA-N 286.375 3.580 0 40 CHAB COC(=O)c1ccc(CN(C)[C@H]2CCc3ccccc32)cc1 29811086 HDZHSFJQXXIVIO-SFHVURJKSA-N 295.382 3.593 0 40 CHAB O=C(NCc1ccc(F)cc1)c1cccc(-n2cccc2)c1 8728844 IPJRJFCKPVYEBD-UHFFFAOYSA-N 294.329 3.546 0 40 CHAB COc1ccccc1C(=O)Nc1c(C)cccc1Cl 1590163 CTKGCJMTRXKEOP-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB O=C1O[C@@H](c2ccccc2)C[C@@H]1Cc1ccccc1 1597595 FFDIWTPEXKMPOY-JKSUJKDBSA-N 252.313 3.534 0 40 CHAB O[C@H](c1cc2c(c3ccccc13)CCCC2)[C@@H]1CCCCN1 1706373 OBRVSZOCVKHAJH-VQTJNVASSA-N 295.426 3.894 0 40 CHAB CCn1c(C)cc(C(=O)Nc2ccccc2C)c1C 22006210 FLLPEFXMQOOXFB-UHFFFAOYSA-N 256.349 3.686 0 40 CHAB O=C(c1ccc(Cl)cc1)n1ccc2ccccc21 506288 BSHZKBGFYKXEDS-UHFFFAOYSA-N 255.704 3.983 0 40 CHAB Cc1ccc(F)c(NC(=O)c2ccc(OC(F)F)cc2)c1 6308390 MXOKQKNBUCIIRT-UHFFFAOYSA-N 295.260 3.988 0 40 CHAB COC(=O)c1ccc(CSCc2ccccc2)cc1 20301736 KXOKENPIVVIVMA-UHFFFAOYSA-N 272.369 3.907 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999210 GZLMXKGDLFLCCX-XKVFNRALSA-N 291.822 3.823 0 40 CHAB O=C(Nc1ccccc1)N(Cc1ccccc1)C1CC1 25234943 XZDDRQODOBUZIP-UHFFFAOYSA-N 266.344 3.883 0 40 CHAB Cc1ccccc1-c1noc(CN2CCc3ccccc32)n1 12562286 HZFDGOOIVUKOOB-UHFFFAOYSA-N 291.354 3.608 0 40 CHAB CCN(Cc1ccncc1)C(=O)C[C@H](C)c1ccccc1 57026873 WSFOIFDWBZHKBY-HNNXBMFYSA-N 282.387 3.624 0 40 CHAB CCCC[C@H]1OC[C@]2(COC(C)=O)[C@H](C)C=C(C)[C@@H]1[C@H]2C 100740805 PTOBLQWYQHCBCQ-RTKZEXODSA-N 294.435 3.973 0 40 CHAB Cc1ccnc(NC(=O)c2csc3c2CCCC3)c1 27646228 DIYOIGFCFNIXKJ-UHFFFAOYSA-N 272.373 3.583 0 40 CHAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@@H](O)C[C@@H]12 118933804 ZWUOTDQQNZPUOC-ULTMTAQRSA-N 290.447 3.527 0 40 CHAB CCCOC[C@H](O)Cn1c2ccccc2c2ccccc21 2279591 OYCZGFVPMIFHCL-CQSZACIVSA-N 283.371 3.582 0 40 CHAB O=C(NCC(c1ccccc1)c1ccccc1)C1CCC1 36764699 RUGMEZWOBNEHSS-UHFFFAOYSA-N 279.383 3.735 0 40 CHAB Cc1ccc(CNC(=S)c2ccc(F)cc2)cc1 408575365 UOAXFBZMPCIBBW-UHFFFAOYSA-N 259.349 3.599 0 40 CHAB COc1ccccc1C(=O)c1ccccc1CN1CCCC1 2515545 UPEUBFRAALBIIO-UHFFFAOYSA-N 295.382 3.522 0 40 CHAB CCOc1cc(O)cc2oc(-c3ccccc3)cc(=O)c12 11865282 SGFJWXLZCYVKLC-UHFFFAOYSA-N 282.295 3.564 0 40 CHAB biogenic COc1ccccc1NC(=O)Cc1coc2cc(C)ccc12 3481770 LGLSAWWQVQSWCG-UHFFFAOYSA-N 295.338 3.931 0 40 CHAB CCCCNC(=O)c1c(Cl)nc(Cl)c(Cl)c1C 3664458 NDLATMUHSZAGAN-UHFFFAOYSA-N 295.597 3.880 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2ccccn2)c(C)c1 13331881 SLFIOOYANZSNRS-CYBMUJFWSA-N 269.348 3.581 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(C)c(OC)c1 14170448 KQQJHYXQYYPAPO-UHFFFAOYSA-N 269.344 3.818 0 40 CHAB CC1CCN(Cc2cccc(Br)c2)CC1 14193630 ZPPMCBFMFIKNOV-UHFFFAOYSA-N 268.198 3.681 0 40 CHAB CCC[C@@H](C)NC(=O)/C=C/c1ccccc1Cl 4590680 WEKQAIGQGHZRAC-PBQZMEPESA-N 251.757 3.658 0 40 CHAB Cc1noc(C)c1COC(=O)c1cc2c(s1)CCCC2 6933618 PURWCBSRPGLGEP-UHFFFAOYSA-N 291.372 3.589 0 40 CHAB C[C@@H](NCc1ccccn1)C12CC3CC(CC(C3)C1)C2 4935079 OEWQNQVEKGVCBE-ZZFFKQLHSA-N 270.420 3.776 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)NCCC(C)C 15511896 WJFHWDCIOBVVGA-UHFFFAOYSA-N 288.416 3.894 0 40 CHAB COc1cccc(NC(=O)CCOc2cc(C)ccc2C)c1 16030035 ZDHGGKGJSOMTJB-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB Cc1ccc2c(CC(=O)N[C@H](C)C(C)C)coc2c1C 17054428 AVYCCPJAHCENSB-CYBMUJFWSA-N 273.376 3.753 0 40 CHAB O=c1[nH]c2ccccc2nc1/C=C/c1ccccc1Cl 17290174 XWFRGZASARPFOI-MDZDMXLPSA-N 282.730 3.747 0 40 CHAB CC[C@@H](C)Oc1cccc(N[C@H](C)c2cnccn2)c1 70479610 LVFJGCRYNIVULP-CHWSQXEVSA-N 271.364 3.827 0 40 CHAB Cc1nc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)cs1 95422168 DXOAEFMLFRGKTR-WDEREUQCSA-N 278.425 3.641 0 40 CHAB Cc1ccc([C@H](C)NC(=O)COc2cccc(C)c2)cc1 113968914 OOUUNYIEXLPWJU-HNNXBMFYSA-N 283.371 3.560 0 40 CHAB Cc1cccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)n1 24567919 XFLDILYMDHAUOI-UHFFFAOYSA-N 297.333 3.500 0 40 CHAB O=C(c1cccc(Cl)c1)c1cc(F)ccc1F 34976481 MCCNDLCRRAXFIQ-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB COC(=O)c1cc(Cl)ccc1OCc1ccc(F)cc1 216805744 LFNPRFIRIOWFGB-UHFFFAOYSA-N 294.709 3.845 0 40 CHAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1C(C)C 72218881 ZOEBPJDOMHNBPW-QGZVFWFLSA-N 287.451 3.926 0 40 CHAB Cc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72211317 NXDVDUGTCDCVPP-CQSZACIVSA-N 276.380 3.852 0 40 CHAB CCOc1ccc(NC(=O)c2cnc(C(C)C)nc2C)cc1 222572085 PGPJWZZUZQBZRS-UHFFFAOYSA-N 299.374 3.559 0 40 CHAB CC1=CC(C)(C)Nc2cc(I)ccc21 199806652 PXLCKJZSVJVHCO-UHFFFAOYSA-N 299.155 3.899 0 40 CHAB C[C@H]1COC(=O)N(c2cccc(-c3ccc(C=O)cc3)c2)C1 44563531 BZNANMAXMBXYDX-CYBMUJFWSA-N 295.338 3.759 0 40 CHAB CC[C@H](C)c1ccccc1OCC[C@@H]1CCCNC1 42772478 XYFBXOLZRMMDCB-GJZGRUSLSA-N 261.409 3.969 0 40 CHAB O=C(c1ccc2ccccc2c1)N1CCC(CF)CC1 296049543 XUNPZUWYBJNOED-UHFFFAOYSA-N 271.335 3.662 0 40 CHAB CSCCC(=O)c1ccc(F)cc1C(F)(F)F 382736211 XAJWVLPHHOJHFF-UHFFFAOYSA-N 266.259 3.780 0 40 CHAB CN(C)CCC1=C(c2ccccc2)c2ccccc2C1 3621331 MPVCQODICRVNLA-UHFFFAOYSA-N 263.384 3.996 0 40 CHAB in-vitro NCc1ccc(-c2cccc(C(F)(F)F)c2)cc1 5762952 JQLZMRAHLKTQOJ-UHFFFAOYSA-N 251.251 3.831 0 40 CHAB Cc1cc(C)cc(NC(=O)C2(c3ccccc3)CC2)c1 15076505 BJKSLJDVHWLKET-UHFFFAOYSA-N 265.356 3.974 0 40 CHAB S=c1[nH]nc(/C=C/c2ccc(Cl)c(Cl)c2)[nH]1 16957328 PKUYZOUOVQFRAP-DUXPYHPUSA-N 272.160 3.944 0 40 CHAB COc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1 161028 FSVXPKJYQMILMB-UHFFFAOYSA-N 270.259 3.608 0 40 CHAB CCN(CC)CCOc1ccc(-c2ccc(O)cc2)cc1 3594346 YCKUOPWKLVXKQZ-UHFFFAOYSA-N 285.387 3.780 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)ccc2C)c1C 5005605 KFKOUZQLHGDFDU-UHFFFAOYSA-N 284.359 3.703 0 40 CHAB Cc1cccc(NC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102588755 LMBPCPDQHYOTBR-HOSILWTGSA-N 272.392 3.941 0 40 CHAB CC[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)s1 13745642 SACMWSKHUSPZTQ-JGVFFNPUSA-N 260.790 3.560 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1ccccc1Cl 41081579 XVBRSZWASZTNFP-UHFFFAOYSA-N 290.750 3.843 0 40 CHAB Nc1cc(-n2cccc2)ccc1Oc1ccccc1 8702384 PFDIDGQERUSATN-UHFFFAOYSA-N 250.301 3.852 0 40 CHAB CCc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C 40023818 MFGCQJWNEXKTSU-JSGCOSHPSA-N 260.381 3.949 0 40 CHAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1-c1ccco1 100887962 BMFYLIVNFBIFOS-RHYQMDGZSA-N 289.404 3.824 0 40 CHAB in-vitro COc1cccc(NC(=O)Nc2cccc(F)c2C)c1 51354496 LIDMMFHKJNMBAZ-UHFFFAOYSA-N 274.295 3.787 0 40 CHAB CC[C@H](C)[C@@H](C(=O)Nc1nnc(C)s1)c1ccccc1 32992757 CGDCBCPFRCOMTF-GXFFZTMASA-N 289.404 3.615 0 40 CHAB Fc1ccc2[nH]c3c(NCc4ccccc4)ncnc3c2c1 497691 IWXSCAADRHFFDE-UHFFFAOYSA-N 292.317 3.862 0 40 CHAB Cc1ccc(OCCCC(=O)NCc2ccccc2)c(C)c1 1913955 COVKBAOVWZSISO-UHFFFAOYSA-N 297.398 3.779 0 40 CHAB CCCOc1ncnc2c1[nH]c1ccc(Cl)cc12 2437367 UOXOGMMZUKRYFM-UHFFFAOYSA-N 261.712 3.553 0 40 CHAB Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3)o2)cc1 2663435 LALMQWIIPNIIDJ-UHFFFAOYSA-N 294.314 3.689 0 40 CHAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(C)cc1C 3440720 NACHZHPLHIEIAQ-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB CCOP(=O)(OCC)[C@@H](O)c1ccccc1Cl 3633615 KNNOLDBXUGCESB-LLVKDONJSA-N 278.672 3.597 0 40 CHAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccco1)C2 4992920 GZCLAYWRQNNOMJ-ZDUSSCGKSA-N 292.338 3.686 0 40 CHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccsc1 4997863 NKJSTDSUCZZEGM-KPKJPENVSA-N 289.743 3.746 0 40 CHAB CCCCCNC(=O)c1c(Cl)cccc1Cl 5418596 HKLQOENQGOXQKM-UHFFFAOYSA-N 260.164 3.913 0 40 CHAB CC(C)c1ccc(C(=O)NCc2ccccc2F)cc1 5630787 FWHROAFVRWGRNL-UHFFFAOYSA-N 271.335 3.879 0 40 CHAB Cc1cccc(NC(=S)N[C@H]2CCCC[C@@H]2C)c1 5689552 ZLFLSCGLBHIOKM-JSGCOSHPSA-N 262.422 3.860 0 40 CHAB O=C1Oc2ccccc2C1(c1ccccc1)c1ccccc1 5946656 FUCLRPQWVNEVKT-UHFFFAOYSA-N 286.330 3.940 0 40 CHAB Cc1cccc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)c1 7503412 JBXNUSHBVOQUJO-UVTDQMKNSA-N 296.757 3.968 0 40 CHAB CCc1ccc(-c2cc[n+]3cc(Cl)ccc3n2)cc1 8201648 MOQDMPSCSPAUHR-UHFFFAOYSA-N 269.755 3.703 0 40 CHAB O=C(NCC(F)(F)F)c1cccc(Oc2ccccc2)c1 8394860 SCHLHHWISMVLDF-UHFFFAOYSA-N 295.260 3.771 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NC2CCCCCC2)cc1C 8498280 BBZGWALVFGWBQS-HNNXBMFYSA-N 289.419 3.910 0 40 CHAB Cc1ccc(-c2nc(C)cc(NCCCCCCN)n2)cc1 8731093 QWBDZPMZJBVTHJ-UHFFFAOYSA-N 298.434 3.691 0 40 CHAB CC(=O)c1cccc(OCc2cc(-c3ccco3)on2)c1 9049276 ZPSCWKDLYRKHNN-UHFFFAOYSA-N 283.283 3.716 0 40 CHAB O=C(CSc1ccc2ccccc2c1)Nc1cccnc1 12526739 OFFFBSHYJYAMFV-UHFFFAOYSA-N 294.379 3.966 0 40 CHAB CC(C)[C@H](C)NC(=O)Cc1csc(-c2ccccc2)n1 12592618 LPCFKNLXEMYSNA-LBPRGKRZSA-N 288.416 3.513 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1cccc2c1CCCC2 12893235 UNFOMLZWNMQIHJ-UHFFFAOYSA-N 298.386 3.742 0 40 CHAB COC(=O)CCCCCCCCCCCCCO 14510373 VBKONVSYRQSMHY-UHFFFAOYSA-N 258.402 3.833 0 40 CHAB COc1ccc(Cc2c[nH]c3ccccc23)cc1OC 15017269 ZBVGJYCCVOZBOC-UHFFFAOYSA-N 267.328 3.776 0 40 CHAB C[C@@H](NC(=S)Nc1ccccc1)c1ccc(F)cc1 16316002 FTAPCXPJYLHSGB-LLVKDONJSA-N 274.364 3.873 0 40 CHAB Cc1c(N)cccc1C(=O)Nc1ccccc1C(F)(F)F 19385519 NMVMYCLVXNNXQZ-UHFFFAOYSA-N 294.276 3.848 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N)cc1C 19736388 VAPWXNINIDLYNX-KRWDZBQOSA-N 298.386 3.682 0 40 CHAB COc1ccccc1CNCc1ccc([C@@H]2C[C@@H]2C)o1 19903145 OCXJFPCMNYLICT-SWLSCSKDSA-N 271.360 3.701 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1OC 20462078 HJMISOJFTUQBSG-CYBMUJFWSA-N 299.370 3.664 0 40 CHAB Cc1[nH]c2c(C(=O)N3CCC[C@H](C)C3)cccc2c1C 24546634 VDHMKNKDDOKVTB-NSHDSACASA-N 270.376 3.657 0 40 CHAB O=C(CCc1cc2ccccc2o1)NC1CCCCC1 28085831 XZTXJDCDXQIWDT-UHFFFAOYSA-N 271.360 3.814 0 40 CHAB CN(Cc1cccs1)C(=O)c1cc2ccccc2[nH]1 31524440 OOYQDQIEYKDWNX-UHFFFAOYSA-N 270.357 3.502 0 40 CHAB Cc1cccc(NC(=O)[C@H](C)Sc2ccccc2)n1 32721921 NTVJYFHJUSRBMX-LBPRGKRZSA-N 272.373 3.509 0 40 CHAB O=C(Nc1ccc2ccccc2n1)[C@@H]1CC=CCC1 32736067 YGOKPPXIZWUZKJ-CYBMUJFWSA-N 252.317 3.530 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccoc1 32787337 NAIOOLXPKCSROS-JTQLQIEISA-N 263.724 3.766 0 40 CHAB Cc1cc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)sc1C 40108235 QBRMVSMLNQTGQO-BXUZGUMPSA-N 295.448 3.690 0 40 CHAB C[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 40159038 OTGKAGOMQDAVTD-LBPRGKRZSA-N 273.405 3.858 0 40 CHAB CC(C)(C)CC(=O)NCCCSc1ccccc1 40160514 UBFXOODRFZHIAI-UHFFFAOYSA-N 265.422 3.721 0 40 CHAB Cc1cccc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)n1 66812282 KTCZSUGYROFYHA-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB O=C(Nc1cnccc1Oc1ccccc1)c1ccncc1 69421307 IQUJLYYGJALKJE-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB Cc1cc(F)ccc1-c1ccc([C@H]2C[C@@H]2C(=O)O)o1 70452831 LEFFUGLUDJNNAR-RYUDHWBXSA-N 260.264 3.582 0 40 CHAB CC[C@H](C)Sc1nnc(Cc2ccccc2OC)o1 78838333 RVKUFGMNIKMECZ-JTQLQIEISA-N 278.377 3.560 0 40 CHAB CCc1ncc(CNc2ccc(-n3ccnc3)cc2)s1 89296029 OQZPTQSXRVRGTD-UHFFFAOYSA-N 284.388 3.503 0 40 CHAB C[C@H]1CCCC[C@@H]1Nc1cccc(N2CCOCC2)c1 95360922 RZFNJOKDWRMMOI-YOEHRIQHSA-N 274.408 3.514 0 40 CHAB O=C(c1ccc(F)cc1)c1ccc(Cl)c(F)c1 95916248 GPERFCMFYGVRPT-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CC(C)C[C@@H]1CCCCCN1C(=O)CCc1cscn1 96418989 CFOOSWNCTASJEY-HNNXBMFYSA-N 294.464 3.893 0 40 CHAB COc1ccc(CCCNC(=O)c2ccc(C)cc2C)cc1 96727049 ZPQBUQYIDXDPGX-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 101489905 LMBPCPDQHYOTBR-NHIYQJMISA-N 272.392 3.941 0 40 CHAB CC[C@H](C(=O)O)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223198553 HFEZZAMITOHSKB-WCQYABFASA-N 291.391 3.651 0 40 CHAB Cc1ccc(-c2nnc(NC(=O)C3CCCC3)s2)cc1 223453282 IHGOBNRQGVAFNE-UHFFFAOYSA-N 287.388 3.642 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COC 224683132 RIROBWSWAWAQHR-UHFFFAOYSA-N 299.370 3.792 0 40 CHAB CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)OC)cc1C 225599989 MBKRKOLDFAFUES-GFCCVEGCSA-N 279.380 3.536 0 40 CHAB C[C@@H]1CCCCN1C(=O)[C@@H](C)n1cc(-c2ccccc2)cn1 227165699 RFPUTBXUTQVZHD-HUUCEWRRSA-N 297.402 3.512 0 40 CHAB CN(c1ccccn1)C1CCN(CC2CCCCC2)CC1 1889096831 IJBCQTRCAPGOCO-UHFFFAOYSA-N 287.451 3.563 0 40 CHAB COc1ccccc1-c1nnc(-c2ccccc2C)o1 39023 GTYQDVVUCYACTN-UHFFFAOYSA-N 266.300 3.721 0 40 CHAB c1ccc(SCc2ccc(-c3csnn3)cc2)nc1 107278 NDSFVHADAQXZJM-UHFFFAOYSA-N 285.397 3.892 0 40 CHAB CCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 2634499 QGUFIKGEGHHXAZ-UHFFFAOYSA-N 273.763 3.832 0 40 CHAB aggregator CN(C)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 2663086 JAXSTDPBMDZYEX-GOSISDBHSA-N 294.398 3.560 0 40 CHAB CC(C)COC(=O)C[C@H](c1ccccc1)N1CCCCC1 1569418 HYIJHOKIEBOURB-QGZVFWFLSA-N 289.419 3.803 0 40 CHAB COc1ccc2c(C)c(Br)sc2c1 1700960 KXPDHNSVUQCNQT-UHFFFAOYSA-N 257.152 3.981 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)s2)cc1 2766935 GQABRGYYKAWRIO-GFCCVEGCSA-N 259.374 3.856 0 40 CHAB Cc1occc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4539295 WAMNFHDTSSZYSM-IHWZXDPASA-N 287.403 3.923 0 40 CHAB CN(Cc1ccccc1)C(=O)Cc1ccccc1Cl 50123586 CTAITALSTBFZAN-UHFFFAOYSA-N 273.763 3.541 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1 8273913 KPZXOACDDLRIRL-CYBMUJFWSA-N 271.335 3.636 0 40 CHAB Cc1ccc(OCC(=O)NC2(C)CCC(C)CC2)cc1C 58167283 FSTGNMKHAZTOOL-UHFFFAOYSA-N 289.419 3.767 0 40 CHAB Cc1nc2cc(NC(=O)c3ccc(C)c(F)c3)ccc2o1 24926125 FMUMQUVSAKCSET-UHFFFAOYSA-N 284.290 3.836 0 40 CHAB O=S(=O)(C1=C[C@@H]2C[C@H]1C1=C2[C@@H]2CC[C@@H]1C2)c1ccccc1 104292894 GAWUOEBTRWCIMM-GUIRCDHDSA-N 298.407 3.720 0 40 CHAB CCn1cc(NC(=O)c2cc3c(F)cccc3s2)cn1 58327164 CRJRMMZCLQMNMO-UHFFFAOYSA-N 289.335 3.509 0 40 CHAB CCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1 22000904 BPDDFRMYIQRZHQ-UHFFFAOYSA-N 292.338 3.920 0 40 CHAB Cc1csc(S[C@H](C)c2nc(-c3ccco3)no2)n1 29739075 RPVPTZAYRLXWHB-MRVPVSSYSA-N 293.373 3.948 0 40 CHAB Cc1nc(NC(C)C)c2c3c(sc2n1)CCCC3 3443114 BUTAQTMOCRZRDZ-UHFFFAOYSA-N 261.394 3.699 0 40 CHAB Fc1ccc(COCC(F)(F)F)c(Br)c1 49600892 JVXJPKSXYIPTLD-UHFFFAOYSA-N 287.050 3.667 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2cc(C)c(C)s2)c1 24004041 LIYPMBKTCWWUFD-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB Cc1ccc(F)cc1NS(=O)(=O)c1ccccc1Cl 5126826 NAXPXMVACXADFF-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB C[C@@H](c1cccnc1)N(C(=O)Nc1cccc(F)c1)C1CC1 69813322 VPFNAVHCOHXBIA-LBPRGKRZSA-N 299.349 3.978 0 40 CHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1c(Cl)cccc1Cl 4474727 OTDGJRIHNWDMMQ-YGOYTEALSA-N 284.186 3.912 0 40 CHAB C[C@H](NC(=O)Nc1ccc(F)cc1)c1cccs1 14016154 TZNVUZBSXGFUEI-VIFPVBQESA-N 264.325 3.770 0 40 CHAB COc1ccc(OCCC(=O)c2ccc(C)cc2)cc1 5540292 BVRJGPMLLIFVPN-UHFFFAOYSA-N 270.328 3.655 0 40 CHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1 21596429 YQMXQWYUFDHHGG-UHFFFAOYSA-N 298.411 3.684 0 40 CHAB Cc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 7370199 BFEORRUJMUSJII-GOSISDBHSA-N 294.398 3.735 0 40 CHAB CC(C)[C@H](C)CC(=O)N[C@H](C)Cc1ccc(F)cc1 67816332 QECGDRKVKPHXAD-CHWSQXEVSA-N 265.372 3.555 0 40 CHAB C[C@@H](CNC1CCCC1)Oc1ccc(Cl)cc1 19738126 MELXTMKTWCJGQC-NSHDSACASA-N 253.773 3.640 0 40 CHAB C[C@@H](c1cccc(Cl)c1)N1CCN2CCCC[C@@H]2C1 93952499 OXRRHZUMZJTZFD-XJKSGUPXSA-N 278.827 3.571 0 40 CHAB Cc1nc(N[C@@H]2CCCc3ccccc32)sc1C(=O)O 20156594 WOOKATWQCMKZFQ-GFCCVEGCSA-N 288.372 3.639 0 40 CHAB Cc1cc(C)nc(NC(=O)N(C)[C@@H](C)c2ccco2)c1 97378662 WZHUUPZOODFZPA-LBPRGKRZSA-N 273.336 3.516 0 40 CHAB Cc1cc(C)nc(NC(=O)N(C)[C@H](C)c2ccco2)c1 97378663 WZHUUPZOODFZPA-GFCCVEGCSA-N 273.336 3.516 0 40 CHAB CCOCc1ccc(NC(=O)c2cccnc2Cl)cc1 75358119 FVOOEQVWUJLALV-UHFFFAOYSA-N 290.750 3.524 0 40 CHAB CCC(=O)N1N=C(c2ccccc2C)C[C@@H]1c1ccco1 89941552 KSKQGJMUMKGDHY-OAHLLOKOSA-N 282.343 3.676 0 40 CHAB S=c1oc(-c2ccccc2Cl)nn1CN1CCCC1 4523495 YMFUCCQWAZIRBL-UHFFFAOYSA-N 295.795 3.579 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)c2ccccc21 38671289 NLUFSLBNOOBGTJ-AWEZNQCLSA-N 299.757 3.957 0 40 CHAB CCNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213071 AUSBLZLIGQUQKD-ZDUSSCGKSA-N 291.395 3.585 0 40 CHAB Fc1cc(F)cc(-c2cncc(Br)c2)c1 72192744 NSDMLSLYMNOVRP-UHFFFAOYSA-N 270.076 3.789 0 40 CHAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc[nH]c1=S 72217068 ALMGONBCCLRIAF-CQSZACIVSA-N 284.384 3.721 0 40 CHAB Cc1ccccc1COc1cc(O)c(C(=O)O)cc1Cl 216933726 OCRKWQOUYHHESK-UHFFFAOYSA-N 292.718 3.631 0 40 CHAB CC(C)CN1CCCC[C@H]1c1ccc(Cl)nc1 72211466 NXMZQKFCVOUEDO-ZDUSSCGKSA-N 252.789 3.918 0 40 CHAB Cc1ccccc1-c1ccnc(C2CCNCC2)c1 72386624 FQMCMDBHIUZIII-UHFFFAOYSA-N 252.361 3.524 0 40 CHAB CC(C)c1ccc(-c2noc(C(F)(F)F)n2)c(Cl)n1 43828110 JEJGNLCNTXIHMH-UHFFFAOYSA-N 291.660 3.927 0 40 CHAB CCC[C@H](C)NC(=S)Nc1cccc(OCC)c1 225382764 JTTHRSGICGYUIW-NSHDSACASA-N 266.410 3.560 0 40 CHAB Cc1ccc(OC[C@H](C)NC(=O)c2cc(C)ccc2C)cc1 224350866 BWICBCFSENMQHX-INIZCTEOSA-N 297.398 3.809 0 40 CHAB CC(C)(C)OC(=O)NCCCOc1cccc(Cl)c1 514253345 DMSWVQLESDPNCC-UHFFFAOYSA-N 285.771 3.634 0 40 CHAB CC1=NN(c2ccc(C(=O)Oc3ccccc3F)cc2)CC1 45762691 VPLGOOAKUAOAHI-UHFFFAOYSA-N 298.317 3.631 0 40 CHAB CC[C@H](C)CC(=O)N1CCC(OCc2ccccc2)CC1 191479165 TWYLDTOQQAXHJT-HNNXBMFYSA-N 289.419 3.630 0 40 CHAB CCC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1cscn1 81179281 LZCMNAXMKRTWKM-GXTWGEPZSA-N 280.437 3.503 0 40 CHAB CCc1ccc([C@@H](C)NCc2cc(C(C)C)no2)o1 97228379 YGKIHSFTLUJUBW-LLVKDONJSA-N 262.353 3.804 0 40 CHAB CC(=O)Cc1cc(C)c2ccc(Cl)c(Cl)c2n1 95096709 JZXCKDYJAPDMOT-UHFFFAOYSA-N 268.143 3.982 0 40 CHAB CC(F)(F)OCCC(F)(F)C(F)(F)Br 98210578 SMNREWUQSJVYOY-UHFFFAOYSA-N 289.013 3.629 0 40 CHAB C[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(F)c2)o1 97377474 DUBTYBVPTYPING-FZMZJTMJSA-N 289.354 3.544 0 40 CHAB COC(=O)c1cc2cc3c(cc2nc1Cl)CCCC3 242718278 XHTSECPTUXCPOQ-UHFFFAOYSA-N 275.735 3.554 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccccc1Cl 248118105 TZOGOBWTTOQLHL-UHIISALHSA-N 265.784 3.895 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3ccccc3o2)C1 24766833 XDDJSBRVFZFVOC-VXGBXAGGSA-N 257.333 3.551 0 40 CHAB CCSc1cc(C(=O)N(CC)c2ccccc2)ccn1 52978929 NBDMIEYADOUAKH-UHFFFAOYSA-N 286.400 3.860 0 40 CHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1 12469627 MCEUEMILDHFTQG-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB CC[C@@H](NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 13329004 XVTXPVLWXJMXEG-GFCCVEGCSA-N 268.788 3.889 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2ccccc2)c1 13710163 WFYOLIFNZHSUOC-MRXNPFEDSA-N 297.398 3.729 0 40 CHAB CCn1c(SCc2ccc(F)cc2)nnc1C(C)C 13995398 ZIRLVWBBORNQQA-UHFFFAOYSA-N 279.384 3.853 0 40 CHAB O=C(Nc1ccccc1O)c1cc2c(s1)CCCCC2 16483052 GXJBQRSLOXGQKU-UHFFFAOYSA-N 287.384 3.975 0 40 CHAB C1=C(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)COCC1 19373868 JKBWPCKVBNIZSK-FYQPLNBISA-N 297.442 3.895 0 40 CHAB C[C@H]1Sc2sc(=S)sc2SC1=O 5515728 JGOGUVHDUXCJBA-UWTATZPHSA-N 252.432 3.652 0 40 CHAB COc1cc2c(cc1[C@H](C)c1ccccc1)OCO2 6443393 KWFLPGKFDUABEW-LLVKDONJSA-N 256.301 3.576 0 40 CHAB O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1ccccc1 5328242 RLOWORWEDZZSDF-BBZKIXJBSA-N 275.307 3.696 0 40 CHAB COc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 11637063 SKZZTNHISKMQJU-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB O=C1CCC[C@H](c2ccc([C@@H]3CCCC(=O)C3)o2)C1 13410415 DEMUJGLWNMRSDG-TXEJJXNPSA-N 260.333 3.733 0 40 CHAB Cc1ccc(NC(=O)c2cccc(C)c2O)c(C)c1 19836819 APPXKOXSHCQIDH-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB Cc1ccc(OCC(=O)Nc2ccccc2C)cc1C 75614 CUGZLQIXOSAZRI-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB CC[C@@]1(C)Oc2ccc(NC(=O)c3cccs3)cc2O1 8783343 QBYYLVATXZOJGV-HNNXBMFYSA-N 289.356 3.898 0 40 CHAB CC[C@@H](NC[C@@H](O)c1ccccc1F)c1ccccc1 51627811 GDODAEBSPVPAIU-IAGOWNOFSA-N 273.351 3.600 0 40 CHAB Cc1cccc(OCC(=O)Nc2cccc3cccnc23)c1 363442 UZVDAAYJHALSPJ-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB Cc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1Cl 32815680 FWUIEQGXAUGDJW-LBPRGKRZSA-N 267.756 3.546 0 40 CHAB CNc1ccc(Cl)cc1[C@H]1NCCc2ccccc21 56535 XRUIERQCHYNNEP-INIZCTEOSA-N 272.779 3.617 0 40 CHAB biogenic O=C1O[C@H](Nc2cccc(Cl)c2)c2ccccc21 91669 MEBHCKMOSYYRNR-ZDUSSCGKSA-N 259.692 3.621 0 40 CHAB O=C(/C=C/c1ccco1)Nc1cccc(C(F)(F)F)c1 1404394 ZOEVSMHNTNZMSQ-VOTSOKGWSA-N 281.233 3.950 0 40 CHAB CCOC(=O)[C@@](C)(O)C1(Cl)CCC(C(C)(C)C)CC1 1734204 FECSNLKPGNKDFF-XGTXGMFGSA-N 290.831 3.514 0 40 CHAB CCCCN(CCCC)C(=O)Nc1nc2ccccc2[nH]1 3019768 LHDJWLPUKNUYPC-UHFFFAOYSA-N 288.395 3.997 0 40 CHAB CC(C)C(=O)Nc1ccccc1Cc1ccccc1 3420875 LNVCWQHYTKGEBS-UHFFFAOYSA-N 253.345 3.872 0 40 CHAB Cc1cc(F)ccc1NC(=O)CCC(=O)c1cccs1 3559001 ZPEQNBSTSVXFKH-UHFFFAOYSA-N 291.347 3.797 0 40 CHAB Cc1ccc([C@H](Nc2ccccc2C)C(=O)O)cc1 4244968 AFWBWVUGSWDUEX-HNNXBMFYSA-N 255.317 3.541 0 40 CHAB CN(C)CCCOc1ccccc1Cc1ccccc1 5535361 YETGNVCEJGMXIN-UHFFFAOYSA-N 269.388 3.608 0 40 CHAB Cc1cccc(/C=C2\Sc3ccccc3C2=O)n1 6422420 KAHPVSRTRCXUNU-ZROIWOOFSA-N 253.326 3.720 0 40 CHAB O=C(Nc1ccccc1CO)Nc1cccc2ccccc12 6864968 HVGBGEIKVZNDSP-UHFFFAOYSA-N 292.338 3.976 0 40 CHAB c1cc2c(cc1-c1csc(N3CCCC3)n1)CCC2 7643686 QUPAXMOZOASMEI-UHFFFAOYSA-N 270.401 3.899 0 40 CHAB CCOc1ccccc1C(=O)Nc1ccc(F)cc1C 7751031 KJLAKNXSVREXFO-UHFFFAOYSA-N 273.307 3.785 0 40 CHAB Fc1cccc(CSc2nc(-c3ccccc3)n[nH]2)c1 8748331 BHTFYWYYMBPSQQ-UHFFFAOYSA-N 285.347 3.903 0 40 CHAB Clc1cccc(CSC2=N[C@H]3CCCC[C@@H]3N2)c1 9722556 PVHYGQMFJZLFIW-STQMWFEESA-N 280.824 3.844 0 40 CHAB Cc1cccc(C(=O)Nc2ccc3ncsc3c2)c1 10217134 OJZOOIGLPXLDJT-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB Cc1cc2c(nc1C)sc1c(NC(C)C)ncnc12 12321601 ZVBWSULVMBOZLV-UHFFFAOYSA-N 272.377 3.677 0 40 CHAB CSc1cccc(NC(=O)Nc2ncccc2C)c1 13737229 XXYWMIDVHKORSE-UHFFFAOYSA-N 273.361 3.756 0 40 CHAB CC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14401558 DVOXUELZQISOBJ-NEPJUHHUSA-N 283.799 3.639 0 40 CHAB Cc1noc(C)c1C(=O)N[C@H](C)c1cccc2ccccc12 14601988 FCBHIWMPLJOWFZ-LLVKDONJSA-N 294.354 3.936 0 40 CHAB CCOC(=O)/C=C(/Nc1ccccc1)c1ccccc1 16929221 NYXATQKDISMJBK-DTQAZKPQSA-N 267.328 3.703 0 40 CHAB Cc1ccc(-n2[nH]c(C)c(CCc3ccccc3)c2=O)cc1 17879216 LOYPRWOUXJJOCP-UHFFFAOYSA-N 292.382 3.568 0 40 CHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 20489235 OCRGLBWDHBSMPJ-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB CC(C)NC(=S)N[C@@H](c1ccc(Cl)cc1)C1CC1 20623612 LAFXYPDBJFKARK-CYBMUJFWSA-N 282.840 3.664 0 40 CHAB CCN(CC)CCNc1nc2ccc(Cl)cc2s1 26423987 YZXVQIDQLMNKPA-UHFFFAOYSA-N 283.828 3.703 0 40 CHAB CCC(=O)Nc1ccc([C@H](C)NCc2ccsc2)cc1 30641038 WZIGLMVFPDPIPH-LBPRGKRZSA-N 288.416 3.947 0 40 CHAB COc1cccc([C@H]2CCCN2C(=O)C2CCCC2)c1 32889860 ZXBJAIYWHAZUKF-MRXNPFEDSA-N 273.376 3.549 0 40 CHAB O=C(CCc1ccco1)N[C@@H]1CCSc2ccccc21 40462373 PYQSRLSMZYNFSR-CQSZACIVSA-N 287.384 3.566 0 40 CHAB CCC(=O)Nc1cc(N2CCC(C)CC2)c(N)cc1Cl 45891754 HBRGIASLNUGSHT-UHFFFAOYSA-N 295.814 3.507 0 40 CHAB FC(F)Oc1ccc(Br)cc1Cl 47203167 DWKPACZUZNQYSQ-UHFFFAOYSA-N 257.461 3.704 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)NCc1ccoc1 47707622 MOESLHGVZDKCAO-UHFFFAOYSA-N 264.712 3.563 0 40 CHAB Cc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)s1 48073995 GEOCYWJVPRBOJD-UHFFFAOYSA-N 298.411 3.787 0 40 CHAB Cc1nnc(CN(Cc2ccc(C(C)C)cc2)C2CC2)o1 53132223 IXJRKPSIMMNIDZ-UHFFFAOYSA-N 285.391 3.666 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1cc2ccccc2o1 53475480 JITQAUZYQDEOLB-OAHLLOKOSA-N 277.323 3.850 0 40 CHAB CC[C@@H](C)n1c(C(C)=O)nc2cc(Cl)ccc21 53944106 MNUFQGZFHPEODI-MRVPVSSYSA-N 250.729 3.863 0 40 CHAB O=Cc1cccc(Oc2cccc(C(F)(F)F)n2)c1 67801429 HMNPACURQJJDTM-UHFFFAOYSA-N 267.206 3.705 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1ccc2ncccc2c1 71121531 DPBVXDPSGWUDBV-UHFFFAOYSA-N 296.757 3.818 0 40 CHAB CCCCN1CCC[C@H]1c1cccnc1SC 72216947 YQWDNOXRJQFJGA-ZDUSSCGKSA-N 250.411 3.741 0 40 CHAB CSc1nc(Cl)cc(NCCc2ccccc2)n1 91302232 WPXCUERKOLZJQE-UHFFFAOYSA-N 279.796 3.507 0 40 CHAB COc1ccc(F)cc1-c1cc(F)ccc1OC 94992636 BAAKBHVPGCIDQH-UHFFFAOYSA-N 250.244 3.649 0 40 CHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1ccc(Cl)c(F)c1 95634041 ONEKAMQWORJZKD-UWVGGRQHSA-N 284.714 3.553 0 40 CHAB CSC[C@@H](C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 96412483 WIYONDNAMRWMDE-LLVKDONJSA-N 291.420 3.555 0 40 CHAB O=C(NCc1ccnc(-c2ccco2)c1)Nc1ccccc1 225657617 GLBYVNSGBLTNCB-UHFFFAOYSA-N 293.326 3.663 0 40 CHAB O=C(NC1CCCC1)c1ccc2sc(Cl)nc2c1 225974432 OLYWJGQDCHUZMZ-UHFFFAOYSA-N 280.780 3.622 0 40 CHAB Cc1ccc(-n2ncc3c(Cl)nc(Cl)nc32)cc1C 228947470 NTACJSVYHZVUGR-UHFFFAOYSA-N 293.157 3.739 0 40 CHAB CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 252581649 HCACSSNDKLCPTC-REWJHTLYSA-N 293.432 3.516 0 40 CHAB COC(=O)c1ccc(C(=O)CCC2CCCC2)cc1 575362473 OZPHFWSFHYLHCY-UHFFFAOYSA-N 260.333 3.626 0 40 CHAB Cc1ccc2cc(C(=O)O)ccc2c1Br 1857794948 YXGJPRXNIBTGGB-UHFFFAOYSA-N 265.106 3.609 0 40 CHAB Cc1cnc2sc(=S)n(-c3ccccn3)c2c1 481417 IHWFCFJFQKBNNU-UHFFFAOYSA-N 259.359 3.520 0 40 CHAB CCc1ccc(-c2nc(Cc3ccccc3)no2)cc1 1005060 DZTIVHWEBJYARX-UHFFFAOYSA-N 264.328 3.890 0 40 CHAB CC(C)(C)c1ccn(CC(=O)c2ccc(Cl)cc2)n1 1384645 ZMFWGNAZXUVDGN-UHFFFAOYSA-N 276.767 3.717 0 40 CHAB Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(N)n2n1 1396010 SRAUURBNQRKBFI-UHFFFAOYSA-N 293.157 3.594 0 40 CHAB COc1ccc(-c2nc3ccccc3s2)c(O)c1 2584537 KQUJPMLQKNTPCL-UHFFFAOYSA-N 257.314 3.678 0 40 CHAB O=C(Nc1nccc(-c2ccco2)n1)c1ccc(Cl)cc1 2798191 JJQDKGACUCNBOH-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB COc1ccccc1CC(=O)Nc1ccccc1Cl 3325133 AXRNTYRRRNXDHF-UHFFFAOYSA-N 275.735 3.530 0 40 CHAB COc1cccc(NC(=O)c2c(F)cccc2Cl)c1 3481702 XYGGUXCWLFYQEX-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB CC1(C)[C@@H]2CC=C(COC(=O)c3ccccc3)[C@H]1C2 3846244 YUXLMPQJQGGWGZ-HUUCEWRRSA-N 256.345 3.836 0 40 CHAB CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CCCCC=C[C@@H]32)c1 4664586 JGHLKYZOSXUQGC-ULQDDVLXSA-N 283.371 3.820 0 40 CHAB CNc1ccccc1C(=O)Nc1ccc(Cl)cc1 5334894 KXYWFJPSPQYGPI-UHFFFAOYSA-N 260.724 3.634 0 40 CHAB CCCCc1ccc(NC(=O)Nc2ccon2)cc1 6741937 CQDHCYZLBMMUPC-UHFFFAOYSA-N 259.309 3.661 0 40 CHAB Cc1cc(OC(=O)Nc2cccc(Cl)c2)ccc1O 6922149 IFOSSEXTAMFEJG-UHFFFAOYSA-N 277.707 3.965 0 40 CHAB CCc1cccc(NC(=O)CCc2cc(C(C)=O)c(C)o2)c1 8114183 QWBVOFAOCLXWPF-UHFFFAOYSA-N 299.370 3.924 0 40 CHAB O=C(CCc1ccccc1O)N[C@@H]1CCCc2ccccc21 8311906 QDMWMGAOBCCZFQ-QGZVFWFLSA-N 295.382 3.519 0 40 CHAB CC(C)CNCc1ccc(C(=O)Nc2ccccc2)cc1 9417782 GXWUQBBIPGJHIT-UHFFFAOYSA-N 282.387 3.685 0 40 CHAB O=C(Nc1nccs1)[C@H]1C[C@H]1c1ccccc1Cl 9953190 UYIIIKBKGKWAPX-UWVGGRQHSA-N 278.764 3.539 0 40 CHAB CC(C)NC(=S)CC12CC3CC(CC(C3)C1)C2 11114621 YQAUUDLRFRCLGN-UHFFFAOYSA-N 251.439 3.918 0 40 CHAB COc1ccc(CC(=O)Nc2c(C)cccc2C)cc1F 12891813 DRGFZLNLZALKPA-UHFFFAOYSA-N 287.334 3.632 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2cccnc2)c(Cl)c1 13331924 NLZSCNPGSIZQGJ-NSHDSACASA-N 289.766 3.926 0 40 CHAB CC[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 13745652 DGVMMHFVJFILKI-FRRDWIJNSA-N 254.418 3.689 0 40 CHAB COc1ccc([C@@H](C)NC(=S)NC2CCCCC2)cc1 13932710 QFJMLBQYQVQMOD-GFCCVEGCSA-N 292.448 3.553 0 40 CHAB O=C(c1ccsc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 15589914 JANDSSXPIRGSOB-CQSZACIVSA-N 297.383 3.602 0 40 CHAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(C)n2)cc1 17023481 AVSPWDPWKPUMQE-UHFFFAOYSA-N 294.354 3.771 0 40 CHAB CC1=C(C)C[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]2C1 17836141 XJKWMKHHNXXTKP-GJZGRUSLSA-N 283.371 3.539 0 40 CHAB CC(=O)c1ccccc1NC(=O)CCCc1cccs1 19806271 FIWOZVFFCHFHJL-UHFFFAOYSA-N 287.384 3.912 0 40 CHAB CC(C)c1ccccc1NC(=O)Cc1cn2ccccc2n1 29864667 OBCNWRIFNCEFHH-UHFFFAOYSA-N 293.370 3.639 0 40 CHAB Cc1cccc(NC(=S)NCCC2=CCCCC2)n1 33493279 XWIAHFOUVZGMPI-UHFFFAOYSA-N 275.421 3.567 0 40 CHAB CC(C)(C)c1ccc(NC(=O)c2cccc3c2OCO3)cc1 40150745 AWOXXDADTFTKES-UHFFFAOYSA-N 297.354 3.965 0 40 CHAB Cc1cc(Cl)nc2c(Br)cccc12 40175116 SEFBBWPHTXZFJK-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB CCc1ccc2oc(-c3cccc(-n4cnnc4)c3)nc2c1 40542239 QXCWEWFKDYBCHD-UHFFFAOYSA-N 290.326 3.638 0 40 CHAB Cc1nc(C)c(CC(=O)Nc2cccc(Cl)c2)s1 41179742 CKDKSUYAPRPCSO-UHFFFAOYSA-N 280.780 3.595 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(F)c1 44843154 DPPHUZANXFKOQK-MRXNPFEDSA-N 287.334 3.930 0 40 CHAB O=C(c1ccccc1)N1CCC(c2ccc(Cl)cc2)=N1 44973437 MZYAJZXOVRUNJB-UHFFFAOYSA-N 284.746 3.590 0 40 CHAB Cc1cccc(C(=O)c2cc(Cl)cc(Cl)c2)n1 45028511 ZGWUFOFKLMIKAF-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1cc(N)cc(C)c1NC(=O)Cc1ccc(Cl)cc1 45888367 AUCBPPBXALCMSA-UHFFFAOYSA-N 288.778 3.720 0 40 CHAB FC(F)Oc1cc(Cl)ccc1Br 47203165 HJBFVAQNOQRMEJ-UHFFFAOYSA-N 257.461 3.704 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1ccc(Oc2ncccn2)cc1 48202269 WTFDVULIEXZSNV-ZDUSSCGKSA-N 295.342 3.564 0 40 CHAB CC[C@@H](C)[C@@H](C)NC(=O)c1cc(F)c(F)cc1Cl 48331650 VCXUSMYUAMIPIS-HTQZYQBOSA-N 275.726 3.783 0 40 CHAB CCc1ccc(CN(CC(=O)OC(C)(C)C)C2CC2)cc1 59385132 PXNVRLJPYRXISL-UHFFFAOYSA-N 289.419 3.555 0 40 CHAB Cc1nnc(SCc2ccccc2)n1-c1ccccc1 59475337 OZDUMSTVJBPESV-UHFFFAOYSA-N 281.384 3.868 0 40 CHAB O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ccsc1 60536132 WHSBQYHDXGKSSA-ZDUSSCGKSA-N 288.372 3.591 0 40 CHAB Cc1ccc2c(c1)CCCN2Cc1nnc(C2CCC2)o1 69812350 RVNYOMKVWLPCFQ-UHFFFAOYSA-N 283.375 3.598 0 40 CHAB Cc1nc(C(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 70209044 RQLQUCXIJNHBDY-UHFFFAOYSA-N 295.294 3.739 0 40 CHAB Brc1ccc2c(c1)[C@@H]1CCCC[C@@H]1N2 71484269 FWGKDJGZEJDJEF-ONGXEEELSA-N 252.155 3.901 0 40 CHAB Cc1cccc(-n2ccnc2SCc2ccno2)c1C 71886874 BVGJTZICHFSYFY-UHFFFAOYSA-N 285.372 3.769 0 40 CHAB CCCN1CCC[C@H]1c1ccc(N2CCCCC2)nc1 72216044 QNOUUIAADGOAQS-INIZCTEOSA-N 273.424 3.619 0 40 CHAB Cc1cc([C@@H](N)c2ccccc2)cnc1NC(C)(C)C 72222937 LTWPMTCFBIOUAR-HNNXBMFYSA-N 269.392 3.649 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)C(C)C)cc1 78362279 AAHXIVSBFMIWGN-STQMWFEESA-N 265.422 3.636 0 40 CHAB COc1cccc(N2CC(C)(C)CC(C)(C)C2)c1C(=O)O 95486391 LGYSZAVAEGFRSZ-UHFFFAOYSA-N 291.391 3.656 0 40 CHAB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccccc3O)[C@H]1[C@@H]2C 100244577 YHPKSMCKTAILCI-FFWJMXMESA-N 258.361 3.928 0 40 CHAB ClC(Cl)(Cl)C12CC(Br)(C1)C2 219779853 XQJLDQVQZOAMTH-UHFFFAOYSA-N 264.377 3.674 0 40 CHAB Cc1cccc(OCCNC(=O)Nc2ccccc2)c1C 223898071 AFRIZEDNIOHLTO-UHFFFAOYSA-N 284.359 3.504 0 40 CHAB CC[C@H](C)n1ncc(Br)c1CO[C@H](C)CC 408715903 GOKLZAPBZSXMNR-VHSXEESVSA-N 289.217 3.932 0 40 CHAB O=Cc1c(Cl)cc(Cl)cc1Br 504603291 FPAPSKIUGCNLQT-UHFFFAOYSA-N 253.910 3.568 0 40 CHAB in-vitro COc1ccc(C(F)(F)F)cc1C(=O)C(F)(F)Cl 575242769 HHZWWZKDJOASER-UHFFFAOYSA-N 288.599 3.728 0 40 CHAB COc1ccc(C(F)(F)F)cc1C(=O)CC(C)C 575243093 YFDKFNWDOFTITM-UHFFFAOYSA-N 260.255 3.943 0 40 CHAB Fc1cc(Cl)c2nc(Cl)nc(Cl)c2c1 575432242 VCXPSTHBMYWYNJ-UHFFFAOYSA-N 251.475 3.729 0 40 CHAB c1nc(N2CC[C@H](c3ccsc3)C2)c2sccc2n1 1775972630 OGNFSYMDSKBGLY-JTQLQIEISA-N 287.413 3.747 0 40 CHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCCC1 281550 DXVULXUMOULTCU-LLVKDONJSA-N 283.824 3.833 0 40 CHAB CC(=O)c1ccc(OC(=O)Nc2ccccc2F)cc1 1752764 NOVAXQAPCJKURG-UHFFFAOYSA-N 273.263 3.639 0 40 CHAB Cc1cc(C)cc(C(=O)CC2(CC(=O)O)CCCC2)c1 2580206 TYLJSBQEFMMLOS-UHFFFAOYSA-N 274.360 3.911 0 40 CHAB Fc1ccc(CSc2nc(Cc3ccccc3)n[nH]2)cc1 6475439 RPMYOZOFJNTLKT-UHFFFAOYSA-N 299.374 3.827 0 40 CHAB Cc1cc(CNC(=O)Nc2ccccc2C(C)(C)C)on1 69771069 HKVCTDPGEQDNLV-UHFFFAOYSA-N 287.363 3.602 0 40 CHAB Cc1cc2nc(C)c(C/C=C/c3ccccc3)c(C)n2n1 1393573 VJBWCILRLRCNNW-JXMROGBWSA-N 277.371 3.910 0 40 CHAB CCc1ccccc1NC(=O)N[C@@H](C)c1ccncc1 43403071 SFCGEAYZZRQXIE-LBPRGKRZSA-N 269.348 3.527 0 40 CHAB C[C@@H](Cc1ccco1)NCc1cc2ccccc2o1 35254709 VFWJSVVAJLCPIL-LBPRGKRZSA-N 255.317 3.747 0 40 CHAB CCc1oc2ccccc2c1CNCCc1cscn1 108942258 MUEAWDDTYNYETQ-UHFFFAOYSA-N 286.400 3.784 0 40 CHAB CSCCC(=O)c1ccc(Br)cc1F 69984290 RKGGVUYDROKRLD-UHFFFAOYSA-N 277.158 3.524 0 40 CHAB Cc1cc(C(=O)c2c(F)cccc2F)ccc1F 70210347 TYOLYPDCENOBLT-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC(C(C)C)C(C)C 20456527 VDOGHKDLIKENRT-OAHLLOKOSA-N 295.398 3.780 0 40 CHAB COc1ccccc1NC(=S)N(C)Cc1ccccc1 3208836 VYYAPRZNKZQBRE-UHFFFAOYSA-N 286.400 3.524 0 40 CHAB Cc1ccc(C[S@@](=O)Cc2ccccc2F)cc1 58307787 ASSYOVLOCQGSCR-SFHVURJKSA-N 262.349 3.583 0 40 CHAB CCOc1ccccc1C(=O)c1cccc(Cl)c1 55240088 ZOWSGTQZEQOLPJ-UHFFFAOYSA-N 260.720 3.970 0 40 CHAB C[C@@H](NC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1 45926374 OZZZCWHEGJULHH-SECBINFHSA-N 273.298 3.929 0 40 CHAB CCC[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12936123 OPJFBAMOGOSARR-GFCCVEGCSA-N 284.403 3.965 0 40 CHAB O=C(O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4017431 GNPLDQXYYACRDQ-UHFFFAOYSA-N 256.345 3.853 0 40 CHAB O[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 49933660 HIJNQMKSFNQSBG-JTQLQIEISA-N 281.808 3.511 0 40 CHAB COc1cccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc12 5304779 BRQNMBXHAQRIOV-GFCCVEGCSA-N 294.354 3.668 0 40 CHAB Cc1ccc(-n2c(S)nnc2-c2ccccc2C)cc1 6704377 FQGBBODJJYQJLO-UHFFFAOYSA-N 281.384 3.840 0 40 CHAB CCC(=O)Nc1cccc(NC(=S)Nc2ccccc2)c1 9230771 WONWKIOTYVIPEW-UHFFFAOYSA-N 299.399 3.844 0 40 CHAB Cc1c(C(=O)NCCOc2ccccc2)oc2ccccc12 15318219 XMOOYGBXKYCHGR-UHFFFAOYSA-N 295.338 3.550 0 40 CHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccco1 15497013 IXNNTRXTHCFUMW-VIFPVBQESA-N 264.712 3.816 0 40 CHAB CC(=O)Nc1ccc(SCC[C@@H]2CCCCN2C)cc1 8185619 DKQBKQBHSTYJTP-HNNXBMFYSA-N 292.448 3.612 0 40 CHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cccs1 69348131 OXOFERUULNBVCK-QMMMGPOBSA-N 277.311 3.551 0 40 CHAB Cc1noc(C)c1CCN[C@@H](C)c1ccc(F)cc1Cl 95422130 MOZIYHYEXFXAGV-VIFPVBQESA-N 296.773 3.977 0 40 CHAB CCCCNCc1ccc(O[C@H](C)CC)c(OC)c1 66182006 MTINXWRTYZPBNG-CYBMUJFWSA-N 265.397 3.762 0 40 CHAB O=C(CCC1CCCC1)Nc1ccc(-c2cc[nH]n2)cc1 38716846 DNGSRHVGXHANDQ-UHFFFAOYSA-N 283.375 3.986 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2N 524732077 WDTAJXMIXADUTH-BAMGFKBFSA-N 291.479 3.717 0 40 CHAB biogenic Sc1nnc(C[C@@H](Cc2ccccc2)c2ccco2)o1 524734429 DRKYHPUEROSQJR-GFCCVEGCSA-N 286.356 3.520 0 40 CHAB Cc1cc(C)c(NC(=O)COc2cccc(C)c2C)c(N)c1 70462896 VLJHDGIEUYZKPT-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB CCC(=O)c1cnc(OCc2ccccc2)cc1C 72223420 TWUUEZHDIUCHEL-UHFFFAOYSA-N 255.317 3.562 0 40 CHAB COC(=O)c1cc2sccc2c(-c2ccc(F)cc2)n1 72209390 MDWIHDNPZGTPPP-UHFFFAOYSA-N 287.315 3.889 0 40 CHAB Cc1ccc(C(=O)CC2(CC(=O)O)CCCC2)cc1C 40224393 IQXQTVXGSQFTDB-UHFFFAOYSA-N 274.360 3.911 0 40 CHAB Cc1ccc(CC(=O)NC(C(C)C)C(C)C)c(C)c1 223870510 NGGLLKORFQPAIO-UHFFFAOYSA-N 261.409 3.643 0 40 CHAB CC(C)Cc1ccc(CCC(=O)OCc2ccccn2)cc1 238790955 XGLVHXHGDKRQQY-UHFFFAOYSA-N 297.398 3.956 0 40 CHAB O=C(O)c1cc(C(F)(F)F)c2cccc(Cl)c2n1 95101172 AASBAWMPTFWLGY-UHFFFAOYSA-N 275.613 3.605 0 40 CHAB C[C@@H](c1ccncc1)N(C)Cc1cnc2ccsc2c1 97375307 HFLYHUWEAIXAQD-LBPRGKRZSA-N 283.400 3.884 0 40 CHAB CCC(=O)Oc1ccc(Cc2ccc(OC(C)=O)cc2)cc1 95068057 JARUUDOWTQBKKU-UHFFFAOYSA-N 298.338 3.518 0 40 CHAB CCOC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1 96345665 TYJIGVRVELJUJM-UHFFFAOYSA-N 286.114 3.825 0 40 CHAB COc1cccc(-c2n[nH]c([C@@H](C)c3ccccc3)n2)c1 642882620 UNGVWRRTIPKJBO-LBPRGKRZSA-N 279.343 3.632 0 40 CHAB COc1c(Br)ccc(C(F)F)c1F 575629325 QFWHNBRNKKEOJY-UHFFFAOYSA-N 255.033 3.534 0 40 CHAB Cc1ccc(C(=O)Nc2cccc3cccnc23)cc1 572082 WMHRIYVSXYZDGA-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB CCN(Cc1ccncc1)Cc1ccccc1Cl 103430054 VVPIBJFYLQUUAH-UHFFFAOYSA-N 260.768 3.757 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cn2c(C)cccc2n1 12525551 PCUYZTADGREADF-UHFFFAOYSA-N 279.343 3.512 0 40 CHAB Cc1ccc(NC(=O)Nc2ccccc2S)cc1 16293112 AEDDGKUASWQYRT-UHFFFAOYSA-N 258.346 3.928 0 40 CHAB COc1cccc(NC(=S)Nc2cc(F)cc(F)c2)c1 17515668 GATGXDBXNPMPKC-UHFFFAOYSA-N 294.326 3.782 0 40 CHAB COc1ccc(NC(=O)c2ccc(C(C)C)cc2)c(N)c1 19409484 NNEXJOMTDFVTQS-UHFFFAOYSA-N 284.359 3.653 0 40 CHAB Cc1cccc(Nc2nc(=O)c3ccccc3s2)c1 19819380 HORPNOIWPUGBLM-UHFFFAOYSA-N 268.341 3.709 0 40 CHAB Clc1ccccc1CNc1ncnc2sccc12 3341314 IZKYOIPATYYZMJ-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 6831659 YQUQETWBZNHREI-HNNXBMFYSA-N 290.366 3.968 0 40 CHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CC1 17122904 PFPDSIPOLGFTFA-UHFFFAOYSA-N 292.791 3.664 0 40 CHAB Cc1cn(C)c([C@@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 1848352221 RGBVIRSAEGKSDQ-KRWDZBQOSA-N 294.402 3.547 0 40 CHAB C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1cccs1 23265457 JKHHCUCCEFBQEY-XVKPBYJWSA-N 278.204 3.509 0 40 CHAB CCSc1nnc(C)c2cnn(-c3ccc(C)c(C)c3)c12 23137773 GWZOKYHFIDVYEG-UHFFFAOYSA-N 298.415 3.853 0 40 CHAB C[C@H]1C[C@@H](C)CN(CCCCOc2cccc(C=O)c2)C1 217795345 PGVUUDCCVVLVQM-IYBDPMFKSA-N 289.419 3.636 0 40 CHAB C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(F)c1 40121710 BPPLMRBWUIGYLG-VIFPVBQESA-N 270.735 3.885 0 40 CHAB COc1ccccc1OC(=O)c1ccc(C)c(C)c1 364338 MFIPOANRROMTGM-UHFFFAOYSA-N 256.301 3.531 0 40 CHAB CCC[C@H](C)NC(=O)c1cccc2c(C)c(C)[nH]c12 32777825 VXMSOOXLRLTKMP-JTQLQIEISA-N 258.365 3.703 0 40 CHAB CCSC1=NN=C(c2ccccc2)[C@@H](c2ccccc2)N1 33915 MXUDMDGTBPTUJI-OAHLLOKOSA-N 295.411 3.844 0 40 CHAB COc1cc(OC)c(C2SCCCS2)cc1OC 367450 GUZGYERUUISDON-UHFFFAOYSA-N 286.418 3.581 0 40 CHAB CCN(CC)C[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1671249 AJVAWAZHINELBV-MOPGFXCFSA-N 283.415 3.846 0 40 CHAB Cc1cc(C)cc([C@@H]2CCCN2C(=O)Cc2cccnc2)c1 79349733 IALFRRZLIQFHQY-SFHVURJKSA-N 294.398 3.605 0 40 CHAB CC[C@H](C)c1ccc(OCC(=O)Nc2nccs2)cc1 505773 GLVBJAIMVCGHER-NSHDSACASA-N 290.388 3.674 0 40 CHAB C[C@@H](c1ccccc1)N1C(=O)c2ccc(Cl)cc2C1=O 3204646 SIMMMMCKUBTESI-JTQLQIEISA-N 285.730 3.697 0 40 CHAB CCC(C)(C)NC(=O)c1cnc(-c2ccccc2)s1 42212323 CJACCLHTNSYLPG-UHFFFAOYSA-N 274.389 3.729 0 40 CHAB C[C@H]1c2cccc(C(=O)NCC3CCCCC3)c2O[C@@H]1C 23076293 XOVLRDGJKCZKTL-CHWSQXEVSA-N 287.403 3.881 0 40 CHAB CCCOc1ccc(NC(=O)C(F)(F)F)cc1Cl 112022049 PPTDGFVRQYXGPU-UHFFFAOYSA-N 281.661 3.630 0 40 CHAB CCc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 72331428 KHYPFUISJAPTEB-UHFFFAOYSA-N 273.763 3.832 0 40 CHAB COc1ccc(Cl)cc1C(=O)NCc1sccc1C 25676827 MADSYZLHBXREJR-UHFFFAOYSA-N 295.791 3.649 0 40 CHAB CC(C)CCC(=O)Nc1ccc(Oc2ncccn2)cc1 48202045 KFKNUJGXPMGYHM-UHFFFAOYSA-N 285.347 3.644 0 40 CHAB Cc1cccc(C(=O)O[C@@H](C)CN2[C@@H](C)CCC[C@@H]2C)c1 3904885 CDLAWMHMQXCIAA-JYJNAYRXSA-N 289.419 3.803 0 40 CHAB CC(=O)N[C@@H]1Sc2ccccc2N=C1c1ccc(C)cc1 6029808 CKFTUQSHNJHTSQ-QGZVFWFLSA-N 296.395 3.684 0 40 CHAB CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccccc1)=NO2 5173821 YZNQGSYFLNIVQA-IBGZPJMESA-N 292.382 3.935 0 40 CHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1C 14170235 UBFBSNGZMHCEOO-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB CC(C)c1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1 14222218 SUDJFTDWGMYMLU-UHFFFAOYSA-N 297.358 3.553 0 40 CHAB CC(C)(C)COC(=O)/C=C/SCc1ccco1 84169878 RYQBBVITFWLUDV-SOFGYWHQSA-N 254.351 3.616 0 40 CHAB CCCCOc1cccc(C(=O)Nc2cccc(N)c2)c1 19736035 INTJFOISTXFNFF-UHFFFAOYSA-N 284.359 3.700 0 40 CHAB C[C@H](N[C@@H](C)c1nc2ccccc2o1)c1ccncc1 97083999 OSYBLPZJSQETPO-RYUDHWBXSA-N 267.332 3.635 0 40 CHAB CCc1ccc2nc(-c3ccc(CN)cc3)sc2c1 62720019 NOLARYXXXCYVJW-UHFFFAOYSA-N 268.385 3.984 0 40 CHAB C[C@H](NC(=O)c1ccccc1OC1CCC1)c1cccnc1 96411179 YQXNOFXXWXSZFC-ZDUSSCGKSA-N 296.370 3.504 0 40 CHAB O=C(O)c1csc2c1CC[C@@H](c1ccccc1)C2 9646745 ZJGLZSUOMCGIQE-LLVKDONJSA-N 258.342 3.719 0 40 CHAB CC(C)c1ccc(NC(=O)Cn2ccnc2C(C)C)cc1 95444429 CMRBMCZGVXJQQT-UHFFFAOYSA-N 285.391 3.769 0 40 CHAB CCC[C@H](C)NC(=O)N[C@H](C)c1cccc(Cl)c1 32795120 UGGBRVZKTIFJEN-WDEREUQCSA-N 268.788 3.889 0 40 CHAB COC(=O)c1ccc2nc(-c3ccccc3)sc2c1 37637252 TZJJEAGYCBPWHO-UHFFFAOYSA-N 269.325 3.750 0 40 CHAB Clc1cc(-c2ccc(Br)cc2)no1 39043581 PFWSLFIOHIDIAK-UHFFFAOYSA-N 258.502 3.758 0 40 CHAB CCOC(=O)c1cc2cccc(Br)c2s1 75903353 QMDPVCJTYPUFDS-UHFFFAOYSA-N 285.162 3.841 0 40 CHAB CC(=O)N1CCC[C@H](c2cccc(-c3cccc(C)c3)n2)C1 72357544 TYVXJJDERMTXEV-KRWDZBQOSA-N 294.398 3.783 0 40 CHAB CC(C)CNc1ncccc1[C@H]1CCCN1C(C)C 72213254 UAWUNIWKMNGZSC-OAHLLOKOSA-N 261.413 3.695 0 40 CHAB COC(=O)c1cccc(NC(=O)c2cc(C)ccc2C)c1C 44625009 XJXPCDFIWQOJIQ-UHFFFAOYSA-N 297.354 3.651 0 40 CHAB O=C(O)[C@@H](Cc1ccc(F)cc1)Sc1ccccc1 225054923 CWOZFCMHUFEQKU-CQSZACIVSA-N 276.332 3.614 0 40 CHAB Cc1ccc2[nH]c(C3CN(Cc4ccccc4F)C3)nc2c1 85467288 GJANNUJXYJNSNC-UHFFFAOYSA-N 295.361 3.610 0 40 CHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2oc(C)nc2C)c1 89616446 OMWZZWKRQHGGAF-INIZCTEOSA-N 298.386 3.886 0 40 CHAB CC(C)(C)c1cc(Cl)ccc1OC[C@H]1CCNC1 42771053 ICFMHIGFWSGWEA-NSHDSACASA-N 267.800 3.626 0 40 CHAB COc1ccccc1C(=O)NCc1cccc2ccccc12 222829689 ZGSXXWGVSLEJNB-UHFFFAOYSA-N 291.350 3.778 0 40 CHAB Fc1ccc(NC(=S)NC2(C3CC3)CCCC2)c(F)c1 225857495 WHKDQSDKVKWOTB-UHFFFAOYSA-N 296.386 3.974 0 40 CHAB Cc1cc(C)cc(Nc2ccc(N)cc2C(=O)NC(C)C)c1 225465961 MADCSNXQUFKHBC-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB C[C@H](SC[C@@H](O)C(F)(F)F)c1nc2ccccc2o1 191154469 XPAVJPONPDMEMV-OIBJUYFYSA-N 291.294 3.545 0 40 CHAB CC(C)n1ccc2c(C(=O)Nc3ccccn3)cccc21 95480741 HENGKCZCTPJXBC-UHFFFAOYSA-N 279.343 3.870 0 40 CHAB O=C(COc1ccccc1)c1cc(F)ccc1Cl 97885111 UGIOVFRXYUCOIO-UHFFFAOYSA-N 264.683 3.741 0 40 CHAB CCc1nc(CNc2cc(CN(C)C)ccc2C)cs1 96482925 XCOCOVYATPJWAG-UHFFFAOYSA-N 289.448 3.688 0 40 CHAB CC(=O)Nc1cc(C)c2oc(-c3ccc(F)cc3)nc2c1 98086956 WRYHWZCTSCVEFO-UHFFFAOYSA-N 284.290 3.901 0 40 CHAB C[C@@H]1CCN(C(=O)CCc2ccco2)[C@@H](c2ccco2)C1 96441264 ZGQZSBFWERQWPH-UKRRQHHQSA-N 287.359 3.805 0 40 CHAB COc1c(C)cc(C(=O)C(Cl)(Cl)Cl)cc1C 394756269 RJXRIUBSMFUDGZ-UHFFFAOYSA-N 281.566 3.865 0 40 CHAB CSc1cc(-c2csc(C)n2)ccc1NC(C)=O 48640242 GNLWJWNORZVRKR-UHFFFAOYSA-N 278.402 3.799 0 40 CHAB CSc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 100672 PXCPXPCAXFUXPM-PTNGSMBKSA-N 295.363 3.753 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2)c(C)c1 558016 UBTDHCKPJAHOHN-UHFFFAOYSA-N 268.360 3.622 0 40 CHAB CC(C)COC(=O)C[C@@H](c1ccccc1)N1CCCCC1 5962693 HYIJHOKIEBOURB-KRWDZBQOSA-N 289.419 3.803 0 40 CHAB Cc1nc2ccccc2nc1-c1nc2ccccc2o1 16265645 MGWDSWAWMRGILN-UHFFFAOYSA-N 261.284 3.746 0 40 CHAB c1ccc([C@@H]2OCCCO[C@@H]2c2ccccc2)cc1 17426845 VJYFNYXNGNWAIQ-CALCHBBNSA-N 254.329 3.906 0 40 CHAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccccc1Cl 19287496 BRIMBVNNBNSQCR-SUMWQHHRSA-N 299.805 3.700 0 40 CHAB Cc1cs/c(=N/[C@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)o1 4426891 HGVTVYHFXJHDNH-YSZLZLDLSA-N 251.395 3.765 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1C 240625 IZQIQRCBLPNYEN-CQSZACIVSA-N 253.345 3.794 0 40 CHAB O=C(OCc1ccc(Cl)cc1)c1ccccc1F 1960504 UIOIBTRYLFKORW-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB Cc1ccc(C)c(Nc2ncnc3c2ncn3C2CC2)c1 1888906812 FNOMRRIDNNUZFE-UHFFFAOYSA-N 279.347 3.522 0 40 CHAB CC[C@H](C(=O)c1cccc(OC(C)=O)c1)c1ccccc1 575362235 PETVHOZYXYLAIX-KRWDZBQOSA-N 282.339 3.988 0 40 CHAB CC(C)CCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 226791971 UDEZXSILUHVRMC-CJNGLKHVSA-N 251.414 3.850 0 40 CHAB CCC[C@@H](C)NC(=O)Nc1ccc(Br)cc1 40023776 ZSQFUEKRJIRUQH-SECBINFHSA-N 285.185 3.759 0 40 CHAB CSc1ccc(NC(=O)N[C@H](C)C(C)C)cc1 40104224 RONIRFOEOHBDSN-SNVBAGLBSA-N 252.383 3.575 0 40 CHAB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc(Cl)cc1 100449390 COYXELRUTBMBIR-UMSPYCQHSA-N 280.751 3.804 0 40 CHAB COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1N 151387 MVNJKWXUKRBAPH-UHFFFAOYSA-N 287.384 3.663 0 40 CHAB O=C(Nc1nc(=S)ss1)c1ccccc1Cl 238393 ICBUVRXJIBYEHH-UHFFFAOYSA-N 288.806 3.840 0 40 CHAB O=C(Nc1ccccc1Br)[C@@H]1C[C@H]2C=C[C@H]1C2 101407140 UQOMILOVXRWKAF-GARJFASQSA-N 292.176 3.600 0 40 CHAB c1ccc2c(c1)SCCN2Cc1nc2ccccc2o1 32538305 FOKUAVFJGXPQPU-UHFFFAOYSA-N 282.368 3.940 0 40 CHAB COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1OC 383698 WQYMTFDICVNBOM-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB O=C(CCc1ccccc1)NC1CCC(C(F)(F)F)CC1 32906153 VDHWEORREVKOSV-UHFFFAOYSA-N 299.336 3.857 0 40 CHAB CC(C)CC(=O)Oc1ccc(O)c(C(C)(C)C)c1 363876 SRQHHSCZCNPQOF-UHFFFAOYSA-N 250.338 3.641 0 40 CHAB CCOc1ccc2nc3sc(C(C)=O)c(N)c3cc2c1 422079 NHIJGBZNSPUYIG-UHFFFAOYSA-N 286.356 3.633 0 40 CHAB CC1(C)CC[C@@H](NC(=O)c2cscn2)c2ccccc21 78482964 SLRDDCPOGSAYES-CYBMUJFWSA-N 286.400 3.686 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)NC1CCCCCC1 2737733 FAZIDNXOAMEPNT-FMIVXFBMSA-N 261.340 3.678 0 40 CHAB O=C(CCCOc1ccccc1)NCCCc1ccccc1 10110350 AJTQCBVBZNHCMQ-UHFFFAOYSA-N 297.398 3.595 0 40 CHAB Cc1ccc(CCC(=O)NCCSc2ccccc2)cc1 10358738 LAVFTUWFRQEAKZ-UHFFFAOYSA-N 299.439 3.836 0 40 CHAB COc1ccc2oc(C)c(C(=O)NC3CCCCC3)c2c1 870290 ZGLXZFNEQVVYHJ-UHFFFAOYSA-N 287.359 3.812 0 40 CHAB CC(C)[C@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 57160113 MSJBBPZPROUOTO-QWRGUYRKSA-N 285.840 3.981 0 40 CHAB Cc1ccc(NC(=O)c2cn(C)c3ccccc23)c(F)c1 12609347 BCTLCECAIBDIHM-UHFFFAOYSA-N 282.318 3.878 0 40 CHAB Cc1ccc(NC(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100979690 PEFGLBUQBGPATL-MCIONIFRSA-N 258.365 3.553 0 40 CHAB Cc1cc(C)c2cc(C(=O)N3CCC[C@@H](C)C3)[nH]c2c1C 28267646 OUNDTRDWBYKNQR-LLVKDONJSA-N 284.403 3.965 0 40 CHAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1 28781060 HDYCKLOKTKQXHR-ZDUSSCGKSA-N 282.387 3.870 0 40 CHAB O=C(O)c1csc(Nc2ccc(C(F)(F)F)cc2)n1 2528925 HGYPILVCKPTZHI-UHFFFAOYSA-N 288.250 3.604 0 40 CHAB CC(C)(C(=O)Nc1ccc(F)cc1F)c1ccccc1 48420780 GVURTJVCKFRXJL-UHFFFAOYSA-N 275.298 3.881 0 40 CHAB Cc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1F 13320309 DTSHIKVFHYOZIK-GHMZBOCLSA-N 264.344 3.644 0 40 CHAB O=C(Oc1cccc2ccccc12)c1c[nH]c2ncccc12 63685318 NADHSCCYGQAWRC-UHFFFAOYSA-N 288.306 3.935 0 40 CHAB C[C@H](CN(C)C)C(=O)c1cccc(OCc2ccccc2)c1 65740467 OVQPVGKUBSDXLE-OAHLLOKOSA-N 297.398 3.646 0 40 CHAB in-vitro CCCN(CC)C(=O)c1c(C)noc1-c1ccccc1 96011176 DSBDOYKCWAYIOA-UHFFFAOYSA-N 272.348 3.522 0 40 CHAB O=C(O)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 19675451 GZARGZVVWXVOKP-CYBMUJFWSA-N 264.683 3.696 0 40 CHAB CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 7885454 LLJBMTPTYUQXTJ-ABAIWWIYSA-N 270.332 3.645 0 40 CHAB Cc1nc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)cs1 9959207 CCSWMVAXTQFVTO-ZNFPLGDCSA-N 298.411 3.828 0 40 CHAB O=C(CC1(C(=O)O)CCCCCCC1)N1CCCCCC1 72209742 RIBRXKAUXOODTN-UHFFFAOYSA-N 295.423 3.594 0 40 CHAB COc1ccc(C(C)C)cc1C(=O)N1CCC(C)CC1 72206470 DDFGQSFJRSBIOE-UHFFFAOYSA-N 275.392 3.691 0 40 CHAB C[C@H](CNC(=O)CSCc1ccccc1)c1ccccc1 44508612 OBWRXXDAWCVVGA-OAHLLOKOSA-N 299.439 3.840 0 40 CHAB Cc1nc2cc(NC(=O)Nc3cccc(F)c3)ccc2o1 338228677 ALWBJZCBSCYNIM-UHFFFAOYSA-N 285.278 3.919 0 40 CHAB CCC[C@@]1(CCNC(=O)c2ccco2)CCOC(C)(C)C1 96113841 XUJOFYLUHOFQKW-QGZVFWFLSA-N 293.407 3.775 0 40 CHAB biogenic CC[C@H]1CCCC[C@H]1OC(=O)CSc1ccncc1 97039677 NVSUDNMRHYBVMB-GXTWGEPZSA-N 279.405 3.686 0 40 CHAB O=C(O)COc1cccc(F)c1Oc1ccc(Cl)cc1 257258236 KSXZHMVTXUZAPF-UHFFFAOYSA-N 296.681 3.735 0 40 CHAB COc1ccc(C(=O)c2cccc(Cl)c2C)cc1 95916342 WSQATHHOERPJDR-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB C[C@@H](NC(=O)C(C)(C)C)c1nc(C(C)(C)C)cs1 69702526 QAUSYXYHMVZMBG-SECBINFHSA-N 268.426 3.664 0 40 CHAB O=C(NCCc1ccc(Cl)s1)c1ccc(Cl)o1 48290411 ILBXAIVPPMRKEP-UHFFFAOYSA-N 290.171 3.620 0 40 CHAB Cc1nc(C)c([C@H](C)NC(=O)c2c(C)oc(C)c2C)s1 48749471 NXGCWWLSZOLGIQ-VIFPVBQESA-N 292.404 3.769 0 40 CHAB CCOC(=O)c1cc(-n2cccc2)ccc1N1CCCCC1 146431 WLMUXZHXWSYXPJ-UHFFFAOYSA-N 298.386 3.644 0 40 CHAB Cc1cscc1C(=O)Nc1ccc2c(c1)NCCC2 94248343 AFEDTIJLYGKWOE-UHFFFAOYSA-N 272.373 3.667 0 40 CHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 5529897 NVKAWKQGWWIWPM-WAIVNJGQSA-N 290.447 3.959 0 40 CHAB biogenic C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1c[nH]c2ccccc12 5299808 ZJJQEGRGFHAJNY-VXGBXAGGSA-N 271.364 3.963 0 40 CHAB Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1C 12441529 ORMAJIGQDDTDQC-SFHVURJKSA-N 295.382 3.517 0 40 CHAB Cn1/c(=N/CCc2ccccc2)oc2ccc(Cl)cc21 13222578 BCHPJEFRKSVJKI-VLGSPTGOSA-N 286.762 3.568 0 40 CHAB C[C@]12CCC3=C(CCc4cc(O)ccc43)C1=CCC2=O 16606216 KGXSTJRDEGIHOS-SFHVURJKSA-N 266.340 3.791 0 40 CHAB C(=C\c1csnn1)\c1ccc(/C=C/c2csnn2)cc1 17176664 VSOOOCVTXWGMNV-CGXWXWIYSA-N 298.396 3.730 0 40 CHAB CC[C@@H](C)OC(=O)OCCCC(F)(F)C(F)(F)F 169795799 XVYATOPPTQERJJ-SSDOTTSWSA-N 278.217 3.916 0 40 CHAB O=C(NCc1ccco1)Nc1ccccc1C(F)(F)F 1590164 BJRWYIUHXULGTJ-UHFFFAOYSA-N 284.237 3.620 0 40 CHAB CCCC[C@@H](CC)C(=O)NCc1ccc(OC)cc1 5591047 JGVKKFXASOGEES-CQSZACIVSA-N 263.381 3.528 0 40 CHAB CC[C@H](C(=O)c1ccc(OC(C)=O)cc1)c1ccccc1 575362269 QXVAPCYPNSMGOG-KRWDZBQOSA-N 282.339 3.988 0 40 CHAB C[C@@H](Sc1nnc2ccccn12)c1ccccc1 32945189 ZFEXXUYVUFQIBH-LLVKDONJSA-N 255.346 3.583 0 40 CHAB COc1ccc2oc(-c3cccs3)cc(=O)c2c1 33505 VIMAKJFVHGFIGU-UHFFFAOYSA-N 258.298 3.530 0 40 CHAB biogenic CCC(C)(C)NC(=O)c1nc(-c2ccco2)sc1C 29880169 UXVMCGREBLJFTK-UHFFFAOYSA-N 278.377 3.630 0 40 CHAB Nc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1 1105974 FRJVLWLHQPGVPB-UHFFFAOYSA-N 292.367 3.707 0 40 CHAB CCCCCC[C@H](C)N1C(=O)c2ccccc2C1=O 1571210 XHEHIHZWIAZNFX-LBPRGKRZSA-N 259.349 3.642 0 40 CHAB O=c1cc(-c2ccc(F)cc2)oc2ccc(F)cc12 521402 NDTWLKGEWWHCQG-UHFFFAOYSA-N 258.223 3.738 0 40 CHAB biogenic Cc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 6339016 MAWNGIKBPGXXOU-CQSZACIVSA-N 269.344 3.709 0 40 CHAB CCOC(=O)Cc1coc2cc(C)c(Cl)cc12 6703753 FEQWXMRXXRKPNY-UHFFFAOYSA-N 252.697 3.500 0 40 CHAB Cc1cccc(C)c1Oc1ncccc1CNC(C)C 12308982 YZNBZMOHAMMWNK-UHFFFAOYSA-N 270.376 3.989 0 40 CHAB O=C1[C@H]2CC[C@@H](C2)[C@@H]1Sc1nc2ccccc2s1 100970805 NNTCZFYTRJNYDB-RVBZMBCESA-N 275.398 3.756 0 40 CHAB Cc1nc2ccc(C(=O)NC3CCCCC3)cc2s1 8375177 YNNLDNKWHKAHBL-UHFFFAOYSA-N 274.389 3.667 0 40 CHAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)s1 104810838 RELNPVHRGMKICG-DOERSZECSA-N 277.433 3.919 0 40 CHAB CC(C)[C@H](CCNCc1cccnc1)c1ccco1 8990950 MWYIOJHPPUWWDW-HNNXBMFYSA-N 258.365 3.594 0 40 CHAB CCCCCOc1ccc(NC(=O)c2cccnc2)cc1 3080186 ZHUZZHXGOFAZDZ-UHFFFAOYSA-N 284.359 3.903 0 40 CHAB CCCC(=O)Nc1ccc(CNCc2ccsc2)cc1 47719484 IGNFKJLEDYCVNJ-UHFFFAOYSA-N 288.416 3.777 0 40 CHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C)cn1 9338791 GGRHEXSJDYSXBC-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CCOc1ccccc1NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 102934268 AIWJTJUBCUJDJF-OBJOEFQTSA-N 290.432 3.560 0 40 CHAB Cc1nc(-c2ccccc2Br)sc1[C@H](C)O 44594198 TZJVDAJYUOLTSK-QMMMGPOBSA-N 298.205 3.934 0 40 CHAB in-vitro Cc1ccc(C)c(CNC(=O)Nc2ccccc2)c1 3219155 AFZLWJDRFLEHKN-UHFFFAOYSA-N 254.333 3.625 0 40 CHAB CN(C(=O)CCCOc1ccccc1)C1CCCCC1 20484494 MMEVJVQHKYRUTG-UHFFFAOYSA-N 275.392 3.637 0 40 CHAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C1 101261773 GIXJWQWFZRJSRT-ZDLIJIFBSA-N 281.446 3.625 0 40 CHAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101380094 NBDWCOHJPGBZBD-FMVNMVDZSA-N 277.795 3.895 0 40 CHAB C[C@]12CC3CC(C(=O)NCc4ccncc4)(C1)C[C@](C)(C3)C2 100796404 PJNZVEVZNJXUJB-KNCVXQGMSA-N 298.430 3.694 0 40 CHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccoc1C 11573061 WFDCDDXEGZIIBV-UHFFFAOYSA-N 284.359 3.749 0 40 CHAB CC(=O)Nc1ccc(C(=O)Nc2cc(C)cc(C)c2)s1 12853340 COUPDWFAJCLQBF-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB Cc1cccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 13131803 YEDIBVFJZQKFGD-IAGOWNOFSA-N 290.370 3.733 0 40 CHAB aggregator CN(Cc1ccco1)C(=O)N[C@@H](c1ccccc1)C1CC1 23186883 RTYIRNWMHAFHSX-INIZCTEOSA-N 284.359 3.572 0 40 CHAB COc1c(Cl)ccc(Br)c1Cl 71781768 ANLVZYYGYBXMIX-UHFFFAOYSA-N 255.926 3.765 0 40 CHAB Cc1ccc2[nH]cc(C(=O)CN3C[C@H](C)C[C@@H](C)C3)c2c1 5562918 HNRFCWZHAGGJBO-ZIAGYGMSSA-N 284.403 3.637 0 40 CHAB CC(=O)Nc1ccc(SCc2cccs2)cc1 96997446 QLBCPTPUMOTUNH-UHFFFAOYSA-N 263.387 3.999 0 40 CHAB O=C(O)c1cccc(CSCc2ccccc2)c1 8729643 YDYVIMMVEKBNRY-UHFFFAOYSA-N 258.342 3.818 0 40 CHAB CC(C)c1ccc(CNC(=O)c2cccc(F)c2)cc1 72331470 PZXSLZJDEMRFKE-UHFFFAOYSA-N 271.335 3.879 0 40 CHAB CC[C@H](N)c1ccc(N2CCCc3ccccc32)nc1C 72224966 SKCCKXCBBRMITE-INIZCTEOSA-N 281.403 3.884 0 40 CHAB COc1cccc(-c2cnc(Br)s2)c1 72204729 UJDYTKWTQDHYGZ-UHFFFAOYSA-N 270.151 3.581 0 40 CHAB COc1ccc([C@@H](NCc2cccnc2)C(C)C)cc1 32102289 CMZRPAFWHBYWIY-KRWDZBQOSA-N 270.376 3.577 0 40 CHAB CC(C)CO[C@H](Cc1cccc2ccccc12)C(=O)O 225050076 QXDPFKDIPJKZAL-MRXNPFEDSA-N 272.344 3.508 0 40 CHAB CC[C@@]1(C)Oc2ccc(NCc3ccccn3)cc2O1 195574623 JKCZDFYHPPEFTH-INIZCTEOSA-N 270.332 3.591 0 40 CHAB Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1C 225536336 CWVUFAMAFSUGGB-UHFFFAOYSA-N 285.362 3.805 0 40 CHAB CC[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccccc1 222653015 VYQTXJSYEMGISV-QGZVFWFLSA-N 297.398 3.814 0 40 CHAB Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)nc1 45028571 YOXGGNFURZRWDS-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CC(C)Cn1c(CC2CCCCC2)ccc1C(=O)O 226023799 RPLMSTSYJXYNBH-UHFFFAOYSA-N 263.381 3.965 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)NCC1=CCCCC1 223409201 GACILJMSRWORLB-CYBMUJFWSA-N 275.417 3.784 0 40 CHAB COC(C)(C)C[C@@H](C)N[C@@H](C)c1cn(C(C)(C)C)nc1C 96478585 DOJVUYFSPSVFFG-OLZOCXBDSA-N 295.471 3.801 0 40 CHAB CCOC(=O)CCCOc1c(Cl)cccc1Cl 95738573 SLUJNXAFRYUNTH-UHFFFAOYSA-N 277.147 3.716 0 40 CHAB CC(C)c1ccc(C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 95634423 XAGDIIWOXPHYBW-GJZGRUSLSA-N 272.344 3.660 0 40 CHAB O=C(Nc1ccccn1)C1(c2cccc(Cl)c2)CCC1 42687934 HOPMAKYBSKRNMB-UHFFFAOYSA-N 286.762 3.795 0 40 CHAB O=C(Nc1ccc2ncccc2c1)c1cccs1 888823 QPYGEPOKKUXCIC-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 12893233 MPYVILMQJYFSOI-QGZVFWFLSA-N 296.370 3.600 0 40 CHAB Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 13670664 VJCNHPPHCCQKJQ-UHFFFAOYSA-N 283.371 3.712 0 40 CHAB CCCCOc1ccc(C(=O)Nc2ccccc2N)cc1 19441924 YUOIHEMPZOANBP-UHFFFAOYSA-N 284.359 3.700 0 40 CHAB CCCNC(=O)c1oc2ccc(Br)cc2c1C 14181979 JTTVBJHDZMJVKY-UHFFFAOYSA-N 296.164 3.644 0 40 CHAB C[C@@H](NC(=O)c1ccco1)c1cccc2ccccc12 4656404 ZWUOKPDIOKQQBO-GFCCVEGCSA-N 265.312 3.924 0 40 CHAB Fc1cccc(CSc2ccc(-c3ccccn3)nn2)c1 4357998 KISTWNMAPGDNDO-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB CC[C@@]1(C)OC(=O)N2CCc3c([nH]c4ccc(C)cc34)[C@]21C 4786461 YJPWBRBWODCYEW-MSOLQXFVSA-N 298.386 3.869 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CC[C@H](c2ccccc2)C1 38935619 OXSYWVRLSRRZSG-AWEZNQCLSA-N 284.334 3.847 0 40 CHAB OCc1cccc(-c2nc3cc(Cl)ccc3o2)c1 16400023 UPYRRWKWORASQY-UHFFFAOYSA-N 259.692 3.641 0 40 CHAB COCc1ccccc1CNC(=O)Nc1ccc(C)c(C)c1 40095479 GYNWWJLTOOVEOD-UHFFFAOYSA-N 298.386 3.772 0 40 CHAB O=C1O[C@@H](Nc2ccccc2C(F)(F)F)c2ccccc21 91688 KDPAAURUHSEXJX-CYBMUJFWSA-N 293.244 3.987 0 40 CHAB Cc1nnc([C@@H](C)NC(c2ccccc2)c2ccccc2)o1 40555322 IRIHOOBDQWFUBJ-CYBMUJFWSA-N 293.370 3.818 0 40 CHAB COc1ccc2cc(C(=O)Nc3ccc(F)cc3C)[nH]c2c1 32759446 LTPLGIYQSQREKP-UHFFFAOYSA-N 298.317 3.876 0 40 CHAB Cc1noc(C)c1CSc1nnc(C(C)C)n1C1CC1 32865338 FMJIWVVPFAPNBY-UHFFFAOYSA-N 292.408 3.634 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc(C)nc1 32895362 GNOBYCLHQJOPSH-UHFFFAOYSA-N 254.333 3.513 0 40 CHAB O=C1c2ccccc2-c2cccc(C(=O)N3CCCCC3)c21 135074 GISDAUOOURFAPH-UHFFFAOYSA-N 291.350 3.524 0 40 CHAB Cc1ccc(NC(=O)Cc2cccs2)cc1Cl 341340 YYWQUDLJNHFLHQ-UHFFFAOYSA-N 265.765 3.891 0 40 CHAB Cc1ccccc1S(=O)(=O)Nc1cccc(Cl)c1C 365198 IZASIFIDXPGBLQ-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB Cc1ccc(-c2nnc3n2N=C(C(C)(C)C)CS3)cc1 532129 LJVZFQSDHIEBRI-UHFFFAOYSA-N 286.404 3.609 0 40 CHAB O=C(Cc1cccs1)NCc1cccc(C(F)(F)F)c1 1438002 SJAVSGRPTJXTFR-UHFFFAOYSA-N 299.317 3.626 0 40 CHAB CCCCCC[C@H](C)NC[C@H](O)COc1cccc(C)c1 1731828 VEOSVJOBGXMFHF-IRXDYDNUSA-N 293.451 3.683 0 40 CHAB COc1ccc(-c2nnc(Cl)c3ccccc23)cc1 2505846 DZYAPEMXDAIQLY-UHFFFAOYSA-N 270.719 3.959 0 40 CHAB in-vitro Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C)c1 2762861 FTNRCEZUFGCGMK-CQSZACIVSA-N 269.344 3.709 0 40 CHAB CCc1cccc(NC(=O)c2c(OC)cccc2OC)c1 3336904 IRDFHDWTGPNMLI-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB Cc1cc2cc(CNC(=O)c3cccc(F)c3)ccc2n1C 4061503 JQRNZUNAOXROBI-UHFFFAOYSA-N 296.345 3.556 0 40 CHAB O=C(O)c1ccccc1C(=O)O[C@@H]1CCC[C@@H]2CCC[C@@H]21 4990561 VEGRITIPQKETSW-SLEUVZQESA-N 288.343 3.510 0 40 CHAB COc1ccc(CN(C)C(=O)c2cccc(Cl)c2)cc1 7871756 WLQLONSOJNFWAP-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB O=C(CNc1cccc(F)c1)Nc1ccc(Cl)cc1 7971917 NSQGMCBHZVVYPJ-UHFFFAOYSA-N 278.714 3.530 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@H]2c2cccn2C)c1 9721995 GHRRTTFMUJNUAR-INIZCTEOSA-N 283.375 3.703 0 40 CHAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1C 10442019 VGQYUDXAQOHAQC-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB CCc1ccc(/C=C2\C(=O)Nc3ccccc32)s1 12352634 MFRZHGSWQHNIEA-LCYFTJDESA-N 255.342 3.803 0 40 CHAB O=C(NCc1ccccc1)N[C@@H](c1ccccc1)C1CC1 12783686 SOSZDQRUMWLKQQ-KRWDZBQOSA-N 280.371 3.637 0 40 CHAB COc1cccc(NC(=O)Nc2cc(C)ccc2C)c1 12865875 ZBPYUYZJWVNLAI-UHFFFAOYSA-N 270.332 3.956 0 40 CHAB Cc1cc(NC(=O)c2cc(Cl)sc2Cl)on1 13596758 LNKIPPBSDOEXLY-UHFFFAOYSA-N 277.132 3.604 0 40 CHAB CCC(CC)NC(=S)Nc1ccc(C)cc1C 13823716 VLDHBBDSVFLGSN-UHFFFAOYSA-N 250.411 3.778 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 14603080 AGERWBYLPJUVRF-HZMBPMFUSA-N 298.411 3.893 0 40 CHAB Clc1ccc(O[C@H]2CCNC2)c(Cc2ccccc2)c1 14632294 FDZIEVZAPVOSFO-INIZCTEOSA-N 287.790 3.672 0 40 CHAB CCOC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn12 19898723 GTFXFPIISCBSLU-UHFFFAOYSA-N 299.305 3.709 0 40 CHAB COc1cccc2cc([C@@H](C)NCc3ccncc3)oc12 20140566 XCHKGHZLVPUYDM-GFCCVEGCSA-N 282.343 3.687 0 40 CHAB Clc1ccc(-n2nc(Cl)nc2-c2ccccn2)cc1 22125759 GHLAEDMJUDIRLZ-UHFFFAOYSA-N 291.141 3.636 0 40 CHAB CC[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 32895713 WTJORUAMKALNSE-QMMMGPOBSA-N 255.745 3.642 0 40 CHAB Cc1cccc(C(=O)NC2CCCCC2)c1-n1cccc1 32931957 QMQORYSKYVZPEK-UHFFFAOYSA-N 282.387 3.848 0 40 CHAB CC[C@H](C)n1c(CCCO)nc2ccc(Cl)cc21 40407680 SBLBSZBHQBIJHJ-JTQLQIEISA-N 266.772 3.586 0 40 CHAB Cc1cc(OCC[C@@H]2CCCNC2)cc(C)c1Cl 42772956 VXDXFCFJOMHODC-ZDUSSCGKSA-N 267.800 3.725 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 44839152 AGUFJSLTNXBERX-ZBFHGGJFSA-N 277.408 3.766 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2ccccc2o1 60849561 GTTRFNWECPDGNM-TXEJJXNPSA-N 257.333 3.836 0 40 CHAB CC(C)c1noc(CN[C@H](C)c2ccccc2Cl)n1 65606543 MJEKGRUNTSSWHS-SNVBAGLBSA-N 279.771 3.697 0 40 CHAB CCC[C@@]1(C)CCCN(C(=O)c2cccc(OC)c2)C1 72303840 XHFZBKGORFHODQ-KRWDZBQOSA-N 275.392 3.738 0 40 CHAB Clc1cccc(-n2nncc2-c2ccccc2)c1 81394927 HHGRWXNBXGCVQC-UHFFFAOYSA-N 255.708 3.588 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H]2CCCC[C@@H]21 89807712 NNPQCMIYDAPREQ-GUYCJALGSA-N 282.387 3.963 0 40 CHAB O=C(c1cccc(F)c1)c1cccc(F)c1Cl 95917050 ZQYGBUWASWZYKY-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CCN1Cc2nc3ccccc3c(-c3ccccc3)c2C1=O 96026300 ODXMDDGZFJAYJK-UHFFFAOYSA-N 288.350 3.878 0 40 CHAB Cc1cccc(NC2CCN(Cc3nc(C)c(C)o3)CC2)c1 96421206 ODGZBYKQITWTEA-UHFFFAOYSA-N 299.418 3.676 0 40 CHAB C[C@@H]1CCCC[C@H]1N(C)Cc1nnc(C2CC2)n1C1CC1 97103352 ONURQICLVRDFQL-IUODEOHRSA-N 288.439 3.501 0 40 CHAB COc1ccc(NC(=O)c2cccc3c2CCCC3)cc1 98073327 SSKXJVSHARZYTF-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB CC(C)Oc1ccccc1C(=O)CC(=O)c1ccccc1O 113704275 VPWAJMKALXGAEY-UHFFFAOYSA-N 298.338 3.635 0 40 CHAB CCc1ccc(CC(=O)Nc2cccc(COC)c2)cc1 150777182 GAVHRCIFHRIKAQ-UHFFFAOYSA-N 283.371 3.577 0 40 CHAB Cc1nc2cc(NC(=O)N3CCC(C)CC3)ccc2s1 408980096 URHAILCUZNJUOV-UHFFFAOYSA-N 289.404 3.869 0 40 CHAB CC[C@@H]1CCCCN1C(=S)Nc1cccc(C)c1 3258885 KZCSHZLKKZMWCF-CQSZACIVSA-N 262.422 3.956 0 40 CHAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC(=O)O2 4655152 FWJIMKYKNBCAJA-NBOOPKSLSA-N 286.371 3.544 0 40 CHAB c1cc(CCSCSCCc2ccncc2)ccn1 6045117 WCHKTTVDIPNYRY-UHFFFAOYSA-N 290.457 3.686 0 40 CHAB O=C(Cc1c(Cl)cccc1Cl)NC(C1CC1)C1CC1 22503445 SABFASSKVHHYNY-UHFFFAOYSA-N 298.213 3.841 0 40 CHAB CC(=O)c1cccc(NC(=O)CCOc2ccc(C)cc2)c1 6887267 OQPPUZUSVSUTHS-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB COc1ccc(Cl)cc1NC(=O)CCc1ccccc1 711676 VZVLSFVZBJAHAH-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB Cc1ccc(CC(=O)NCCSc2ccccc2)cc1C 8361139 BJKNWPXTHHUARH-UHFFFAOYSA-N 299.439 3.754 0 40 CHAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999319 GSCPOBFEYKDEKQ-CZFOOCMKSA-N 279.330 3.519 0 40 CHAB Clc1ccc(-n2cc(COCc3ccccc3)nn2)cc1 1387977 BIGFCLISERWQGI-UHFFFAOYSA-N 299.761 3.638 0 40 CHAB Cc1ccc(CNc2cccc3[nH]ncc23)cc1C 37783985 OOPWIPINIMCEQR-UHFFFAOYSA-N 251.333 3.792 0 40 CHAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1N 26420933 GMELSFDQIKYXNM-UHFFFAOYSA-N 296.326 3.666 0 40 CHAB COCCCCNC(=O)c1ccccc1-c1ccccc1 48239359 IUWNCNKLAPTLBK-UHFFFAOYSA-N 283.371 3.510 0 40 CHAB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)NC2CC2)cc1 84284314 UNJDXWSUWVZYDR-INIZCTEOSA-N 286.419 3.993 0 40 CHAB Fc1ccc([C@@H]2C=C(c3cccs3)Nc3ncnn32)cc1 100835039 HOXWROUCOPRQDO-ZDUSSCGKSA-N 298.346 3.535 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](C)C1 22510309 NUPCVCUTSLXBFG-JSGCOSHPSA-N 295.810 3.756 0 40 CHAB COc1ccc(Cc2nnc(Nc3ccccc3)s2)cc1 27240967 YUGBENPNZHUXBT-UHFFFAOYSA-N 297.383 3.881 0 40 CHAB Cc1cc(N)n(-c2c(Cl)cc(Cl)cc2Cl)n1 2506719 ABLOGSPAFQBNMG-UHFFFAOYSA-N 276.554 3.723 0 40 CHAB Cc1cc(C)cc(C(=O)c2ccccc2CN2CCC2)c1 2515620 WTAPUPVWRHDEAA-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB C[C@H]1CCCN(Cc2cc(Cl)c3c(c2)OCO3)CC1 63308490 YGFMNDDVMCISSZ-NSHDSACASA-N 281.783 3.691 0 40 CHAB O=C(OCc1ccccn1)c1cc2c(F)cccc2s1 23030247 LACWHUZVIODXJQ-UHFFFAOYSA-N 287.315 3.792 0 40 CHAB Nc1cccc(Cl)c1OCCCc1ccccc1 14629205 XEKDWUDNWXTGHR-UHFFFAOYSA-N 261.752 3.934 0 40 CHAB Cc1cc(C(=O)NCc2ccccc2F)c2ccccc2n1 6790068 DGERMYOLUBBSED-UHFFFAOYSA-N 294.329 3.612 0 40 CHAB Cc1nc(N)sc1Cc1cc(Cl)ccc1Cl 5739592 KXIQUBUGTCVINX-UHFFFAOYSA-N 273.188 3.931 0 40 CHAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(F)cc1 63238074 HRQNCCDPRHYUIM-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB CC(C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6886869 JSVVUOSUJWQLTK-UHFFFAOYSA-N 282.315 3.683 0 40 CHAB O=C(CC1CCCC1)Nc1cccc2ncccc12 15980088 CUGPOBMPWAQUFI-UHFFFAOYSA-N 254.333 3.754 0 40 CHAB c1ccc(-c2nnc(COc3ccc4c(c3)CCC4)o2)cc1 7737728 NVCJKVVPUJMCMV-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB COCc1ccccc1NC(=O)NCCc1cccc(C)c1 69419589 ZVKMASMXMONKOQ-UHFFFAOYSA-N 298.386 3.506 0 40 CHAB O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1ccoc1 69527685 LYNUAYKPJVJSTJ-CYBMUJFWSA-N 297.276 3.632 0 40 CHAB CCOCCC1(CNC(=O)c2ccccc2Cl)CCC1 89986815 AKQMQFSUBQTAAI-UHFFFAOYSA-N 295.810 3.667 0 40 CHAB O=C(NCC1CCCC1)Nc1ccccc1Br 43132605 KVGSNOPJAUARQD-UHFFFAOYSA-N 297.196 3.761 0 40 CHAB Cc1ccc(SCCC(=O)NCCc2ccccc2)cc1 409111824 CYLDVASCPUJJSP-UHFFFAOYSA-N 299.439 3.836 0 40 CHAB CN1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72348551 ARBLLYOSWTUVJU-ZDUSSCGKSA-N 270.351 3.697 0 40 CHAB Clc1ccc(OCC[C@@H]2CCCNC2)c2ncccc12 42771402 RZMOMANRSIVTTM-LBPRGKRZSA-N 290.794 3.657 0 40 CHAB COCCn1c(COc2cccc(C)c2)nc2ccccc21 40234230 OEBKQAWOYMLXMK-UHFFFAOYSA-N 296.370 3.570 0 40 CHAB COc1cc(OC)c2ccccc2c1Br 85392582 ZRCQNHKGTVRXLV-UHFFFAOYSA-N 267.122 3.620 0 40 CHAB CS[C@@H](C)C(=O)Nc1ccc(COC2CCCC2)cc1 96416846 TYDKCHHWMKZBBZ-LBPRGKRZSA-N 293.432 3.836 0 40 CHAB CC(C)c1nnc(CN[C@@H](C)c2ccc(Cl)s2)n1C 97111496 UVCIRNSLYKMXIZ-VIFPVBQESA-N 298.843 3.504 0 40 CHAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(O)cc1 3069615 VXAOVZOZTWLVDB-BJMVGYQFSA-N 273.719 3.698 0 40 CHAB CN(Cc1ccccc1)Cc1cn(C)c2ccccc12 5337994 UBXIJBMEJNLIMK-UHFFFAOYSA-N 264.372 3.810 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)O)cc2C)c1 13391156 UAXLZNLFCIIVNZ-UHFFFAOYSA-N 283.327 3.562 0 40 CHAB Cc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 16211933 QBWSOONDISHYIE-GZBFAFLISA-N 274.433 3.778 0 40 CHAB O=C(NCCCc1ccccc1)Nc1ccc(F)cc1F 16478940 CSRMETVTMGMPCW-UHFFFAOYSA-N 290.313 3.719 0 40 CHAB c1ccc(C[C@@H]2NCCc3c2[nH]c2ccccc32)cc1 19848892 LHVNPTMRAQQPID-KRWDZBQOSA-N 262.356 3.597 0 40 CHAB biogenic Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1 8041189 XFUTYQJAMFEVSI-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CC(C)(C)OC(=O)NC1(Cc2ccc(Cl)nc2)CCC1 1857782819 FDMGABBPIANHBN-UHFFFAOYSA-N 296.798 3.725 0 40 CHAB CC(C)(C)CNCc1ccccc1Br 40492671 GPRSFRMPWCKJJN-UHFFFAOYSA-N 256.187 3.585 0 40 CHAB O=C(NCc1ccc(-n2cccc2)cc1)c1ccc(F)cc1 1426636 XRQRZBBDCWHFMQ-UHFFFAOYSA-N 294.329 3.546 0 40 CHAB O=C(c1ccc(F)c(F)c1)N1CCCC[C@H]1C(F)(F)F 225747806 BBNUPQOLFKIUKM-NSHDSACASA-N 293.235 3.522 0 40 CHAB CC(C)(C)OC(=O)N1CCc2c(cccc2C2CC2)C1 1250032595 AAWSDSCRIYMICN-UHFFFAOYSA-N 273.376 3.857 0 40 CHAB O=C(C1CCCCC1)N1CCC[C@H]1c1ccsc1 40107717 IFBNGNQKHPWTGA-AWEZNQCLSA-N 263.406 3.992 0 40 CHAB CC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C)c1 40097423 IDQFNZBFMPVDHR-NHYWBVRUSA-N 274.364 3.589 0 40 CHAB Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(C)c1 189191 HPWMMWVOMCSLFB-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB CC(C)COC(=O)c1cccc2c1-c1ccccc1C2=O 481686 SOXKCVNSQQWHKM-UHFFFAOYSA-N 280.323 3.711 0 40 CHAB CC[C@H](C)c1ccc(Nc2cc(C)nc3ncnn23)cc1 1368854 PIKBQUDSWCAPJT-NSHDSACASA-N 281.363 3.690 0 40 CHAB CCOC(=O)c1cc(C=O)nc2c(Cl)cc(Cl)cc12 1706671 SHELSBARVIQJQG-UHFFFAOYSA-N 298.125 3.531 0 40 CHAB CCCCCCOC(=O)C[C@@H]1C[C@H](C(C)=O)C1(C)C 1719000 OIAFJHAHYHANJZ-UONOGXRCSA-N 268.397 3.751 0 40 CHAB CC1(CC2(C)SCCS2)SCCS1 1719810 UFEDUSRDUHKQFT-UHFFFAOYSA-N 252.495 3.769 0 40 CHAB c1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1 3137648 KFUQPEGDHJHCSZ-UHFFFAOYSA-N 284.369 3.581 0 40 CHAB COc1ccc(NC(=O)c2cc(C)n(C)c2C)cc1Cl 8051888 UGPPUWASESSMDG-UHFFFAOYSA-N 292.766 3.556 0 40 CHAB O=C(OCc1cc(-c2ccccc2)on1)[C@H]1C[C@H]2CC[C@H]1C2 105129949 DTJHFPBBHMPHGK-NOLJZWGESA-N 297.354 3.821 0 40 CHAB Cc1cc2nc(-c3cccc(C(F)(F)F)c3)ccn2n1 1390677 UWMIQFMSVNYINL-UHFFFAOYSA-N 277.249 3.724 0 40 CHAB COCc1ccccc1CN[C@H](C)c1ccccc1 37762682 PKKYPJZXNGODEQ-CQSZACIVSA-N 255.361 3.684 0 40 CHAB c1coc(CN(Cc2cscn2)C2CCCC2)c1 48299689 XIJYAUFZRNXHJN-UHFFFAOYSA-N 262.378 3.681 0 40 CHAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)O 3342700 SQTBGJCIHOCSKY-UHFFFAOYSA-N 297.310 3.722 0 40 CHAB O=C(O)c1ccc(-c2ccc(CNCc3ccco3)o2)cc1 20875574 FIWLVIBFFFHEDS-UHFFFAOYSA-N 297.310 3.528 0 40 CHAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Cl)s1 12971636 JAYANGOXPBDDMD-FLIBITNWSA-N 289.743 3.746 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1C 13331886 JBRKSENUXDIZSA-ZDUSSCGKSA-N 269.348 3.581 0 40 CHAB COc1ccc(Cl)cc1[C@H](C)Nc1c(C)nn(C)c1C 97045691 RVLUQEARCHYDNG-VIFPVBQESA-N 293.798 3.872 0 40 CHAB c1ccc(CCSc2nnnn2C2CCCCC2)cc1 13858194 VJURFLAUCAGCEY-UHFFFAOYSA-N 288.420 3.513 0 40 CHAB COC(=O)c1cccc2c1N[C@@H]1C[C@H](C)CC[C@H]1C2(C)C 5336044 LEVRTGSAASAKJI-UXIGCNINSA-N 287.403 3.981 0 40 CHAB COc1ccccc1NC(=O)c1cccc(OCC(C)C)c1 5643741 MVOFIUSWKPLZKJ-UHFFFAOYSA-N 299.370 3.982 0 40 CHAB c1ccn2cc(CSc3ncnc4sccc34)nc2c1 9377881 JGDDMDLZHHSHMI-UHFFFAOYSA-N 298.396 3.631 0 40 CHAB O=C(NCc1ccco1)c1cc(C2CC2)nc2ccccc12 7910663 ALMQKLVXZYFDBT-UHFFFAOYSA-N 292.338 3.635 0 40 CHAB COc1cccc([C@H]2NCC[C@H]2c2ccccc2)c1 84238168 IJEGNJDSCQSXES-DLBZAZTESA-N 253.345 3.513 0 40 CHAB in-vitro CCCn1cc(NC(=O)Nc2cc3[nH]ccc3cc2C)cn1 97166049 QJVUYXJZQKIKOI-UHFFFAOYSA-N 297.362 3.727 0 40 CHAB FC(F)(F)Oc1ccc2[nH]cc(C3CCNCC3)c2c1 26894268 XPOVXMCBTDEPDT-UHFFFAOYSA-N 284.281 3.534 0 40 CHAB CC(C)n1cc(CC(=O)Nc2nccs2)c2ccccc21 72402864 JQZLYSJGWXPBMP-UHFFFAOYSA-N 299.399 3.860 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1C[C@@H](O)[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1CC2 118931499 CJPFOFKWQJELAW-KRYDYKSRSA-N 292.463 3.751 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)Nc1c(F)cccc1F 20455723 UKTFLBRMBBOUGJ-LLVKDONJSA-N 291.297 3.679 0 40 CHAB Cc1ccc(CNCCCc2nc3ccccc3[nH]2)cc1 62718634 DYRRWRHPIBOAAD-UHFFFAOYSA-N 279.387 3.594 0 40 CHAB CC[C@@H](Nc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C 72207613 ZMQWDSNVWJAVAT-TZMCWYRMSA-N 278.396 3.790 0 40 CHAB Cc1nc(SC2CCCCC2)ccc1[C@H](C)O 72224879 VVUFVOVXOFEXOY-NSHDSACASA-N 251.395 3.868 0 40 CHAB CCN1CCCC[C@@H]1c1cccnc1N1CCCCC1 72216118 LWUATPGLNROSFR-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB CC1CCN(c2cc(N)cc(C(F)(F)F)c2)CC1 228923701 BOJRJTMYCYDCHV-UHFFFAOYSA-N 258.287 3.524 0 40 CHAB CC(C)CN1CC[C@H](c2nc3ccccc3s2)C1 49168940 WEACMGOTGCTGQG-LBPRGKRZSA-N 260.406 3.742 0 40 CHAB biogenic,in-vitro CCOc1ccc(C(=O)NC(C)(C)C)cc1COC(C)C 224713056 XSYKYMWQTMBZNJ-UHFFFAOYSA-N 293.407 3.539 0 40 CHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCC2CCCCC2)c1 224611867 UYIYZASKZGSHMM-OAHLLOKOSA-N 289.419 3.767 0 40 CHAB COC(=O)c1cccc(C)c1-c1c(C)cccc1C(=O)OC 80351923 NOHJRMLZYSJAHN-UHFFFAOYSA-N 298.338 3.544 0 40 CHAB CCOC(=O)c1cc(NC(=O)C2CCCC2)ccc1Cl 225554774 ZXOZRBZNROTFIP-UHFFFAOYSA-N 295.766 3.645 0 40 CHAB Brc1ccc([C@@H]2C[C@@H]2Br)cc1 149281142 WTUXFTDVACRZOV-IUCAKERBSA-N 275.971 3.700 0 40 CHAB Fc1ccc(-c2ccc(Br)cn2)c(F)c1 90549664 PGLAAMSCAONZPL-UHFFFAOYSA-N 270.076 3.789 0 40 CHAB Cc1cc(C(=O)c2cc(F)c(F)cc2F)ccc1F 95917019 LXUJCKOXFTXEDO-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccnc(Cl)c1 78933912 VXQWCOKZQARMKH-AAEUAGOBSA-N 280.799 3.776 0 40 CHAB COc1ccc2cccc(C3(CN)CCCC3)c2c1 1614662664 CRMWUOYYNFSTEZ-UHFFFAOYSA-N 255.361 3.619 0 40 CHAB COC(=O)/C(=C\c1ccncc1)c1cccc2ccccc12 5085609 LTYREOPTZCDYRN-AQTBWJFISA-N 289.334 3.948 0 40 CHAB CCOP(=O)(OCC)Oc1ccc(Cl)cc1 5650786 LBGVKIMCKGXEEF-UHFFFAOYSA-N 264.645 3.900 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC)cc1 14022414 OHGDZPVCAPFVDP-QGZVFWFLSA-N 299.370 3.800 0 40 CHAB Cc1cc2cc(NC(=O)C[C@H](C)n3ccnc3)ccc2o1 19126509 YYLNPZBHNAEKJR-NSHDSACASA-N 283.331 3.528 0 40 CHAB Cc1nc(CSc2nccc(C(F)(F)F)n2)cs1 36398269 JFGHULIYCWCHOA-UHFFFAOYSA-N 291.323 3.553 0 40 CHAB Cc1cccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 9455702 PDTRREDQCZKDRD-UHFFFAOYSA-N 294.354 3.596 0 40 CHAB CC[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccccc1 51627864 FXOWISHSEMUZRB-IAGOWNOFSA-N 273.351 3.600 0 40 CHAB O=C(Nc1ccccn1)C1(c2cccs2)CCCCC1 12069678 CAHGKKPLOXOMQQ-UHFFFAOYSA-N 286.400 3.984 0 40 CHAB CCOc1ccccc1NC(=O)Cc1ccc(C)c(OC)c1 10412609 UUTMSFQBWYMHQX-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB Cc1ccc(C)c(NC(=O)N[C@@H](C)c2ccncc2)c1 40525206 IFMXSXZXUZEZME-ZDUSSCGKSA-N 269.348 3.581 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)O[C@H](C)C1 40526118 CIHORNHWHVMWPW-ZIAGYGMSSA-N 290.407 3.760 0 40 CHAB O=C(Nc1cccc2c1CCCC2)OCC(F)(F)F 32628806 IJNNYPAZMILNBP-UHFFFAOYSA-N 273.254 3.676 0 40 CHAB in-vitro COc1cc(C)ccc1C1=CS/C(=C2\C=CC=CC2=N)N1 102615593 ZVZZPKXQQVBXIT-PETPDGBFSA-N 296.395 3.996 0 40 CHAB Cc1ccccc1S(=O)(=O)Nc1ccccc1C(C)C 383759 QXRMGEDTISTVNC-UHFFFAOYSA-N 289.400 3.919 0 40 CHAB CC[C@@H](C)N1C(=O)N(c2ccccc2)[C@@](C)(O)CC1(C)C 491451 SVKHWMUHEZPJOS-DYVFJYSZSA-N 290.407 3.604 0 40 CHAB C[n+]1cccc([C@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@@H]32)c1 1321760 RSUINDYISXUKNH-CADBVGFASA-N 284.423 3.868 0 40 CHAB COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2C)cc1 1611834 CRXXSGLBECOUQH-GOSISDBHSA-N 271.404 3.812 0 40 CHAB CN(C)CC[C@]1(c2ccccc2)C=Cc2ccccc21 1678256 KAQPNQMPHIRKJJ-IBGZPJMESA-N 263.384 3.951 0 40 CHAB in-man CCCCCCSc1nsc(NC(=O)CCC)n1 2070294 HBVYNGHLZZKYPT-UHFFFAOYSA-N 287.454 3.949 0 40 CHAB CCOC(=O)CCCCC(=O)c1cccc(Cl)c1 2378912 LPIASWVNXAXCOS-UHFFFAOYSA-N 268.740 3.646 0 40 CHAB CCCCOC(=O)CCn1c(=S)oc2ccccc21 3068448 LIOQOOMBIHJXGS-UHFFFAOYSA-N 279.361 3.697 0 40 CHAB Cc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1 4143461 RMKANCNWILVNFS-UHFFFAOYSA-N 296.395 3.777 0 40 CHAB Cc1c(C(=O)NC(C)C)oc2ccc(Br)cc12 5392351 IDZHVMKZZJRDLQ-UHFFFAOYSA-N 296.164 3.642 0 40 CHAB Cc1ccc(C)c(-c2csc(NC(=O)C3CC3)n2)c1 5615862 UWXHCNZNOIKVGM-UHFFFAOYSA-N 272.373 3.775 0 40 CHAB O=C(Nc1cccc2ccccc12)[C@H]1C[C@@H]2C=C[C@H]1C2 6476740 RURBIKBEHAPQDM-INWMFGNUSA-N 263.340 3.991 0 40 CHAB O=C(N[C@H](c1ccccc1)c1cccs1)C1CCC1 7738910 NRWIFZRIRVTRQE-OAHLLOKOSA-N 271.385 3.754 0 40 CHAB c1nc(Nc2ccc3c(c2)OCCCO3)c2ccsc2n1 7973904 ANAHJPWAOWDGER-UHFFFAOYSA-N 299.355 3.596 0 40 CHAB C[C@H]1CCCN(C(=O)c2ccc3c4c(cccc24)CC3)C1 8748873 TTYGZUMXRVLEQN-ZDUSSCGKSA-N 279.383 3.811 0 40 CHAB C[C@@H](NC(=O)c1ccc[nH]c1=S)c1cccc(Cl)c1 10109332 JJRHAIWRFQKQLK-SECBINFHSA-N 292.791 3.889 0 40 CHAB O=C(NCCCc1ccccc1Cl)c1ccccc1 10542267 UNCFECYHIFDCRH-UHFFFAOYSA-N 273.763 3.703 0 40 CHAB Clc1ccc(-c2nnn(C/C=C/c3ccccc3)n2)cc1 11531440 KHHMTEWUNACGHV-QPJJXVBHSA-N 296.761 3.707 0 40 CHAB C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccco1 12534129 WEPBYCVQPOFBEK-ZDUSSCGKSA-N 280.327 3.561 0 40 CHAB Clc1ccc(OCC[C@H]2CCCCN2)c(Cl)c1 20221546 VDPGIJCPCJINPJ-LLVKDONJSA-N 274.191 3.904 0 40 CHAB in-vitro Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCC3)cc1 20367313 PVYYQBFMZQASCT-UHFFFAOYSA-N 280.371 3.805 0 40 CHAB CCc1cc(C(=O)Nc2cc(F)ccc2F)cs1 20607058 NEYWUQXUIXULKC-UHFFFAOYSA-N 267.300 3.841 0 40 CHAB Cc1nn(-c2ccc(F)cc2)c(N)c1-c1ccccc1 20636393 NZUSWBIGXCCKBA-UHFFFAOYSA-N 267.307 3.569 0 40 CHAB Nc1onc(-c2ccccc2)c1-c1ccc(F)cc1 26512447 YBVBCRBIGNJLSQ-UHFFFAOYSA-N 254.264 3.730 0 40 CHAB O=C(Nc1ccccn1)c1cc2c(s1)CCCCC2 27653660 JRALFXFCTWWALI-UHFFFAOYSA-N 272.373 3.664 0 40 CHAB Cc1cc2cc(NC(=O)c3ccoc3C)ccc2[nH]1 32818545 ZULDVMGBGCWHOP-UHFFFAOYSA-N 254.289 3.630 0 40 CHAB CC(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 42091777 NGFOWIHIQSBMSP-LBPRGKRZSA-N 297.358 3.528 0 40 CHAB O=C(NCc1ccccc1)Nc1ccccc1N1CCCC1 43486113 WQFYMEJPIKGJEZ-UHFFFAOYSA-N 295.386 3.609 0 40 CHAB CC(C)Cc1nc(CN(C)[C@@H](C)c2ccc(F)cc2)no1 45914663 RQUSYFAFEISEPG-LBPRGKRZSA-N 291.370 3.600 0 40 CHAB Clc1cccc(-c2nc3cc(-n4cnnc4)ccc3o2)c1 45920383 AEKSSUJPDYXDBJ-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB C[C@@H]1CCCN(Cc2cc(-c3cccs3)on2)C1 48374200 WYSKBNRMMKGVDI-LLVKDONJSA-N 262.378 3.635 0 40 CHAB O=C(O)/C(=C/c1ccccc1)Sc1nc2ccccc2[nH]1 50547765 NRSKWNAUTBVYKC-UVTDQMKNSA-N 296.351 3.781 0 40 CHAB CNc1cc(C(=O)N(C)C2CCCCCC2)cc(Cl)n1 50769162 HQTAGFARTWYHKW-UHFFFAOYSA-N 295.814 3.572 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccncc1 57561391 SAYXSRMYGLFRLJ-HNNXBMFYSA-N 286.762 3.712 0 40 CHAB Cc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1F 61838024 MTDXIHZTOHYAJK-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB O=C(c1cccc(F)c1)c1ccc(F)cc1Cl 61845563 LHGYGNVXAAPODQ-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB Cc1cc(CNC(=O)Nc2ccc3sccc3c2)on1 69568366 WSSKONNIVMWTIL-UHFFFAOYSA-N 287.344 3.519 0 40 CHAB CSc1cccc([C@@H](N)c2cc(F)ccc2F)c1 71790394 AVGQIDXHXCYGQX-CQSZACIVSA-N 265.328 3.735 0 40 CHAB CSc1cccc([C@@H](N)c2ccc(F)cc2F)c1 71790725 KOFHSJIHJGOATP-CQSZACIVSA-N 265.328 3.735 0 40 CHAB C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc2[nH]ccc2c1 71803325 AFBHWUGDUTYGFB-GFCCVEGCSA-N 294.358 3.788 0 40 CHAB CCc1ccc2nc(NC(=O)N3CCC3(C)C)sc2c1 72305907 TZVGQVRUODYPEF-UHFFFAOYSA-N 289.404 3.875 0 40 CHAB COc1ccc(-c2cc(Cl)nc(SC)n2)cc1 76536040 IZFLIFKOZUTKKW-UHFFFAOYSA-N 266.753 3.528 0 40 CHAB O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccccc1 79693036 NNHKOEKHNFCABQ-UHFFFAOYSA-N 278.311 3.958 0 40 CHAB Cc1nc2ccc(N(C)C(=O)c3ccccc3Cl)cc2[nH]1 82351794 IDWWIWGCAQHIMS-UHFFFAOYSA-N 299.761 3.801 0 40 CHAB Cc1cc(C(F)(F)F)cc(-c2ccc(C(=O)O)cc2)n1 91695638 ZOMVTKHGOUZLST-UHFFFAOYSA-N 281.233 3.774 0 40 CHAB FC(F)(F)c1cc(Br)ncc1Cl 95763746 LUCNBTHJRJGMTJ-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB in-vitro CCc1cc(N(C)[C@@H](C)C(C)C)nc(-c2ccncc2)n1 95959038 PNSBBXAUWYTPGR-ZDUSSCGKSA-N 284.407 3.582 0 40 CHAB CC[C@@H](N[C@H](C)c1nnc(C)o1)c1ccc(Cl)cc1 95984393 WJZNOUVNHVWRKE-NOZJJQNGSA-N 279.771 3.833 0 40 CHAB Nc1cc(C(F)(F)F)cn2cc(-c3ccccc3)nc12 96510233 NEMCSYBDQCPOTL-UHFFFAOYSA-N 277.249 3.602 0 40 CHAB CC(=O)OC[C@]12COC(=C(C)C)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 100743134 XPUXDIZNNJHBTE-YXPYIKCWSA-N 278.392 3.708 0 40 CHAB C/N=c1/scc(-c2cc(C)n(CCC(C)C)c2C)n1C 105777234 YGNJGTBCVWGURJ-WUKNDPDISA-N 291.464 3.749 0 40 CHAB C[C@H](NCC[C@@H](C)[S@](C)=O)c1cc2ccccc2s1 126700879 GDCSINLGACWXJI-UYSIFFEZSA-N 295.473 3.709 0 40 CHAB C[C@H](NCc1csc([C@@H]2CCCO2)n1)c1ccccc1 181360195 QYGZJYLBWIKXPZ-WFASDCNBSA-N 288.416 3.845 0 40 CHAB CC(C)CSc1nnc(NC(=O)c2cccs2)s1 222656227 DGWACBZIBXBBOZ-UHFFFAOYSA-N 299.446 3.600 0 40 CHAB Cc1ccc(CCC(=O)NCCCc2ccccc2)cc1C 223458476 MMBLKZGMASKKQW-UHFFFAOYSA-N 295.426 3.985 0 40 CHAB CCNCc1c(C)n(C(C)C)c2ccc(OC)cc12 223761938 BIGCSMOSPMZZKX-UHFFFAOYSA-N 260.381 3.649 0 40 CHAB COC(=O)[C@H](C)N1c2cc(Cl)ccc2C(C)=CC1(C)C 223825757 IVKGMIODCBKYEC-NSHDSACASA-N 293.794 3.903 0 40 CHAB Cc1ccccc1O[C@H](Cc1c(C)cccc1C)C(=O)O 225030387 YBAJSWNDVKMVKR-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CC(=O)Nc1ncc(C)cc1SCc1ccccc1 255188936 MRGNXGDFDZYCNF-UHFFFAOYSA-N 272.373 3.641 0 40 CHAB CSc1ccccc1C(=O)NCc1cncc(C2CC2)c1 575605961 DPXKRNAWTANCTO-UHFFFAOYSA-N 298.411 3.611 0 40 CHAB Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)no2)cc1 11916437 GQFDQXIZEOROCF-UHFFFAOYSA-N 292.338 3.927 0 40 CHAB Cc1ccc(C)c(C(=O)NCc2ccccc2Cl)c1 514731 FDWUDKNFVUAOBN-UHFFFAOYSA-N 273.763 3.887 0 40 CHAB CC1=C[C@@H](C)[C@@H]2CO[C@H](c3ccc(O)cc3)[C@H]1[C@@H]2C 518664 UVEZFZYRAYSXIF-PEFOCPCJSA-N 258.361 3.928 0 40 CHAB Cc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1 577996 TWUMKUJLGKXFLA-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CCC(=O)Oc1ccccc1NC(=O)CCc1ccccc1 1561591 CENCEYMXVINIDE-UHFFFAOYSA-N 297.354 3.573 0 40 CHAB CC(C)(C)N(C(=O)c1ccccc1)C(=O)c1ccccc1 1723189 VIGUAFPVADYCDR-UHFFFAOYSA-N 281.355 3.768 0 40 CHAB CCS[C@@H]1CC[C@H](N(C)Cc2csc(C)n2)C1 78947879 SPHOTXIWNLCTLH-QWHCGFSZSA-N 270.467 3.558 0 40 CHAB COc1ccc([C@H]2C[C@@H]3C[C@H](c4ccccc4)N2O3)cc1 4375792 HMVKUDOMJCCSHK-RCCFBDPRSA-N 281.355 3.887 0 40 CHAB COc1ccc(C2=Nc3ccccc3SC2)cc1 6745437 LKAHIFRKFWYUFW-UHFFFAOYSA-N 255.342 3.922 0 40 CHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 8558613 ZVZJTJSBVDBWMD-CQSZACIVSA-N 299.370 3.718 0 40 CHAB CCc1ccc(-n2c(SC)nnc2-c2ccncc2)cc1 3284065 TUIAEVWKUWUZNV-UHFFFAOYSA-N 296.399 3.614 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(F)cc1F 3221357 GZLBFVHEQVUVCA-LBPRGKRZSA-N 289.325 3.716 0 40 CHAB O=C(Nc1cccnc1Oc1ccccc1)NC1CCCC1 58158158 ISKAWSNGHVYCIP-UHFFFAOYSA-N 297.358 3.938 0 40 CHAB CC(C)(C)CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 3633906 UHMUDJSWZCHKKM-UHFFFAOYSA-N 294.420 3.673 0 40 CHAB CN(C)c1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1 8991760 OPVBVPLVVIUKKL-UHFFFAOYSA-N 295.386 3.561 0 40 CHAB CCCCOc1cccc(N[C@H](C)c2nnc(C)o2)c1 71902566 RLYLRRCLSJYWRZ-LLVKDONJSA-N 275.352 3.730 0 40 CHAB CC(C)(Oc1ccccc1)C(=O)Nc1ccc(F)cc1 13325598 HKCLBZSHEUBHAC-UHFFFAOYSA-N 273.307 3.622 0 40 CHAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1c1cccs1 49376028 DIFYOUUJGQEUKL-JHJVBQTASA-N 287.384 3.808 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1F 39994013 YRAGXTLLZSTBDD-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB CSc1nc(S)c2sc3c(c2n1)COC(C)(C)C3 6754876 HSTXGERGTMGSBU-UHFFFAOYSA-N 298.458 3.553 0 40 CHAB Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1 5905983 FIDZHWGHYSFPCS-UHFFFAOYSA-N 292.367 3.704 0 40 CHAB CC(C)CCOc1ccc(C(=O)Nc2cccc(N)c2)cc1 19736028 IEJYXPYGDNADQX-UHFFFAOYSA-N 298.386 3.946 0 40 CHAB Cc1ccc(-c2csc(Nc3ncccn3)n2)c(C)c1 67321690 SXOYJYFSSYXYHI-UHFFFAOYSA-N 282.372 3.961 0 40 CHAB COc1ccc(C)cc1NC(=O)c1c(C)noc1C(C)C 7277927 DPRZGDRBTKQVLZ-UHFFFAOYSA-N 288.347 3.676 0 40 CHAB CCCCN(C[C@H]1CCCN(C)C1)c1ccccc1 408732815 ZPMQESNNSUUNBC-INIZCTEOSA-N 260.425 3.635 0 40 CHAB COCc1cccc(C(=O)Nc2cc(C)cc(C)c2)c1 8130981 SFSJCUIJWHECAE-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB O=C(CC1=CCCCC1)N1CCC[C@@H]1c1ccncc1 84615114 FFAIAOCJYRYHAC-MRXNPFEDSA-N 270.376 3.636 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CC=C(c2ccccc2)C1 95464354 RXJDALMMLFDDMR-UHFFFAOYSA-N 282.318 3.757 0 40 CHAB O=C(Nc1cccnc1Cl)c1cccc(-n2cccc2)c1 73474497 AKILYJPRTZDERC-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)CC[C@H](N)c1ccccc1 95947918 JXJUDOWNFXSLKZ-YJBOKZPZSA-N 296.414 3.686 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)N(C)Cc1ccccc1 31850868 OUUUABYWIGXGOY-AWEZNQCLSA-N 285.412 3.826 0 40 CHAB CC[C@@H](O)c1ccc(N2CCc3ccccc32)nc1C 72224988 ACGHYFFLYRNEAF-MRXNPFEDSA-N 268.360 3.528 0 40 CHAB CN(c1ccccc1)c1ncccc1[C@H]1CCCN1C 72214243 VXEMHZBBJRHJPE-MRXNPFEDSA-N 267.376 3.616 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)CCc1ccc(F)cc1 37111762 LPAJCNAMZHAPOW-CQSZACIVSA-N 285.362 3.944 0 40 CHAB CCC(=O)[C@@H]1CCCCN1C(=O)c1oc2ccccc2c1C 185822951 LZAMLPJSPDCWCR-AWEZNQCLSA-N 299.370 3.715 0 40 CHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)cc1 225733196 BOWBLPLOZGMGMR-QGZVFWFLSA-N 293.407 3.865 0 40 CHAB CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCc2ccccc21 40049949 PNJNVNABSXZDAF-QGZVFWFLSA-N 283.346 3.514 0 40 CHAB NC(=O)/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 226257978 YDLVFRLLFURQSR-ZZXKWVIFSA-N 282.126 3.752 0 40 CHAB Cc1ccc(NC(=S)NCCSC(C)(C)C)cc1 225349794 PCSCACNVIOOGOB-UHFFFAOYSA-N 282.478 3.813 0 40 CHAB Fc1ccc(NC(=S)NCc2ccccc2F)cc1F 225835677 RYFMARXLNVHFCT-UHFFFAOYSA-N 296.317 3.591 0 40 CHAB N[C@H]1CC2(CCC2)Sc2ccc(Br)cc21 238676071 CXLCGKFFFCRONQ-JTQLQIEISA-N 284.222 3.867 0 40 CHAB COC(=O)CN1c2cc(Cl)ccc2[C@H](C)CC1(C)C 260716911 GYNCDEAYTBFWEI-SNVBAGLBSA-N 281.783 3.605 0 40 CHAB O=C(c1ccc(Cl)cc1)c1cc(F)c(F)cc1F 95916624 KYSINCWQANSZPW-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB CCOCCCCNC(=O)Nc1cc(Cl)ccc1C 47346885 XQLONDHPXYIGMS-UHFFFAOYSA-N 284.787 3.587 0 40 CHAB CCO[C@@H](C)c1nc(CN(C)c2cccc(C)n2)cs1 97096470 ZNAJHVHXUFYMKK-LBPRGKRZSA-N 291.420 3.580 0 40 CHAB CCCc1nc(C)c(C(=O)N2CCc3ccccc32)s1 40092916 WKUMAIMOEUUSAZ-UHFFFAOYSA-N 286.400 3.607 0 40 CHAB Cc1ccc(N2Cc3cc(Cl)ccc3OCC2=O)cc1 13362917 KJXAPQURVOLXQB-UHFFFAOYSA-N 287.746 3.574 0 40 CHAB CCN(CC)C[C@H](OC(=O)c1ccccc1)c1ccccc1 2013575 AVXDZNOJIVOGRR-SFHVURJKSA-N 297.398 3.927 0 40 CHAB in-man O=C(c1ccsc1)N1CC=C(c2ccccc2)CC1 129869 FZJOSMRDGJRKEJ-UHFFFAOYSA-N 269.369 3.678 0 40 CHAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1F 12809364 NNXOELVSDKWZIA-CMPLNLGQSA-N 289.272 3.677 0 40 CHAB Cc1cc([C@H](O)CCNc2nc3ccccc3o2)c(C)o1 1775970380 KVVHGHQGNOSJAB-CQSZACIVSA-N 286.331 3.573 0 40 CHAB COc1ccc([C@H](NCc2cccc(O)c2)C2CC2)cc1 73053011 NSHGQAZBDXWKSZ-GOSISDBHSA-N 283.371 3.642 0 40 CHAB CCN(Cc1ccccc1C)Cc1nnsc1Cl 40088705 SRXGAAMNRYKCPC-UHFFFAOYSA-N 281.812 3.522 0 40 CHAB COc1ccc(C(=O)NC2CCCCCCC2)cc1 326666 DDQCTSORRKFXOQ-UHFFFAOYSA-N 261.365 3.538 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc[nH]1 32787319 PXGCMOYLZDGYCL-JTQLQIEISA-N 262.740 3.501 0 40 CHAB Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 21792570 ANGWGZLLJSBSHH-UHFFFAOYSA-N 295.264 3.932 0 40 CHAB in-vitro Cc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 142688 BIRINDHIVGCKSL-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1C 338217 AAZUHFASGMBVSG-UHFFFAOYSA-N 296.322 3.786 0 40 CHAB biogenic,in-vitro CC1(C)Cc2ccccc2C(COc2ccccc2)=N1 379056 PZHWFVVHQPHTFC-UHFFFAOYSA-N 265.356 3.889 0 40 CHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCC)c1 362337 LODXISURGPYVMD-UHFFFAOYSA-N 282.771 3.817 0 40 CHAB C[C@@H]1CCc2onc(C(=O)Nc3cccc(Cl)c3)c2C1 426589 KIMNKEPYXBKUAD-SECBINFHSA-N 290.750 3.705 0 40 CHAB CC[C@@H](C)Oc1cccc(N[C@@H](C)c2cnccn2)c1 70479608 LVFJGCRYNIVULP-OLZOCXBDSA-N 271.364 3.827 0 40 CHAB O=C(N1CCCCC1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100502544 SKTXCVZIJGIVLT-VRLRAXNCSA-N 281.827 3.577 0 40 CHAB COc1ccccc1NC(=O)C1(c2ccccc2)CCC1 10030438 KPAIBPKFJKYSDN-UHFFFAOYSA-N 281.355 3.756 0 40 CHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC2CCCCC2)c1 20488831 WZRSRCSJJFYTOI-OAHLLOKOSA-N 289.419 3.828 0 40 CHAB c1ccc(Cn2ccnc2)c(CNC2CCCCCC2)c1 58202436 NICUBXXARMZVKO-UHFFFAOYSA-N 283.419 3.744 0 40 CHAB O=C(c1ccc(Cl)nc1)c1ccccc1Cl 45038714 SQSYIAYULMJWAD-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB Cc1cccc(N(C)Cc2ccc(-n3ccnc3)nc2)c1C 72312062 RQWQGGRWGRVZLS-UHFFFAOYSA-N 292.386 3.521 0 40 CHAB Cc1cccc(NC(=O)Nc2ccnn2C2CCCC2)c1 28247690 PZWLMDZQIVAHRC-UHFFFAOYSA-N 284.363 3.951 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1OC 20037051 OSXARYKWWHMLSM-OAHLLOKOSA-N 299.370 3.800 0 40 CHAB CCOc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 12870959 CYHIDTQDCJJJNU-QGZVFWFLSA-N 281.355 3.503 0 40 CHAB CCc1noc(C)c1C(=O)N[C@@H](C)c1cc(C)sc1C 46240498 JANNAXXGZRERHU-VIFPVBQESA-N 292.404 3.715 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1Cc1ccccc1 3430445 OSRMXWWRQQNAAP-CZUORRHYSA-N 265.356 3.872 0 40 CHAB CC(C)(C)c1ccc(NC(=O)c2ccccn2)cc1 3451704 RHTOODIBKUEUNA-UHFFFAOYSA-N 254.333 3.631 0 40 CHAB N=C(N)Sc1cn(Cc2ccc(F)cc2)c2ccccc12 3866082 PDOMEDGRLWFILG-UHFFFAOYSA-N 299.374 3.814 0 40 CHAB COc1ccc(Cl)c(NC(=O)NCc2cccs2)c1 49134041 ADXPLLFGHXBRBN-UHFFFAOYSA-N 296.779 3.732 0 40 CHAB O=C1CCCCCCCCCC[C@@H](O)CCCO1 4082260 FDGKLOJAQCXSKC-CQSZACIVSA-N 256.386 3.585 0 40 CHAB biogenic CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)CCC3)c1C 6078797 JNQFLKWUKRSDBE-UHFFFAOYSA-N 296.370 3.575 0 40 CHAB CCCCCNC(=S)Nc1ccccc1CC 13818886 KPQHDSWELBBRJR-UHFFFAOYSA-N 250.411 3.726 0 40 CHAB O=C(CCC1CCCC1)N1CCC[C@@H](C(F)(F)F)C1 65491102 OJGGBPJQUQIRDK-GFCCVEGCSA-N 277.330 3.758 0 40 CHAB Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2C)c(C)c1 14202388 GKSHXABQFGNHSQ-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB CCOC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 7069564 IHYLEHUEZXSQBL-UHFFFAOYSA-N 284.315 3.507 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cccc(OC)c1OC 9364034 ACLXITQXYYRYLG-UHFFFAOYSA-N 299.370 3.827 0 40 CHAB Cc1ccc(CN(Cc2ccc(C)o2)C[C@@H]2CCCO2)o1 9846073 QEVODIKEPXXLPC-HNNXBMFYSA-N 289.375 3.671 0 40 CHAB CC[C@@](C)(NC(=O)Nc1ccc(OC)nc1)c1ccccc1 72271494 TVUAMGLGQNTEAK-QGZVFWFLSA-N 299.374 3.537 0 40 CHAB CCc1cc2c(N[C@H](C)c3ncc(C)o3)ncnc2s1 95994851 GFALGPPQRWNGHT-SECBINFHSA-N 288.376 3.723 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCC[C@H](C)C1 216383508 NDTGMNCLUPAFNB-GUYCJALGSA-N 289.419 3.719 0 40 CHAB COc1ccc(-c2cn3nc(C(C)C)sc3n2)cc1 28539996 CQYNHWODUXPSJT-UHFFFAOYSA-N 273.361 3.590 0 40 CHAB O=C(O)c1c(Cl)n(-c2ccccc2)c2ccccc12 1104928 FWZUBSMPPRSUSD-UHFFFAOYSA-N 271.703 3.982 0 40 CHAB biogenic CN(Cc1ccccc1)C[C@@H](O)c1ccccc1Cl 31912055 YZHZTOJXJQQTES-MRXNPFEDSA-N 275.779 3.505 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 30752470 SPTSJUMQZJFJJL-GJZGRUSLSA-N 295.382 3.740 0 40 CHAB CC(C)c1c(C(=O)O)noc1-c1ccc(Cl)cc1 72220497 BQYATLLRKCKOIW-UHFFFAOYSA-N 265.696 3.817 0 40 CHAB Cc1cc(CNC(=O)/C=C/c2ccccc2Cl)c(C)o1 70640377 ZKJGQAQJPIBBEL-BQYQJAHWSA-N 289.762 3.879 0 40 CHAB COc1ccc(NC(=S)Nc2cccc(C)c2)cc1F 44194839 SHHABKAJVFINMQ-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB Cc1ccc(NC(=S)N[C@H](C)c2ccccc2C)nc1 225755162 WKKLBECHQCKSSP-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB COC(=O)c1ccc(-c2ccc(C)cc2Br)o1 49896433 KIDDVVQDDDWEMD-UHFFFAOYSA-N 295.132 3.804 0 40 CHAB Cc1ccc2nc(-c3ccc(CN)cc3)sc2c1 45923359 ZOTSXVVZSWUPJY-UHFFFAOYSA-N 254.358 3.730 0 40 CHAB CCOC(OCC)c1cccc(O[C@H]2CCCCO2)c1 43503338 IJFWEFAZIAHNBS-HNNXBMFYSA-N 280.364 3.664 0 40 CHAB CC[C@@H](NC(=O)c1cccnc1)c1ccc2c(c1)CCCC2 223141988 PRQSRKLFTLLVKT-GOSISDBHSA-N 294.398 3.842 0 40 CHAB OCc1cccc(Oc2cccc(C(F)(F)F)c2)c1 44198487 FNYBLZGGXGANDB-UHFFFAOYSA-N 268.234 3.990 0 40 CHAB CC[n+]1cccc(-c2nc3c(C)cccc3s2)c1 226776625 BWLRMELYTFAVJC-UHFFFAOYSA-N 255.366 3.579 0 40 CHAB O=C(c1ccc(OC(F)(F)F)cc1)C(F)(F)Cl 78592172 GTXBNGSCGAEEPL-UHFFFAOYSA-N 274.572 3.600 0 40 CHAB CO[C@@H](C)c1nc(-c2ccc(NC(C)=O)cc2F)cs1 96455539 ZHMATYWEIDWCHQ-QMMMGPOBSA-N 294.351 3.615 0 40 CHAB O=C(c1cccc(OCc2cccc(F)c2)c1)C(F)F 575242847 PBWKJGBLKBTJSO-UHFFFAOYSA-N 280.245 3.853 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](N)CC(C)(C)O2 91690748 ZEPDWGAJKLOGKJ-GFCCVEGCSA-N 292.379 3.595 0 40 CHAB in-vitro CC[C@@H](C)NC(=O)c1cc(Br)ccc1Cl 37974762 RVLZWSWDZXQZDC-SSDOTTSWSA-N 290.588 3.631 0 40 CHAB CC(C)C[C@@H](N)C1(c2ccc(F)cc2F)CCC1 1772714998 XRTDGRVFTGKMBN-CQSZACIVSA-N 253.336 3.760 0 40 CHAB Cc1ccc(C(=O)NCCSc2ccccc2)cc1 15136539 GGLPVWNHSHZZSW-UHFFFAOYSA-N 271.385 3.517 0 40 CHAB CC(=O)Nc1ccccc1-c1nc(-c2cccc(C)c2)no1 15671096 RTXSQCPWEPUQNB-UHFFFAOYSA-N 293.326 3.670 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1N 19509385 POMAHXRYZQDHKJ-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB Clc1cccc(Cl)c1Cn1nnc2ccccc21 264932 SQPKESMBCPOCIX-UHFFFAOYSA-N 278.142 3.786 0 40 CHAB CCc1nc2ccccc2n1Cc1ccc(C)cc1 1473041 CMMMDJSMZHWEII-UHFFFAOYSA-N 250.345 3.955 0 40 CHAB C[C@H](Nc1cccc2[nH]ncc12)c1ccccc1F 37783792 MGAJQZOACDQCOY-JTQLQIEISA-N 255.296 3.875 0 40 CHAB c1c[nH]c([C@H]2CCCN2Cc2nc3ccccc3s2)c1 58356792 LRLPCOLXQSYJOW-CQSZACIVSA-N 283.400 3.962 0 40 CHAB CCOC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 238854730 OYABCOBBYGRJIB-UHFFFAOYSA-N 285.221 3.537 0 40 CHAB in-vitro CC(=O)OC(C)(C)C(=O)c1ccccc1-c1ccccc1 575357845 WBQMUJXPUXYEDI-UHFFFAOYSA-N 282.339 3.878 0 40 CHAB Cc1ccc(-n2ncc3c(C(C)C)n[nH]c(=S)c32)cc1 618255086 VRTDKIXYXOXCHH-UHFFFAOYSA-N 284.388 3.910 0 40 CHAB CCOc1ccccc1C(=O)Nc1cccc(Cl)c1 128631 YSPPVRAGVJQTAE-UHFFFAOYSA-N 275.735 3.991 0 40 CHAB CN(C(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 32925330 ZAMWVOHBPWWSGD-GJZGRUSLSA-N 272.392 3.755 0 40 CHAB Cc1ccc(SCc2cn3ccccc3n2)cc1 499561 OHGUYWPHYZYOPF-UHFFFAOYSA-N 254.358 3.935 0 40 CHAB CCOCc1ccc(CP(=O)(OCC)OCC)o1 1877082 VCMKDTBCKXIFEZ-UHFFFAOYSA-N 276.269 3.582 0 40 CHAB CC(=O)NC[C@@H]1Cc2ccccc2Sc2ccccc21 2193123 LMJIXMAUKHYANX-AWEZNQCLSA-N 283.396 3.614 0 40 CHAB Cc1ccc(OCc2ccc(C(=O)O)cc2)c(C)c1 2534248 BBTKLRFROISVMD-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB C1=Nc2ccccc2NC=C1c1nc2ccccc2o1 3155206 MUJGTRNZRDPJGJ-UHFFFAOYSA-N 261.284 3.997 0 40 CHAB CCN(C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 3192147 IKVWIQODGGKHLW-UHFFFAOYSA-N 298.342 3.516 0 40 CHAB C[C@H]1CC[C@H]2[C@@H](C1)Nc1c(C(=O)O)cccc1C2(C)C 3999997 AXJHPUBYXHXNHC-VHRBIJSZSA-N 273.376 3.893 0 40 CHAB CCCCC(=O)Oc1ccc(O)c(C(C)(C)C)c1 4659262 KQTFAYNEKWHQGE-UHFFFAOYSA-N 250.338 3.785 0 40 CHAB CC(C)(C)c1ccccc1-c1ccccc1S(=O)(=O)O 4718848 FAXUTQJWJDOGDJ-UHFFFAOYSA-N 290.384 3.898 0 40 CHAB O=Cc1cc(Br)cc(Cc2ccccc2)c1O 5603723 UTLQIARDVUHWQS-UHFFFAOYSA-N 291.144 3.558 0 40 CHAB CNCc1ccc(OCc2ccccc2Cl)cc1 5910028 FPMCYUPTMHEODI-UHFFFAOYSA-N 261.752 3.638 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)s1 6767534 AEKWAFHUSCPECD-UHFFFAOYSA-N 280.780 3.974 0 40 CHAB C[C@H](NC(=O)Cc1ccccc1F)c1cccc(Cl)c1 7597662 JHTQZUXFLGSMSJ-NSHDSACASA-N 291.753 3.899 0 40 CHAB O=C(O)c1cccnc1Oc1ccc2ccccc2c1 8729659 WEXKFXKELNJUBD-UHFFFAOYSA-N 265.268 3.725 0 40 CHAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccn1 9607504 FUFFJOPIDWRSBC-AWEZNQCLSA-N 290.366 3.655 0 40 CHAB O=C(NCCc1ccco1)c1cc(Cl)sc1Cl 10275939 GJLWFJNWNQVCAN-UHFFFAOYSA-N 290.171 3.620 0 40 CHAB COc1ccc(C(=O)Nc2cccc3cccnc23)cc1F 10913050 ATCHKJFVIKUGNA-UHFFFAOYSA-N 296.301 3.635 0 40 CHAB CCCCCCC(=O)Nc1cc(C(=O)O)ccc1C 12030653 JXIOHIPEIQGKFB-UHFFFAOYSA-N 263.337 3.602 0 40 CHAB O=C(Nc1ccc(F)cc1)c1cc2ccccc2c(=O)s1 12274405 CIGNFGDEKPHRID-UHFFFAOYSA-N 299.326 3.653 0 40 CHAB Clc1cc(-c2cncc(Br)c2)ccn1 12359389 VWSLCJBERLNLIM-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB C[C@H](NC(=O)Nc1ccccc1Cl)c1cccnc1 13744348 XUNWDFZBGJEOJV-JTQLQIEISA-N 275.739 3.618 0 40 CHAB CCOc1ccc2oc(C)c(C(=O)NCc3ccco3)c2c1 15880522 HYEKERVSMLVOLI-UHFFFAOYSA-N 299.326 3.663 0 40 CHAB COc1cccc(NC(=O)c2cc(C)nc3ccccc23)c1 16505304 AROMOLHTIGGESY-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB Cc1cc([C@H]2CCCCCN2C(=O)c2cccs2)no1 19119352 WTCPNCNPJYEXQF-CYBMUJFWSA-N 290.388 3.802 0 40 CHAB Cc1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)nc1 20407241 WKQZMFSELYWFDR-JTQLQIEISA-N 286.400 3.829 0 40 CHAB CCc1ccc(OCc2nc3cc(F)ccc3[nH]2)cc1 21658825 ZARCTLLDCFVVSX-UHFFFAOYSA-N 270.307 3.843 0 40 CHAB C[C@@H]1CCc2sc(C(=O)Nc3ccccn3)cc2C1 27652973 HYQUBOFTNRWBRE-SNVBAGLBSA-N 272.373 3.520 0 40 CHAB Cc1ccc2cc(C(=O)OCc3cccc(F)c3)[nH]c2c1 31445762 YDBBRQQAIVPTJK-UHFFFAOYSA-N 283.302 3.972 0 40 CHAB CCCCSCN1CCN(c2ccc(C)cc2)CC1 31666581 ZSGVRZATEBHZOK-UHFFFAOYSA-N 278.465 3.608 0 40 CHAB O=C(CSc1cccc2ccccc12)N1CCCC1 32698101 MIUSUKJSFVMFON-UHFFFAOYSA-N 271.385 3.554 0 40 CHAB CC(C)(C)n1cc(CNC2CCCCCCC2)cn1 37199350 KTEHUGCSGJROCY-UHFFFAOYSA-N 263.429 3.841 0 40 CHAB CC(C)(C)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 41434426 HEUOCMQQOZOSLN-UHFFFAOYSA-N 279.339 3.785 0 40 CHAB Clc1ccc2sc(/C=C/c3csnn3)nc2c1 44025997 CWMOGVCPFCONRE-DUXPYHPUSA-N 279.777 3.972 0 40 CHAB CC(C)Oc1ccccc1NC(=O)NCCc1ccccc1 48193088 KGDVEYJWOADUFH-UHFFFAOYSA-N 298.386 3.838 0 40 CHAB CCc1ccccc1NC(=O)N(C)Cc1ccc(O)cc1 48312062 CWOHTZSAQXPBJQ-UHFFFAOYSA-N 284.359 3.619 0 40 CHAB C/C(=C\C(=O)N1CCC[C@@H]1c1ccccn1)c1ccccc1 56276237 WATPPVUIGFIWNP-LGHUBQEGSA-N 292.382 3.849 0 40 CHAB CCOC(=O)c1scc(-c2ccccc2Cl)c1N 62710382 JQTNRPSXDXYMTG-UHFFFAOYSA-N 281.764 3.827 0 40 CHAB CCCNc1ncc(CNC(C)(C)CC(C)(C)C)cn1 62717704 MYVYFIPSSYRXOR-UHFFFAOYSA-N 278.444 3.603 0 40 CHAB Cc1nc(C(=O)O[C@@H](C)C2CCCCC2)cs1 65655043 WYYKVYOJDYJHGK-VIFPVBQESA-N 253.367 3.577 0 40 CHAB Cc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1 67657305 AVTPLTJXOVPEGQ-UHFFFAOYSA-N 289.338 3.704 0 40 CHAB CC(=O)N1CCC[C@H](c2cccc(-c3ccccc3C)n2)C1 72357542 ZIAPAXZDHHSMRT-INIZCTEOSA-N 294.398 3.783 0 40 CHAB Cc1c[nH]nc1[C@H]1CCCN1Cc1ccc2[nH]ccc2c1 72364591 DLVFAKZBESSKIS-MRXNPFEDSA-N 280.375 3.537 0 40 CHAB Cc1ccc2cccc(NC(=O)N(C)Cc3ccco3)c2n1 75138838 MQTLNNCRXXUUAE-UHFFFAOYSA-N 295.342 3.800 0 40 CHAB O=C(C1CC=CC1)N1C[C@H]2CCCC[C@@]21c1ccccc1 89827756 WASCVALTHPQRBA-IEBWSBKVSA-N 281.399 3.881 0 40 CHAB Cc1ccc([C@@H](C)NCc2nc(C3CC3)cs2)o1 90458548 WCVOUYOPJKUDFN-SNVBAGLBSA-N 262.378 3.773 0 40 CHAB Nc1nc2c(Cl)ccc(Cl)c2cc1Br 95098192 ZIYBZDYLFQJFNS-UHFFFAOYSA-N 291.963 3.886 0 40 CHAB COc1cc(OC)cc(C(=O)c2cccc(F)c2Cl)c1 95916731 VQLKPXLVOBBFFD-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB Cc1nc2ccccc2c(N2CCC[C@@H](O)C2)c1C(C)C 96006346 CZEGFLZZHLTUKH-CQSZACIVSA-N 284.403 3.628 0 40 CHAB CCOc1cccc(C[S@@](=O)[C@@H](C)c2cccs2)n1 97085323 XVXFOBQVAHRAOD-WLRWDXFRSA-N 295.429 3.552 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1c[nH]c2ccccc12 108926271 IEEWYRIOJGULGV-DVOMOZLQSA-N 284.403 3.651 0 40 CHAB CN(C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1)C1CC1 195530316 ZWCCKWBXGDUIOR-MRXNPFEDSA-N 284.359 3.688 0 40 CHAB CCCCCNC(=O)c1ccc(OC)c(COC(C)C)c1 224430123 AWMBZJRBKGEIHI-UHFFFAOYSA-N 293.407 3.540 0 40 CHAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C 225603568 RZAODPAMSXKZFP-QGZVFWFLSA-N 293.407 3.928 0 40 CHAB CCc1nnc2sc(-c3cc(Cl)cc(Cl)c3)nn12 226293818 XNLATLRNLUIQHG-UHFFFAOYSA-N 299.186 3.722 0 40 CHAB O=C(/C=C/c1ccccc1)N1CCCC[C@@H]1C(F)(F)F 253394396 AYJVTDYVDIWJLZ-WTNCMQEWSA-N 283.293 3.643 0 40 CHAB Cc1ccc2c(c1)N([C@H](C)C(=O)O)C(C)(C)C[C@@H]2C 260621975 QDOZJVYTZZCBJI-NWDGAFQWSA-N 261.365 3.560 0 40 CHAB CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 260772562 UQCMNZLPOBTEJQ-MJVIPROJSA-N 293.794 3.657 0 40 CHAB Cc1cc(Br)cc(C)c1C(=O)C1CC1 306346239 QSUSKOPNFMVNAM-UHFFFAOYSA-N 253.139 3.659 0 40 CHAB CCOc1ccccc1-c1oc2ccc(C)cc2c(=O)c1O 115279 VSQOEVNRZNQZDM-UHFFFAOYSA-N 296.322 3.873 0 40 CHAB CC(C)[C@@H](CCN1C(=O)c2ccccc2C1=O)c1ccco1 532176 QPVNLIQYNOWGTK-CYBMUJFWSA-N 297.354 3.706 0 40 CHAB c1ccc(CC2CCN(Cc3ccccn3)CC2)cc1 809975 WHTKPPSSWDUXTC-UHFFFAOYSA-N 266.388 3.536 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3cccs3)c(C)c2)no1 1429817 AHQOAJFRVCXAIM-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB O=C1O[C@H](c2ccccc2)C[C@@H]1Cc1ccccc1 1597593 FFDIWTPEXKMPOY-HOTGVXAUSA-N 252.313 3.534 0 40 CHAB COc1cc(NCCC[C@H]2CCCCN2)c2ncccc2c1 1640909 BMOWBCJBOOAZSL-OAHLLOKOSA-N 299.418 3.578 0 40 CHAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1C[C@H]1c1ccccc1 1725470 ZRLNSNULNMARCC-GJZGRUSLSA-N 292.787 3.670 0 40 CHAB CCOP(=O)(Cc1cc(C(C)=O)c(C)o1)OCC 1873251 AICCUVWTPHPXFO-UHFFFAOYSA-N 274.253 3.557 0 40 CHAB CCCCC(=O)Nc1ccc(N(CC)CC)cc1C 2069506 TZCHAXPGAKLFFX-UHFFFAOYSA-N 262.397 3.970 0 40 CHAB COc1ccc2c(c1)[C@]1(C)CCC[C@](C)(CO)[C@H]1CC2 3947543 HMPJUDGZKICNFY-KURKYZTESA-N 274.404 3.698 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)c1ccccc1 4611014 WBMULNOFMGKWPA-VNQPRFMTSA-N 288.387 3.873 0 40 CHAB biogenic,in-vitro Cc1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O 4751390 KHWWPUOCGUJBHI-UHFFFAOYSA-N 285.730 3.757 0 40 CHAB CC(=O)C(C(C)=O)[C@H](Nc1ccccc1)c1ccccc1 5249947 AREZYANBNAEVPJ-GOSISDBHSA-N 281.355 3.634 0 40 CHAB O=c1c2ccccc2cnn1Cc1cccc2ccccc12 5453275 NRHMWIIHOHAGOO-UHFFFAOYSA-N 286.334 3.598 0 40 CHAB S=c1nc(COc2ccccc2)[nH]c2ccccc12 5757238 TZOMPXUDVNAVPY-UHFFFAOYSA-N 268.341 3.871 0 40 CHAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(C)cc1C 5939416 QYHGRBMAMAHBBO-AWEZNQCLSA-N 298.386 3.751 0 40 CHAB Cc1ccsc1C(=O)NCCCn1ccc2ccccc21 8427706 PBIUXCBGOFDBTA-UHFFFAOYSA-N 298.411 3.831 0 40 CHAB Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)c(O)c1 9479146 DPMYUFONANHLFC-UHFFFAOYSA-N 293.269 3.554 0 40 CHAB C[C@H](CC(=O)Nc1ccccc1O)c1ccccc1 9723061 YAOWTDNQEPTARP-GFCCVEGCSA-N 255.317 3.525 0 40 CHAB COc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1C 12815337 BZOXWVOPGQYDRB-CYBMUJFWSA-N 281.355 3.595 0 40 CHAB COCc1ccc(C(=O)Nc2c(C)cccc2C)cc1 13012579 XVEGYAJQMZKIBI-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB CC1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 14399595 UDDNSTGKXRJNAX-UHFFFAOYSA-N 286.419 3.549 0 40 CHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccs1 15199070 FUWSXZQVEKYZFB-NSHDSACASA-N 293.388 3.854 0 40 CHAB Cc1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1 15515611 BPPFMKLCDPXPQE-UHFFFAOYSA-N 295.169 3.627 0 40 CHAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2ccccn2)c1 15807528 UXJRPBDXUWGUAB-ZDUSSCGKSA-N 286.400 3.818 0 40 CHAB O=C(NC1CCCCCCC1)c1cc(F)ccc1F 16385252 HIILLVUBRJTBLB-UHFFFAOYSA-N 267.319 3.808 0 40 CHAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)NC2CCCCC2)C1 16578039 ASNMQJHTWVLBJY-RHSMWYFYSA-N 278.440 3.929 0 40 CHAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1F 18117850 RHSNBLAJCQGRRZ-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1 19910448 BQZHNPUWKXKFQY-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB CC(C)c1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1 20745640 JRANEBBXVBWWGM-CQSZACIVSA-N 287.388 3.957 0 40 CHAB COCc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 29145352 SABAOKNKMPSNPB-AWEZNQCLSA-N 299.370 3.547 0 40 CHAB COc1ccc2ccccc2c1[C@@H](CN)N1CCC(C)CC1 32073463 RCMQLXXIWTVYLE-QGZVFWFLSA-N 298.430 3.580 0 40 CHAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 35503382 CJTDWIABBZPMBD-UHFFFAOYSA-N 289.766 3.814 0 40 CHAB Cc1nnc([C@H](C)NC(c2ccccc2)c2ccccc2)o1 40555323 IRIHOOBDQWFUBJ-ZDUSSCGKSA-N 293.370 3.818 0 40 CHAB O=C(O)Cc1ccc(-c2nc3ccccc3s2)cc1 41127076 PKTFNEBFMFTDCN-UHFFFAOYSA-N 269.325 3.590 0 40 CHAB Cc1cc(CN(C)[C@H](C)c2cc3ccccc3o2)no1 44089853 NAJYFHVZNGWNDG-GFCCVEGCSA-N 270.332 3.922 0 40 CHAB CC(C)(C)c1nnc(CN2CCC[C@H]2c2cccs2)o1 44914522 FONICMPHCOFGLN-NSHDSACASA-N 291.420 3.766 0 40 CHAB Cc1ccc(C(=O)c2cccc(Cl)c2Cl)cn1 45029097 SLIAOTSWENZONR-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB COc1ccc(Cn2ccc3c(=S)[nH]ccc32)cc1 45795899 PAGWEBOPJDXTLS-UHFFFAOYSA-N 270.357 3.756 0 40 CHAB Cc1ncsc1C(=O)N[C@@H](C)c1cc2ccccc2o1 46572860 OKLODAJPSMMDAN-VIFPVBQESA-N 286.356 3.689 0 40 CHAB Cc1ccccc1C(=O)N1CCC(Nc2ccccc2)CC1 48291862 ZFGSDWPSPNFQNY-UHFFFAOYSA-N 294.398 3.712 0 40 CHAB O=C(NCCOc1cccc2ccccc12)C1CCCC1 54592138 QDPXEJWZMINXLH-UHFFFAOYSA-N 283.371 3.525 0 40 CHAB CC(C)(C)C[C@@H]1CCCN1Cc1nc(-c2ccco2)no1 57863229 UEEZBEGNFXFPSM-LBPRGKRZSA-N 289.379 3.730 0 40 CHAB COc1cc(COc2ccc(/C=C/C(=O)O)cc2)ccc1C 62715702 CPLKHQHSKLIIQF-JXMROGBWSA-N 298.338 3.680 0 40 CHAB O=C(Cc1cccc(Cl)c1)NC1CCCCCC1 67788515 NXZQQTLRNYBPEW-UHFFFAOYSA-N 265.784 3.722 0 40 CHAB CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 69451753 MCOPFALSNXBZAU-BBRMVZONSA-N 299.418 3.766 0 40 CHAB Cc1nc(S[C@H](C)C(=O)c2cc(F)ccc2F)oc1C 69620558 ZRRMXDLCBXNUEG-SECBINFHSA-N 297.326 3.933 0 40 CHAB CN1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213972 VXPHLIDMTIWLBX-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB CCCCN1CCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 72218805 LEVQCMVCSIHQKM-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C)C2)c1C 72365358 HQGXDNFKGUCECR-OAHLLOKOSA-N 281.403 3.570 0 40 CHAB O=C(C1=CCCC1)N1CCn2cccc2[C@H]1c1ccccc1 95414608 YGQYBJWRJNXXBM-GOSISDBHSA-N 292.382 3.530 0 40 CHAB CN(Cc1nc2ccccc2o1)c1ccnc(C(C)(C)C)n1 95428520 KYVDQWVXHUKPRJ-UHFFFAOYSA-N 296.374 3.552 0 40 CHAB CC1CCN(c2ccc(Br)cc2)CC1 95915746 BPMKLCHZDSBEFT-UHFFFAOYSA-N 254.171 3.685 0 40 CHAB COc1ccc([C@H](C)NC(=O)c2ccc(C)cc2C)cc1 224115321 INHQCRZNPCMJMU-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB Cc1cnc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)s1 257319599 VTFIGIMHMWNDCG-CQSZACIVSA-N 292.448 3.738 0 40 CHAB COc1cc(C)cc(CNC(=O)NC2(C)CCCCC2)c1 506033375 RIJJZTUXABBNHD-UHFFFAOYSA-N 290.407 3.526 0 40 CHAB FC(F)(F)Oc1cc(S)cc(Br)c1 616576103 NKURYDCIJKGBKZ-UHFFFAOYSA-N 273.073 3.636 0 40 CHAB CCOC(=O)Cc1c[nH]c2c(Cl)ccc(Cl)c12 669370047 YAEDBAORBIZLBQ-UHFFFAOYSA-N 272.131 3.580 0 40 CHAB Cc1cc(Nc2cnn(CC(C)C)c2C(C)C)ncn1 678006936 CHFYBILXGZYWSF-UHFFFAOYSA-N 273.384 3.505 0 40 CHAB Cc1cc(N2CCCC[C@@H]2C)nc2c(N)cccc12 685938299 PRORHONPCARVGN-LBPRGKRZSA-N 255.365 3.504 0 40 CHAB C[C@H](Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)O 300 BSFAVVHPEZCASB-JTQLQIEISA-N 292.718 3.984 0 40 CHAB COc1ccc(/C=C/C(=O)NC2CCCCCC2)cc1 146249 GSXLJLWTLSIJLZ-JLHYYAGUSA-N 273.376 3.547 0 40 CHAB c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1 549484 GKFFFOLFBJUEFN-UHFFFAOYSA-N 262.316 3.964 0 40 CHAB O=C1S/C(=C\c2ccccc2)C(=O)N1c1cccc(O)c1 1235757 HEWHAAULXJBWPJ-ZROIWOOFSA-N 297.335 3.633 0 40 CHAB Fc1ccc(-c2nnsc2Sc2ccccn2)cc1 1385739 UFXPCKBVAOPJIJ-UHFFFAOYSA-N 289.360 3.890 0 40 CHAB Cc1ccccc1N1C(=O)S[C@@H](Nc2ccccc2)C1=O 2706927 JXBGOWBDRGWOJP-CQSZACIVSA-N 298.367 3.633 0 40 CHAB N=C1c2ccccc2CN1c1ccc(F)c(Cl)c1 3232046 PWTZEHVGHXVWEN-UHFFFAOYSA-N 260.699 3.825 0 40 CHAB Cc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 3554463 TTYKCPLJYNINDX-DHZHZOJOSA-N 285.774 3.978 0 40 CHAB CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1 4498587 UGJWWFAKNFFIMP-UHFFFAOYSA-N 293.750 3.652 0 40 CHAB O=C(CSc1ccc(F)cc1)Nc1cccnc1Cl 4564064 CCDHWLQGQQVPAT-UHFFFAOYSA-N 296.754 3.605 0 40 CHAB Cc1nc2ncnn2c(Nc2cccc3ccccc23)c1C 4897928 BESUCMADMBGQJK-UHFFFAOYSA-N 289.342 3.638 0 40 CHAB COc1ccc(-c2cnoc2-c2ccc(OC)cc2O)cc1 5450973 PEVNUEUZMKARKC-UHFFFAOYSA-N 297.310 3.731 0 40 CHAB biogenic COc1cccc(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)c1 5529458 DWHLOLBDLYBRSQ-LBPRGKRZSA-N 299.345 3.816 0 40 CHAB O=C(NOCc1ccccc1)Nc1cccc(Cl)c1 5683253 AHJIOHLNTQVDLT-UHFFFAOYSA-N 276.723 3.593 0 40 CHAB c1ccc(-c2nnsc2-c2nc3ccccc3[nH]2)cc1 6110589 BGTDTQNJAXOLJT-UHFFFAOYSA-N 278.340 3.748 0 40 CHAB CC(=O)c1ccc(NC(=S)NC2CCCCC2)cc1 6147556 MQJVJOCYNHVPLS-UHFFFAOYSA-N 276.405 3.508 0 40 CHAB O=C(OCc1ccccc1)C12CC3CC(CC(C3)C1)C2 6223219 VIBYWRCPISSZOY-UHFFFAOYSA-N 270.372 3.946 0 40 CHAB COc1cccc(C2=Nc3ccccc3NCC2)c1 6733609 FYAWOYWRPHBAMS-UHFFFAOYSA-N 252.317 3.632 0 40 CHAB O=C(CSCc1cccc(F)c1)Nc1ccccc1F 7145959 VMTBQTBWQNLTHH-UHFFFAOYSA-N 293.338 3.837 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C 7409043 UPGQXNQRONKWNL-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cccc(NC(C)=O)c1 7653526 WHHJDEWAAYYOKS-UHFFFAOYSA-N 296.370 3.768 0 40 CHAB C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 7909010 LXOLJUFDIYRFOD-GFCCVEGCSA-N 264.328 3.659 0 40 CHAB CC[C@H](C)C(=O)Nc1ccccc1S[C@@H](CC)C(=O)O 8732869 MMJADUJNIUOJJG-JQWIXIFHSA-N 295.404 3.627 0 40 CHAB O=C(CCc1cccs1)Nc1ccnn1C1CCCC1 10025710 KTCWSUBFPHEJPP-UHFFFAOYSA-N 289.404 3.631 0 40 CHAB CC(C)CCNC(=O)CCc1ccc(C(C)C)cc1 10433903 ZQYZQMSMHHJCIH-UHFFFAOYSA-N 261.409 3.905 0 40 CHAB Cc1cc(SCC(=O)c2c[nH]c3ccccc23)nc(C)n1 12016889 MQFFTQAJVFLRQG-UHFFFAOYSA-N 297.383 3.550 0 40 CHAB Cc1occc1C(=O)Nc1nc2c(s1)CCCCC2 12372530 FLMUOVZBYPRIKZ-UHFFFAOYSA-N 276.361 3.566 0 40 CHAB Cc1ccc(C(=O)CSc2nc(C)cc(Cl)n2)cc1 12486671 BFXJFFIDOQKHBP-UHFFFAOYSA-N 292.791 3.722 0 40 CHAB CCc1cccc(CC)c1NC(=O)/C=C/c1cccnc1 12760010 YDGRFEYKMPECAS-ZHACJKMWSA-N 280.371 3.858 0 40 CHAB O=C(c1cc(Cl)ccc1F)N1CCc2ccccc21 12760733 BUKZIFQRMNVJAD-UHFFFAOYSA-N 275.710 3.682 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1C 13582281 HIVTZXSQQLKUIX-UHFFFAOYSA-N 273.307 3.785 0 40 CHAB CCCCCCNC(=S)N1c2ccccc2C[C@H]1C 16638092 ASVKLQXXYXCNPI-CYBMUJFWSA-N 276.449 3.892 0 40 CHAB Cc1cccc([C@H](CN)c2c[nH]c3ccccc23)c1 20268108 MQKQRVXWZXKZBR-HNNXBMFYSA-N 250.345 3.567 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 20493408 WNNLXYAUHBKABL-JKSUJKDBSA-N 297.398 3.948 0 40 CHAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)C(C)C)cc1 21596302 WKSHCSTZSWIJSW-LLVKDONJSA-N 278.421 3.669 0 40 CHAB CCOc1ccccc1NCC(=O)Nc1cccc(CC)c1 21890054 QKBYPSMIWMBJMR-UHFFFAOYSA-N 298.386 3.698 0 40 CHAB Cc1ccc(-c2noc(-c3cccnc3Cl)n2)cc1 22120253 SJYSTTRHYTVMMS-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB Cc1cc(-c2ccc(-c3ccccc3)cc2)nc(N)n1 22126565 KROYNYRWYBCVNW-UHFFFAOYSA-N 261.328 3.701 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1 22515514 PTUSYXGADVSRPY-KRWDZBQOSA-N 297.398 3.777 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(C)c1 22519407 OBPWXHLWVSXOFZ-CQSZACIVSA-N 283.371 3.963 0 40 CHAB Cc1ccc(F)c(NC(=O)c2cc(F)ccc2F)c1 22568867 KENUCTPHYDVOTN-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)N2CCCCCC2)cc1 31851888 CDDLNMPAADLTMX-CQSZACIVSA-N 277.433 3.878 0 40 CHAB C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccncc1 32508866 SQSFDNWIWNOZLO-VIFPVBQESA-N 295.169 3.879 0 40 CHAB Cc1ccc(NC(=O)CC[C@H]2CCCO2)cc1Cl 32815681 FWUIEQGXAUGDJW-GFCCVEGCSA-N 267.756 3.546 0 40 CHAB CCOC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 32901767 MSIQTHXECFQSKN-UHFFFAOYSA-N 292.404 3.782 0 40 CHAB Nc1nc(Cc2ccc(Cl)cc2Cl)cs1 32924393 PNEPXYRISUWLRT-UHFFFAOYSA-N 259.161 3.623 0 40 CHAB CCc1ccc2c(c1)c(C)c(C(=O)N1CCCCC1)n2C 33435945 PPBXFAHRRWAUTO-UHFFFAOYSA-N 284.403 3.675 0 40 CHAB COc1ccc(-n2ccc(-c3ccccc3)n2)cc1 34402419 MZFCTGILLDOBLU-UHFFFAOYSA-N 250.301 3.548 0 40 CHAB CCC[C@H](C)NC(=O)Nc1ccc(Br)cc1 40023777 ZSQFUEKRJIRUQH-VIFPVBQESA-N 285.185 3.759 0 40 CHAB CCc1cccc(CC)c1NC(=O)N[C@@H](C)C(C)C 40023873 MLFOGOLCPQRXJK-LBPRGKRZSA-N 262.397 3.977 0 40 CHAB Cc1ccc(NC(=O)NCc2sccc2C)cc1F 43280833 YSAQBCJZUVLPJE-UHFFFAOYSA-N 278.352 3.826 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(C)cc1 44821606 GXYSVABGZBFRQF-SFHVURJKSA-N 297.398 3.777 0 40 CHAB CN(Cc1noc(C(C)(C)C)n1)[C@@H]1CCCc2ccccc21 45810388 CEGAUDFRKUDKTH-OAHLLOKOSA-N 299.418 3.877 0 40 CHAB CC(C)c1ccc(COCC[C@@H]2CCCCN2)cc1 48895427 UZMUTXYHCQXFJU-KRWDZBQOSA-N 261.409 3.859 0 40 CHAB COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1 49750463 KTEOJQPFNCYLIP-UHFFFAOYSA-N 283.371 3.903 0 40 CHAB CCN(CC)c1cccc(C(=O)Nc2ccccc2)c1 55167845 FGDZXRRCOIDTTB-UHFFFAOYSA-N 268.360 3.785 0 40 CHAB CC[C@@H](CNC(=O)c1ccccc1)c1ccccc1 61997208 SPMTZBAKCFRYSN-AWEZNQCLSA-N 253.345 3.610 0 40 CHAB Cc1cc(C(=O)N(CC2CC2)[C@H](C)c2ccccc2)no1 69771904 FJFLQKRSLHPTER-CYBMUJFWSA-N 284.359 3.596 0 40 CHAB CCN1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216058 XUJVSWOCXJNOSD-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB CN1CCC[C@@H]1c1cccnc1Sc1ccccc1 72217646 VVNMLPSOUFGIAW-OAHLLOKOSA-N 270.401 4.000 0 40 CHAB CC(C)(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)O 72233676 FXZCTBCVFGPHRI-NWDGAFQWSA-N 299.411 3.523 0 40 CHAB O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCCC1 72243329 HDLPGBCQAFHMIZ-UHFFFAOYSA-N 269.319 3.729 0 40 CHAB CN(C)[C@H](CNc1nccc2occc12)c1ccccc1 89313889 LWGHKXTWKCWQCG-OAHLLOKOSA-N 281.359 3.543 0 40 CHAB Cc1cc(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)ccc1Cl 95634125 IXJPMLMGPPJUGB-VXGBXAGGSA-N 280.751 3.722 0 40 CHAB O=C(OCc1nccs1)[C@H]1CCCC[C@H]1C(F)(F)F 97159125 RUNZVTZPBTWPGW-DTWKUNHWSA-N 293.310 3.555 0 40 CHAB Cc1cc(C(=O)Nc2sc(-c3ccccc3)nc2C)no1 97372068 HLLUUZJSUCOTPJ-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB O=C(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1 98210817 CGVVUKYVRXMHQQ-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB C[C@H](NC(=O)c1cc(F)cc(F)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999321 GSCPOBFEYKDEKQ-MYQWFSQQSA-N 279.330 3.519 0 40 CHAB COc1cccc(-c2nc3ccccc3o2)c1OC 216869601 YMYPAEJHDSYNDQ-UHFFFAOYSA-N 255.273 3.512 0 40 CHAB CC(C)COc1ccccc1[C@@H](C)NC[C@H]1CCCO1 225162449 OKLWYSRAVNDOPU-HUUCEWRRSA-N 277.408 3.551 0 40 CHAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1 225649091 MDGJJLJJAKVCMP-MRXNPFEDSA-N 279.380 3.619 0 40 CHAB CCCCn1c(C=O)ccc1Cc1ccc(C)cc1 226029604 QKNSCLSLUPYEKQ-UHFFFAOYSA-N 255.361 4.000 0 40 CHAB Cc1cc(-c2cccnc2Cl)ncc1Br 536954473 QERGPOASXONCMF-UHFFFAOYSA-N 283.556 3.868 0 40 CHAB CC(C)(CNC(=O)NCc1ccccc1)c1ccsc1 1565520191 IOOOQMNEGJJLIS-UHFFFAOYSA-N 288.416 3.525 0 40 CHAB CC[C@@]1(c2ccccc2)CNC(=S)c2ccccc21 784 CTCYPMQAPSGBTQ-KRWDZBQOSA-N 267.397 3.661 0 40 CHAB in-man CC[C@@]1(C)C[C@](CCN)(c2ccc(C)cc2)CCO1 171675 LSXKXJPDFZUXNV-DLBZAZTESA-N 261.409 3.561 0 40 CHAB biogenic Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 357401 FZGXANMBWRQSNK-LSDHHAIUSA-N 251.329 3.737 0 40 CHAB CC(=O)Oc1ccc2cc(Br)ccc2c1 402753 IXQUUGRFWVXBEZ-UHFFFAOYSA-N 265.106 3.528 0 40 CHAB CCC[C@H](C)C(=O)Nc1ccc(Br)cc1F 457009 LYOIORWCXMJPHK-QMMMGPOBSA-N 288.160 3.963 0 40 CHAB Cc1cc(C)cc(OCC(=O)N2CCCc3ccccc32)c1 516395 DHJVTINAABFBCX-UHFFFAOYSA-N 295.382 3.662 0 40 CHAB CC(C)(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 814391 UGHJYSBJDHOPCF-UHFFFAOYSA-N 290.370 3.960 0 40 CHAB CNc1nc(-c2c(C)[nH]c3ccc(C)cc23)cs1 2204780 HMJJEMVQZIWIAE-UHFFFAOYSA-N 257.362 3.950 0 40 CHAB Fc1ccc(OCCCCCCN2CCSCC2)cc1 2314155 XVHFEZGDLOZWRO-UHFFFAOYSA-N 297.439 3.814 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)CCC2CCCCC2)C1 3193294 RKACWDWWQYEARA-KBPBESRZSA-N 251.414 3.851 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)c1oc(=O)cc(Br)c12 3845423 YYXYYZKUGAWUQG-WPPNPWJKSA-N 283.165 3.577 0 40 CHAB biogenic COC(=O)[C@@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 4056181 IBUGDMDFMXQWJL-CYBMUJFWSA-N 270.328 3.602 0 40 CHAB C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 4074122 DKVSUQWCZQBWCP-CFRSGVNKSA-N 282.383 3.639 0 40 CHAB biogenic,in-vitro O=C(CCc1c[nH]c2ccccc12)OCc1ccc(F)cc1 4286771 JOEPXGUNDRLKNL-UHFFFAOYSA-N 297.329 3.983 0 40 CHAB CCCCN[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 4603259 GIICTNPUJIMYDY-SFHVURJKSA-N 294.398 3.731 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 5702024 XYEKPVRUIBZGAH-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB CC(C)C[C@@H](N)c1nnc(SCc2ccc(F)cc2)o1 6256150 BTEPPEWYRWAQPZ-GFCCVEGCSA-N 295.383 3.547 0 40 CHAB Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1F 8083374 CBJRLOMNPBSNJK-UHFFFAOYSA-N 282.318 3.797 0 40 CHAB Cc1ccc(-n2ncc3c(NC(C)(C)C)ncnc32)cc1C 10386193 JIYWOFIHERIBDF-UHFFFAOYSA-N 295.390 3.643 0 40 CHAB Cc1cc(C)cc(NC(=O)[C@H]2Cc3ccccc3S2)c1 11424738 LRNAOORZJUNLJD-MRXNPFEDSA-N 283.396 3.959 0 40 CHAB Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)cc1C 11899781 XLGSSYQJDIODKA-UHFFFAOYSA-N 297.373 3.904 0 40 CHAB Cc1ccc(CSCC(=O)Nc2cc(C)ccn2)cc1 12542070 VCLOBHVPDPEIGU-UHFFFAOYSA-N 286.400 3.570 0 40 CHAB O=C(CCc1ccccc1)Nc1cnc2ccccc2c1 12754822 WUYWDOTWZDAVBF-UHFFFAOYSA-N 276.339 3.806 0 40 CHAB CC[C@@H](C)C(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C 12855575 CVLXCKGVQHZMNI-ZIAGYGMSSA-N 299.418 3.712 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2C)c1C 12953754 CRVASAVRBUXEEA-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB Cc1ccc(C(=O)OCc2cnn(-c3ccccc3)c2)s1 13023254 IYIRMLRXBRKTGA-UHFFFAOYSA-N 298.367 3.599 0 40 CHAB CCCCN1C(=O)c2ccccc2[C@@H]1O[C@@H](C)CC 13941903 PMKHBDPQULBXHR-LRDDRELGSA-N 261.365 3.756 0 40 CHAB CCCCC(=O)NCc1csc(-c2ccccc2)n1 15832393 FYBSIYUYRZMJHY-UHFFFAOYSA-N 274.389 3.617 0 40 CHAB O=C(c1ccc(F)cc1)N1CCC[C@@H]2CCCC[C@H]21 16400822 PMNCNDZGZYIUID-SWLSCSKDSA-N 261.340 3.621 0 40 CHAB O=C(CSC(c1ccccc1)c1ccccc1)NC1CC1 17120912 CCMHHQKXWQOCNL-UHFFFAOYSA-N 297.423 3.788 0 40 CHAB c1ccc2oc(CN3CCC(N4CCCCC4)CC3)cc2c1 19376281 IKLFTNWGNDABMO-UHFFFAOYSA-N 298.430 3.883 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(N)c1C 19736306 PUXOJBGJSUVLTR-KRWDZBQOSA-N 298.386 3.682 0 40 CHAB O=C(NC1CCC(C(F)(F)F)CC1)c1ccsc1 32902209 BTPCEJRUINUPMU-UHFFFAOYSA-N 277.311 3.599 0 40 CHAB c1cc(CN[C@@H]2CCSc3ccccc32)c2c(c1)OCO2 36325101 KSTOMGILILMATR-CQSZACIVSA-N 299.395 3.742 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)CCCc1ccccc1 40107381 QIMAMLAZCAEJKI-OAHLLOKOSA-N 297.398 3.895 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 48325080 FARYUCXMWIKSGX-FZMZJTMJSA-N 299.336 3.943 0 40 CHAB COc1cccc(C(=O)c2ccccc2OC(F)(F)F)c1 55198987 IESWJIPZKZDWCO-UHFFFAOYSA-N 296.244 3.825 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(NC2CC2)nc1 72213784 XTDVAMJHZSCTJI-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB CN1CCC[C@H]1c1cccnc1Sc1ccccc1 72217647 VVNMLPSOUFGIAW-HNNXBMFYSA-N 270.401 4.000 0 40 CHAB Clc1ccccc1Cc1cccc(C2CCNCC2)n1 72348404 NVPJXYKWOHZYEG-UHFFFAOYSA-N 286.806 3.793 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cscc1C 75149026 QSTVITADOTZZHM-CYBMUJFWSA-N 290.413 3.816 0 40 CHAB Cc1ccc(NC(=O)N(C)[C@@H](CCO)c2ccccc2)cc1 75533685 MVWKWVQCJPHZMJ-KRWDZBQOSA-N 298.386 3.582 0 40 CHAB C[C@@H]1CSc2ccccc2[C@@H]1NCc1ccco1 95427052 DEMVWLOJCWZKQT-IAQYHMDHSA-N 259.374 3.852 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1F 95916271 QOYIYOSWKWKHQL-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB Cc1ccccc1CSCC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100226302 YHHUMHROJPMLDH-IIAWOOMASA-N 289.444 3.533 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 113945896 DBZOMKMKDQLCJZ-HZPDHXFCSA-N 297.398 3.948 0 40 CHAB O=C(NC1(c2cccs2)CCCC1)c1ccoc1 390827728 JMIKRGSUFHVELI-UHFFFAOYSA-N 261.346 3.540 0 40 CHAB CC[C@H](C)n1cc(Cl)c(COCCC(F)(F)F)n1 408716031 IDWAFTHXZTYTHH-QMMMGPOBSA-N 284.709 3.977 0 40 CHAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C2CCCCC2)cc1 1615140650 SDGZFYYEHTZEPB-OALUTQOASA-N 287.447 3.696 0 40 CHAB CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 134854 JVHXBKDEIARJES-UHFFFAOYSA-N 289.400 3.667 0 40 CHAB O=C(CNc1ccccc1)Nc1cccc2ccccc12 245485 WXFFENWUBCDHSU-UHFFFAOYSA-N 276.339 3.890 0 40 CHAB O=C1O[C@H](C(Cl)(Cl)Cl)Sc2ccccc21 1599614 ZFQCFEFNRZUXLP-QMMMGPOBSA-N 283.563 3.645 0 40 CHAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1 3598096 XAZABFAYRUEUHH-GFCCVEGCSA-N 287.384 3.588 0 40 CHAB Clc1ccccc1OCCSc1nc(C2CC2)n[nH]1 22379764 VWZGVYJMQKPGQB-UHFFFAOYSA-N 295.795 3.507 0 40 CHAB Cc1noc(CNc2ccc(-c3ccccc3)cc2)n1 42365854 KSZJSETZAFFEFU-UHFFFAOYSA-N 265.316 3.657 0 40 CHAB Clc1ccc(-c2ccc(-c3cccnc3)nc2)cn1 12359435 HFAGORVNAKFNGR-UHFFFAOYSA-N 267.719 3.859 0 40 CHAB CC1CCC(OC(=O)Cc2ccc(F)cc2F)CC1 23115393 SBXVCJLIUGQVAH-UHFFFAOYSA-N 268.303 3.629 0 40 CHAB CC[C@H](NC(=O)c1ccc(Br)cc1)C(C)C 42550590 VWZGDAKAEFBVSZ-LBPRGKRZSA-N 284.197 3.614 0 40 CHAB CC(=O)n1nccc1[C@H](C)Oc1cccc(C(F)(F)F)c1 3016426 PDIYCTRPRHTZQH-VIFPVBQESA-N 298.264 3.702 0 40 CHAB O=C(Nc1cccc2cccnc12)c1ccsc1 24002200 KYYFHBLENVMTPZ-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB COc1c(C)cccc1C(=O)Nc1cccc(C)c1 9141454 GSVCALMTRMTDKF-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)N(C)C2CCCC2)cc1 53333235 YQRZWCFBROMUDH-CYBMUJFWSA-N 277.433 3.877 0 40 CHAB C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]45C[C@H]4CC[C@]35C)[C@@H]1CCC2=O 118934200 NIDVKCKYZAQGOI-PZGIURSKSA-N 288.431 3.569 0 40 CHAB O=[S@](c1ccccc1)[C@H]1C[C@@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2 104292335 OITBQIGRFXNGRO-QHJLJPATSA-N 284.424 3.929 0 40 CHAB CCCO[C@@H]1CCCN(C(=O)C2CCCCCC2)CC1 108235737 BFOWLRMBZPVWGX-MRXNPFEDSA-N 281.440 3.765 0 40 CHAB C[C@H](NC(=O)c1cccs1)c1nc(-c2ccccc2)c[nH]1 58215516 BFSDQRNLMSQHMN-NSHDSACASA-N 297.383 3.629 0 40 CHAB O=C(O)CCCCCCCCCC[n+]1ccccc1 2255938 UAXUFWHZYVBBGS-UHFFFAOYSA-O 264.389 3.570 0 40 CHAB O=C(Nc1noc(-c2ccccc2)n1)c1ccc(Cl)cc1 28288622 ZVOXRJJXJNOTLD-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CC1CCC(NC(=O)c2ccc(OC(F)F)cc2)CC1 12756721 FFOWMQUTWJOBPR-UHFFFAOYSA-N 283.318 3.597 0 40 CHAB Cc1ccc(-c2noc(-c3ccc(C)c(N)c3)n2)cc1 20565188 HFNODNDLGCLBHR-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CC(C)Cc1nnc2sc(-c3ccc(Cl)cc3)nn12 11278515 BVISPXSUJWUOMP-UHFFFAOYSA-N 292.795 3.705 0 40 CHAB Cc1sc2ncnc(NCc3cccs3)c2c1C 2552914 KLHVRBIPSAKIKO-UHFFFAOYSA-N 275.402 3.982 0 40 CHAB Cc1cc(CSc2nnc(C3CCCCC3)o2)no1 48324181 SPMRBKXMJCMTBA-UHFFFAOYSA-N 279.365 3.706 0 40 CHAB COc1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1 3421785 RYXYZTPMAHBIEF-UHFFFAOYSA-N 295.338 3.715 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1ccc2ccccc2n1 12927496 XUWULLWYYPVAJM-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB c1ccc(CN2CCCCC[C@H]2c2ccncc2)nc1 95351187 AXNZDEOHWQOCIN-KRWDZBQOSA-N 267.376 3.594 0 40 CHAB Cc1nc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@H]32)cs1 12918739 QNBOVGYNAWGSGP-UKQHYNNHSA-N 290.432 3.646 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1Br 3621489 CYNDPQIFBMMXGW-GXFFZTMASA-N 296.208 3.758 0 40 CHAB O=C(NC1CCCC1)/C(=C/c1ccco1)c1ccccc1 28219537 ORWXCMOKBSQDRX-GHRIWEEISA-N 281.355 3.879 0 40 CHAB N[C@@H](c1ccccc1)c1ccc(Br)cc1F 19425977 YYVCIDGLFCZXAV-ZDUSSCGKSA-N 280.140 3.636 0 40 CHAB in-vitro CC(C)CNC(=O)CCSc1ccc(Cl)cc1 5613874 XLEOHBAGMSFQCR-UHFFFAOYSA-N 271.813 3.594 0 40 CHAB CCc1ccccc1NS(=O)(=O)c1cccc(Cl)c1 7050656 DDWPEYDSJKFNOC-UHFFFAOYSA-N 295.791 3.703 0 40 CHAB CCOCc1c(C(=O)Nc2ccncc2)oc2ccccc12 9379388 BSVYETITYGITAO-UHFFFAOYSA-N 296.326 3.617 0 40 CHAB Cc1ccoc1C(=O)Nc1ccc(Cl)cc1F 16960386 NDPQQAWBMPJDJI-UHFFFAOYSA-N 253.660 3.633 0 40 CHAB CN(C)C(=O)c1sc2cc(Cl)ccc2c1Cl 20160348 XGICGMSUKCOZDT-UHFFFAOYSA-N 274.172 3.910 0 40 CHAB CC(C)(C)OC(=O)Nc1c(F)cccc1Br 98210189 WWWUUAZACLRSJM-UHFFFAOYSA-N 290.132 3.935 0 40 CHAB in-vitro Cc1ccc(C(=O)C(Cl)(Cl)Cl)cc1F 307273039 VJXGGNDPUQRVCL-UHFFFAOYSA-N 255.503 3.687 0 40 CHAB O=C(Cn1cccc/c1=N\c1ccccc1)c1ccccc1 36625628 USBPCJOYKQMNOK-FMQUCBEESA-N 288.350 3.603 0 40 CHAB CCCCOc1ccc(OC(=O)c2ccc(O)cc2)cc1 34080193 NMPRZRJMGXDQJH-UHFFFAOYSA-N 286.327 3.790 0 40 CHAB O=C(Nc1nccs1)c1ccc(Oc2ccccc2)o1 72260081 GSSXGVDOSIKDIO-UHFFFAOYSA-N 286.312 3.781 0 40 CHAB CC[C@@H](N)c1ccc(N2CCCc3ccccc32)nc1C 72224967 SKCCKXCBBRMITE-MRXNPFEDSA-N 281.403 3.884 0 40 CHAB CCc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1 32902271 KASYVUYUMSOWPX-KRWDZBQOSA-N 280.371 3.621 0 40 CHAB CCC(=O)c1cnc(N2CCc3ccccc32)cc1C 72223941 LJXICRPLPADONP-UHFFFAOYSA-N 266.344 3.677 0 40 CHAB Cc1cccc(NC(=O)c2cnc(C(C)C)nc2C)c1C 75436976 LJZIFXMRSCGQOZ-UHFFFAOYSA-N 283.375 3.778 0 40 CHAB CCN1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C 72213008 KIWSFQSCLWRYQQ-INIZCTEOSA-N 275.440 3.862 0 40 CHAB Cc1cc(C)nc(S[C@@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)n1 226539787 ZXXWVGOLGNDPMP-AXAPSJFSSA-N 290.432 3.579 0 40 CHAB COc1ccc(NCc2ccncc2)cc1C(F)(F)F 199766435 GSXJWKWGVSKFAD-UHFFFAOYSA-N 282.265 3.721 0 40 CHAB CC[n+]1ccc(-c2nc3ccc(Cl)cc3s2)cc1 226776500 GFYWPRHLEOMQJA-UHFFFAOYSA-N 275.784 3.924 0 40 CHAB CCN1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 225824847 WOJRULMQFXMWON-UHFFFAOYSA-N 295.382 3.660 0 40 CHAB CC[C@]1(C)Oc2ccc(NCc3cncs3)cc2O1 191098287 LJAIPUSPWKABGB-CQSZACIVSA-N 276.361 3.653 0 40 CHAB c1cc([C@@H]2CCCN2Cc2ccsc2)n2ccnc2c1 257215962 CSLJTBNOEUKIDP-AWEZNQCLSA-N 283.400 3.733 0 40 CHAB Cc1ccc(Cl)cc1C(=O)[C@H]1CCCC[C@H]1C(=O)O 95634141 UDOCBAOKJVJBDB-NWDGAFQWSA-N 280.751 3.722 0 40 CHAB Fc1ccc2nc(N3CC[C@@H](c4ccccn4)C3)sc2c1 882308920 KNPIZKLSJQLGLE-LLVKDONJSA-N 299.374 3.824 0 40 CHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cccs2)on1 72395092 OASYFUMENCDVER-SWLSCSKDSA-N 276.405 3.546 0 40 CHAB CC(C)CSC[C@@H](C)Nc1cccc(-c2nc[nH]n2)c1 95991618 TVGKEIRIBYDCBX-GFCCVEGCSA-N 290.436 3.661 0 40 CHAB Nc1cccc(Cl)c1N1CCC(Cl)(Cl)CC1 1772715027 NJHCPNBAUCMEPA-UHFFFAOYSA-N 279.598 3.696 0 40 CHAB CCc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 5171601 KLBJTXBEKSVGOI-CYBMUJFWSA-N 253.345 3.740 0 40 CHAB Cc1ccc(-c2nnc(S[C@H]3CCCCC3=O)o2)cc1 5864410 OPYXIAYISFGEKG-ZDUSSCGKSA-N 288.372 3.649 0 40 CHAB Cc1cccc(NC(=O)COc2cccc3cccnc23)c1 5937858 OIBZRYNHJXACJB-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB C[C@H](CNC(=O)c1cc2ccsc2[nH]1)c1ccccc1 12762662 WMYAWHJPCAUVBQ-LLVKDONJSA-N 284.384 3.763 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H]1C 12921363 IEEWYRIOJGULGV-WOSRLPQWSA-N 284.403 3.651 0 40 CHAB CC1=NN(c2ccccc2)[C@H]2c3ccccc3[N+]([O-])=C(C)[C@H]12 162197 BWMMOELXELJKRE-ROUUACIJSA-N 291.354 3.856 0 40 CHAB Cc1ccc(NC(=O)CN2CCCc3ccccc32)cc1F 5687557 RFHZCTXYULMHLK-UHFFFAOYSA-N 298.361 3.525 0 40 CHAB CC[C@@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 7557218 RMCHCIBMGCFHCH-SSDOTTSWSA-N 260.765 3.564 0 40 CHAB COc1cccc(NC(=O)Nc2ccc(C)cc2)c1 6212914 NPQMFPFHZBWJTF-UHFFFAOYSA-N 256.305 3.648 0 40 CHAB C[C@@H](NCc1ccco1)C12CC3CC(CC(C3)C1)C2 7519305 AOXHXNXGJDPPBV-JISDDCRVSA-N 259.393 3.974 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1n[nH]c2c1CCCCC2 4625935 BCGSWRRLMUHCGC-UHFFFAOYSA-N 289.766 3.584 0 40 CHAB CCOc1ccc(C(=O)c2cccc(C)c2C)cc1 37358224 MEPBCPCPRICWSV-UHFFFAOYSA-N 254.329 3.933 0 40 CHAB Cc1ccccc1CCNC(=O)[C@@H](C)Sc1ccccc1 32678546 HVYBAIZXFFGJBQ-OAHLLOKOSA-N 299.439 3.835 0 40 CHAB C[C@@H](CC(=O)N1CCc2sccc2C1)c1ccccc1 32883728 CTDXOUYPPGECSN-ZDUSSCGKSA-N 285.412 3.827 0 40 CHAB O=C(c1cc(Cl)nc2ccccc12)N1CCCCC1 482236 PNJYBGNZULMUEH-UHFFFAOYSA-N 274.751 3.514 0 40 CHAB O=C(NC1CCCC1)c1cc(Cl)ccc1Cl 60720 YVBRBJHPELAGCP-UHFFFAOYSA-N 258.148 3.666 0 40 CHAB C[C@@H]1Sc2ccc(Cl)cc2-c2nc(N)ncc21 107016 IRMOVYCOOYNMIP-LURJTMIESA-N 263.753 3.546 0 40 CHAB Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 2662742 INZOSWYWSFMVLC-UHFFFAOYSA-N 292.382 3.757 0 40 CHAB C[C@@H](NC[C@@H]1CC=CCC1)c1ccc(N2CCCC2=O)cc1 79064276 SEDKIYSEGBUOIX-HZPDHXFCSA-N 298.430 3.820 0 40 CHAB Cc1ccc(CC(=O)NCc2ccccc2Cl)cc1C 3562271 QZKKHLQMPSXZMH-UHFFFAOYSA-N 287.790 3.816 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc(F)ccc2F)c1 22560147 WANUVGPHWYPGMY-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CSc1ccccc1NC(=O)/C=C/c1csc(C)n1 12228573 KARLHCODGQXAMP-BQYQJAHWSA-N 290.413 3.825 0 40 CHAB CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OC 8254366 KGBUIKSFEHSLDI-AWEZNQCLSA-N 285.387 3.945 0 40 CHAB CNCc1ccccc1Oc1ccc(C)cc1OC 34825421 KUPYYRDCJKBIQJ-UHFFFAOYSA-N 257.333 3.515 0 40 CHAB COc1cccc(C[S@@](=O)Cc2ccc(Cl)cc2)c1 58132315 VSCOHDPSECLNHT-LJQANCHMSA-N 294.803 3.798 0 40 CHAB CCN(Cc1ccncc1)Cn1c(=S)oc2ccccc21 3281470 VRNKRPLPHSOGRJ-UHFFFAOYSA-N 299.399 3.838 0 40 CHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1C)C2 12618447 WYLZLXFDHYABHX-MRXNPFEDSA-N 283.396 3.959 0 40 CHAB Cc1nc(Cl)nc(C)c1Cc1ccc(Cl)cc1 62132631 DTDIOZWLPWZDTM-UHFFFAOYSA-N 267.159 3.991 0 40 CHAB in-vitro O=C(c1cccc(CN2CCCCC2)c1)C1CCC1 2515039 BTUBPGBTQNHCTF-UHFFFAOYSA-N 257.377 3.655 0 40 CHAB O=C(CCc1cccc(F)c1)c1ccc(F)c(F)c1 2517360 KDXITCYWNAIQDX-UHFFFAOYSA-N 264.246 3.919 0 40 CHAB Cc1cc([C@H](C)NC(=O)/C=C/c2csc(C)n2)c(C)o1 49380215 XEVVLLBMGVKYDT-PORFMDCZSA-N 290.388 3.552 0 40 CHAB CC(C)COc1ccc([C@H]2CC(O)=Nc3c2cnn3C)cc1 49544759 YWUVREIUWKRXIR-CQSZACIVSA-N 299.374 3.579 0 40 CHAB COc1ccc(-c2nc3cc(C)ccc3o2)cc1OC 4384049 DTKPVIWYVFLICC-UHFFFAOYSA-N 269.300 3.820 0 40 CHAB COc1cc(C)c(C(=O)NCc2ccco2)cc1C(C)C 74948331 ZSDQCTGWXWSDOJ-UHFFFAOYSA-N 287.359 3.650 0 40 CHAB CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 6488633 FNZYFOACEQKRGE-VNHYZAJKSA-N 275.392 3.640 0 40 CHAB Cc1cccnc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 9339375 YAGJUPAUKZBXQD-CHWSQXEVSA-N 286.762 3.786 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@H](C)C1 7787488 PREZGGBBSHVXGJ-JSGCOSHPSA-N 284.403 3.779 0 40 CHAB Cc1cc(C)cc(CN[C@@H](C)c2c(C)nn(C)c2C)c1 71857583 YENNJJKZVXONQV-ZDUSSCGKSA-N 271.408 3.505 0 40 CHAB CN(C(=O)CC1=CCCCC1)c1ccc(Cl)cn1 71914741 KPKQSFPCLZXFKW-UHFFFAOYSA-N 264.756 3.588 0 40 CHAB Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)s1 34868559 HZTMJYUGQMQDBE-DLOVCJGASA-N 251.395 3.611 0 40 CHAB C[C@@H]1CCc2ccccc2N1C(=O)OCC(F)(F)F 32628779 CFGKDPVZLWDZJW-SECBINFHSA-N 273.254 3.527 0 40 CHAB CC(C)C(NC(=O)COc1ccccc1Cl)C(C)C 218845866 FDZZQFPMBRDECL-UHFFFAOYSA-N 283.799 3.516 0 40 CHAB CC1(C)CN(C(=O)c2ccoc2)C[C@@H]1c1ccccc1 122028017 OHTUBQZWVQGFQQ-OAHLLOKOSA-N 269.344 3.545 0 40 CHAB c1csc(-c2ccn3c(n2)nc2ccccc23)c1 32102303 VCYHRJFALXFXGG-UHFFFAOYSA-N 251.314 3.611 0 40 CHAB COC(=O)/C=C/c1cccc(OCc2ccccc2F)c1 216894943 GUHHFKQTGPLZQM-MDZDMXLPSA-N 286.302 3.591 0 40 CHAB CC(C)[C@H](C)NC(=O)CCSc1ccc(Cl)cc1 44195574 GKSDKEAHARTIMP-NSHDSACASA-N 285.840 3.983 0 40 CHAB CCCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC1 226276316 IQLGVOUWBIQAPA-UHFFFAOYSA-N 298.386 3.644 0 40 CHAB O=C(Cc1cccc(F)c1F)Nc1cncc2ccccc12 89626647 HVJOKHNKBZMQSO-UHFFFAOYSA-N 298.292 3.694 0 40 CHAB COc1cc(C)c(C(=O)NCCC(C)C)cc1C(C)C 225660301 PSOLEXJPVBEAEP-UHFFFAOYSA-N 277.408 3.903 0 40 CHAB CCC[C@H](C)NC(=O)Nc1cccc(OC(F)F)c1 47908648 KWHKSEUZTRHLJZ-VIFPVBQESA-N 272.295 3.598 0 40 CHAB CC(C)OC(=O)c1ccc(Nc2ccc(F)cc2)c(N)c1 225422469 ALXQNRZLRPAJLO-UHFFFAOYSA-N 288.322 3.717 0 40 CHAB CCS(=O)(=O)/C=C/c1ccc(-c2ccccc2)cc1 96510033 QLSHGEDQYNFGEI-OUKQBFOZSA-N 272.369 3.759 0 40 CHAB C[C@H]1C[C@@H](c2ccsc2)CN1Cc1ccncc1 95401544 DJPDQXZFCVTWSO-SWLSCSKDSA-N 258.390 3.521 0 40 CHAB Cc1ccc(N(C)Cc2nc(-c3ccco3)no2)c(C)c1 52450224 ONWNYLMOEJMVRK-UHFFFAOYSA-N 283.331 3.583 0 40 CHAB Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)nc2)s1 78494564 RRRPTAKQUANTLD-GHMZBOCLSA-N 292.791 3.847 0 40 CHAB COc1cccc(-c2cc3ccccc3nc2OC)c1 79240694 XIIZGJDHNBDUFG-UHFFFAOYSA-N 265.312 3.919 0 40 CHAB Cc1cnn(Cc2ncc(-c3cccc(Cl)c3)o2)c1 98013753 ZFYJCUGTFQTVLH-UHFFFAOYSA-N 273.723 3.548 0 40 CHAB Cc1coc(-c2cc(C(=O)O)c3ccccc3n2)c1 5750205 ZZSBBPDJQQMUSV-UHFFFAOYSA-N 253.257 3.501 0 40 CHAB Cc1nn([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 16266432 VLLRLIHVUXCFGH-ZDUSSCGKSA-N 288.354 3.897 0 40 CHAB COc1cc(OC)c2nc(Cl)cc(Cl)c2c1 68675293 PJCWWDPIHKIDPC-UHFFFAOYSA-N 258.104 3.559 0 40 CHAB O=C(c1ccc(O)c(Cl)c1)N1CC[C@H]2CCCC[C@H]2C1 32845339 IOHSTBGPPGIDDJ-YPMHNXCESA-N 293.794 3.698 0 40 CHAB O=C(Oc1cccc2c(O)cccc12)c1ccccc1 271727 TWYZJDASIMIAPK-UHFFFAOYSA-N 264.280 3.765 0 40 CHAB C[C@@H](C(=O)O)c1cccc2nc(-c3ccccc3)oc12 1566229 NHWQKXLYPPATQO-SNVBAGLBSA-N 267.284 3.683 0 40 CHAB CCOC(=O)c1ccc(C(=O)[C@H](CC)c2ccccc2)o1 575361878 QHLSFNDTZYIAMC-CYBMUJFWSA-N 286.327 3.833 0 40 CHAB Nc1ccccc1/C=C(\C(=O)O)c1ccc(Cl)cc1 16968461 NVUPTMBFVVWOLS-LCYFTJDESA-N 273.719 3.547 0 40 CHAB Cc1cc2cc(NC(=O)/C=C/c3cccnc3)ccc2[nH]1 40081340 PRYJHOIANNKCQE-QPJJXVBHSA-N 277.327 3.523 0 40 CHAB CC(C)(C)c1nc(CN2CCC(c3ccccc3)CC2)no1 40153462 HIMDNUATGWBORL-UHFFFAOYSA-N 299.418 3.747 0 40 CHAB CC[C@H](Nc1ccccc1)c1nc(-c2ccccn2)no1 20919155 XLDGADJZKKFJIQ-ZDUSSCGKSA-N 280.331 3.695 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)CC(C)C 32781326 GBYZJXYGVKCKOS-LBPRGKRZSA-N 251.395 3.630 0 40 CHAB Cc1ccc(C)c(SN2C(=O)c3ccccc3C2=O)c1 497096 ASDUIEFWLLMTRL-UHFFFAOYSA-N 283.352 3.607 0 40 CHAB Cc1ccc(-c2nn3cnnc3c3ccccc23)cc1C 126458 CFZYPRZWWYLAKG-UHFFFAOYSA-N 274.327 3.561 0 40 CHAB Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)O)c(C)c1 324109 OAQJISXJQFDPSP-UHFFFAOYSA-N 298.367 3.916 0 40 CHAB Cc1ccsc1CNC1C2CC3CC(C2)CC1C3 359707 JWPJKCJVNRSKQI-UHFFFAOYSA-N 261.434 3.971 0 40 CHAB COc1ccc([C@H]2NCCC[C@@H]2c2ccccc2)cc1 1700403 HOBHPIQVTRUWBT-QZTJIDSGSA-N 267.372 3.904 0 40 CHAB CCCSCC(=O)Nc1c(CC)cccc1CC 1910757 IIFWBMRBSLHGDF-UHFFFAOYSA-N 265.422 3.893 0 40 CHAB CO[C@H]1C2=C(CCCC2)C(=O)N1[C@H]1CCCc2ccccc21 4600224 ZWFZGGCYVMIVTJ-HKUYNNGSSA-N 297.398 3.749 0 40 CHAB CO[C@H]1c2ccccc2C(=O)N1[C@@H]1CCCc2ccccc21 4670555 NTTAACPSKCBGQB-MJGOQNOKSA-N 293.366 3.865 0 40 CHAB CC[C@H](C(=O)Nc1ccc(Cl)cn1)c1ccccc1 4680058 ZQUVMYUEWDEPFW-ZDUSSCGKSA-N 274.751 3.867 0 40 CHAB Cc1ccc(N[P@]2(=O)C=C(Cl)N(C)C(=O)N2C)cc1 5545042 IFMRJPNDONKQCL-LJQANCHMSA-N 299.698 3.635 0 40 CHAB O=C(NCc1ccccc1F)c1c(F)cccc1Cl 5630763 ZKCPPSUHSILXTQ-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CN1CCCO[C@H](c2ccccc2)c2ccsc2CC1 5759114 CAGUNSQDJUXDGK-QGZVFWFLSA-N 287.428 3.732 0 40 CHAB CC[C@@H](C)n1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 6016523 FXYNFEMDQAPXHP-MRVPVSSYSA-N 294.445 3.970 0 40 CHAB CCCC[C@@H](CC)CNC(=O)CCc1ccc(OC)cc1 6042908 XPLADLGCDGEBLT-OAHLLOKOSA-N 291.435 3.960 0 40 CHAB CCn1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21 6719019 XIFKTOYPLJGFQB-UHFFFAOYSA-N 263.364 3.656 0 40 CHAB COc1ccccc1C(=O)Nc1ccc2scnc2c1 10217530 FFVUKEKTPTZPHM-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB O=C(Cc1cccc(F)c1)N[C@H](c1ccccc1)C1CC1 11211640 PRZQZFIGNLQJFI-GOSISDBHSA-N 283.346 3.636 0 40 CHAB O=C(CC1=CCCCC1)N1CCC[C@@H](Nc2ccccc2)C1 11820659 RAEXJFRIJFSRGS-GOSISDBHSA-N 298.430 3.980 0 40 CHAB CCc1nn2c(O)c(Cl)c(C)nc2c1-c1ccccc1 12115647 HGAJNPRZBSGSTG-UHFFFAOYSA-N 287.750 3.626 0 40 CHAB Cc1cccc(NC2=NN=C(c3ccco3)CS2)c1 12549455 YFQHEOZUDNSOPT-UHFFFAOYSA-N 271.345 3.507 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2C)cc1 12763833 XYTXTXBLKBFLMI-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1cc(F)cc(F)c1 16024264 LHJBNAOUUXQHHH-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CCC(C)(C)NCc1cc(Br)ccc1F 19879703 FRGHOJGOFIWOFP-UHFFFAOYSA-N 274.177 3.866 0 40 CHAB Cc1cc(OCCC2CCNCC2)ccc1C(C)C 20593598 ODKQELDSGSBWQU-UHFFFAOYSA-N 261.409 3.887 0 40 CHAB Cc1[nH]c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1C 21895258 QHXFRAJQIDJSFZ-VXGBXAGGSA-N 284.403 3.903 0 40 CHAB CCCCNc1nnc(-c2ccc(F)cc2)s1 28246329 CJWQMJQLEMUXTP-UHFFFAOYSA-N 251.330 3.556 0 40 CHAB CC[C@@H](C)NC(=O)c1cc2cc(Br)ccc2o1 28250200 UOJQXIXSMBCJRT-MRVPVSSYSA-N 296.164 3.724 0 40 CHAB Cc1cc2ncn(C[C@@H](O)c3ccccc3F)c2cc1C 28913497 SQIBFAFTIQURDQ-QGZVFWFLSA-N 284.334 3.526 0 40 CHAB CCCc1nc(CSc2nc(C(C)C)n[nH]2)cs1 32777159 FPEIHUFVPOBUAZ-UHFFFAOYSA-N 282.438 3.629 0 40 CHAB CCOC(=O)c1sc(NC(=O)[C@H]2CC=CCC2)cc1C 35151809 CUEYKVVKAFIPMV-NSHDSACASA-N 293.388 3.528 0 40 CHAB Clc1ccccc1OCc1noc(-c2ccco2)n1 37170374 FXVXACPBSVQCRP-UHFFFAOYSA-N 276.679 3.562 0 40 CHAB O=C(Nc1ccccn1)c1cc2ccccc2c(Cl)n1 37372921 NJSJYYJATMPYPG-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB O=C(NCc1ccc(F)cc1)Nc1cccc2ncccc12 40103574 MIKWYJLCSPXDBT-UHFFFAOYSA-N 295.317 3.696 0 40 CHAB CCN(CC)[C@H](CNC(=O)CC(C)(C)C)c1ccccc1 57288258 PAXYFQMVAISZQO-MRXNPFEDSA-N 290.451 3.622 0 40 CHAB C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1ccco1 57833077 KWIPIHXAILEAIW-AEZGRPFRSA-N 261.346 3.574 0 40 CHAB Cc1c(C(=O)Nc2ccc(CCO)cc2)oc2ccccc12 60528634 NCTQWZDTEHPLNB-UHFFFAOYSA-N 295.338 3.528 0 40 CHAB O=C(c1ccccc1F)c1ccccc1OC(F)(F)F 62773948 OTHGDUKLQCKLGD-UHFFFAOYSA-N 284.208 3.955 0 40 CHAB CCc1ccc(C(=O)C(C)(C)Br)cc1 71423407 FRLPHWVDHFBDQG-UHFFFAOYSA-N 255.155 3.605 0 40 CHAB CCc1ccc(NC(=O)c2c(C)nc3ccc(C)cn23)cc1 71459236 PXCUOMKTCRYPOQ-UHFFFAOYSA-N 293.370 3.766 0 40 CHAB CCCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 71908756 QZFLTAPMCKBYJP-KRWDZBQOSA-N 282.387 3.590 0 40 CHAB CCCN(CCC)c1ccc([C@@H](O)c2ccccc2)cn1 72225282 NMGIJTPFQNBQNK-SFHVURJKSA-N 284.403 3.790 0 40 CHAB O=C(Nc1cnoc1)c1ccc(-c2ccccc2)cc1 75170890 IYUJYTFSJNJSOH-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB FC(F)(F)c1ccc(Br)c2cc[nH]c12 89204571 UXJZQBQQLRLGCR-UHFFFAOYSA-N 264.044 3.949 0 40 CHAB COc1ccc(-c2nc(COc3ccc(C)nc3)co2)cc1 95938950 HEUDJXXBTWJQOR-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB CO[C@@H](C)c1nc(Cl)cc(C2CCCCC2)n1 96529049 ZBERKLNKZIVACA-VIFPVBQESA-N 254.761 3.885 0 40 CHAB COc1ccc([C@@H]2C[C@@H]3C[C@H](c4ccccc4)N2O3)cc1 100398644 HMVKUDOMJCCSHK-KSZLIROESA-N 281.355 3.887 0 40 CHAB Nc1cc(-c2cccs2)c(Br)s1 100969487 DAVMXSLYWDDUCX-UHFFFAOYSA-N 260.181 3.821 0 40 CHAB CCN1C(=O)[C@H](Cc2sccc2C)c2ccccc21 101014665 WTNLJUPEANKIOR-CYBMUJFWSA-N 271.385 3.749 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1C 223152608 LVQOBKOATKGUGY-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB CCCCn1c(C)c(CNCCC)c2cc(O)ccc21 223765489 BPGIKNGACKGLJM-UHFFFAOYSA-N 274.408 3.955 0 40 CHAB CC(C)c1ccccc1O[C@H](Cc1ccccc1)C(=O)O 225013925 HQWDXGYZIJEWSE-QGZVFWFLSA-N 284.355 3.885 0 40 CHAB CC1CCC(N(C)CC(=O)N(C)CC2CCCCC2)CC1 524754524 BLGSSCMFOJGREY-UHFFFAOYSA-N 294.483 3.536 0 40 CHAB OCc1ccc(OCc2ccccc2)c2ccccc12 725343237 GBTMHOSDOSUSLD-UHFFFAOYSA-N 264.324 3.911 0 40 CHAB CCOP(=O)(OCC)c1cccc2ccccc12 2146812 INXMOAKUGQVZPN-UHFFFAOYSA-N 264.261 3.731 0 40 CHAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccco1 4224047 TUPYHWSORBZBIA-UHFFFAOYSA-N 298.323 3.548 0 40 CHAB COCc1c(C(=O)Nc2ccccc2F)oc2ccccc12 5578067 GHFXVBHQZOMIOL-UHFFFAOYSA-N 299.301 3.971 0 40 CHAB O=C(NC(=O)c1ccco1)Nc1ccc(Cl)c(Cl)c1 5581024 NFIJWTIQOCLSES-UHFFFAOYSA-N 299.113 3.548 0 40 CHAB CCCCN(C)c1ncnc2ccc(Br)cc12 5596286 PTUPUMRNMNMJGU-UHFFFAOYSA-N 294.196 3.629 0 40 CHAB O=C1O/C(=C\c2nc3ccccc3s2)c2ccccc21 5604666 DFKRTBVTHQPVFS-LCYFTJDESA-N 279.320 3.965 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2Br)o1 6278976 YEVLLJIQOHYUAQ-UHFFFAOYSA-N 280.121 3.603 0 40 CHAB O=C1N[C@H](c2ccc(Cl)cc2Cl)Nc2ccccc21 9549627 QMGHPKAGSIZNHG-CYBMUJFWSA-N 293.153 3.848 0 40 CHAB COc1ccc([C@H](NC(=O)NC2CCCC2)C(C)C)cc1 10036174 TYGGQQUSUJYLFB-MRXNPFEDSA-N 290.407 3.634 0 40 CHAB Cc1ccc(SCC(=O)N(C)C2CCCCC2)cc1 10231412 OZNGAOUMDIDFKS-UHFFFAOYSA-N 277.433 3.878 0 40 CHAB COc1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 10403852 CIZWVPBQNLLXLR-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccc(Cl)cc2)c1 11631669 ZMKICALUILMFCB-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccsc1 12821520 FMLKTYHACGRTPA-VHSXEESVSA-N 277.311 3.599 0 40 CHAB CC(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1 13215333 IBWUQGUKVQLDPY-UHFFFAOYSA-N 290.370 3.861 0 40 CHAB CCc1cccc(C)c1NC(=S)NC1CCCC1 13788996 NLRYALYWUBNSTL-UHFFFAOYSA-N 262.422 3.786 0 40 CHAB C[C@H]1CCCC[C@@H]1N1CCN(Cc2ccccc2F)CC1 19359627 NZOCCSUBAZMUQL-YJBOKZPZSA-N 290.426 3.522 0 40 CHAB Cc1cc2nc(C(=O)O)c(-c3ccccc3)nc2cc1C 26275760 WRFNONZBCABYOS-UHFFFAOYSA-N 278.311 3.612 0 40 CHAB CCSc1nsc(NC(=O)c2ccc(Cl)cc2)n1 28049352 DWVAQNNSOIEBAY-UHFFFAOYSA-N 299.808 3.556 0 40 CHAB O=C(N/C=C/c1ccccc1)c1ccc2ccccc2n1 28628410 BJMKGSJNUGHIHL-OUKQBFOZSA-N 274.323 3.636 0 40 CHAB CCN(CC)Cc1coc(-c2ccc(Cl)cc2)n1 40005787 WVOMMOCUXVLVPO-UHFFFAOYSA-N 264.756 3.837 0 40 CHAB NC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 40545590 VPNOZEXUCGXWJZ-UHFFFAOYSA-N 289.640 3.718 0 40 CHAB CC[C@@H](C)c1ccc(O[C@H]2CCNC2)c(Cl)c1 42775093 RJAVNZAOVOORKZ-PWSUYJOCSA-N 253.773 3.594 0 40 CHAB in-vitro Cc1ccc(C)c(C(=O)c2cccc(C3OCCO3)c2)c1 43212552 ABQKZTOKCOEWRW-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB Cc1ccc(CN(C(=O)Cc2cccs2)C(C)C)o1 54212196 YMMPQCSTABPNAA-UHFFFAOYSA-N 277.389 3.629 0 40 CHAB CC(C)c1nn(C)c(Cl)c1CNCCc1ccccc1 69645262 YTDHSAQPSXOGRZ-UHFFFAOYSA-N 291.826 3.529 0 40 CHAB Cc1ccc(-c2[nH]ncc2C(=O)NC2CCC(C)CC2)cc1 71768893 ZIJLXJSGXJZOSZ-UHFFFAOYSA-N 297.402 3.694 0 40 CHAB CCCNc1ccc([C@@H]2CCCCN2C(C)C)cn1 72213214 BIYOHDXNXRKWML-HNNXBMFYSA-N 261.413 3.839 0 40 CHAB COC[C@@H](OCC(C)C)c1ccc(Br)cc1 72220318 LCHSJGZVZJQEJJ-CYBMUJFWSA-N 287.197 3.809 0 40 CHAB CC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 88226831 PMELHOPKXDYEOE-QGZVFWFLSA-N 285.774 3.986 0 40 CHAB COc1cccc(C2=NO[C@@H](c3ccccc3)C2)c1 95116806 OOHKXYKNXLGXTM-MRXNPFEDSA-N 253.301 3.561 0 40 CHAB Cc1ncsc1CNc1cnn(CCC(C)C)c1C 95984313 CPONNLGGJWUUBN-UHFFFAOYSA-N 278.425 3.615 0 40 CHAB Cc1noc(C)c1NC(=O)N(C)Cc1cc2ccccc2o1 96445947 XIBAKJSZROGAEV-UHFFFAOYSA-N 299.330 3.702 0 40 CHAB C[C@@H](Nc1cccc([S@](C)=O)c1)c1ccccc1F 97045871 IUVBAVQXPLZJHS-NSPYISDASA-N 277.364 3.736 0 40 CHAB COc1cc(C)ccc1OC(=O)/C=C1\CC[C@H](C)C1 98056419 JNOBTMXQURXVIM-CDDSVFCYSA-N 260.333 3.655 0 40 CHAB Cc1nn(Cc2ccccc2)c(Cl)c1CNCC(C)C 98081498 VKYBRVRZAIEJLZ-UHFFFAOYSA-N 291.826 3.639 0 40 CHAB Cc1c(C(N)=O)c2ccccc2n1Cc1ccc(Cl)cc1 216947193 YKEIUJFIBKCFJY-UHFFFAOYSA-N 298.773 3.750 0 40 CHAB COC(=O)c1cccn1-c1ccc(Cl)cc1Cl 223727768 PTDWBONAPZOFEY-UHFFFAOYSA-N 270.115 3.571 0 40 CHAB CC[C@@H](NC(=S)Nc1cccnc1)c1ccc(C)cc1 225486439 NIAJOBFYZRIQKK-OAHLLOKOSA-N 285.416 3.828 0 40 CHAB CCC[C@](C)(OC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225613341 QFGZHIGPTCFNDJ-KRWDZBQOSA-N 293.407 3.846 0 40 CHAB COc1cc(C(=O)CCc2ccccc2)cc(F)c1F 575358457 XQZTWTZRXJSVNT-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB O=C(c1cc(Br)ccc1Cl)C(F)(F)F 604221489 AHIKVAHGOTXKEG-UHFFFAOYSA-N 287.462 3.848 0 40 CHAB COc1ccc([C@H](C)c2cc3c(cc2OC)OCO3)cc1 43981 NBIHTBVOSDHTJS-NSHDSACASA-N 286.327 3.584 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2cc(C)ccc2C)c1 44478 UGBLSVCBWDXSCG-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CCOc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 146682 OGEANYMEIIDZRB-UHFFFAOYSA-N 276.719 3.958 0 40 CHAB CC1(C)CCC[C@]2(C)[C@@H]3CC(=O)O[C@@]3(C)CC[C@H]12 155031 IMKJGXCIJJXALX-KNPMLCFXSA-N 250.382 3.935 0 40 CHAB COc1ccccc1NC(=O)COc1c(C)cc(C)cc1C 315032 GTGXVZDLMADHTA-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB CC(=O)c1nc(-c2ccc(Cl)cc2)n2ccccc12 1463025 VIVCGAHNFSYQHR-UHFFFAOYSA-N 270.719 3.857 0 40 CHAB Cc1ccc(N(C)C(=O)Nc2ccccc2)c(C)c1 1675786 JHKKCYDFPRLYDG-UHFFFAOYSA-N 254.333 3.972 0 40 CHAB CCOC(=O)CCCC(=O)c1cccc(Cl)c1Cl 2580334 AHVRXUCTWJXLNS-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB CCOc1ccc(C(=O)c2ccccc2Cl)cc1 3062281 QCHLFZYUTATZMU-UHFFFAOYSA-N 260.720 3.970 0 40 CHAB Cc1cc(C)c2[nH]c(=O)c(CNC3CCCCC3)cc2c1 4130494 OKVVPWYKCFFTMG-UHFFFAOYSA-N 284.403 3.567 0 40 CHAB COc1ccc(N(N=O)c2ccc(OC)cc2)cc1 4726661 LFYGAGWUDURWIE-UHFFFAOYSA-N 258.277 3.523 0 40 CHAB CC(C)CNCc1cccn1Cc1ccccc1Cl 5074439 QXIFDEYWTNOGHA-UHFFFAOYSA-N 276.811 3.935 0 40 CHAB CCc1cccc(NC(=O)c2cccc(COC)c2)c1 5279110 WVEAGHNHUQELBE-UHFFFAOYSA-N 269.344 3.648 0 40 CHAB Cc1cc(C(=O)NCc2ccc(F)cc2)c2ccccc2n1 5466975 STBVALRTVQARAA-UHFFFAOYSA-N 294.329 3.612 0 40 CHAB CCc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1 5515971 FCIKHIRFFGJVGM-UHFFFAOYSA-N 294.354 3.820 0 40 CHAB COc1ccc(NC(=O)NC2CCCCC2)cc1Cl 6847104 NQAQQFFCDMULQL-UHFFFAOYSA-N 282.771 3.803 0 40 CHAB O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2)cc1 7382845 NNXMMNJTCFNFIF-UHFFFAOYSA-N 284.334 3.678 0 40 CHAB O=C(Nc1cccc2ncccc12)c1cc(F)cc(F)c1 7757850 CMJWAICQJJNJQC-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 7914387 JWEDDPWZUPEHCB-UHFFFAOYSA-N 257.358 3.798 0 40 CHAB O=C(CCC(=O)c1cccs1)Nc1ccc(F)c(F)c1 8035251 VPBGCFKEZWVQLP-UHFFFAOYSA-N 295.310 3.628 0 40 CHAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccco1 8359812 RGBQFHREJPQKAD-VIFPVBQESA-N 283.249 3.789 0 40 CHAB Fc1ccc(CCNC/C=C/c2ccccc2)cc1 8723265 BTASBOXZUDJYRI-QPJJXVBHSA-N 255.336 3.671 0 40 CHAB COc1ccc([C@@H](N[C@H]2CCOC(C)(C)C2)C(C)C)cc1 9047383 LLBTWBHSCBMVQB-RDJZCZTQSA-N 291.435 3.940 0 40 CHAB Cc1ccc(OCCn2c(C=O)nc3ccccc32)cc1C 11735062 AKVYBZYCGLNHIE-UHFFFAOYSA-N 294.354 3.545 0 40 CHAB CCOC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1C 13649254 KZBJAOIZQNEMHS-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)s1 14228933 RBKWZTVYZGTNPB-UHFFFAOYSA-N 253.273 3.587 0 40 CHAB O=C1CS[C@H](c2cccc(Cl)c2Cl)N1C1CC1 17197967 SHRKBROVTDGOQA-GFCCVEGCSA-N 288.199 3.730 0 40 CHAB COc1cccc([C@H](C)NCCc2ccccc2F)c1 19912730 UKWSJVGRQJVQCA-ZDUSSCGKSA-N 273.351 3.728 0 40 CHAB Cc1cccc(N[C@@H](C)C(=O)Nc2ccccc2F)c1 21818447 BFMFPPISVZCCSX-LBPRGKRZSA-N 272.323 3.573 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(C)c(C)s2)C1(C)C 24541722 RBPJHZRHEPDCCT-RYUDHWBXSA-N 278.421 3.937 0 40 CHAB Cc1ccsc1CNC(=O)c1cc(Cl)ccc1F 29236081 OELHIKPXWJNSSQ-UHFFFAOYSA-N 283.755 3.779 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(OCc2ccccn2)c1 31453401 LPTRMJPGYLIZPT-UHFFFAOYSA-N 284.359 3.645 0 40 CHAB O=C(Cn1ccc2ccccc21)Nc1ccc2[nH]ccc2c1 32124400 JPVNNWYGENCUGM-UHFFFAOYSA-N 289.338 3.761 0 40 CHAB biogenic O=C(CCCc1nc2ccccc2o1)NC1CCCCC1 32148946 XOGQFGLPTXPYPH-UHFFFAOYSA-N 286.375 3.599 0 40 CHAB Cc1ccc(C(=O)c2ccc(F)c(F)c2)cc1F 37357818 JUTADGRVVRFGDZ-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB C[C@H](c1cccs1)N(C)C(=O)c1ccc(F)cc1 37979217 GSLGCYWIMLDQPR-SNVBAGLBSA-N 263.337 3.720 0 40 CHAB O=C(Cc1cccs1)c1cccc(OC(F)F)c1 38126104 TZDNLJPSWSXGSQ-UHFFFAOYSA-N 268.284 3.775 0 40 CHAB Cc1ccc(C)c(CC(=O)Nc2cccc(F)c2)c1 38772293 YELOCNVRXCWZMP-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)NCc1ccccn1 43313627 WZDKUEMURBZDCV-UHFFFAOYSA-N 283.375 3.835 0 40 CHAB Cc1cccnc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 46600153 VJEXXOFWPBKRAO-VIFPVBQESA-N 295.795 3.988 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)[C@H](C)CC 58394337 XXBOBSLQLJHXNH-PWSUYJOCSA-N 251.395 3.630 0 40 CHAB CN(Cc1ccco1)C(=O)c1cc2c(s1)CCCCC2 58873383 UUEMWXRYNHSBPP-UHFFFAOYSA-N 289.400 3.882 0 40 CHAB O=C(Cc1cccc(Cl)c1)NCCCc1ccccc1 67788559 KFCXYPCZEIQTOB-UHFFFAOYSA-N 287.790 3.632 0 40 CHAB Cc1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1C=O 71645388 SNDUTTDJKDVRAK-UHFFFAOYSA-N 288.656 3.665 0 40 CHAB COc1ccccc1C(C)(C)NCc1ccsc1 71799219 VBFJHURITMHLPJ-UHFFFAOYSA-N 261.390 3.782 0 40 CHAB CCCCN1CCCC[C@@H]1c1ccc(N(C)CC)nc1 72212740 LAYBPLYXAQKWOF-MRXNPFEDSA-N 275.440 3.865 0 40 CHAB CCCCN1CCCC[C@H]1c1ccc(OC)nc1C 72218101 PGEDJJHDWPCGSS-HNNXBMFYSA-N 262.397 3.726 0 40 CHAB Cc1ccc(Oc2ccc(/C=C/C(=O)O)o2)cc1C 72228413 OFTNVSCMIJGFBG-FNORWQNLSA-N 258.273 3.787 0 40 CHAB Oc1ccccc1-c1ccnc2c(-c3ccccc3)cnn12 72403275 OPEFXIZCTKEJTE-UHFFFAOYSA-N 287.322 3.769 0 40 CHAB Cc1ccc(CN[C@H](C)CC(=O)Nc2ccccc2)s1 78432557 LLBWUVWXYOTRRH-GFCCVEGCSA-N 288.416 3.563 0 40 CHAB O=C(O)C1(Cc2ccc(F)cc2)CCC(F)(F)CC1 83351193 UPEDUPBRPAGIPB-UHFFFAOYSA-N 272.266 3.649 0 40 CHAB CN(CCc1ccc(Br)cc1)C1CCCC1 89346442 XQIPMYAIKDIZIB-UHFFFAOYSA-N 282.225 3.866 0 40 CHAB COc1cc(Br)ccc1OCCC(C)C 96543405 VHQLNCGPBQODLR-UHFFFAOYSA-N 273.170 3.883 0 40 CHAB C[C@H]1CCCN([C@H](C)C(=O)Nc2cccc3ccccc23)C1 106521601 KGAQXFONLOFKIA-LSDHHAIUSA-N 296.414 3.899 0 40 CHAB CC(=O)c1cc(Br)cc(OC(F)(F)F)c1 201703629 UGVJLEHVWNKRTQ-UHFFFAOYSA-N 283.043 3.550 0 40 CHAB CCOC(=O)c1sc(Nc2ccc(CC)cc2)nc1C 223452233 LZXGXHVAXWJJHN-UHFFFAOYSA-N 290.388 3.934 0 40 CHAB COc1cc2c(cc1C(=O)O)[C@@H](C)CC(C)(C)N2C(C)C 223779223 AUZCNDCYDMPEDO-NSHDSACASA-N 291.391 3.894 0 40 CHAB COCc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OC 224395745 YYLZUQBAOHNTSQ-UHFFFAOYSA-N 299.370 3.711 0 40 CHAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 224415157 YWXQZQYJDHJGAV-CQSZACIVSA-N 299.370 3.547 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CC(=O)Oc1ccccc1 245239335 HWMGNZIDLAPOLP-SUNYJGFJSA-N 286.371 3.624 0 40 CHAB NC1(c2cccc3c(Br)cccc23)CC1 258436171 HEZNMIZNITWAMS-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB O=C(N[C@@H]1C[C]2CCC1CC2)c1cccc2c1CCCC2 1560410009 JBYOTBYVRXSGFI-GOSISDBHSA-N 282.407 3.832 0 40 CHAB FC(F)CNc1ncc(-c2ccc3occc3c2)cn1 2086865018 AVCOOMSSGFDDIX-UHFFFAOYSA-N 275.258 3.567 0 40 CHAB COc1cccc(C(=O)Nc2nc3ccccc3s2)c1 30033 XGJCCDDANIQYMA-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB OCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 176816 HNKJTMMTUUZHMP-UHFFFAOYSA-N 290.322 3.778 0 40 CHAB CC(C)(C)NC(=O)C(c1ccccc1)c1ccccc1 354147 XNAGMTVVJBQTBA-UHFFFAOYSA-N 267.372 3.733 0 40 CHAB CCc1ccccc1NC(=O)COc1cc(C)ccc1C 363717 NDRVUWZTLSRHNO-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1oc(C)c2c(=O)cc(-c3cccs3)cc(O)c12 525891 ZHNWPBYBVNZJTJ-UHFFFAOYSA-N 272.325 3.844 0 40 CHAB biogenic CCOc1ccccc1Cn1c(=O)sc2ccccc21 814281 AVHQXEZGOGMNOE-UHFFFAOYSA-N 285.368 3.510 0 40 CHAB Cc1nc2cc(COC(=O)c3ccccc3)ccc2s1 3236736 PTHQPFZBLIXDKD-UHFFFAOYSA-N 283.352 3.962 0 40 CHAB CC(C)[C@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1 3292896 UOXFRCKXFVMKBN-HNNXBMFYSA-N 291.778 3.989 0 40 CHAB Cc1ccc(Cn2cc(SC(=N)N)c3ccccc32)cc1 3866086 AYWMOCBHKLFSGD-UHFFFAOYSA-N 295.411 3.984 0 40 CHAB C1CCN(C[C@@H]2CO[C@]3(CC[C@@H]4CCCC[C@@H]4C3)O2)CC1 4713520 XBGMCAWJVPHBRD-BSDSXHPESA-N 293.451 3.574 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccccc2)c(C)c1 8050176 REGGSKNMBJIREL-INIZCTEOSA-N 297.398 3.729 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)o1 8111471 UIBFGRPQGHPBHC-IHIBIECDSA-N 293.322 3.748 0 40 CHAB c1cc2c(cc1-c1csc(NC3CC3)n1)OCCCO2 8297356 FGWULBKQCLVIEX-UHFFFAOYSA-N 288.372 3.546 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)N[C@H](C)c1cccnc1 13331951 CAYRFDCUQMPMHO-LLVKDONJSA-N 289.766 3.926 0 40 CHAB Cc1cccc(OCc2nc3ccccc3[nH]2)c1C 15669935 WFEUQUKJXFYDOO-UHFFFAOYSA-N 252.317 3.759 0 40 CHAB Cc1ccccc1COc1c(C)cc(C(=O)O)cc1C 20424775 JXAYLANNZFEEDT-UHFFFAOYSA-N 270.328 3.889 0 40 CHAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 20490143 BTBVGOWTLJHTCR-INIZCTEOSA-N 297.398 3.868 0 40 CHAB C[C@@H](NC(=O)c1cccnc1Sc1ccccc1)C1CC1 23040527 JPAPKGHDYCJEFW-GFCCVEGCSA-N 298.411 3.761 0 40 CHAB O=C(Nc1ccccc1O)c1cccc(Cl)c1Cl 23053533 UFGUOQRPWPZJCL-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB CC(=O)Nc1cccc(-c2noc(-c3ccccc3F)n2)c1 28221723 JJZNCTHMOOWBGI-UHFFFAOYSA-N 297.289 3.501 0 40 CHAB CCCn1nc(C)cc1NC(=O)CCC1CCCCC1 28305720 KMARIYIJZPCYCS-UHFFFAOYSA-N 277.412 3.901 0 40 CHAB CCc1ccc(-c2nc3cc(C)ccn3c2CN(C)C)cc1 31933037 FRXQWNRHRVSEDJ-UHFFFAOYSA-N 293.414 3.934 0 40 CHAB CCN(C(=O)CSc1ccc(O)cc1)C1CCCCC1 37995567 LEKNFYQCNANLMG-UHFFFAOYSA-N 293.432 3.666 0 40 CHAB Clc1ccc(-c2nc(Cl)c3c(n2)CCC3)cc1 38314301 RENVKOKCEONDMA-UHFFFAOYSA-N 265.143 3.939 0 40 CHAB C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(Cl)s1 40074602 GFHZMNAHFBXZJL-ZJUUUORDSA-N 287.812 3.538 0 40 CHAB C[C@H](NC(=O)Nc1nccs1)c1ccccc1Cl 42736605 BPJJPRIIQPVHNO-QMMMGPOBSA-N 281.768 3.679 0 40 CHAB CCOC(=O)c1ccc(COc2cc(F)ccc2F)cc1 43503493 DZVGFBRVKZSNRK-UHFFFAOYSA-N 292.281 3.721 0 40 CHAB O=C(NCc1ccc(F)cc1F)Nc1ccccc1Cl 44845527 QXIBSPXSVVKGQT-UHFFFAOYSA-N 296.704 3.940 0 40 CHAB O=C(Nc1ccccc1-c1cccs1)[C@@H]1CCCO1 48333678 GFDXJEIYVJDUSV-ZDUSSCGKSA-N 273.357 3.533 0 40 CHAB O=C1C[C@@H](c2ccc(Cl)cc2)c2ccc(O)cc2N1 66089336 IFKZWMMWLRQPAW-ZDUSSCGKSA-N 273.719 3.520 0 40 CHAB CCOc1cc(C(=O)Nc2c(C)cccc2C)ccc1OC 69048473 ZTKCYPQEZGRGIA-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB c1ccc(CCCSCc2nnc(C3CC3)o2)cc1 69774658 WRWKNFGIKSVDAX-UHFFFAOYSA-N 274.389 3.813 0 40 CHAB C[C@@H](Sc1ccc(-n2cccn2)nn1)c1ccccc1 70635247 MJVMWCNLRICSBP-GFCCVEGCSA-N 282.372 3.516 0 40 CHAB CCC[C@@H]1CCCN(C(=O)c2cccc3cn[nH]c23)CC1 71185228 PRAJFEZHDADJQP-CYBMUJFWSA-N 285.391 3.605 0 40 CHAB Cc1ncc(NC(=O)c2ccc(F)cc2)c(C)c1Cl 72265138 BKGFTKFKCYUBRQ-UHFFFAOYSA-N 278.714 3.743 0 40 CHAB Cc1cc([C@@H](C)NC(=O)c2ccncc2Cl)c(C)s1 73846999 BGILVLHLUSTVKM-SECBINFHSA-N 294.807 3.904 0 40 CHAB CCc1nc(C)c([C@@H](C)N(C)Cc2cccnc2)s1 76040642 OYFITAIAKMLPSI-GFCCVEGCSA-N 275.421 3.602 0 40 CHAB CC(C)(C)OC(=O)c1c(F)cc(Br)cc1F 89065115 KKTKGKORENKLNV-UHFFFAOYSA-N 293.107 3.683 0 40 CHAB CO[C@H](C)c1cccc(NCc2nc3ccccc3n2C)c1 95428996 AJFZHCAQNTYBLP-CYBMUJFWSA-N 295.386 3.893 0 40 CHAB C[C@H](c1ccccn1)N(C)Cc1cc(-c2cccs2)on1 95977302 JTKHBJQDGQQRHQ-GFCCVEGCSA-N 299.399 3.991 0 40 CHAB Cc1csc([C@H](OC(=O)c2ccoc2)C(F)(F)F)n1 96456256 HXARRMFPODVXNZ-QMMMGPOBSA-N 291.250 3.505 0 40 CHAB Fc1cccc(CCNc2ncnc3cccc(F)c23)c1 108197745 KKUTXDPOLJCMFK-UHFFFAOYSA-N 285.297 3.563 0 40 CHAB O=C1C[C@H]2C=CC=C[C@H]2N1c1c(Cl)cccc1Cl 216645003 GGLIFNUEQAHJRB-BXKDBHETSA-N 280.154 3.841 0 40 CHAB COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1C 222960886 YTJAQXUFOFUUOK-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1 225605338 JABFENUZLBJFJV-QGZVFWFLSA-N 293.407 3.864 0 40 CHAB CCCNC(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225771141 MFRJKNKIGPUBPV-CQSZACIVSA-N 290.407 3.778 0 40 CHAB O=Cc1ccc2c(ccn2Cc2cccc(F)c2)c1 229645801 FPGBERKIGZQDQM-UHFFFAOYSA-N 253.276 3.641 0 40 CHAB CCCn1nc(C)cc1CNc1cnn(C2CCCC2)c1 256054766 XQIDMFIQAHZMFL-UHFFFAOYSA-N 287.411 3.525 0 40 CHAB CCOC(=O)CCc1c[nH]c2ccc(Cl)c(Cl)c12 259520473 SGRAZOAVWFCZDA-UHFFFAOYSA-N 286.158 3.970 0 40 CHAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccnc1 524732291 HCDHROPYJMYNEY-OAHLLOKOSA-N 297.383 3.563 0 40 CHAB CC(C)C(=O)N1CCCCCCCNCc2ccccc21 643588451 XFXLFTMSXSUJMF-UHFFFAOYSA-N 288.435 3.729 0 40 CHAB OCc1cc(Br)cc(OCc2ccccc2)c1 725325914 JYQMNNRLHALBAV-UHFFFAOYSA-N 293.160 3.520 0 40 CHAB CC(F)(F)COc1ccc(NCC(F)(F)F)cc1 1083811029 OEGQGFWWMWVYDD-UHFFFAOYSA-N 269.213 3.695 0 40 CHAB Cc1cccc(Nc2ncnc3c2ncn3C2CC2)c1C 2086865228 YEFNGBBSZAYGEB-UHFFFAOYSA-N 279.347 3.522 0 40 CHAB Cc1c(C(C)C)c(=O)oc2c3c4c(cc12)CCCN4CCC3 349452 QMEJFPVTINKOOV-UHFFFAOYSA-N 297.398 3.924 0 40 CHAB CSc1nc(C)c2c(n1)N(c1ccc(Cl)cc1)CC2 1639375 YKCZEKSHOYDPMM-UHFFFAOYSA-N 291.807 3.855 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 4026335 QADHLRWLCPCEKT-IGYHUTEBSA-N 290.447 3.671 0 40 CHAB biogenic Cc1ccc(O[C@@H](C)C(=O)NC2CCCCC2)c(C)c1 7040696 HLCONADIORYDGT-AWEZNQCLSA-N 275.392 3.520 0 40 CHAB O[C@@H](Cn1cnc2ccccc21)c1ccc2ccccc2c1 51086442 IOWLIZAHVBOLOF-IBGZPJMESA-N 288.350 3.923 0 40 CHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1ccsc1 37503754 HGAMFAVDAFNNOV-OAHLLOKOSA-N 297.383 3.602 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC1CCCCCC1 8494179 ANPGBPLYOCZBDE-KRWDZBQOSA-N 289.419 3.991 0 40 CHAB Cc1ccc2nc([C@H](C)NC(=O)c3ccccc3F)[nH]c2c1 1385895 UQVBQPPVDIMUCF-NSHDSACASA-N 297.333 3.501 0 40 CHAB CCOc1ccc(C(=S)NCc2ccccc2)cc1 9188082 RGDRMNSKEFPZQL-UHFFFAOYSA-N 271.385 3.551 0 40 CHAB C[C@H](O)[C@@H](C)S[C@H](C)Cc1nc2ccccc2s1 107512447 PDVVQDIJQNEKQB-OUAUKWLOSA-N 281.446 3.730 0 40 CHAB CSc1ccc(-c2nc(-c3ccccn3)no2)cc1 113708551 HKTAGRGWRNOBAV-UHFFFAOYSA-N 269.329 3.521 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(C)c(F)c2)c(C)c1 27170014 QDAPQAJBHLEELD-UHFFFAOYSA-N 271.335 3.681 0 40 CHAB CCn1ccc2cc(NC(=O)Nc3ccccn3)ccc21 58014831 PBTWZJGFAGQRTI-UHFFFAOYSA-N 280.331 3.700 0 40 CHAB C=CC(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 37790176 SCTUIPHWCLCMOQ-UHFFFAOYSA-N 282.073 3.719 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)NC2CCCCC2)c1 58969743 ADQYTFUENKEZBR-UHFFFAOYSA-N 289.419 3.946 0 40 CHAB CC[C@@H](C)c1nc(Cl)n(-c2ccc(F)cc2)n1 22125392 LPQBRTNAFWJUEM-MRVPVSSYSA-N 253.708 3.573 0 40 CHAB CN(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 55745753 TUPWVXYZUVKZQM-UHFFFAOYSA-N 263.699 3.756 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@H]2C(=O)c1ccccc1 100934364 IVDVAMTYPIOUEQ-PBFPGSCMSA-N 256.345 3.511 0 40 CHAB CCC(CC)(CC(=O)Nc1ccc(C)cc1C)C(=O)O 11163298 UBEIXJROENASGA-UHFFFAOYSA-N 277.364 3.523 0 40 CHAB Cc1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 11193620 SJFZXXNQXLWZIY-UHFFFAOYSA-N 279.383 3.847 0 40 CHAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 11203573 RJNZOESPDAXSSS-IBGZPJMESA-N 295.382 3.505 0 40 CHAB CCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 12758015 GAJHMKKHYFDTLD-UHFFFAOYSA-N 287.384 3.888 0 40 CHAB COc1ccccc1CCC(=O)c1cc(F)c(F)c(F)c1 2516487 KELDQKMEOAZGGO-UHFFFAOYSA-N 294.272 3.928 0 40 CHAB Cc1ccc2nc(S[C@@H](C(=O)O)c3ccccc3)[nH]c2c1 3848332 PRJIEAHSJLTVBI-CQSZACIVSA-N 298.367 3.789 0 40 CHAB S=c1[nH]cccc1-c1nc(-c2cccs2)no1 67172462 XTGJCYPKZCVHBS-UHFFFAOYSA-N 261.331 3.523 0 40 CHAB O=C(Nc1ccccn1)C1(c2ccc(Cl)cc2)CCC1 67183643 QGVZVFPJBJOKFC-UHFFFAOYSA-N 286.762 3.795 0 40 CHAB O=C(Nc1ccncc1)c1cc2ccccc2s1 9322653 GREOALMYPNDZON-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(/C=C2\N=C(c3cccs3)OC2=O)o1 8111627 RLBXTXHMPBIEPO-AETSXSFXSA-N 299.351 3.809 0 40 CHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cccs1 69348133 OXOFERUULNBVCK-MRVPVSSYSA-N 277.311 3.551 0 40 CHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 409010363 DNXTYJGVAJCYPG-KWINOFQJSA-N 279.336 3.661 0 40 CHAB Cc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(C)o1 8748124 KRDVXVDZKHYABB-UHFFFAOYSA-N 297.276 3.845 0 40 CHAB COc1ccc(-c2n[nH]c(S[C@H]3C=CCCC3)n2)cc1 83950110 XQRDDTPZVCWRPH-ZDUSSCGKSA-N 287.388 3.681 0 40 CHAB Fc1ccc(-c2csc(NCc3ccon3)n2)cc1 89793832 ZZIDFGKWQQBQLY-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB FC(F)C(F)(F)COc1ccc(Br)cc1 20518689 SXWZBTQRQUAUAY-UHFFFAOYSA-N 287.050 3.728 0 40 CHAB CC(=O)OC[C@@]12COC(=C(C)C)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 296491 XPUXDIZNNJHBTE-GZIXRCOHSA-N 278.392 3.708 0 40 CHAB biogenic O=C(Nc1nnc(-c2cccs2)o1)Nc1cccs1 38671428 LFFKIDXWPNCXQI-UHFFFAOYSA-N 292.345 3.504 0 40 CHAB CC(=O)N1CCCC[C@H]1c1cccnc1Oc1ccccc1 72212234 WEZLEGAGYQQJFL-KRWDZBQOSA-N 296.370 3.947 0 40 CHAB c1ccc2c([C@@H]3CCCC[C@@H]3NC3CC3)c[nH]c2c1 72210197 PANGFHOBYNCCJF-YOEHRIQHSA-N 254.377 3.946 0 40 CHAB CCCCC[C@H](CN(C)C)[C@H](O)/C=C/c1ccccc1 33917862 DEETXEARXAKUHP-XNVVNFSMSA-N 275.436 3.819 0 40 CHAB CCN1CCCC[C@H]1c1cccnc1NC1CCC1 72213915 QIQPXMKILYEWBF-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB CCOC(=O)c1cn2c(C(C)(C)C)cc3ccccc3c2n1 78404182 SCWIXTHGIFEHFT-UHFFFAOYSA-N 296.370 3.962 0 40 CHAB CCOC(=O)c1cccc(COc2ccccc2C)c1 225327399 CCXGURQUAQXAPB-UHFFFAOYSA-N 270.328 3.751 0 40 CHAB O=C(O)[C@@H](Cc1ccccc1F)Sc1ccccc1 225052560 BOZBQDIYBDNVKM-CQSZACIVSA-N 276.332 3.614 0 40 CHAB Fc1ccc(C2=NCc3ccccc3-n3cccc32)cc1 225372883 GCAUWKDUICSOTP-UHFFFAOYSA-N 276.314 3.967 0 40 CHAB COc1ccc(CCC(=O)N2CCc3ccccc32)cc1C 225409836 AVKGORIKZJHDIR-UHFFFAOYSA-N 295.382 3.526 0 40 CHAB O=C(O)c1sc(Cl)c(Cl)c1OCC1CC1 96511024 WXESMRTYVXHICY-UHFFFAOYSA-N 267.133 3.542 0 40 CHAB CCOC(=O)[C@@H](c1ccc2ccccc2c1)[C@H]1CCCCN1 606451961 OTQVTBPHZRARTL-MSOLQXFVSA-N 297.398 3.629 0 40 CHAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccoc1 390827616 ZULBKZKTVBQOMK-ZDUSSCGKSA-N 289.381 3.922 0 40 CHAB CCC[C@H]1C[C@@H](c2nc(-c3nc(C)cs3)no2)CCO1 390833317 FZAHYOGKOUEEEV-QWRGUYRKSA-N 293.392 3.564 0 40 CHAB Cc1ccc(C(=O)NC2CCCCC2)cc1Cl 60512830 ABNCPIGIFYWBCO-UHFFFAOYSA-N 251.757 3.711 0 40 CHAB C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1 5322542 VXUBAPILIIDSCR-NSHDSACASA-N 282.318 3.798 0 40 CHAB CCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1 5616884 OCWQYVWBTSFWLH-UHFFFAOYSA-N 299.370 3.827 0 40 CHAB COc1cccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)c1 13048036 RSEMZJNZEJWSNB-NSHDSACASA-N 288.322 3.717 0 40 CHAB CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 13126928 LEZRECMJLAVILH-UHFFFAOYSA-N 284.340 3.627 0 40 CHAB Cc1cccc(-n2c(S)nnc2-c2ccc(O)cc2)c1C 13533934 DZMHRAOKADUTJO-UHFFFAOYSA-N 297.383 3.545 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccc(F)c(F)c2)cc1 13787593 QDMWAPXNMRISKF-UHFFFAOYSA-N 292.354 3.760 0 40 CHAB CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)c1ccccc1 16968532 FNAJCZZMYFOYOU-GDNBJRDFSA-N 296.322 3.519 0 40 CHAB COc1ccc(-c2[nH]c3cc(OC)ccc3c2C=O)cc1 13782182 OISNBKYGHVZZNL-UHFFFAOYSA-N 281.311 3.665 0 40 CHAB C[C@@H](SC1CCCC1)C(=O)Nc1ccc(Cl)cn1 5896059 VBBMPDKGEHYAJM-SECBINFHSA-N 284.812 3.738 0 40 CHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccoc1 11918128 QQLRHRYPWBOCHJ-UHFFFAOYSA-N 285.299 3.573 0 40 CHAB CCNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 12809354 BCOFCUZRRJVBKO-LLVKDONJSA-N 265.422 3.649 0 40 CHAB O=[S@](Nc1ccc(Br)cc1)c1ccccc1 4958234 PDBHLUWWGYDXCH-MRXNPFEDSA-N 296.189 3.584 0 40 CHAB O[C@@H]1CCC[C@H](NCc2ccc(-c3ccccc3)s2)C1 37321147 QTVQWACWDSTERV-LSDHHAIUSA-N 287.428 3.808 0 40 CHAB COc1ccc(-c2cc([C@@H]3CCCCCN3)no2)cc1 12185172 SNDXHBVPZYXADZ-AWEZNQCLSA-N 272.348 3.555 0 40 CHAB CC(=O)NCCCN1c2ccccc2Sc2ccccc21 40089015 YBFYESWUEPMTDS-UHFFFAOYSA-N 298.411 3.816 0 40 CHAB COc1ccc(C(C)=O)cc1CN1CCC[C@@H]1c1ccc[nH]1 40549105 VGPWZOALMNYLGL-QGZVFWFLSA-N 298.386 3.563 0 40 CHAB CC(C)OCc1ccccc1CNC(=O)/C=C/c1ccco1 32796307 VNEPCPGUJIAEBB-MDZDMXLPSA-N 299.370 3.534 0 40 CHAB CC[C@@H]1NC(=O)c2ccccc2N1c1cccc(Cl)c1 481311 VBYRNLRQVMTJIE-OAHLLOKOSA-N 286.762 3.958 0 40 CHAB O=C(Nc1ccccc1OC(F)(F)F)c1cccs1 184830 OHJCDJISGHJAPQ-UHFFFAOYSA-N 287.262 3.899 0 40 CHAB O=C(NCc1ccccn1)c1ccc(-c2ccccc2)cc1 362133 GMNRCLYLNQMYQD-UHFFFAOYSA-N 288.350 3.679 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1ccccc1Cl 1466471 IZQJCOBZRPQHEG-NSHDSACASA-N 251.757 3.745 0 40 CHAB CCOP(=O)(Cc1cn(C)c2ccccc12)OCC 2576831 LVROGTVOJZRELR-UHFFFAOYSA-N 281.292 3.944 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1 3365470 XVMHVQQEPLHFDF-UHFFFAOYSA-N 298.773 3.680 0 40 CHAB COc1ccc(-c2cc(CN3CCC[C@@H](C)C3)on2)cc1 4776602 CFGZHDKSMHPDJF-CYBMUJFWSA-N 286.375 3.582 0 40 CHAB CCC(CC)C(=O)NCc1nc(-c2ccccc2)cs1 6881557 UPDLAHDDWJYRCA-UHFFFAOYSA-N 288.416 3.863 0 40 CHAB COc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7382973 QHJHHPGUUFXUAI-UHFFFAOYSA-N 296.370 3.548 0 40 CHAB Cc1ccc(N[C@@H](C)C(=O)Nc2nc(C)cs2)c(C)c1 7460063 AEAHYZOGXOIYRC-LBPRGKRZSA-N 289.404 3.507 0 40 CHAB C[C@H]1CCC[C@@H](C)N1Cc1cn2ccc(Cl)cc2n1 9086852 RVOOYRHXMVJKKP-TXEJJXNPSA-N 277.799 3.751 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c(O)c1 10123602 MEJYZJINQXBUNI-INIZCTEOSA-N 299.395 3.665 0 40 CHAB CCc1ccc(CCC(=O)NCCc2ccccc2)cc1 10365364 HHLGVAPAVHTSMN-UHFFFAOYSA-N 281.399 3.541 0 40 CHAB NC(=S)c1ccc(Oc2ccc(Cl)cc2)cc1 11993386 BVEDORALXGJETK-UHFFFAOYSA-N 263.749 3.767 0 40 CHAB O=c1c2ccccc2[nH]c(=S)n1CCC1CCCC1 12541004 LNEGYVYXAWUVKG-UHFFFAOYSA-N 274.389 3.639 0 40 CHAB O=C(NC1CCCCC1)[C@@H]1CCCc2ccccc21 13011971 BRZYFIUIHOQJHL-MRXNPFEDSA-N 257.377 3.555 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccccc1Cl 13821421 XZOJJSFXFSLDOO-VIFPVBQESA-N 256.802 3.815 0 40 CHAB c1ccc(COc2ccc(OC[C@H]3CCCNC3)cc2)cc1 14631247 ZGZUSJFOLZMTLE-KRWDZBQOSA-N 297.398 3.644 0 40 CHAB CSC(=N)NC(c1ccccc1)c1ccccc1 16970166 ZYDJYANHPBDRBI-UHFFFAOYSA-N 256.374 3.663 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1ccc(F)cc1Cl 19433751 KRAAHFBPDHSEJZ-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB Cc1ccc(N)cc1NC(=O)c1ccccc1OCC(C)C 19736115 WTBPCAFGGGHBAN-UHFFFAOYSA-N 298.386 3.864 0 40 CHAB CN(C(=O)c1ccc(C(C)(C)C)cc1)C1CCCC1 20456069 HYVUPBNIUOKXBP-UHFFFAOYSA-N 259.393 3.999 0 40 CHAB Cc1nc(NCC(C)C)c2c3c(sc2n1)CCC3 27738887 QHAOHLONNKGMPE-UHFFFAOYSA-N 261.394 3.556 0 40 CHAB COCCN(CC(C)C)C(=O)Nc1ccc(Cl)cc1C 40096444 YHOPEAAREIQJCH-UHFFFAOYSA-N 298.814 3.785 0 40 CHAB CCCNC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 43467611 ILASRHZKRFCYFY-KRWDZBQOSA-N 282.387 3.794 0 40 CHAB CCC(=O)Nc1ccc(Cl)c(NC(=O)N(CC)CC)c1 48512494 JSEBEFGOHYKFKG-UHFFFAOYSA-N 297.786 3.562 0 40 CHAB Brc1ccccc1COCc1ccco1 49600908 AYTJAEBBZHFERZ-UHFFFAOYSA-N 267.122 3.759 0 40 CHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)[C@H]1CC=CCC1 54298884 VZHRYSHEBIHMBX-KBPBESRZSA-N 294.398 3.970 0 40 CHAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccoc1 57547445 HQHLRMSVHGGEKH-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB CC[C@@H](C)C(=O)N1CCc2sccc2[C@H]1CC 58394336 XXBOBSLQLJHXNH-ZYHUDNBSSA-N 251.395 3.630 0 40 CHAB COc1ccc(C(=O)c2ccc(F)c(Cl)c2)c(OC)c1 62791745 HOJZMIKRQUBRLJ-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)C1CC1 67067759 PBJPECZSFNEIID-CYBMUJFWSA-N 298.411 3.764 0 40 CHAB C[C@H](CNC(=O)Cc1cccc(Cl)c1)c1ccccc1 67793202 UYIPBTOOUKMPBA-CYBMUJFWSA-N 287.790 3.802 0 40 CHAB CSc1cccc([C@H](N)c2ccc(F)c(F)c2)c1 71790395 LVQVJODXVMBRLF-AWEZNQCLSA-N 265.328 3.735 0 40 CHAB C[C@@H]1CN(Cc2nccn2CC(F)(F)F)c2ccccc21 71797100 KOQTWHVCKOZTLL-LLVKDONJSA-N 295.308 3.569 0 40 CHAB CCN(C)c1ncccc1[C@@H]1CCCCN1CC(C)C 72212798 UIZGWMKTAPBOJW-INIZCTEOSA-N 275.440 3.721 0 40 CHAB Cc1cccc(Cl)c1NCC(=O)N(C)c1ccccc1 72312412 CDMQMSAOZQWDJW-UHFFFAOYSA-N 288.778 3.723 0 40 CHAB CC(C)CO[C@@H]1C[C@H](OC(=O)c2ccccc2F)C1(C)C 84544350 AWIRHGANWZPAOK-CABCVRRESA-N 294.366 3.822 0 40 CHAB C[C@@H]1CCCN1C(=O)CCc1cccc(Cl)c1Cl 84697712 IAOLYBHUNCUBCS-SNVBAGLBSA-N 286.202 3.937 0 40 CHAB FC1(F)Oc2cc(Cl)c(Cl)c(Cl)c2O1 91252131 YQMFODLXCKIKCZ-UHFFFAOYSA-N 261.438 3.968 0 40 CHAB O=Cc1ccc(OCCC(F)(F)F)cc1Br 95081076 GFAMEZZMMYQTPT-UHFFFAOYSA-N 297.070 3.593 0 40 CHAB C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccccc1Cl 95389744 PVWOAYIOLDHXGL-CHWSQXEVSA-N 295.810 3.676 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2ccc(Br)cc2)C1 95915753 RRXSUBUTPQBJIN-PHIMTYICSA-N 268.198 3.931 0 40 CHAB C[C@H]1CCCC[C@H]1OCCNc1cnc2ccccc2n1 95951819 QMWNOOZMQJMRQJ-XJKSGUPXSA-N 285.391 3.637 0 40 CHAB O=C([C@H]1C[C@H]1C1CC1)N(Cc1ccccc1)c1ccncc1 96499817 JJNGPKYYWGEOIL-ROUUACIJSA-N 292.382 3.661 0 40 CHAB Cc1ccc(/C=C2/SC(=S)N(C)C2=S)cc1 97053652 MZXVQPHZCXSUFC-JXMROGBWSA-N 265.428 3.627 0 40 CHAB CC(C)C1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1 100868266 DITMUCWQYLWEFA-UHFFFAOYSA-N 271.147 3.742 0 40 CHAB CC(C)(C)n1ncc2cc(Br)c(Cl)nc21 225814948 LNQLXMJEQFFUIF-UHFFFAOYSA-N 288.576 3.602 0 40 CHAB O=C(c1ccc(Cl)s1)N1CCC(=C2CC2)CC1 238870569 MUMHYYZKGNZADE-UHFFFAOYSA-N 267.781 3.728 0 40 CHAB COc1ccc2c(c1)CCC[C@H]2CNCc1ccccc1 521398160 PDFNVSQFTQBRNC-KRWDZBQOSA-N 281.399 3.905 0 40 CHAB O=C(/C=C/c1ccsc1)NCc1ccc(-c2ccoc2)o1 575610952 RMCTUPULNAGOLV-DAFODLJHSA-N 299.351 3.931 0 40 CHAB FC(F)c1sc(N2CCCCC2)nc1Cl 575628843 CWROSNVDMZSVKI-UHFFFAOYSA-N 252.717 3.724 0 40 CHAB O=C(NCc1cc(-c2ccco2)cs1)c1cccs1 1775968428 NLGIQCMMPNFOIZ-UHFFFAOYSA-N 289.381 4.000 0 40 CHAB CC[C@@H](C(=O)N1CC2(C1)CC(C)(C)C2)c1ccccc1 1775971456 JXVTVJXQTBKIKK-OAHLLOKOSA-N 271.404 3.829 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1cc(C2CCC2)ncn1 1775995822 KLUBGTDXYWFSGX-GASCZTMLSA-N 269.392 3.822 0 40 CHAB Clc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1 152875 PCFINNFBQJCQRT-UHFFFAOYSA-N 276.510 3.624 0 40 CHAB Cc1nnc(Nc2ccc3c(c2)ncn3C)c2ccccc12 303212 HWTATQYLAHBDFP-UHFFFAOYSA-N 289.342 3.569 0 40 CHAB CCOc1ccc2nc3sc(C(=O)O)cc3cc2c1 874374 XPASDAYRGJRTHU-UHFFFAOYSA-N 273.313 3.546 0 40 CHAB C[C@H]1Cc2cc(C(=O)CCc3ccccc3)ccc2O1 1295620 BIDJZAWEWJHSNW-ZDUSSCGKSA-N 266.340 3.826 0 40 CHAB O=Cc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12 1527045 MIPUHYOVFVSUBH-UHFFFAOYSA-N 290.244 3.833 0 40 CHAB CCCC[C@@H]1[C@H](C)C1(Br)Br 2144935 VVXFDFGQTPWSOD-NKWVEPMBSA-N 270.008 3.929 0 40 CHAB COc1ccc(CCC(=O)c2cccc(OC)c2)cc1 2516546 AIXSIBJUYBANAB-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB O=C(CCC1OCCCO1)c1cccc2ccccc12 2518127 ADBCWCOCPHMEOZ-UHFFFAOYSA-N 270.328 3.566 0 40 CHAB Fc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nccc3N2)cc1 2766650 GSGLBLIAPYQJFC-QWRGUYRKSA-N 285.244 3.683 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)nc1 3553960 GKLUSPLEJCFBEF-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB O=C(O)CSc1ccc(C(F)(F)F)cc1Cl 4343569 GPJDMXJGIQPTBZ-UHFFFAOYSA-N 270.659 3.536 0 40 CHAB CC(=O)c1ccc(C(C)(C)C)cc1NC(=O)C(C)C 4619722 TZOMKUDEZWIFMV-UHFFFAOYSA-N 261.365 3.781 0 40 CHAB Cn1c(C(=O)c2cccc3ccccc23)nc2ccccc21 4663091 IRYFDSQLAQPRJR-UHFFFAOYSA-N 286.334 3.958 0 40 CHAB CCC(=O)c1ccccc1NC(=O)c1cccs1 4739301 NBIQPGCKYDPDOR-UHFFFAOYSA-N 259.330 3.593 0 40 CHAB O=NNc1ccc(Oc2ccc(NN=O)cc2)cc1 6535972 FPBXJYNTXNXASX-UHFFFAOYSA-N 258.237 3.666 0 40 CHAB O=C1c2ccccc2N[C@@H](C2CCCCC2)N1C1CC1 7885912 MFKNJBSTWBGLIT-MRXNPFEDSA-N 270.376 3.623 0 40 CHAB CNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 8377389 JOIXQIIZKJKWJP-UHFFFAOYSA-N 291.778 3.647 0 40 CHAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1cccs1 8723888 RJBZBKQLGNOOET-LLVKDONJSA-N 282.368 3.787 0 40 CHAB COc1ccc(C2=C(N)Nc3ccccc3N=C2C)cc1 8733477 HBYWQWYIXIGQFW-UHFFFAOYSA-N 279.343 3.541 0 40 CHAB Cc1cc(COC(=O)c2cc3c(F)cccc3s2)on1 9218487 GYEOXUOAUZCLAP-UHFFFAOYSA-N 291.303 3.694 0 40 CHAB Cc1nc(-c2ccc(C(C)C)cc2)c(CC(=O)O)s1 9280485 SAGBGMKXWKUDET-UHFFFAOYSA-N 275.373 3.869 0 40 CHAB C[C@@H](Nc1ncnc2ccsc12)c1cccs1 9864782 HVVBKGSAFGKYRP-MRVPVSSYSA-N 261.375 3.926 0 40 CHAB CCCCC1CCC(C(=O)Nc2nc(C)ns2)CC1 11917261 YUXNFLRREYTYGB-UHFFFAOYSA-N 281.425 3.782 0 40 CHAB O=C1C[C@@H](c2cc(F)ccc2F)c2sccc2N1 12428517 QFMDLGYKZHBMEV-VIFPVBQESA-N 265.284 3.500 0 40 CHAB COc1ccc(-c2ccnc3c2C(=O)CC(C)(C)C3)cc1 14163990 WPIKPCUKNJVBDZ-UHFFFAOYSA-N 281.355 3.912 0 40 CHAB CCCOc1ccc(CNCC(C)C)cc1OCC 20933295 NZVZGBACUZWPQK-UHFFFAOYSA-N 265.397 3.620 0 40 CHAB CCc1nc(COC(=O)c2c[nH]c3ccccc23)cs1 22975829 ZZODDAHRNBPLEY-UHFFFAOYSA-N 286.356 3.544 0 40 CHAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@H]1c1cccs1 23178682 HSYUMAYMJOTWSK-NSHDSACASA-N 280.780 3.707 0 40 CHAB Cc1occc1C(=O)N[C@@H](C)c1cccc(Cl)c1 23790305 ZSOKZEKFGZHBHC-VIFPVBQESA-N 263.724 3.732 0 40 CHAB COc1ccc(-c2c(-c3ccccc3)noc2N)cc1 26512441 RQUNGWNXWGHGRI-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)C 30859634 BHCXACHDVIMSGF-INIZCTEOSA-N 285.387 3.912 0 40 CHAB Cc1ccc(/C=C/C(=O)N(C2CCCC2)C2CC2)cc1 32804061 RUAZEVATYBONQI-JLHYYAGUSA-N 269.388 3.942 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1ccccc1 32889966 UILYCDYZUAKQRI-CVEARBPZSA-N 255.361 3.706 0 40 CHAB O=S(=O)(C/C=C/c1ccccc1)C/C=C/c1ccccc1 34496398 QJWCAOAOTZODEO-FNCQTZNRSA-N 298.407 3.828 0 40 CHAB CSC(=S)Nc1ccccc1Br 36644050 GSTPYBGIJKUTGZ-UHFFFAOYSA-N 262.197 3.509 0 40 CHAB COc1ccccc1CN(C)C(=O)Cc1ccc(C)c(C)c1 38754571 UOEQLXQDSDKTQT-UHFFFAOYSA-N 297.398 3.513 0 40 CHAB CC(C)[C@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 39985617 ANKACNPMXRAYMJ-IBGZPJMESA-N 297.398 3.945 0 40 CHAB CC(C)c1noc(CN(C)[C@@H](C)c2ccc(F)cc2)n1 40489643 HLONPDKWWHCJSF-NSHDSACASA-N 277.343 3.525 0 40 CHAB Cc1ccc(CNC(=O)c2ccc3ccccc3n2)s1 48344221 UIBFJNDJCBWHFO-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB Cc1ccc(F)cc1[C@H](O)c1ccccc1Br 55203378 HKAPAZGGHWXOGV-CQSZACIVSA-N 295.151 3.978 0 40 CHAB Cc1cc(NC(=O)N2CCC[C@H]2c2ccccc2C)no1 56342257 IASLAVBKVHPAOI-AWEZNQCLSA-N 285.347 3.660 0 40 CHAB CCc1ccc(OCC(=O)NC[C@H](C)c2ccccc2)cc1 60966841 VPNVRACLOXGESC-HNNXBMFYSA-N 297.398 3.548 0 40 CHAB Cc1ccc(-c2cc(-c3cccs3)nc(N)n2)cc1 62710351 LHYWHSPFICCNOT-UHFFFAOYSA-N 267.357 3.763 0 40 CHAB O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 70453151 GZOFCJUFGOWQES-RQJHMYQMSA-N 264.630 3.547 0 40 CHAB CCc1nc(NC(=O)c2cccc3c2ccn3C)sc1C 71285722 FLBOTFXHOBDWGW-UHFFFAOYSA-N 299.399 3.758 0 40 CHAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(Cl)nc1 72211459 TZUBMLOXJYUVDP-AWEZNQCLSA-N 286.762 3.712 0 40 CHAB C/C=C/c1ccc(OCc2nccn2C(F)F)c(OC)c1 72281713 VLRMBKQLZOCGFY-ONEGZZNKSA-N 294.301 3.899 0 40 CHAB CC(C)(C)[C@@H](NC(=O)Nc1cccs1)C(F)(F)F 72306162 WNLCGOKQNRWPHM-MRVPVSSYSA-N 280.315 3.847 0 40 CHAB C[C@@H](NC[C@H]1CC=CCC1)c1ccc(N2CCCC2=O)cc1 79064264 SEDKIYSEGBUOIX-CVEARBPZSA-N 298.430 3.820 0 40 CHAB C[C@@H](c1ccco1)N(C(=O)NC(C1CC1)C1CC1)C1CC1 84661204 RZRDILWYYPEBQR-NSHDSACASA-N 288.391 3.703 0 40 CHAB C[C@H](NC(=O)CC(F)(F)F)c1nc(C(C)(C)C)cs1 84667562 YUSHOOOGSFCGQE-ZETCQYMHSA-N 294.342 3.570 0 40 CHAB O=C(OCc1nc(C(F)(F)F)cs1)c1ccccc1 85397221 MIGOPHROQRPFSQ-UHFFFAOYSA-N 287.262 3.519 0 40 CHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1cc(F)cc(Cl)c1 95634025 ICEBSQUWNPBYCO-RYUDHWBXSA-N 284.714 3.553 0 40 CHAB COc1cccc(NC(=O)c2cccc3c2CCCC3)c1 98073066 XTPBYYGKAKJFLP-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB Cc1cc(C)cc(-n2c(=S)[nH]c3ccsc3c2=O)c1 100020561 AHZBTEDLSDDXLU-UHFFFAOYSA-N 288.397 3.727 0 40 CHAB CC(C)([C@@H]1CCCO1)[C@@H]1CC[C@H](C(C)(C)[C@@H]2CCCO2)O1 101255041 LXSJUNVCYSIBBZ-YHUYYLMFSA-N 296.451 3.944 0 40 CHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(Cl)c1Cl 102062644 YOYLWVDGNKJMRI-DTORHVGOSA-N 298.169 3.673 0 40 CHAB Clc1ccc(N/N=C2/C=Nc3ccccc32)cc1 107685899 PPQNDXARFPFLCS-JXAWBTAJSA-N 255.708 3.872 0 40 CHAB Cc1cc(Cl)nc(COc2ccc(F)c(Cl)c2)n1 163688562 UWQRQGCSXWBUQT-UHFFFAOYSA-N 287.121 3.810 0 40 CHAB O=C(NC1CCCC1)c1ccc2nc(Cl)sc2c1 225974454 YFIRCEROBTWUFA-UHFFFAOYSA-N 280.780 3.622 0 40 CHAB CC[C@@H](C)n1nccc1CNc1cnn(C2CCCC2)c1 256050371 DULXXFDLOKNOCV-CYBMUJFWSA-N 287.411 3.778 0 40 CHAB CCc1ccc(CNC(=S)c2ccccc2)cc1 408577841 USOQHECLVWZSRY-UHFFFAOYSA-N 255.386 3.714 0 40 CHAB CC1(C)C(=O)O[C@H](c2ccc(Cl)cc2)C(C)(C)C1=O 318181 BKAOTZRZDQGSEG-LLVKDONJSA-N 280.751 3.559 0 40 CHAB C[C@H]1Oc2ccccc2N(Cc2ccccc2Cl)C1=O 1328517 XESORBQACFGSND-LLVKDONJSA-N 287.746 3.654 0 40 CHAB O=Cc1ccc2c(c1)C[C@@]1(C2)Cc2ccc3c(c2C1)CCC3 1646197 HVSQZGPCUBWINN-OAQYLSRUSA-N 288.390 3.872 0 40 CHAB CCCCN[C@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 1667056 OOKFNBJFELGWFO-MOPGFXCFSA-N 299.414 3.860 0 40 CHAB CC(=O)Nc1cc(Cl)c2c(c1)C(=O)c1ccccc1-2 1730710 QSZCYUHBPSOYJQ-UHFFFAOYSA-N 271.703 3.510 0 40 CHAB O=C(c1cccc(CN2CCCC2)c1)c1ccccc1F 2515076 ICWBFZHQCQGCFU-UHFFFAOYSA-N 283.346 3.653 0 40 CHAB COc1ccc(-c2noc3cc(C(F)(F)F)cnc23)cc1 3134968 QQWCRGWSBNBMOE-UHFFFAOYSA-N 294.232 3.917 0 40 CHAB COc1ccccc1CCC(=O)N[C@@H](C)c1ccccc1 3304485 OGZXJULOSKMRFL-AWEZNQCLSA-N 283.371 3.505 0 40 CHAB O=C(/C=C/c1ccccc1)OC[C@@H]1CCCN2CCCC[C@H]12 4028732 ZSWODZQPBXFMTI-AAIOHFERSA-N 299.414 3.508 0 40 CHAB biogenic Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1 4090373 PKZVPYDVEFVVAR-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(F)c1 6422948 DYZWCLMFMNNAIW-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB O=C(c1cccc(F)c1)N1CCC(c2ccccc2)CC1 6864103 HIGNTNDOMMYTCZ-UHFFFAOYSA-N 283.346 3.846 0 40 CHAB CCN(C(=O)CSc1ccc(F)cc1)c1ccccc1 6950705 KZOVCXOQFODJBQ-UHFFFAOYSA-N 289.375 3.971 0 40 CHAB C[C@H](C(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 12117364 BLYKNJLJNIZZOL-HNNXBMFYSA-N 294.398 3.591 0 40 CHAB COc1cccc(Oc2ccc(Br)cc2N)c1 14630989 FPXRWOYASKOHRI-UHFFFAOYSA-N 294.148 3.832 0 40 CHAB C[C@@H]1CCCC[C@@H]1N1CCN(Cc2ccccc2F)CC1 19359443 NZOCCSUBAZMUQL-QAPCUYQASA-N 290.426 3.522 0 40 CHAB C1=C(CN[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)COCC1 19373714 PTSYNSVXXOTRDY-NCXUSEDFSA-N 283.415 3.505 0 40 CHAB O=C(O)c1ccc(-c2nc3ccccc3o2)cc1Cl 20154427 KFJRYEIUXGUSKD-UHFFFAOYSA-N 273.675 3.846 0 40 CHAB Cc1cc(OCC[C@@H]2CCCCN2)cc(C)c1Cl 20221541 NETBXQKENDNSLE-ZDUSSCGKSA-N 267.800 3.868 0 40 CHAB C[C@H](NCc1cc(Br)cs1)c1cccnc1 20306505 WCVZTBNTZQXBMG-VIFPVBQESA-N 297.221 3.756 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 20453775 OQDOXJRBHHVXBX-LLVKDONJSA-N 291.297 3.679 0 40 CHAB CC(C)C[C@@H](CNCc1c(F)cccc1Cl)N(C)C 20564730 YDPACEROMKCYDF-LBPRGKRZSA-N 286.822 3.545 0 40 CHAB CCc1nc2ccc(NC(=O)c3ccco3)cc2s1 22254827 KRDUCQKKDALSAR-UHFFFAOYSA-N 272.329 3.704 0 40 CHAB O=C(/C=C/c1ccccc1F)NCCC1=CCCCC1 22651651 NETZKMDJNRBOJK-ZHACJKMWSA-N 273.351 3.846 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@H]1C=CCC1)CC3 25544784 CQUYKSUIIOMFSE-AWEZNQCLSA-N 294.398 3.717 0 40 CHAB Cc1noc([C@@H](C)Nc2ccc3oc(C(C)C)nc3c2)n1 27044479 QIWXDZNATRQSIW-SECBINFHSA-N 286.335 3.816 0 40 CHAB O=C(c1csc(-c2ccco2)n1)N1CCc2ccccc21 29506387 MFRVLVACNNIOEI-UHFFFAOYSA-N 296.351 3.606 0 40 CHAB Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 32480293 VEPYXNVRXDKIIT-UHFFFAOYSA-N 250.301 3.729 0 40 CHAB NC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1 32826995 USXZWPWSDUWRFU-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB CCOc1ccccc1C(=O)c1cc(C)ccc1C 37353630 WWHGGZXSYCNSSC-UHFFFAOYSA-N 254.329 3.933 0 40 CHAB CCn1c(CCCCC(=O)O)nc2cccc(Cl)c21 37443399 HRDPRAQVDBSQOZ-UHFFFAOYSA-N 280.755 3.507 0 40 CHAB COc1cccc(CN(C)Cc2ccccc2C)c1OC 40161698 RQAINWCOGIYTNP-UHFFFAOYSA-N 285.387 3.644 0 40 CHAB Cc1cc([C@@H](C)Nc2cncc(Cl)n2)c(C)o1 44731776 WUUNKPLDPYKTGB-MRVPVSSYSA-N 251.717 3.513 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1C1CCCC1 56033652 SNQUZIGIXUBIRM-GOSISDBHSA-N 296.414 3.892 0 40 CHAB CC[C@H](C)C(=O)Nc1ccccc1-c1nc(C(C)C)n[nH]1 58364995 UGGCNQNTSBWTLE-NSHDSACASA-N 286.379 3.580 0 40 CHAB CO[C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1 61227432 IRPJQNBNMQDOAF-MRXNPFEDSA-N 269.344 3.630 0 40 CHAB Clc1nc(Cl)c2cnn(C3CCCCC3)c2n1 66354287 AEQWIUBVFASZJU-UHFFFAOYSA-N 271.151 3.638 0 40 CHAB Cc1cc(C(=O)c2cccc3ccccc23)ccc1N 70992102 VKDJIKOKLSSRAV-UHFFFAOYSA-N 261.324 3.961 0 40 CHAB CC(C)Oc1ccccc1-c1cc(N)nc2[nH]ccc12 72150392 ATTUPCJBPHIEOU-UHFFFAOYSA-N 267.332 3.599 0 40 CHAB Fc1cc(F)cc(-c2csc(Br)n2)c1 72191791 OTCAKIVDDIVQEG-UHFFFAOYSA-N 276.105 3.851 0 40 CHAB CC(C)CC(C)(C)CNC(=O)CCc1ccccc1 75107347 HPTZWGAGVKYZMD-UHFFFAOYSA-N 261.409 3.808 0 40 CHAB Cc1ccc([C@@H](C)N[C@H](CO)c2ccc(Cl)cc2)o1 89210638 WJHLALOATKLEGC-BXUZGUMPSA-N 279.767 3.626 0 40 CHAB CC(C)n1cc(NCc2c[nH]nc2-c2ccccc2F)cn1 89894058 ZIBFSCOMKMUTIL-UHFFFAOYSA-N 299.353 3.605 0 40 CHAB CCOc1ccc(-c2cc(-c3ccncc3)[nH]n2)cc1 95094764 BNAOKOQKQLTVJC-UHFFFAOYSA-N 265.316 3.537 0 40 CHAB COC(=O)c1cc(Br)cc(Cl)c1Cl 160780890 KMLNFNLIVAXHKJ-UHFFFAOYSA-N 283.936 3.543 0 40 CHAB NN[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl 161799617 OURBLJBZPVQDIC-ZDUSSCGKSA-N 267.159 3.546 0 40 CHAB Cc1ccc(N2CC(Nc3cc(C)ccc3C)=CC2=O)cc1 217425545 BOTQOSOCGLKPJG-UHFFFAOYSA-N 292.382 3.954 0 40 CHAB CC[C@H](C(=O)O)N1c2ccccc2C(C)=CC1(C)C 223196219 LXVHDFGBDCGFKZ-CYBMUJFWSA-N 259.349 3.552 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 225986908 ZORAUYHNWJNKAP-SNVBAGLBSA-N 293.798 3.799 0 40 CHAB CC[n+]1ccc(-c2nc3c(C)cccc3s2)cc1 226776533 TWABEZUXJDHMSL-UHFFFAOYSA-N 255.366 3.579 0 40 CHAB Cc1ccc(/C=C2/N=C(Cc3ccccc3)OC2=O)cc1 253449847 ZLXVBMLDLJUZCA-LFIBNONCSA-N 277.323 3.534 0 40 CHAB CC(CF)(CF)C(=O)Cc1ccc(F)cc1Cl 255186965 AIHSGMFMWDOFQQ-UHFFFAOYSA-N 264.674 3.536 0 40 CHAB CC[C@H](Oc1ccccc1C)c1nc(-c2cccnc2)no1 531400846 DUKZNUOEAZQUPO-AWEZNQCLSA-N 295.342 3.970 0 40 CHAB Cc1ccc(Oc2ncccc2C(F)(F)F)cn1 1888866847 FUDAWJMBPJQPGP-UHFFFAOYSA-N 254.211 3.596 0 40 CHAB CN(NC(=S)Nc1ccccc1)c1cccc(Cl)c1 41373 XYEPGSZCWGTDMK-UHFFFAOYSA-N 291.807 3.678 0 40 CHAB Cc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 195520 GTWZRQMABNLQKU-UHFFFAOYSA-N 277.732 3.878 0 40 CHAB CC[C@H](C)C(=O)Nc1nnc(C2CCCCC2)s1 380324 KKDGEIXUYAELHM-VIFPVBQESA-N 267.398 3.570 0 40 CHAB Cc1cccc(NC(=O)COc2cccc3c2CCC=C3)c1 8750179 JPMGBBKZOVPKEA-UHFFFAOYSA-N 293.366 3.972 0 40 CHAB O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ccc2ncccc2c1 77321661 VTQFYNJVNLFLQX-NUTKFTJISA-N 280.371 3.543 0 40 CHAB Cc1cccc(OCC(=O)N(C)[C@H](C)c2cccs2)c1 53312997 UXFCKGJKIZWTSZ-CYBMUJFWSA-N 289.400 3.655 0 40 CHAB Cc1cc(C)cc(N[C@H](C(=O)O)c2ccccc2)c1 4244771 DOTIJSVXXUBRGQ-HNNXBMFYSA-N 255.317 3.541 0 40 CHAB CCn1c(CNC(=O)c2ccc(F)cc2)cc2ccccc21 4973465 FYAZCSKYQZLVKV-UHFFFAOYSA-N 296.345 3.730 0 40 CHAB Nc1cc(-c2cccc(Br)c2)cs1 106982990 JYIAUAKWDGOPGD-UHFFFAOYSA-N 254.152 3.760 0 40 CHAB O=C(c1ccccc1)c1cc2cc(Cl)ccc2oc1=O 2952808 OLLGFWQKIPAPII-UHFFFAOYSA-N 284.698 3.677 0 40 CHAB C[C@@H]1CN(C(=S)c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 9188947 PXNPBQRQIGVEIB-CHWSQXEVSA-N 291.460 3.769 0 40 CHAB Cc1ccc(NC(=O)c2c(C)noc2C(C)C)c(F)c1 24983738 YCRCFBJHLWZNPS-UHFFFAOYSA-N 276.311 3.806 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 9885186 JUXOQOAMFVRBBP-ABZNLYFFSA-N 257.358 3.639 0 40 CHAB C[C@@H](NC(=O)c1csc2ccccc12)c1ccncc1 25379815 LTFVBRSOHCHCED-LLVKDONJSA-N 282.368 3.787 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)CCc1cccnc1 12538138 XLHMYBAKHYJVCC-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB CCCCOc1ccc(N2C=CC(C)(C)NC2=S)cc1 56709155 ODRXMJMWKJYZNR-UHFFFAOYSA-N 290.432 3.852 0 40 CHAB CCN(CC)CCNc1nc2cc(C)cc(C)c2s1 26424040 BZKWOCYVPAUAQE-UHFFFAOYSA-N 277.437 3.667 0 40 CHAB Cc1ccccc1C[S@](=O)Cc1ccc(F)cc1 58168093 JWCMQIMGSNDCRZ-SFHVURJKSA-N 262.349 3.583 0 40 CHAB CCN(CCC(F)(F)F)C(=O)Cc1c[nH]c2ccccc12 58218317 PJKXGYLFNNWQMA-UHFFFAOYSA-N 298.308 3.511 0 40 CHAB CC(=O)Nc1ccccc1OCc1cccc2cccnc12 11231019 PUECDJSYLWEPDE-UHFFFAOYSA-N 292.338 3.772 0 40 CHAB Clc1ccc2oc(/C=C/c3csnn3)nc2c1 45745715 SCWHJADBCRFDAG-DUXPYHPUSA-N 263.709 3.503 0 40 CHAB CSc1nnc(Nc2c(C)cccc2C)s1 3338006 ZNLLFOFVNDXBPR-UHFFFAOYSA-N 251.380 3.620 0 40 CHAB C[C@@]12CC3CC(C(=O)NCc4ccco4)(C1)C[C@](C)(C3)C2 13139391 TZSTVOFUJBCRMP-DWLODGJJSA-N 287.403 3.892 0 40 CHAB Cc1cccnc1NC(=O)c1ccc(C(C)(C)C)cc1 13208112 AZBWWYMXUOZAJJ-UHFFFAOYSA-N 268.360 3.940 0 40 CHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC1CCCCC1 4670488 JYQMPWGXGMAWAB-UHFFFAOYSA-N 288.366 3.607 0 40 CHAB CCc1nonc1NC(=O)c1oc2cc(C)c(C)cc2c1C 6743416 ORDJNQPBZKWWFR-UHFFFAOYSA-N 299.330 3.556 0 40 CHAB O=C(NC1CC1)c1ccccc1SCc1cccs1 15658172 ZQYWHIZVIHSDGB-UHFFFAOYSA-N 289.425 3.933 0 40 CHAB O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1C1CC1 7886008 SXFGLIZTHHEYSG-MRXNPFEDSA-N 282.318 3.555 0 40 CHAB Clc1ccc(SCC[C@@H]2CCCCN2)cc1 8039533 MCRKDDZFRNKWBG-LBPRGKRZSA-N 255.814 3.964 0 40 CHAB in-vitro C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280186 CTWZBYRMLLZJGQ-GWCFXTLKSA-N 297.383 3.657 0 40 CHAB C[C@@H](NCc1ncc(-c2cccc(F)c2)o1)c1ccncc1 97370693 IKJQPTZKQQONJG-GFCCVEGCSA-N 297.333 3.727 0 40 CHAB Cc1cccc(CSCc2ccc(C(N)=O)cc2)c1 9936780 FZLHYSMASOYLBJ-UHFFFAOYSA-N 271.385 3.527 0 40 CHAB COc1cc(CO)cc(Cl)c1OCc1ccc(C)cc1 20377450 WGGOLFZQGGGFCJ-UHFFFAOYSA-N 292.762 3.728 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N(C)C2CCCCC2)c1 38754302 VIFKBNUUFWJEHQ-CQSZACIVSA-N 275.392 3.553 0 40 CHAB Clc1ncc(-c2ccccc2)c(N2CCCCC2)n1 38540681 LRDBWBNBBGXZHK-UHFFFAOYSA-N 273.767 3.787 0 40 CHAB Cc1cccc(OCC(=O)N(C)[C@H]2CCc3ccccc32)c1 42622892 XHHOIQOXEQWPIA-SFHVURJKSA-N 295.382 3.520 0 40 CHAB COC(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 72100054 DBTVHBQFHPGJPV-UHFFFAOYSA-N 294.709 3.845 0 40 CHAB CN1CCC[C@H](c2cnc(-c3ccccc3Cl)cn2)C1 72382918 HGACKBMYPPLRHE-LBPRGKRZSA-N 287.794 3.606 0 40 CHAB CCCS(=O)(=O)Oc1ccc(C2CCCCC2)cc1 45929269 XPYPSHLENBKJDP-UHFFFAOYSA-N 282.405 3.853 0 40 CHAB Nc1cccc(CC[C@@H]2CCc3ccccc3N2)c1 85392101 LUJOESZEGYTYMY-MRXNPFEDSA-N 252.361 3.628 0 40 CHAB Cc1cc(C)c(C(=O)Nc2ccc3c(c2)OCCO3)cc1C 225642436 NTEOSUATDUIZPE-UHFFFAOYSA-N 297.354 3.635 0 40 CHAB C[C@H]1CC(=O)Nc2c(Cl)cc(Br)cc21 225811389 CZUJHHUIDZNIAA-YFKPBYRVSA-N 274.545 3.548 0 40 CHAB O=Cc1c[nH]c2cccc(COCc3ccccc3)c12 89203506 VJRLPVOOGVCSOQ-UHFFFAOYSA-N 265.312 3.697 0 40 CHAB C[S@](=O)Cc1cc(NC2CCCC2)ccc1Cl 97371121 UATVWZMMYOVVFA-QGZVFWFLSA-N 271.813 3.573 0 40 CHAB CC(=O)c1ccc(C(=O)N2CCCc3cc(C)ccc32)s1 24751935 HYGWKINJRLUPQU-UHFFFAOYSA-N 299.395 3.852 0 40 CHAB COc1ccc(CC(=O)Nc2ccc(C)cc2Cl)cc1 6272370 IIMRQFINQWPYFD-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB CCCCCC[C@H](C)NCC(=O)Nc1ccccc1C 1684137 KEAFRUJUNVFMKI-HNNXBMFYSA-N 276.424 3.882 0 40 CHAB CCCNCc1ccc(OCC(C)C)c(OCC)c1 34652093 SKTHNFLADYRAOF-UHFFFAOYSA-N 265.397 3.620 0 40 CHAB c1cncc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)c1 38302 ANWZCODVUVJLKC-UHFFFAOYSA-N 296.351 3.643 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(Cl)cc1C 575357983 UVZKSJFTWKMBLA-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1CCCOc1cccc(C=O)c1 217790540 WYOIWKKKCRPOMC-HUUCEWRRSA-N 275.392 3.531 0 40 CHAB C[C@@H]1CCCc2sc3[nH]c(=S)sc(=N)c3c21 100058201 ZQFMOXIIUTZOPM-RXMQYKEDSA-N 268.432 3.940 0 40 CHAB CC(=O)c1ccc(NC(=O)c2cccc3c2ccn3C)cc1 40267060 NEWJPJRQDVYPQC-UHFFFAOYSA-N 292.338 3.633 0 40 CHAB C[C@@H](N)c1nc(-c2ccc(F)c(Cl)c2)cs1 41059201 IPXBGNZEHFYRHY-ZCFIWIBFSA-N 256.733 3.622 0 40 CHAB in-vitro Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccco2)cc1C 32748185 HAHRBRNQUGCWCK-CQSZACIVSA-N 299.370 3.737 0 40 CHAB Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(O)CCCC1=N2 102731248 ZNPTUWNPMMNZFD-OAHLLOKOSA-N 296.326 3.903 0 40 CHAB O=C1C=CC(=O)N1C1CCCCCCCCCCC1 96663 MHEFNZSCICKHDS-UHFFFAOYSA-N 263.381 3.585 0 40 CHAB CC(C)(C)c1cc(OC(=O)c2ccco2)ccc1O 363925 GJVSYXBHCQSASC-UHFFFAOYSA-N 260.289 3.502 0 40 CHAB CNCc1cc(F)ccc1Oc1cccc(Cl)c1 37237800 TZKZUVMYVKQZFO-UHFFFAOYSA-N 265.715 3.991 0 40 CHAB O=C(O)c1cc2ccccc2c2c1C(=O)c1ccccc1-2 1568764 IAECUPAAKIRADL-UHFFFAOYSA-N 274.275 3.749 0 40 CHAB Cc1ccccc1-n1c(S)nnc1-c1cccs1 554977 NQHYLYUUZTUHLI-UHFFFAOYSA-N 273.386 3.593 0 40 CHAB Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1F 22566606 DAAPYAYRPNCFDI-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccccc1 6922094 SSPSNKPHBNTNOT-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB Cc1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1Cl 7653849 YNOIWUHYVHEPTE-MRVPVSSYSA-N 278.566 3.781 0 40 CHAB CCCN1CCC[C@@H]1c1cccnc1N[C@H](C)CC 108368492 NORPIJXUDNAOFT-UKRRQHHQSA-N 261.413 3.839 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NC2CCCCCC2)cc1C 8498282 BBZGWALVFGWBQS-OAHLLOKOSA-N 289.419 3.910 0 40 CHAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@@H](O)C[C@@H]12 8551525 KVUXYQHEESDGIJ-RMGBCANISA-N 292.463 3.751 0 40 CHAB in-vitro Fc1ccccc1-c1ccc(CNCc2ccn[nH]2)s1 71907469 DMPBFZFXULIEQR-UHFFFAOYSA-N 287.363 3.567 0 40 CHAB CCN(C(=O)c1cc(C)nc2onc(C)c12)c1ccccc1 24750826 QZPFUWKZCRKAKN-UHFFFAOYSA-N 295.342 3.506 0 40 CHAB Cc1ccc(C)c(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 12556236 GSLUNLHWERGLDU-GOSISDBHSA-N 294.398 3.735 0 40 CHAB COc1ccc([C@@H]2C[C@H]2c2ccc(OC)cc2)cc1 1556163 YTFKRSWDEPYBKW-IRXDYDNUSA-N 254.329 3.975 0 40 CHAB O=c1c(Nc2ccccc2C(F)(F)F)ccc2n1CCC2 26897372 DAUYJZLGAKQLHV-UHFFFAOYSA-N 294.276 3.557 0 40 CHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1C)C2 12618445 WYLZLXFDHYABHX-INIZCTEOSA-N 283.396 3.959 0 40 CHAB Cc1cc(C)c(C)c(OC(=O)c2cccc3cn[nH]c23)c1 58382432 LUHRMNCHGGFFQY-UHFFFAOYSA-N 280.327 3.707 0 40 CHAB O=C(NCc1ccccc1)N[C@@H]1CCCc2ccccc21 45683892 XMSUYLLASUQXKD-QGZVFWFLSA-N 280.371 3.563 0 40 CHAB CCOc1ccc(N[C@@H](C)c2ccccc2F)cc1CO 37901506 BYWUDUOHSQGRHW-LBPRGKRZSA-N 289.350 3.890 0 40 CHAB CC[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 12861038 RGZYSRGRBNGJDQ-LLVKDONJSA-N 286.331 3.517 0 40 CHAB CC[C@@H](C)[C@H](N)c1nnc(SCc2ccc(F)cc2)o1 5025246 BSBSHLNOMCAHCK-SKDRFNHKSA-N 295.383 3.547 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)c2cccs2)cc1 20025452 NOUVAHKLFHOORE-SNVBAGLBSA-N 277.414 3.961 0 40 CHAB CCc1ccc(Cl)c(CC)c1NC(=O)CCCC(=O)O 14199929 NILUUNMDOWHCMB-UHFFFAOYSA-N 297.782 3.658 0 40 CHAB Cc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1 4687665 KCTCRWHSLOZZSC-UHFFFAOYSA-N 278.355 3.897 0 40 CHAB CC(=O)c1ccc(NC(=O)CSC2CCCCC2)cc1 4653528 BWZQQUPKZBMGPF-UHFFFAOYSA-N 291.416 3.894 0 40 CHAB C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 4674602 ULXVRCZTNAIDOX-HUUCEWRRSA-N 295.382 3.603 0 40 CHAB Cc1cc(C)c(NC(=O)[C@@H]2CC2(Cl)Cl)c(C)c1 9218434 IBTOSUAPXHZHSR-JTQLQIEISA-N 272.175 3.744 0 40 CHAB O=C(COc1cccc(Cl)c1Cl)c1ccc[nH]1 6788563 LMOYTIOGQRHESF-UHFFFAOYSA-N 270.115 3.583 0 40 CHAB Fc1ccc(NC(=S)Nc2ccccc2)c(F)c1 5899897 IECYSSMVQNMTHW-UHFFFAOYSA-N 264.300 3.774 0 40 CHAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)cc1F 9388573 LCZRYPJSRBZNRM-SECBINFHSA-N 295.260 3.510 0 40 CHAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1O 9495649 PTEKFLKSALMJNI-UHFFFAOYSA-N 296.153 3.880 0 40 CHAB CC[C@@H](C)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 8344399 MTUFDDWMNDOBEV-RKDXNWHRSA-N 289.206 3.709 0 40 CHAB Cc1csc(C(C)(C)NC(=O)CC2=CCCCC2)n1 96407426 SAIFAZXREABAOX-UHFFFAOYSA-N 278.421 3.693 0 40 CHAB CC(C)(C)OC(=O)n1c(Cl)c(C(=O)O)c2ccccc21 36421906 QGARXLIAXAOOLO-UHFFFAOYSA-N 295.722 3.776 0 40 CHAB CCOP(=O)(OCC)C(F)(F)[C@H](O)c1ccccc1 36469714 VHGLJPQOTSBATO-LLVKDONJSA-N 294.234 3.579 0 40 CHAB C[C@H]1CCC[C@H]1OC[C@H](O)CN1C(C)(C)CCCC1(C)C 35093067 ZLYUPXNPZUWJIQ-ARFHVFGLSA-N 297.483 3.596 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1cc(F)ccc1Cl 72331807 XWXOXRIAJWDFLA-HNNXBMFYSA-N 289.737 3.896 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(F)cc1Cl 39995070 ZTMNHGLLRKJDFB-QWRGUYRKSA-N 299.773 3.647 0 40 CHAB CC[C@@H](N)c1ccc(N2CCCc3ccccc32)nc1 72225794 MUVHYIHFVZNVMO-OAHLLOKOSA-N 267.376 3.576 0 40 CHAB Cc1nc(C(=O)Nc2ccccn2)c(-c2ccccc2)s1 40326468 IQTJTGYOAMDFRG-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1cc(NC(=S)NC2CCCCC2)ncc1Cl 224037645 CUGZEVNOCACUOC-UHFFFAOYSA-N 283.828 3.663 0 40 CHAB C[C@@H](NC[C@@H]1CCCO1)c1cccc(OC2CCCC2)c1 225167478 LRNVTYKREVBMEX-KDOFPFPSSA-N 289.419 3.838 0 40 CHAB COc1cccc(OC)c1SCc1nc(C)cs1 191228462 XURJHFMILZIZNC-UHFFFAOYSA-N 281.402 3.761 0 40 CHAB O=C1CC[C@]2(CCc3ccccc32)N1Cc1ccccc1 220211990 JOLIWSMOFLPEMB-IBGZPJMESA-N 277.367 3.651 0 40 CHAB CCc1ccc(CC(=O)N[C@H]2CCCc3ccccc32)cc1 225074998 MLSJPBGNCXYKCO-IBGZPJMESA-N 293.410 3.985 0 40 CHAB CCOc1ccc(C(=O)NC(C)(C)CC)cc1Cl 224350178 GQYCRRBSMPBIDT-UHFFFAOYSA-N 269.772 3.657 0 40 CHAB COc1ccc(/C=C/c2nc3cc(N)cc(C)c3o2)cc1 226249947 USFTUZWUHUJMKL-VMPITWQZSA-N 280.327 3.897 0 40 CHAB CCCS(=O)(=O)N(C1CCCCC1)C1CCCCC1 45929363 LRMMXXPJQFKPTC-UHFFFAOYSA-N 287.469 3.694 0 40 CHAB CCN(C(=O)Cc1ccccc1C)c1ccccc1 47219934 KHRMFJPIQNOBGH-UHFFFAOYSA-N 253.345 3.591 0 40 CHAB Cc1ccc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1C 224051014 BDOPXSCOYPXFEC-BBWFWOEESA-N 271.404 3.541 0 40 CHAB C[C@H]1CSc2ccccc2[C@@H]1NCc1ccco1 95427053 DEMVWLOJCWZKQT-XHDPSFHLSA-N 259.374 3.852 0 40 CHAB CCCCCOc1ccc(C(=O)CC)cc1OC 95739989 SXRCJUBUZRCWFZ-UHFFFAOYSA-N 250.338 3.857 0 40 CHAB CO[C@H](C)c1nc(Cl)cc(-c2ccc(C)cc2)n1 96529133 CKNHBLLBCJNQSM-SNVBAGLBSA-N 262.740 3.813 0 40 CHAB C[C@H]1CC[C@H]2[C@H](O1)c1cccc(F)c1OC2(C)C 257335368 YJWOIWRJFNGUAZ-XHVZSJERSA-N 250.313 3.853 0 40 CHAB CO[C@H](CNC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 253473325 UFFFTADAQLZPSC-CXAGYDPISA-N 299.370 3.593 0 40 CHAB CC[C@@H](C)n1ccc(NCc2cc(F)cc(F)c2)n1 256053388 RFZYPNYQKDQQMQ-SNVBAGLBSA-N 265.307 3.744 0 40 CHAB Nc1cccc2c(C(F)(F)F)cc(N3CCCCC3)nc12 685938610 XFXJXZOSQZRFPS-UHFFFAOYSA-N 295.308 3.826 0 40 CHAB CCN(CC)c1cc(C(F)(F)F)c2cccc(N)c2n1 685937994 GDYADFHQWWFAEX-UHFFFAOYSA-N 283.297 3.682 0 40 CHAB Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1[nH]nc(C2CC2)c1C 76989896 VGTQUBDMRFALBI-HUUCEWRRSA-N 295.386 3.646 0 40 CHAB CC(C)C[C@H](NC(=O)c1ccco1)c1ccccc1 20108226 WQWSQJQHXLHASH-AWEZNQCLSA-N 257.333 3.797 0 40 CHAB O=C(Oc1ccc(/C=C/c2ccncc2)cc1)C1CC1 11858435 GRNLTRJHRBGVJB-OWOJBTEDSA-N 265.312 3.567 0 40 CHAB COc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1 15412996 VJPSJCOMHUBNLQ-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB O=C(CCc1ccc(Cl)cc1)NCCc1ccccc1 28577105 MQONZOCHUFIFPR-UHFFFAOYSA-N 287.790 3.632 0 40 CHAB COc1ccc(-c2nc(Cl)c3ccccc3n2)cc1 149796 CRHKQTMYCDKELI-UHFFFAOYSA-N 270.719 3.959 0 40 CHAB Cc1ccc(Cl)cc1N1Cc2ccccc2C1=N 100745786 QTZBNRDQLRJAHW-UHFFFAOYSA-N 256.736 3.994 0 40 CHAB O=C(O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 21031268 CRPUIOAIHYYSNO-UHFFFAOYSA-N 283.114 3.830 0 40 CHAB CCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 32795123 IUUOHPFRCBCEKR-NXEZZACHSA-N 270.323 3.514 0 40 CHAB O=C(c1ccccc1Cl)n1cnc(Cl)c1Cl 160933 OSGFGNDMDFEDTP-UHFFFAOYSA-N 275.522 3.532 0 40 CHAB O[C@@H](c1ccccc1)[C@@H](CN1CCCC1)c1ccccc1 346123 PVXJJESJYYEWMJ-OALUTQOASA-N 281.399 3.600 0 40 CHAB Cc1ccc(NC(=O)c2cccnc2Cl)cc1Cl 483271 XFFAREFSMUJYRS-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB COc1cc2cnc(-c3ccccc3)cc2cc1OC 1567648 HWDYURZFTCCAGV-UHFFFAOYSA-N 265.312 3.919 0 40 CHAB COc1ccccc1CC(=O)Nc1cccc(SC)c1 3548736 UANWRMXPGPEWRE-UHFFFAOYSA-N 287.384 3.598 0 40 CHAB CCc1ccc(NC(=O)c2cccc(OC)c2)cc1 4109700 JYJMHIMFAGQPCR-UHFFFAOYSA-N 255.317 3.510 0 40 CHAB O=C(NCCOc1cccc2ccccc12)c1ccccc1 5870992 QYSQASGOMDEXHQ-UHFFFAOYSA-N 291.350 3.649 0 40 CHAB O=c1cc(C(Cl)(Cl)Cl)oc2ccccc12 6229807 AMUJHRXELMDDIQ-UHFFFAOYSA-N 263.507 3.620 0 40 CHAB biogenic,in-vitro CC(=O)Nc1ccc(SCCOc2ccccc2)cc1 6596819 JTXSXZGOGXHANI-UHFFFAOYSA-N 287.384 3.816 0 40 CHAB O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 6789358 HUJOQOKVGSDAQI-UHFFFAOYSA-N 283.346 3.635 0 40 CHAB Cc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)c(C)c1 6797011 RNNYTHSBBTVFTA-MHWRWJLKSA-N 295.313 3.787 0 40 CHAB Cc1ccc(NC(=S)NCc2ccccc2C)cc1 7102852 BKCOQJABFRKZHD-UHFFFAOYSA-N 270.401 3.790 0 40 CHAB Cc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 8706909 GICXUVCNMDILOG-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1 8924369 KSKFCQORCQYKKA-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CC(=O)Nc1cccc(C(=O)Nc2cccc(C)c2C)c1 9458553 DTNQYQITWXZXMW-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1 9576772 RESMUNRPCXACHP-UHFFFAOYSA-N 297.354 3.976 0 40 CHAB CCOc1ccc(Nc2nncc3ccccc23)cc1 16691784 HUDUHHBSWFFRAO-UHFFFAOYSA-N 265.316 3.772 0 40 CHAB Cc1ccc(-c2n[nH]cc2-c2cncn2C(C)C)cc1 19697168 GCCUQWZMYGTXSF-UHFFFAOYSA-N 266.348 3.830 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cc(F)ccc1F 22568983 OQYFZJYOGSEWMG-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1ccc(C)c(C(=O)NCCCN(C)c2ccccc2)c1 23428163 UQSINULUVSDELT-UHFFFAOYSA-N 296.414 3.560 0 40 CHAB Fc1ccccc1CSc1nnc(NC2CC2)s1 24889498 KVEDDGFWGJRJMX-UHFFFAOYSA-N 281.381 3.544 0 40 CHAB Cc1cc(C)c2c(C)c(C(=O)N[C@H](C)C3CC3)sc2n1 25772568 STZPSOSVAZBFSF-LLVKDONJSA-N 288.416 3.750 0 40 CHAB CC(C)(C)c1ccc(N[C@H](C(N)=O)c2ccccc2)cc1 26158438 ADNYNTIXBLTVEY-INIZCTEOSA-N 282.387 3.623 0 40 CHAB O=C(/C=C/c1ccc(-c2ccccc2)s1)NCC1CC1 27465165 HMFBIFYCFUGDIE-PKNBQFBNSA-N 283.396 3.955 0 40 CHAB COc1ccccc1NC(=O)[C@@H]1CCCc2ccccc21 32755147 MCBMEEMYUODTOS-OAHLLOKOSA-N 281.355 3.754 0 40 CHAB O=c1nc2ccc(Cl)cc2c(-c2ccccc2Cl)[nH]1 39216628 FIKXZQLWVRAQOA-UHFFFAOYSA-N 291.137 3.897 0 40 CHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC=CCC1 40107201 TZPPOPQRFGVSCL-TZMCWYRMSA-N 277.795 3.744 0 40 CHAB Cc1c(Cl)ccc2sc(NC[C@@H]3CCCO3)nc12 42379416 COMYMLWHTZXCSC-VIFPVBQESA-N 282.796 3.849 0 40 CHAB Cc1cc(OCC[C@@H]2CCCCN2)ccc1Br 42770609 WYWKTLXEKLMNLA-LBPRGKRZSA-N 298.224 3.669 0 40 CHAB COc1c(OC)c(OC)c2c(c1OC)[C@H]1CC[C@@H]2C=C1C 45027972 QUBYQAXBMQWBNX-MNOVXSKESA-N 290.359 3.642 0 40 CHAB CCCCN(C)CC(=O)c1cc(C)n(C(C)C)c1C 62654470 IMDYCGYYYOENQJ-UHFFFAOYSA-N 264.413 3.600 0 40 CHAB O=C(Cc1cccc(Cl)c1)Nc1ccc(F)cc1 67786291 IODXPRAKFAKROA-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccoc2C)n1 72273743 PRTNFHUZWCZZLZ-ZDUSSCGKSA-N 290.388 3.720 0 40 CHAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCNC3)c2)c1 72354415 LDPKQPOWFXQWEP-GOSISDBHSA-N 280.415 3.756 0 40 CHAB CSc1ccc(-c2cc(-c3ccco3)nc(N)n2)cc1 72422414 GSSHSYZYBBGEDC-UHFFFAOYSA-N 283.356 3.708 0 40 CHAB Cc1nn(C)c(C)c1[C@H]1CCCN1c1nc2ccccc2o1 75128703 VNRABBJOWLNZGV-CQSZACIVSA-N 296.374 3.520 0 40 CHAB Cc1cnc(COc2ccccc2-c2nccs2)o1 97103810 FISWMCYJDJHNFD-UHFFFAOYSA-N 272.329 3.686 0 40 CHAB CCCCCCC1(O)CC(C)(C)N([O])C(C)(C)C1 100740441 QLYZTOFOLBDCJN-UHFFFAOYSA-N 256.410 3.686 0 40 CHAB C[C@@]12CC3CC(NC(=O)c4ccco4)(C1)C[C@@](C)(C3)C2 100980767 HLDVZZYEHAALMM-KDFVVIITSA-N 273.376 3.758 0 40 CHAB CCCCC[S@](=O)Cc1ncc(Cl)cc1Cl 163680872 CQHFDEGVEYHAFR-MRXNPFEDSA-N 280.220 3.827 0 40 CHAB COC(=O)/C=C/c1cccc(OCc2cccc(F)c2)c1 216894892 XIAMVXNCEPUKQP-CMDGGOBGSA-N 286.302 3.591 0 40 CHAB COC(=O)c1cn(C(=O)Nc2ccccc2)c2ccccc12 222568996 HFJNBMDGSWJWKK-UHFFFAOYSA-N 294.310 3.508 0 40 CHAB CCc1ccc(CC(=O)Nc2ccc(CC)cc2)cc1 225518418 IBUXNHLNPKECAY-UHFFFAOYSA-N 267.372 3.993 0 40 CHAB COc1cc(C)c(C(=O)N2CCC[C@@H](C)C2)cc1C(C)C 225662507 SKABEVBKWVDKBV-CYBMUJFWSA-N 289.419 3.999 0 40 CHAB Cc1ccnc(NC(=S)N[C@@H](C)c2ccccc2C)c1 225755243 ABAFLJOWPSVDQH-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB CN(C[C@@H]1CC=CCC1)C(=O)c1ccncc1C(F)(F)F 252482542 DIVPFKCJXSYZEU-LLVKDONJSA-N 298.308 3.529 0 40 CHAB COC(=O)[C@@H](C)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260613149 DEJUSQISLVHUNU-GHMZBOCLSA-N 295.810 3.994 0 40 CHAB CC(C)(C)c1csc(=Nc2ccccc2F)[nH]1 409053909 DLTLORGSAJVHMK-UHFFFAOYSA-N 250.342 3.745 0 40 CHAB CC[C@@H]1C[C@@H]2[C@](C)(OC=C3CCCC[C@H]3[C@]2(C)C(=O)O)O1 1772591041 CBIDMVNWAPNTBS-BIYBGRMPSA-N 294.391 3.713 0 40 CHAB CCCCCC[C@@H](C)N1C(=O)c2ccccc2C1=O 2046391 XHEHIHZWIAZNFX-GFCCVEGCSA-N 259.349 3.642 0 40 CHAB Cc1cc2oc(=O)cc(CNc3ccccc3C)c2cc1O 2114200 HNQJKWHWXTYJCF-UHFFFAOYSA-N 295.338 3.728 0 40 CHAB biogenic O=C(O)CCCCC(=O)c1ccc(C(F)(F)F)cc1 2579916 VJPZGTYFYCGMDS-UHFFFAOYSA-N 274.238 3.533 0 40 CHAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 3090593 RPEVPMBIVAYJSS-LBPRGKRZSA-N 289.762 3.596 0 40 CHAB Cc1noc(C)c1COc1cccc(C(F)(F)F)c1 3340844 SOXURVZPCRHBQK-UHFFFAOYSA-N 271.238 3.889 0 40 CHAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC(=O)O2 4655150 FWJIMKYKNBCAJA-MUQADHOPSA-N 286.371 3.544 0 40 CHAB CC1(C)C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)C1=O 4751447 NUIJVOVPORDSSK-JKSUJKDBSA-N 294.350 3.664 0 40 CHAB Cc1nn(-c2ccccc2)c(S)c1C(=O)c1ccccc1 5427307 BHSACAHFKVJVSE-UHFFFAOYSA-N 294.379 3.700 0 40 CHAB COc1ccc(NC(=O)CCCc2cccs2)cc1 5559942 WTXBZYHJXKKUTR-UHFFFAOYSA-N 275.373 3.718 0 40 CHAB CCC(=O)O[C@H]1C[C@@H](C)N(C(=O)CC)c2ccc(C)cc21 6461879 LCMYMLGTHSOTRB-DOMZBBRYSA-N 289.375 3.525 0 40 CHAB CC(C)COc1ccc(C(=O)NCCc2ccccc2)cc1 6654343 JWUYANXNNBGPEZ-UHFFFAOYSA-N 297.398 3.694 0 40 CHAB CCc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1 6790682 UEAXVTQIMWUFGD-UHFFFAOYSA-N 267.328 3.704 0 40 CHAB CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 7885456 LLJBMTPTYUQXTJ-NHYWBVRUSA-N 270.332 3.645 0 40 CHAB COc1ccc(C(=O)NCCC2CCCCCC2)cc1 10542437 GRXRQTHIIGUUJO-UHFFFAOYSA-N 275.392 3.786 0 40 CHAB c1cc(-c2nc(-c3ccncc3)c(-c3ccncc3)[nH]2)ccn1 12360675 YJOAHXHOXMAHOG-UHFFFAOYSA-N 299.337 3.596 0 40 CHAB Cc1nc2ccccc2nc1CSc1ccccn1 12545628 WHPPLCVPGKFAPS-UHFFFAOYSA-N 267.357 3.626 0 40 CHAB Clc1ccc2c(Nc3ccc4[nH]ncc4c3)ncnc2c1 12545951 IAHCMINMVVHOKP-UHFFFAOYSA-N 295.733 3.903 0 40 CHAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccoc3)c2C)cc1 12888297 UPQAABPQJSPDBH-UHFFFAOYSA-N 295.342 3.643 0 40 CHAB CC[C@H](C)c1ccc(NC(=S)N2CCCC2)cc1 13825743 WLAXXULXMMFIAQ-LBPRGKRZSA-N 262.422 3.993 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)c1sccc1C 15967010 WHGMGFUFKRSMPS-LLVKDONJSA-N 275.373 3.556 0 40 CHAB Cc1ccc2c(Cl)c(C)c(N3CCCC3)nc2n1 19897383 MDXZPDHOQIAVNF-UHFFFAOYSA-N 261.756 3.500 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)c1ccccc1 20492672 XHZGVJNARBMUKY-KRWDZBQOSA-N 283.371 3.815 0 40 CHAB O=C(Nc1ccc2[nH]ccc2c1)c1noc2c1CCCCC2 36359929 JKQZUOORBOWZCU-UHFFFAOYSA-N 295.342 3.677 0 40 CHAB Clc1ccnc(-c2cccc(Br)c2)n1 36882192 RFECNFBDJQGRBS-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB COc1ccc2c(c1OC)C[C@H](c1ccccc1)CC2=O 39235076 USXIKZJOBQKJFM-ZDUSSCGKSA-N 282.339 3.617 0 40 CHAB COC(=O)c1ccc(C(=O)N(c2ccccc2)C(C)C)cc1 40150721 VNCLOEBBGWWVLQ-UHFFFAOYSA-N 297.354 3.528 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1ccsc1 40534446 HKROUGIRTYZOIK-TZMCWYRMSA-N 261.390 3.768 0 40 CHAB COc1ccc(C(C)=O)cc1CN1CCC[C@H]1c1ccc[nH]1 40549107 VGPWZOALMNYLGL-KRWDZBQOSA-N 298.386 3.563 0 40 CHAB Cc1c(-c2cccc(F)c2)c(=O)oc2ccccc12 48326413 WPGVWHNAQCXEKA-UHFFFAOYSA-N 254.260 3.908 0 40 CHAB Cc1ccc(C(=O)CCC(=O)Nc2ccccc2)c(C)c1 49878166 GKDLUPIMNWAXPC-UHFFFAOYSA-N 281.355 3.905 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)c1cccs1 52567572 YSJFXBKIWQLFKE-NSHDSACASA-N 277.414 3.959 0 40 CHAB COc1ccc(C(=O)c2ccccc2Cl)c(C)c1 59803035 DCXCNRVTZOETJQ-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB Cc1nc(Oc2ccc(Cl)cc2)sc1C(=O)O 60165651 GKVDSLWWSHCCGE-UHFFFAOYSA-N 269.709 3.595 0 40 CHAB O=Cc1ccc(-c2ccc(F)c(F)c2F)cc1F 61837718 BOMLJAZGCWCPCF-UHFFFAOYSA-N 254.182 3.723 0 40 CHAB Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2ccccc2)s1 65591456 QIVHLIVLWRMRLN-NSHDSACASA-N 274.389 3.593 0 40 CHAB c1ccc(C[C@@H]2CCCCN2Cc2nnc(C3CC3)o2)cc1 69528536 NOGRBKPHZLJTAB-INIZCTEOSA-N 297.402 3.544 0 40 CHAB Fc1cc(Br)c2nc(Cl)ccc2c1 70055018 YMADBWLQIMWVPG-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB Cc1ccccc1N(C(=O)CCCn1ccnc1C)C(C)C 78111882 DZWGPKXOTSBZLN-UHFFFAOYSA-N 299.418 3.722 0 40 CHAB Fc1ccc(Br)c2ccnc(Cl)c12 82766617 WWUXGJPQCBYYDG-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB Cc1ccc([S@@](=O)Cc2cc(C)nc3ccccc23)nc1 83079747 JGNXIGIREYWYMZ-OAQYLSRUSA-N 296.395 3.554 0 40 CHAB C[C@H](NCCc1ccccc1)c1ccccc1-n1cccn1 84660906 OSIRJAVGPDFTAE-INIZCTEOSA-N 291.398 3.766 0 40 CHAB CC(C)c1ccc(/C=C/C(=O)NCC(F)(F)F)cc1 95349070 PLVWVUYDJDAWJX-VMPITWQZSA-N 271.282 3.502 0 40 CHAB COc1ccccc1C(=O)c1cccc(F)c1Cl 95917132 XJJNYASTYZCOTJ-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(S)nc(C(F)(F)F)c12 100747062 FMPXSYUWRRBPDK-SREIQFSDSA-N 288.338 3.959 0 40 CHAB C[C@@H]1CN(Cc2ccccc2)Cc2ccc(Cl)nc21 140427487 OJAHYZOCPNDRRI-GFCCVEGCSA-N 272.779 3.854 0 40 CHAB O=c1cc(C(F)(F)F)c2ccc(Br)cc2o1 144140850 CMOPCJXADWNLNZ-UHFFFAOYSA-N 293.038 3.574 0 40 CHAB O=C(c1ccc(Br)c(Cl)c1)C1CC1 166519457 NXOVRJFGJLOGEV-UHFFFAOYSA-N 259.530 3.695 0 40 CHAB O=C(/C=C/c1ccccc1Cl)Nc1ccn2nccc2c1 217951878 KAHISWXPYRAMNQ-AATRIKPKSA-N 297.745 3.640 0 40 CHAB CCC[C@H](C)NC(=O)COc1cc(C)ccc1C(C)C 222756874 RHPGATSHVCZOAZ-AWEZNQCLSA-N 277.408 3.802 0 40 CHAB CCCNCc1cccn1-c1ccc(Cl)cc1C 223686138 IVERHIYVNUFEOE-UHFFFAOYSA-N 262.784 3.939 0 40 CHAB CC[C@@H](C)Oc1ccccc1[C@@H](C)NCCCOC 225161652 RVPYOISYUKKLEQ-ZIAGYGMSSA-N 265.397 3.551 0 40 CHAB CCO[C@](C)(C(=O)Nc1ccc(OC(C)C)cc1)C1CC1 225722198 VCWAEFRWIURNHH-KRWDZBQOSA-N 291.391 3.618 0 40 CHAB CCc1[nH]c2ccc(SC)cc2c(=O)c1C(C)C 685937945 CNPZQLDHYXATJN-UHFFFAOYSA-N 261.390 3.936 0 40 CHAB O=C(Nc1ccc2nsnc2c1)c1ccccc1Cl 204474 KOWZPDKLMYYJTG-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB O[C@H](c1ccccc1)c1nc2cccc3cccc([nH]1)c32 2036482 QMRJCXWOVDWCOT-QGZVFWFLSA-N 274.323 3.798 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 509934 DHVJHBGQGYRHAI-AWEZNQCLSA-N 288.347 3.585 0 40 CHAB C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCC(N2CCCCCC2)CC1 4703442 PXTVFPROXZRZNC-FGTMMUONSA-N 288.479 3.539 0 40 CHAB CCCCc1nc2cc(Br)ccc2o1 22995869 VSYPJVIPHXEQPY-UHFFFAOYSA-N 254.127 3.933 0 40 CHAB C[C@@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2)C1 10541790 LAKLSGLQRZFYRL-CYBMUJFWSA-N 295.810 3.758 0 40 CHAB C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CNC[C@H]1[C@@H]2CC[C@H](C2)[C@H]1C 100688890 BYNFXCWZFITGRK-QIBDZQDVSA-N 261.453 3.940 0 40 CHAB COc1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1 55008564 BYKSFFSOWJMRHF-LJQANCHMSA-N 290.366 3.679 0 40 CHAB Cc1cc(C)cc(CSCC(=O)N2CCCCC2)c1 59503566 MOZBBJZFDCSHOZ-UHFFFAOYSA-N 277.433 3.549 0 40 CHAB CC(C)c1ccc([C@H](NC(=O)NC2CC2)C(C)C)cc1 10036069 BTFNJAAJUIWRIG-MRXNPFEDSA-N 274.408 3.969 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1 113950885 YHZKYIZKVGRUPL-QGZVFWFLSA-N 297.398 3.777 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)Cc2ccc(C)cc2)cc1 20502377 QPTZJGIERNWUAZ-OAHLLOKOSA-N 281.399 3.977 0 40 CHAB COc1ccc(OC)c(CC(=O)Nc2cc(C)ccc2C)c1 20447790 CJOLLXIUGKABPT-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB C[C@@H](NC(=O)NC1CCCCCCC1)c1ccccn1 29722794 GQDUTYJGOCLTJJ-CYBMUJFWSA-N 275.396 3.555 0 40 CHAB CCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 8881187 RBNMOTVISHQEPQ-UHFFFAOYSA-N 280.780 3.736 0 40 CHAB O=C(Cc1ccccc1F)Nc1ccc(F)c(Cl)c1 3565861 LBEPSEBDSJOQLB-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB O=C(NC1CCCCC1)c1csc(-c2ccccc2)n1 12930666 SPESUUGIJACFGG-UHFFFAOYSA-N 286.400 3.873 0 40 CHAB C[C@H](OC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1 21328992 ZJKHPFFQNPGQLG-JTQLQIEISA-N 284.290 3.620 0 40 CHAB CC(=O)N[C@H]1Sc2ccccc2N=C1c1ccc(C)cc1 6029807 CKFTUQSHNJHTSQ-KRWDZBQOSA-N 296.395 3.684 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)n[nH]2)cc1 14207755 WVJBYOKKVFIIAF-UHFFFAOYSA-N 295.317 3.777 0 40 CHAB O=C(Nc1ccc(Cl)cn1)[C@@H]1C[C@@H]1c1cccc(F)c1 67030291 AJFJKCYTLANBIX-CHWSQXEVSA-N 290.725 3.616 0 40 CHAB Cc1csc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 6999777 FSMYZBREXWGYGK-MRVPVSSYSA-N 292.429 3.890 0 40 CHAB OC1=NC(=S)S/C1=C\c1cccc(Cl)c1 16989541 RUBMOEKDIMPMHT-YVMONPNESA-N 255.751 3.669 0 40 CHAB in-vitro Cc1ccc(CCC(=O)Nc2nc(C)c(C)s2)cc1 27756798 LICKBSSJGXKXKZ-UHFFFAOYSA-N 274.389 3.640 0 40 CHAB CCn1c(SCc2ccccc2F)nnc1C1CC1 17007829 MZFNZUKPGNJCOI-UHFFFAOYSA-N 277.368 3.607 0 40 CHAB Cc1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)on1 69629195 OJNBRYFWDZSIEQ-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc2[nH]ccc2c1 71886388 SZTLWWVBPVDTKN-UHFFFAOYSA-N 296.374 3.814 0 40 CHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1F 17741991 ACLMEOCRVZGLQF-UHFFFAOYSA-N 293.301 3.535 0 40 CHAB COc1ccccc1C(=O)NCCCc1ccc(C)cc1C 21938036 QLNKVTYMBVIONE-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB Cc1ccc(N2CCC(N[C@@H](C)c3ccc(C)o3)CC2)nc1 95968423 XOZDYDXWMSJQLP-HNNXBMFYSA-N 299.418 3.611 0 40 CHAB COc1ccc(S[C@@H](C)C(=O)O)c(Cl)c1Cl 34765336 UHYAPYVXXQIHLF-YFKPBYRVSA-N 281.160 3.567 0 40 CHAB Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 36139658 JQECTGHFZQWDCJ-UHFFFAOYSA-N 280.371 3.848 0 40 CHAB C[C@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ccccc1 36139530 OMVSVZBHSNGVEM-HNNXBMFYSA-N 294.398 3.778 0 40 CHAB COC(=O)[C@@H](CSc1ccccc1)c1ccccc1 73633147 MDFKQAGNLYJOLS-HNNXBMFYSA-N 272.369 3.736 0 40 CHAB COc1ccc(/C=C/C(=O)N(C)Cc2ccc(C)cc2)cc1 216333696 KPWBHVPFURENHJ-JLHYYAGUSA-N 295.382 3.675 0 40 CHAB COc1ccc(Cl)cc1C(=O)Cc1cccs1 38126024 RCIGGLAKZMYXMG-UHFFFAOYSA-N 266.749 3.836 0 40 CHAB CCCN1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 72213856 ZICVQQHMNWOSBL-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB COc1cccc(C[S@@](=O)[C@@H](C)c2ccccc2F)c1 78556250 GHPZPTGGKDRUBW-YUNKPMOVSA-N 292.375 3.844 0 40 CHAB Cc1nc(NC(=O)c2ccc(-c3ccco3)o2)sc1C 72243261 HUSFBDKJRILYJM-UHFFFAOYSA-N 288.328 3.865 0 40 CHAB Cc1cccc(CC(=O)Nc2c(C)cccc2C)c1 85414368 NYZLLSNDFPAJOD-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB Cc1ccc(CC(=O)NC[C@H](C)c2ccccc2)c(C)c1 225134832 SWIAODXYWIBYST-INIZCTEOSA-N 281.399 3.766 0 40 CHAB Cc1cc(N)c(N2CCCC[C@@H]2C)c(Br)c1 45886223 DBMKPDMHNYWTPT-JTQLQIEISA-N 283.213 3.719 0 40 CHAB COC(C)(C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225600453 LVZXZJGEIFDTKW-UHFFFAOYSA-N 293.407 3.702 0 40 CHAB Cc1ccc([C@@H]2OCCN(Cc3ccccc3)[C@@H]2C)cc1 140727037 MRJDEFWKIOSCAG-VQIMIIECSA-N 281.399 3.957 0 40 CHAB Fc1ccc(OC(F)(F)Cl)cc1Br 95215521 CFFWYMNSOBOUDB-UHFFFAOYSA-N 275.451 3.756 0 40 CHAB COc1cccc(F)c1C(=O)c1cc(F)cc(Cl)c1 95916198 WOAWTEFCLQKPGQ-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB O=C(/C=C/c1ccoc1)N1CCC(c2ccsc2)CC1 96120618 BXGOXYQNZVEYES-OWOJBTEDSA-N 287.384 3.761 0 40 CHAB Cc1ccc(NC(=O)N(Cc2ccccn2)C(C)C)cc1 56358913 GYVHDDDGLZOOON-UHFFFAOYSA-N 283.375 3.833 0 40 CHAB O=C(Nc1c(F)cccc1Br)[C@H]1CC=CCC1 84246021 IDGAEQSMYNIULJ-VIFPVBQESA-N 298.155 3.883 0 40 CHAB OCc1cccc(COc2ccccc2Br)c1 1775953500 ZSMURYFMIMIEIL-UHFFFAOYSA-N 293.160 3.520 0 40 CHAB CC[C@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)cc1 84734066 DSHLPNCDNJEMLA-HOCLYGCPSA-N 287.382 3.641 0 40 CHAB CSc1ccc(CNc2nccc(C(F)(F)F)n2)cc1 95954776 GNCJXKLQLHUKQX-UHFFFAOYSA-N 299.321 3.829 0 40 CHAB C[C@@H]1CNC[C@H](c2ccc(Cl)c3ncccc23)C1 1772715123 DBXGCVDZFJETTD-WDEREUQCSA-N 260.768 3.601 0 40 CHAB Cc1nc2cc(C(F)(F)F)cc(N)c2n1-c1ccccc1 13211963 NDAJYHJQYNZDLT-UHFFFAOYSA-N 291.276 3.935 0 40 CHAB COC(=O)c1cc2oc(C)cc2n1Cc1ccc(F)cc1 13564601 DQMHMCVZLZXLGC-UHFFFAOYSA-N 287.290 3.517 0 40 CHAB O=C(Nc1ccccn1)C12CC3C[C@H](CC[C@H](C3)C1)C2 16184075 AWOLXBUPSZYHME-HFZWIWRYSA-N 270.376 3.627 0 40 CHAB Cc1ccc(C(=O)NC2C(C)(C)CC(=O)CC2(C)C)cc1 16291981 MMXGNQVPLOUMJV-UHFFFAOYSA-N 287.403 3.509 0 40 CHAB O=C(NCCc1ccccc1)c1ccc2c(c1)CCCC2 17335330 ZVLNQARJRGPVGR-UHFFFAOYSA-N 279.383 3.538 0 40 CHAB Cc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 19210413 ALORKWNBAKCZQS-FUHWJXTLSA-N 284.403 3.792 0 40 CHAB O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)on1 20081476 BNXVUFWYOPFLPL-UHFFFAOYSA-N 265.268 3.707 0 40 CHAB in-vitro Cc1cc(Cl)ccc1N[C@@H](C)C(=O)NC1CCCC1 8038361 SQTMSOPJTBDJLA-NSHDSACASA-N 280.799 3.508 0 40 CHAB c1cc2c(cc1-c1csc(C3CC3)n1)OCCCO2 28334773 JWRGZMJGWGCIRI-UHFFFAOYSA-N 273.357 3.849 0 40 CHAB CC(C)NCc1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 50479187 AFLXBLQMPALRBN-UHFFFAOYSA-N 284.190 3.882 0 40 CHAB Cc1csc(CNC(=O)Nc2ccc(Cl)cc2C)n1 40525596 WCGALGPTHKQDQB-UHFFFAOYSA-N 295.795 3.735 0 40 CHAB CC(C)CCO[C@H](CN1CCCC1)c1ccccc1 35 ISRODTBNJUAWEJ-QGZVFWFLSA-N 261.409 3.886 0 40 CHAB in-man CCOc1ccc(C2N(C)c3ccccc3N2C)cc1 44034 NAUNGXOLCAXCQZ-UHFFFAOYSA-N 268.360 3.670 0 40 CHAB CC(C)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 356869 CIOQUUUMMYPGKD-UHFFFAOYSA-N 265.312 3.611 0 40 CHAB O=C1c2ccccc2C(=O)N1c1c(Cl)cccc1Cl 362524 RWRDFFOQBMNMIH-UHFFFAOYSA-N 292.121 3.794 0 40 CHAB O=C(O)c1ccccc1-c1nc2ccccc2s1 1420689 IUHKJRBEJIXPHA-UHFFFAOYSA-N 255.298 3.662 0 40 CHAB CCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1705400 WJNSKWQHPHCZAB-UHFFFAOYSA-N 282.339 3.880 0 40 CHAB CN(C)[P@]1(=O)OC[C@@H](C(C)(C)C)CN1c1ccccc1 1872352 ZBODYXOCADRNMW-RBZFPXEDSA-N 296.351 3.855 0 40 CHAB c1ccc([C@H]2C[C@H]2c2nc3c4ccccc4ncn3n2)cc1 2806336 QXEYATMVHAUKCN-HUUCEWRRSA-N 286.338 3.549 0 40 CHAB Cc1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1 3078603 NHYMUMWTDBCOOF-UHFFFAOYSA-N 272.373 3.583 0 40 CHAB CCOc1cc(C)c2c(=O)c(-c3ccccn3)c(C)oc2c1 3216442 BULRGTYASNYSJZ-UHFFFAOYSA-N 295.338 3.871 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 5467688 CACPCHOMMQXGKX-RKDXNWHRSA-N 290.190 3.675 0 40 CHAB CCOc1cccc([C@@H](Cc2ccccc2)NC)c1 6411355 BHSRWFSOFWREBM-QGZVFWFLSA-N 255.361 3.589 0 40 CHAB Cc1ccc2nc(SC[C@H]3CCCCO3)[nH]c2c1 6506641 OHPXLGAVCLQUJW-LLVKDONJSA-N 262.378 3.533 0 40 CHAB COc1ccc(C)cc1NC(=O)CCc1ccccc1F 8269009 OZCHTRRBLDRUJB-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB COc1cccc(C(=O)Nc2ccc3ncsc3c2)c1 10217162 IDGZKJMKGXBUPR-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB O=C(Cc1ccc(Cl)cc1)NCC1(c2ccccc2)CC1 11899215 CIMJQEHQYRBNNS-UHFFFAOYSA-N 299.801 3.731 0 40 CHAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccco2)on1 12944735 QOKUNDUCGJDODL-UHFFFAOYSA-N 298.298 3.504 0 40 CHAB CC(C)=CCOc1cc2occc2c2oc(=O)ccc12 14557928 KRMAZPGDYXHYMX-UHFFFAOYSA-N 270.284 3.884 0 40 CHAB biogenic C[C@H]1C[C@@H](C)CN(C(=O)c2cc3c(s2)CCCC3)C1 15905930 BUELXSQUPNGNNR-TXEJJXNPSA-N 277.433 3.745 0 40 CHAB COc1cccc([C@@H](C)NC(=O)c2ccc(Cl)cc2)c1 17022300 GYMGAEDQELJQCI-LLVKDONJSA-N 289.762 3.840 0 40 CHAB Cc1cccc(CN2CC[C@@H](c3nc(C(C)(C)C)no3)C2)c1 19234946 WHZHZJXFJUHVRH-OAHLLOKOSA-N 299.418 3.665 0 40 CHAB N[C@@H](COc1ccccc1)c1cccc2ccccc12 19261067 YFAUMLMCDQTERU-SFHVURJKSA-N 263.340 3.919 0 40 CHAB CC(C)C(NC(=O)[C@H](C)Oc1cccc(Cl)c1)C(C)C 20042127 PLPPFIKQQRMUSJ-LBPRGKRZSA-N 297.826 3.904 0 40 CHAB COc1ccccc1CN(C)C(=O)Cc1cc(C)ccc1C 20489257 OQEUQEYONGNSBL-UHFFFAOYSA-N 297.398 3.513 0 40 CHAB O=C(O)CC(Cc1ccccc1)Cc1ccccc1 20563978 RACFIUFPANWJHA-UHFFFAOYSA-N 254.329 3.563 0 40 CHAB Cc1ccc(CN2C(=O)[C@H](C)CNc3ccccc32)cc1 21793408 WWNMJSJCWRRYPO-CQSZACIVSA-N 280.371 3.590 0 40 CHAB CCC(=O)N[C@H]1Sc2ccccc2N=C1c1ccccc1 27061594 LLRPKEPBYCNPFT-KRWDZBQOSA-N 296.395 3.765 0 40 CHAB CC(C)CCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 30849632 HLEHWEXDUNJLOW-CQSZACIVSA-N 277.408 3.740 0 40 CHAB CCCCNC(=O)N[C@H](C)c1cccc(Br)c1 32795111 KZOGACVOLIPRSV-SNVBAGLBSA-N 299.212 3.609 0 40 CHAB CC[C@H](NC(=S)Nc1cccc(C)n1)c1ccccc1 33495526 SEKWCLLQVYUNJE-AWEZNQCLSA-N 285.416 3.828 0 40 CHAB FC(F)(F)Cn1c(-c2ccccc2)c[nH]c1=S 36903912 VGMDTVDXUFYCPS-UHFFFAOYSA-N 258.268 3.775 0 40 CHAB in-vitro CC(C)(C)c1nn(-c2ccccc2Cl)cc1C=O 37295198 POXLEZJZBOEOGA-UHFFFAOYSA-N 262.740 3.636 0 40 CHAB in-vitro Cc1c(Cl)cccc1Nc1ccc(C(=O)O)cc1N 37930308 ZQCINFMSADJTMH-UHFFFAOYSA-N 276.723 3.672 0 40 CHAB O=C(N[C@H]1C[C@@H]1c1ccccc1)C1(c2ccccc2)CCC1 67512952 BXLLLBZWPBCJGF-MSOLQXFVSA-N 291.394 3.781 0 40 CHAB CCOc1ccc(-c2cc(Cl)nc(Cl)n2)cc1 71600252 GONFBGGRSMWHGI-UHFFFAOYSA-N 269.131 3.849 0 40 CHAB Fc1cc2ncnc(N3CCC[C@@H]4CCC[C@@H]43)c2cc1F 76063687 XXQWQNKEUFFCOZ-BONVTDFDSA-N 289.329 3.677 0 40 CHAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2C(C)(C)C 79491339 UXFCAFDINWTHOR-JTQLQIEISA-N 283.397 3.592 0 40 CHAB Cc1ccc([C@@H](C)NC[C@@H](C)c2c(C)noc2C)o1 90727903 QOPZJJRSBOSIGO-MWLCHTKSSA-N 262.353 3.647 0 40 CHAB C[C@@H](NCc1ccc(Br)cc1)C1CCC1 95967495 PNCACSGFHXHEJN-SNVBAGLBSA-N 268.198 3.727 0 40 CHAB C[C@H]1CCCC[C@@H]1N(C)Cc1nnc(C2CC2)n1C1CC1 97103351 ONURQICLVRDFQL-WFASDCNBSA-N 288.439 3.501 0 40 CHAB CC(=O)c1c(C)n(-c2ccccc2)c2cc(O)ccc12 97165849 NTWCQCHLXUKWIH-UHFFFAOYSA-N 265.312 3.847 0 40 CHAB c1ccc([C@H]2CCC[C@H]2NCc2nnc(C3CCC3)o2)cc1 133552900 WKFWNBHSASJUJF-HZPDHXFCSA-N 297.402 3.763 0 40 CHAB CCc1ccc(NC(=O)c2cnc(C(C)C)nc2C)cc1 222569818 VGAGVZGQTTZCHQ-UHFFFAOYSA-N 283.375 3.723 0 40 CHAB CC[C@@H](C(=O)OC)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223200596 LPLFPNHBHVLNBI-FZMZJTMJSA-N 293.382 3.870 0 40 CHAB CC(C)(C)SCCNC(=O)CCc1ccc(Cl)cc1 225303397 JNTHEPOPMWZWIB-UHFFFAOYSA-N 299.867 3.921 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1CC[C@H](O)C(C)(C)C 242687703 UQWKTINIAKDQEY-STQMWFEESA-N 285.428 3.573 0 40 CHAB O=C1CS[C@H](c2ccco2)N1c1ccc(Cl)cc1 408558228 SKLZFCUOVLYNBY-CYBMUJFWSA-N 279.748 3.712 0 40 CHAB Cc1nnc(SCCc2ccccc2)n1-c1ccccc1 409094690 GCVWPDAYHJQOQV-UHFFFAOYSA-N 295.411 3.911 0 40 CHAB CSc1nc2ccccc2n1C(=O)Oc1ccccc1 32627 CJXRMCAPYHIVLL-UHFFFAOYSA-N 284.340 3.805 0 40 CHAB CC(C)c1nnc(NC(=O)c2ccccc2Cl)s1 112258 CARCVHGZYDFAFH-UHFFFAOYSA-N 281.768 3.567 0 40 CHAB CCc1ccc(NC(=O)C2SCSCS2)cc1 114478 BJZCUOAGIADAMD-UHFFFAOYSA-N 285.459 3.642 0 40 CHAB COc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 175317 LLYWXSGKKWFVTG-UHFFFAOYSA-N 290.388 3.824 0 40 CHAB CCc1ccc(C)c(OC(=O)c2ccccc2OC)c1 363956 DNHFESBFXPVLBX-UHFFFAOYSA-N 270.328 3.785 0 40 CHAB O=c1c2c([nH]c3ccc(Br)cc13)CCCCC2 581026 PXMWGLBKZUXLTH-UHFFFAOYSA-N 292.176 3.560 0 40 CHAB O=S1(=O)CC[C@H](Sc2ccccc2)c2ccsc21 1398494 WBOPFGHZQCCSSV-LBPRGKRZSA-N 296.438 3.759 0 40 CHAB Clc1ccc(-n2cnc3c(Cl)ncnc32)cc1Cl 1666475 ASKARCAMHVZZGR-UHFFFAOYSA-N 299.548 3.776 0 40 CHAB CCCCC(=O)Nc1sc(C)c(C)c1C(=O)OCC 1934574 PNDNMWAWORPDFD-UHFFFAOYSA-N 283.393 3.670 0 40 CHAB CCCc1cc2c3c(c(=O)oc2cc1OCC)CCC3 2090561 SLHXGBSBXIJANQ-UHFFFAOYSA-N 272.344 3.633 0 40 CHAB biogenic CCCC[C@]1(CC)NC(=S)N(c2ccc(Cl)cc2)N1 2318967 UVTBNDSWARUNGE-CQSZACIVSA-N 297.855 3.836 0 40 CHAB CNc1nc(-c2c(C)n(C)c3cc(C)ccc23)cs1 2338722 CIABDJVJWNOGCS-UHFFFAOYSA-N 271.389 3.960 0 40 CHAB Cc1cc(-c2csc(N)n2)c(C)n1CCC(C)C 3407365 AQUPQSKKPQZNIP-UHFFFAOYSA-N 263.410 3.857 0 40 CHAB in-vitro Cc1c(Cl)cccc1NC(=O)Cc1ccccc1F 3554178 BOMNCWGWODQHJS-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB Fc1ccc(-c2ccc(SCc3cccnc3)nn2)cc1 4271870 WNJACJSFKCNTTM-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB CCN(C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C)c1ccccc1 4811224 XESKLOIXNRTXCD-MOPGFXCFSA-N 299.414 3.825 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cn(C)c2ccccc12 5265692 JLIYNKZKLNKSSI-OCCSQVGLSA-N 285.391 3.879 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)cc2F)c(C)c1 5558632 KAXVGGULXGRNNZ-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccc(OC)cc1OC 6043125 VSMSFFIVEXYRSZ-ZDUSSCGKSA-N 293.407 3.650 0 40 CHAB CCN(CC)c1ccc(NC(=O)Cc2cccs2)cc1 6152640 UZHNUYAOKCPRAM-UHFFFAOYSA-N 288.416 3.776 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1cc2c(s1)CCC2 7801864 JEHMISARJBSRCE-UHFFFAOYSA-N 283.396 3.978 0 40 CHAB CCCC(CCC)C(=O)Nc1cc(OC)ccc1OC 8714261 REUFOOPQCZSFRH-UHFFFAOYSA-N 279.380 3.859 0 40 CHAB CCc1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1 8752590 REIBMRWGEOSKEB-UHFFFAOYSA-N 299.399 3.758 0 40 CHAB O=C(Nc1ccccc1SC(F)F)c1ccco1 9609523 DNJYAJKCFJVLOO-UHFFFAOYSA-N 269.272 3.847 0 40 CHAB Cc1cc(OCc2ccc(C(=O)O)s2)ccc1Cl 12357608 WYSDZWJUDBKFLF-UHFFFAOYSA-N 282.748 3.987 0 40 CHAB CC(C)CCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 12525613 UFPJBPJMGXEUFW-AWEZNQCLSA-N 299.418 3.705 0 40 CHAB Cc1nc(NC(=O)c2c(C)oc(C)c2C)sc1C 13015626 URCSULCKZZMWHB-UHFFFAOYSA-N 264.350 3.531 0 40 CHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=N)S 13545395 BLDCXVWPXBITNH-UHFFFAOYSA-N 270.716 3.698 0 40 CHAB CC(C)COc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 20092444 HZESBAYBKQOVNF-YOEHRIQHSA-N 277.408 3.551 0 40 CHAB C[C@@H](NCc1cc(Br)cs1)c1cccnc1 20306504 WCVZTBNTZQXBMG-SECBINFHSA-N 297.221 3.756 0 40 CHAB Cc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1F 28223014 OBKSZQDNXIDJQS-UHFFFAOYSA-N 287.338 3.698 0 40 CHAB Cc1ccc(F)c(NC(=O)Cc2csc(C(C)C)n2)c1 31678123 LKINUQXGMXYTCB-UHFFFAOYSA-N 292.379 3.895 0 40 CHAB O=C(Nc1cccc(Br)c1)OCC(F)(F)F 32628771 FDTBGHDNTIZVBX-UHFFFAOYSA-N 298.058 3.560 0 40 CHAB in-vitro CCCOc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 40104861 WUGCUFJECVGYHC-ZDUSSCGKSA-N 276.380 3.739 0 40 CHAB Cc1ccc(CNCc2c(Cl)nc3sccn23)cc1 40513722 SIOGPMUBERJMCE-UHFFFAOYSA-N 291.807 3.647 0 40 CHAB Cc1ccc(NC(=S)NCCSC2CCCC2)cc1 46417198 NQFLSRBMLQQAIA-UHFFFAOYSA-N 294.489 3.957 0 40 CHAB Fc1ccc(-c2csc(-c3cnccn3)n2)cc1F 48640740 WAPSZKVLWKCNGA-UHFFFAOYSA-N 275.283 3.545 0 40 CHAB Cc1cc(NC(=O)N2CCCCC[C@H]2c2ccco2)no1 76937571 FUIPDMKFFGWRNN-LBPRGKRZSA-N 289.335 3.725 0 40 CHAB CC(C)(C(=O)O)c1csc(Nc2ccc(Cl)cc2)n1 78404227 TUQUIUYGAQCVFC-UHFFFAOYSA-N 296.779 3.902 0 40 CHAB CCC[C@H]1[C@@H](C)CCCN1c1nccc(C(F)(F)F)n1 79017597 RPOAMHDOVJOVHP-QWRGUYRKSA-N 287.329 3.900 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cccc(F)c1 83264798 JAUWMCYQJHYODV-AWEZNQCLSA-N 294.370 3.637 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1cccc(F)c1Cl 89064212 SXNZKQUKEOECJA-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB CCc1cc(CN[C@@H](CC)c2ccc(F)cc2F)on1 95423058 FAPGTYGALURDMX-HNNXBMFYSA-N 280.318 3.756 0 40 CHAB CCCCN(C)C(=O)c1cc2c(c3ccccc3n2C)n1C 96037253 PMFUJUKCOVEJKL-UHFFFAOYSA-N 297.402 3.542 0 40 CHAB C[C@H]1CCN(C(=O)CCc2ccco2)[C@H](c2ccco2)C1 96441263 ZGQZSBFWERQWPH-ZFWWWQNUSA-N 287.359 3.805 0 40 CHAB COC[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 127495191 DCLWKIWDAOWICU-TUAOUCFPSA-N 291.313 3.678 0 40 CHAB CC(C)c1ccc(NC(=O)c2cnc(C3CC3)nc2)cc1 222593935 SNTJJESNPLCKHB-UHFFFAOYSA-N 281.359 3.730 0 40 CHAB CC(C)C1(NC(=S)Nc2ccccc2)CCCC1 225840313 QBBZCIOUHNQNDG-UHFFFAOYSA-N 262.422 3.942 0 40 CHAB CCCOc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1 226274536 WEHSCFGWAHXVEN-ZDUSSCGKSA-N 299.370 3.781 0 40 CHAB Cc1cc([C@H](O)c2cccc3ccccc23)ccc1N 226294621 JWGXUTSAAOAFMK-SFHVURJKSA-N 263.340 3.812 0 40 CHAB O=C(c1ccc(Cl)cc1F)C(F)(F)Br 307695668 FTVYVAUMFBFDEQ-UHFFFAOYSA-N 287.462 3.650 0 40 CHAB CC(C)(C)CC(=O)N1CCc2sc(Cl)cc2C1 335441431 LWYCUALJBZKGAS-UHFFFAOYSA-N 271.813 3.722 0 40 CHAB CCN(CC)CCCNC1C[C@@H](C(C)C)O[C@H](C(C)C)C1 524734828 BPDWPZDLLOSKQI-ROUUACIJSA-N 298.515 3.536 0 40 CHAB Fc1ccc(SC(F)F)cc1Br 604221847 MCSNIKNWRUNHIT-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 105426 XKWFOBCQTFWUBH-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 124606 IUEWWCWEHICLIM-UHFFFAOYSA-N 274.176 3.511 0 40 CHAB CC(C)c1ccccc1OCC(=O)NCc1ccccc1 516677 GUVPXIHXGTYRSX-UHFFFAOYSA-N 283.371 3.505 0 40 CHAB O=C(COc1cccc2ccccc12)N1CCCCCC1 559807 DEZCAERAEJTJCE-UHFFFAOYSA-N 283.371 3.621 0 40 CHAB CCN[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1665864 WUTPZXNDFFUYFZ-SFHVURJKSA-N 285.387 3.597 0 40 CHAB CN1c2ccccc2Sc2c(C(=O)O)cccc21 1671863 ASVSFECOMCLVNF-UHFFFAOYSA-N 257.314 3.617 0 40 CHAB CCCCNc1c(CN)cnc2cc(Cl)ccc12 1683338 LKEMVVCLTDWQJE-UHFFFAOYSA-N 263.772 3.559 0 40 CHAB in-vitro COc1ccccc1[C@@H](C)S[C@H](C)c1nnc(C)o1 79010744 NIQYBBAGAAUXSB-NXEZZACHSA-N 278.377 3.942 0 40 CHAB Cc1cccc(NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c1 79100240 FXNGNVKSPJZMQX-CQSZACIVSA-N 298.386 3.796 0 40 CHAB CCOc1ccc2[nH]c3c(NCCC(C)C)ncnc3c2c1 543752 BZDHPBFXZSBXFJ-UHFFFAOYSA-N 298.390 3.968 0 40 CHAB CC(C)OC(=O)c1cccc(-c2cccc(N)c2)c1 2528971 UAYJZJLGTXJRKF-UHFFFAOYSA-N 255.317 3.501 0 40 CHAB CC[C@@H](NC1CC1)c1ccc(Br)cc1 22176981 BXXKISRNSWZPIZ-GFCCVEGCSA-N 254.171 3.652 0 40 CHAB CCCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1 7668767 XDZHWNIFZSHWBT-UHFFFAOYSA-N 283.371 3.748 0 40 CHAB CC(C)Oc1ccc([C@H](NCCCN(C)C)C(C)C)cc1 12391219 GAJWPYHCHMVONZ-GOSISDBHSA-N 292.467 3.712 0 40 CHAB Cc1ccc(CCC(=O)Nc2nc3ccccc3s2)o1 3156191 ICZFZGDOZBDFPP-UHFFFAOYSA-N 286.356 3.769 0 40 CHAB CCCc1sc(C(=O)Nc2ccncc2)cc1CC 12513610 GPZNXGVVRVKMMN-UHFFFAOYSA-N 274.389 3.910 0 40 CHAB CN(C(=O)c1cccc(OC(F)F)c1)C1CCCCC1 3231108 HHBCLPTZCSXPIO-UHFFFAOYSA-N 283.318 3.693 0 40 CHAB O=C(NCCCn1ccc2ccccc21)c1ccccc1F 12634456 PGCFJMIAUDBCHL-UHFFFAOYSA-N 296.345 3.601 0 40 CHAB Cc1cnc(NC(=O)c2nc(-c3ccccc3)oc2C)s1 12602358 PIFCRYHLICTVQP-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)CC(C)(C)C 58209011 QQFLYHGYTXGEQC-UHFFFAOYSA-N 282.771 3.673 0 40 CHAB NC(=O)c1cccnc1Oc1ccc(-c2ccccc2)cc1 12736715 JCSOCCGYGBCKON-UHFFFAOYSA-N 290.322 3.640 0 40 CHAB Clc1ccccc1C[N+]1=Cc2ccsc2CC1 65739349 RLTCLQFOWWSHJX-UHFFFAOYSA-N 262.785 3.589 0 40 CHAB endogenous,world CCN(Cc1cccs1)C(=O)Nc1cccc(OC)c1 11553366 ROJWOKGTCYBPBH-UHFFFAOYSA-N 290.388 3.811 0 40 CHAB CNCc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 4218917 VJRYNAGIPGBFTF-UHFFFAOYSA-N 291.398 3.876 0 40 CHAB O=C1CCCc2nccc(-c3ccc(Cl)cc3)c21 14163975 HSXKMTABKZDRCD-UHFFFAOYSA-N 257.720 3.921 0 40 CHAB COc1cccc(-c2csc(-c3ccncc3)n2)c1 19620732 ITPPRKAZUXQSOK-UHFFFAOYSA-N 268.341 3.881 0 40 CHAB COc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1 7829356 XQPBPVSVNRTXDX-NSHDSACASA-N 287.384 3.516 0 40 CHAB CCCCCNCc1ccccc1Br 19901538 PPNAFAWOJRKMQQ-UHFFFAOYSA-N 256.187 3.729 0 40 CHAB CC(C)n1cc([C@@H](C)N[C@H]2CCc3c(O)cccc32)cn1 95421941 QMPXRMXNGQRQTC-WBMJQRKESA-N 285.391 3.508 0 40 CHAB Cc1ccc(/C=C2\Sc3ccccc3NC2=O)o1 409103947 HWFGVFQJSARPSD-JYRVWZFOSA-N 257.314 3.673 0 40 CHAB Cc1ccc([S@](=O)c2nccc3ccccc23)cc1 33369121 NOSZQBMCEANHMF-LJQANCHMSA-N 267.353 3.710 0 40 CHAB COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 70461565 YWPLFPQHWZFMJE-UHFFFAOYSA-N 287.702 3.935 0 40 CHAB CC(C)(C(=O)O)c1ccc(-c2ccccc2F)cc1 33427256 OMNIFDLOYJSTJZ-UHFFFAOYSA-N 258.292 3.855 0 40 CHAB CC(C)N1CCC[C@@H](Cc2cccc(Br)n2)C1 72363352 PVZVDGJSUZKDBO-LBPRGKRZSA-N 297.240 3.507 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)c2cccc(F)c2)cc1 36623423 FHIDFDVQAYMROT-GFCCVEGCSA-N 271.335 3.879 0 40 CHAB Cc1cc(C)c(Cn2c(C=O)nc3ccccc32)c(C)c1 41058263 HXIWWDAGEYJEEU-UHFFFAOYSA-N 278.355 3.822 0 40 CHAB CCN(C(=O)Nc1ccc(Br)c(C)c1)C1CC1 43260712 PTNAHVHBYMCRTC-UHFFFAOYSA-N 297.196 3.774 0 40 CHAB Cc1cc(O)c(NC(=O)COc2cccc(C)c2C)cc1C 41091622 UTXDVCRTDLBWJQ-UHFFFAOYSA-N 299.370 3.643 0 40 CHAB CCc1ccc(CC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 225098838 DINSBEKTBOSYLZ-HNNXBMFYSA-N 281.399 3.977 0 40 CHAB Clc1ccc(-c2nc([C@@H]3CCOC3)no2)c(Cl)c1 89768403 OEKZRFINYOQZLT-SSDOTTSWSA-N 285.130 3.547 0 40 CHAB Cc1ccc(Oc2cccc(/C=C/C(=O)O)c2)cc1 44201202 HRIDVASNNJMFKL-JXMROGBWSA-N 254.285 3.885 0 40 CHAB CCOc1cc(Cl)cc(C=O)c1OCC(C)C 225274515 CZIGQZCNUWCCBL-UHFFFAOYSA-N 256.729 3.586 0 40 CHAB Cc1occc1C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 84041847 PMKMLRMRQIWYLI-HNNXBMFYSA-N 297.354 3.764 0 40 CHAB Cc1cc(C(=O)C(F)(F)C(F)(F)F)ccc1F 95917025 SLHXTCSMAMWYEE-UHFFFAOYSA-N 256.145 3.514 0 40 CHAB CCOc1cc(CNC[C@@H]2CCCO2)cc2ccccc12 96527848 VHWOKDMIJJWSFO-INIZCTEOSA-N 285.387 3.507 0 40 CHAB Cc1cc(OC(=O)c2ccccc2)c2ccccc2n1 98180483 HWJPNWYLLYAXLA-UHFFFAOYSA-N 263.296 3.762 0 40 CHAB O=C(O)c1sccc1OCc1ccccc1Cl 96320083 HHEMELAEZVXROT-UHFFFAOYSA-N 268.721 3.679 0 40 CHAB O=C(C1CCCCCC1)N1CCc2sccc2C1 95350475 PMXULNFRKVYWIK-UHFFFAOYSA-N 263.406 3.603 0 40 CHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@H]2O 253617462 NVKAWKQGWWIWPM-CUURYPBKSA-N 290.447 3.959 0 40 CHAB COC(=O)[C@H](C(C)C)N1c2ccccc2[C@H](C)CC1(C)C 260613229 FAXJDZLMXHRLCK-CJNGLKHVSA-N 289.419 3.976 0 40 CHAB CC[C@@H](C(=O)O)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616237 HFEZZAMITOHSKB-YPMHNXCESA-N 291.391 3.651 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CCC(N)CC2)C(C)(C)C1 1083104342 HRPQVDZBNDEAFU-UHFFFAOYSA-N 296.455 3.541 0 40 CHAB CCc1ccsc1C(=O)N1CCC[C@H]1c1cc(C)on1 48890774 ACRBVVAZESZDGL-ZDUSSCGKSA-N 290.388 3.584 0 40 CHAB CCOc1ccccc1C(=O)N1CCSc2ccccc21 57337958 CAGVMNJJGYIZDC-UHFFFAOYSA-N 299.395 3.838 0 40 CHAB CNc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 13283600 YTTXTRLDXKUQMC-UHFFFAOYSA-N 257.724 3.925 0 40 CHAB Fc1ccccc1-c1cc([C@@H]2CCCCCN2)on1 13566800 KBRWJJFDVOZCAC-ZDUSSCGKSA-N 260.312 3.685 0 40 CHAB CCCCNCc1ccc(-c2cccc(C(=O)O)c2)o1 13730312 KLQCBLMZMMXHTK-UHFFFAOYSA-N 273.332 3.535 0 40 CHAB Cc1cccc(-n2c(S)nnc2-c2ccccc2)c1C 13998523 KLCVXJYTHLGMCP-UHFFFAOYSA-N 281.384 3.840 0 40 CHAB C[C@H]1CCC[C@H](N2CCN(C[C@H]3CC=CCC3)CC2)C1 19900122 PRIBEPJSCZVEBS-BZSNNMDCSA-N 276.468 3.539 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1ccc(C(=O)OC)cc1 2086253 POTRTBFIWGRGNI-LBPRGKRZSA-N 277.364 3.628 0 40 CHAB c1ccc2c(c1)C[C@H]1OC(c3cc4ccccc4cn3)=N[C@@H]21 1942114394 JFSAIBFTWVJDLD-MSOLQXFVSA-N 286.334 3.678 0 40 CHAB Cc1cc(C)cc(Oc2cncc([C@@H]3CCCN3)c2)c1 2037873387 GLPHZVNTSIWENW-KRWDZBQOSA-N 268.360 3.915 0 40 CHAB CCCCC(=O)Nc1nc2c(OC)ccc(C)c2s1 2713949 QGYPWWDVMZVKBP-UHFFFAOYSA-N 278.377 3.742 0 40 CHAB CCOC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280155 VCEDSXBXHVDKOI-UHFFFAOYSA-N 287.344 3.631 0 40 CHAB CC1(C)CC2(CN(C(=O)c3cccc(Cl)c3)C2)C1 1775971367 JASFJCDMZFKVFD-UHFFFAOYSA-N 263.768 3.602 0 40 CHAB COc1cccc2c1OC(C)(C)N1N=C(c3ccco3)C[C@@H]21 221398 LSPGFGJKXRNQBE-ZDUSSCGKSA-N 298.342 3.568 0 40 CHAB CCC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1Cl 32795114 QRWGDBMOANRAKC-QWRGUYRKSA-N 268.788 3.889 0 40 CHAB Cc1nc2ccccc2nc1Sc1nc(C)c(C)o1 32771221 LVXNPHMQXARSLS-UHFFFAOYSA-N 271.345 3.694 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1C[C@H]2C=C[C@H]1C2 102226368 ZIVWOLKXHXVHDY-DDHJSBNISA-N 285.412 3.552 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccccc1C(F)(F)F 484875 AAPLJBWMAYRABJ-BQYQJAHWSA-N 281.233 3.950 0 40 CHAB CCOC(=O)c1c(NC(=O)CC(C)C)sc(C)c1C 546526 JLQUQXBXDGCFKR-UHFFFAOYSA-N 283.393 3.526 0 40 CHAB CCn1c2ccc(N)cc2c2c(N)c(-n3cccc3)ccc21 1579284 VCQCUIDPRHBVQL-UHFFFAOYSA-N 290.370 3.770 0 40 CHAB CCN(CC)c1ccc(C[C@@H]2Cc3ccccc3[C@H]2O)cc1 1621072 LQZWCVZVPZHHTD-XLIONFOSSA-N 295.426 3.981 0 40 CHAB Cn1c(=O)c(Cc2ccccc2)c(Cl)c2ccccc21 2557548 JMQOQFQKISFUTL-UHFFFAOYSA-N 283.758 3.783 0 40 CHAB Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1 3892428 PGOMDNKDODAYAS-UHFFFAOYSA-N 266.296 3.680 0 40 CHAB Cc1csc(S[C@H](C)C(=O)Nc2ccc(F)cc2)n1 5101529 DGGPEHMXEFZMCG-SECBINFHSA-N 296.392 3.710 0 40 CHAB CCN(CC)C(=O)/C=C/c1ccc(Cl)cc1Cl 5470450 NKUKGTKRRRAUQC-SOFGYWHQSA-N 272.175 3.875 0 40 CHAB Cc1ccc([S@@](=O)Cc2ccc3ccccc3n2)cc1 5798893 VNEBCCWQEXCETG-HXUWFJFHSA-N 281.380 3.851 0 40 CHAB biogenic C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1C 6199855 AQCQZZGFOSBOFH-MISXGVKJSA-N 264.344 3.772 0 40 CHAB CCOc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 6616463 VLDZIFNRRYJOID-SFHVURJKSA-N 295.382 3.893 0 40 CHAB CCN(CC)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 12591108 LAVZOOOPKDQHST-CQSZACIVSA-N 272.392 3.828 0 40 CHAB COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cn1 12607626 OUSVUJALJDXXKF-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB CCc1[nH]c(=S)nc(N)c1-c1ccc(Cl)cc1 12913065 JBCCEXUMPNIZQJ-UHFFFAOYSA-N 265.769 3.604 0 40 CHAB Cc1cccnc1NC(=O)c1cc(F)c(F)cc1Cl 13326025 OXBHHKJLIQATBQ-UHFFFAOYSA-N 282.677 3.574 0 40 CHAB Cc1cc(NC(=O)C2CCCCC2)n(Cc2ccccc2)n1 13701337 JODUXTFOYCYSJW-UHFFFAOYSA-N 297.402 3.759 0 40 CHAB Cc1nc2ccc(NC(=O)C3CCCCC3)cc2nc1C 16265066 GEDNJKIZEXGOGZ-UHFFFAOYSA-N 283.375 3.765 0 40 CHAB CC(C)C[C@H](NCc1ccc(Cl)c(Cl)c1)C(=O)O 19787814 PETUABRAIJESBS-LBPRGKRZSA-N 290.190 3.582 0 40 CHAB Cc1ccccc1NC(=O)Nc1nc2ccccc2n1C 27924114 LQFQXKHVRKXPJK-UHFFFAOYSA-N 280.331 3.526 0 40 CHAB CCc1ccc(NC(=O)NCc2ccc(F)cc2)cc1 30987382 YPEJYLRFRZKTTM-UHFFFAOYSA-N 272.323 3.710 0 40 CHAB NCC1(c2cccc(Br)c2)CCCCC1 36962348 XXOVMSPGXGEKDA-UHFFFAOYSA-N 268.198 3.610 0 40 CHAB in-vitro O=C(NCCC1CCCC1)c1cccc2ncccc12 40060405 DDFKJHAGXINFBP-UHFFFAOYSA-N 268.360 3.545 0 40 CHAB CCCCn1c2ccccc2n2c(=O)cc(C(C)(C)C)nc12 40484617 VHJMHYCIKUAGMI-UHFFFAOYSA-N 297.402 3.747 0 40 CHAB O=C(NCCSC1CCCC1)c1cc2ccccc2o1 46450584 CIKCRYIXPMVBJZ-UHFFFAOYSA-N 289.400 3.838 0 40 CHAB CCOCCCCNC(=O)Nc1cccc2ccccc12 47325194 JVXFZXVCELAVOR-UHFFFAOYSA-N 286.375 3.778 0 40 CHAB CCC[C@H](NCc1cnc(SC)nc1)c1ccccc1 62717242 CWMSLHSKHGNKAM-HNNXBMFYSA-N 287.432 3.830 0 40 CHAB C[C@H](C1CC1)N(C)CCc1ncc(-c2ccccc2)o1 69971771 QOZKNAMJAGSEBO-CYBMUJFWSA-N 270.376 3.614 0 40 CHAB O=C(O)[C@H]1C[C@@H]1c1ccc(-c2ccccc2Cl)o1 70452959 YTYROQWWJRSTIX-UWVGGRQHSA-N 262.692 3.788 0 40 CHAB COC(=O)C1CCC(c2nc3ccccc3s2)CC1 72207231 CVYZDUHRDURFJU-UHFFFAOYSA-N 275.373 3.743 0 40 CHAB CSc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72216949 QDSSKEFKDWPJOB-OAHLLOKOSA-N 298.411 3.781 0 40 CHAB CCC(=O)c1cnc(NCc2ccccc2)cc1C 72223366 PCZUKJHFGRSEQJ-UHFFFAOYSA-N 254.333 3.595 0 40 CHAB CCSCC[C@H](C)N(C)Cc1cccc(N(C)C)c1 72305336 RGOAQAJNGJEHEO-AWEZNQCLSA-N 280.481 3.716 0 40 CHAB CC[C@@](C)(NCc1ncc(C(C)C)o1)c1nccs1 72683674 PSSRPMWNDJDSSG-CQSZACIVSA-N 279.409 3.670 0 40 CHAB CCC(CC)c1cc(CNc2cncc(Cl)n2)on1 78400416 WGDUOUJINPKYCK-UHFFFAOYSA-N 280.759 3.634 0 40 CHAB Cc1ccc(CNc2ccn(Cc3ccccn3)n2)c(C)c1 79108777 GSPFHLAWHFGISL-UHFFFAOYSA-N 292.386 3.555 0 40 CHAB CC(C)c1ccccc1NC(=O)Cc1ccc(O)cc1 82265588 VDLXMNDOOQBWGD-UHFFFAOYSA-N 269.344 3.697 0 40 CHAB Cc1cc(O)cc2c1[C@@H]1CC[C@]3(C)[C@@H](O)CC[C@@H]3[C@@H]1CC2 85626597 YFECXKBRYLRUTI-RXYDEIHYSA-N 286.415 3.918 0 40 CHAB COC(=O)c1ccc(-c2cc(C(F)(F)F)cc(C)n2)cc1 91695633 FAGZHZADCUWWQY-UHFFFAOYSA-N 295.260 3.862 0 40 CHAB COc1ccc(NC(=O)C2[C@H]3CC/C=C/CC[C@@H]23)cc1 101815962 IMMWUAGAFWRTBP-BISSQIIJSA-N 271.360 3.626 0 40 CHAB CC1=CCC[C@H](C)[C@@H]1CNc1ccc2oc(=O)[nH]c2c1 191950997 CARNDBIGMPSEKG-WCQYABFASA-N 272.348 3.525 0 40 CHAB CCCCO[C@H](Cc1cccc2ccccc12)C(=O)O 225049973 CCSPIMPDAMBGLU-MRXNPFEDSA-N 272.344 3.652 0 40 CHAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC)cc1)C1CC1 225670564 IFLPWNOTCXTJHP-QGZVFWFLSA-N 291.391 3.619 0 40 CHAB S=c1[nH]nc2c3c(-c4ccccc4)csc3ncn12 87235 OSTRIYYXFAMLDV-UHFFFAOYSA-N 284.369 3.669 0 40 CHAB O=C(Nc1c(Cl)cccc1Cl)c1ccco1 398312 KEKDHBTVZMHGIG-UHFFFAOYSA-N 256.088 3.839 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(Cl)cn2)c(Cl)c1 556100 NMFLJDGOPFFBHC-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB Cc1cc2oc(C)[n+](Cc3ccccc3)c2cc1C 1655663 UEAFIGLMISBPDB-UHFFFAOYSA-N 252.337 3.694 0 40 CHAB Fc1ccccc1/C=C/c1cnnc2ccccc12 1693165 YJVHQZFTKLOCMF-MDZDMXLPSA-N 250.276 3.939 0 40 CHAB O=C(NCc1ccccc1Cl)c1cccc(Cl)c1 2648642 UPVLDOJLRNNFAZ-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1O 3075990 USIYYZMZEKYSRA-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB COc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 3548130 GKABRQZIDAYKBL-UHFFFAOYSA-N 287.384 3.888 0 40 CHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(F)cc1F 3561561 UCJPJHUEBGPQFC-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB O=C1Nc2ccccc2C1(c1ccccc1)c1ccccc1 3901067 KLAWNELUVVBFGB-UHFFFAOYSA-N 285.346 3.973 0 40 CHAB O=CN[C@H](c1ccc(Cl)cc1)c1ccccc1Cl 4677279 MOIYQLWZXARSCF-CQSZACIVSA-N 280.154 3.829 0 40 CHAB CC[C@]1(C)OC(=O)N2CCc3c([nH]c4ccc(C)cc34)[C@@]21C 4786466 YJPWBRBWODCYEW-ZWKOTPCHSA-N 298.386 3.869 0 40 CHAB Cc1cccc(NC(=O)c2cccc(N(C)C)c2)c1C 6124973 WZHSPPKOATVBNF-UHFFFAOYSA-N 268.360 3.622 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 6315777 KKRSTEBHCLAACE-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB CCOC(=O)CSCc1ccc(Cl)cc1Cl 6783840 OKAXSBNIUSODCG-UHFFFAOYSA-N 279.188 3.790 0 40 CHAB CC(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 7110589 MEIPXXXEJBNTKF-UHFFFAOYSA-N 293.322 3.581 0 40 CHAB C[C@H]1Cc2ccccc2N1Cc1nc2ccccc2o1 8119047 KFJUAKRMSBLONH-LBPRGKRZSA-N 264.328 3.779 0 40 CHAB Cc1ccc(C)c(Cn2c(C(C)(C)O)nc3ccccc32)c1 8785937 GLIXBIIAEIUACY-UHFFFAOYSA-N 294.398 3.929 0 40 CHAB Cc1ccc(NC(=O)N2CCc3sccc3C2)cc1 10463969 JQYHNPJNWBLQNX-UHFFFAOYSA-N 272.373 3.647 0 40 CHAB Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167574 RFZPYFALZBSVRH-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CCCCS(=O)(=O)N[C@H](CC)c1ccc(Cl)cc1 13330049 QWQJYTNMZLXWBY-CYBMUJFWSA-N 289.828 3.511 0 40 CHAB Cc1ccsc1-c1nc2cnccn2c1NC(C)(C)C 13564797 ZJBVVNUMPDXHNI-UHFFFAOYSA-N 286.404 3.977 0 40 CHAB COc1ccccc1CNC[C@@H](C)c1ccccc1 13718443 DPGWXSRIXDROHQ-CQSZACIVSA-N 255.361 3.589 0 40 CHAB Cc1ccc(F)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1 16148113 MXXPFMHTBCRQEP-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Cc1noc(C)c1COc1ccccc1Br 20253916 SLKHJLKNQYEVNR-UHFFFAOYSA-N 282.137 3.633 0 40 CHAB O=C(O)CCc1ccc(-c2ccccc2Br)o1 20267806 RIIOKEGADFKSIM-UHFFFAOYSA-N 295.132 3.726 0 40 CHAB in-vitro CCCCCCOc1c(Cl)cc(CO)cc1OC 20303917 BJFSMJTWNVVFAK-UHFFFAOYSA-N 272.772 3.800 0 40 CHAB C[C@H](NC(=O)NC1CC1)c1ccc(Cl)c(Cl)c1 26518601 MOIFAYCXJVQYJZ-ZETCQYMHSA-N 273.163 3.516 0 40 CHAB C[C@@H](NC(=O)c1ccoc1)c1cccc(Br)c1 32796162 MEZMHJFBGGCTIW-SECBINFHSA-N 294.148 3.533 0 40 CHAB O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCCC1 33643383 UGNUSIUSZCEOTN-OBGWFSINSA-N 277.367 3.850 0 40 CHAB Cc1cccc(C(=O)c2c(F)cc(F)cc2F)c1 37358972 RRXQOVRBNWLSNF-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CC(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 39343286 RQZMCLQRFIDKLK-UHFFFAOYSA-N 264.328 3.714 0 40 CHAB Cc1cnc(SCCCC(=O)c2ccccc2)nc1 40122674 DOHRQMWIYJJUMN-UHFFFAOYSA-N 272.373 3.540 0 40 CHAB O=C(O)c1cccnc1NCc1c(Cl)cccc1Cl 41107505 ZSCLCHYGUNATCU-UHFFFAOYSA-N 297.141 3.699 0 40 CHAB CC(C)(C)c1cc(Cl)ccc1OC[C@@H]1CCNC1 42771049 ICFMHIGFWSGWEA-LLVKDONJSA-N 267.800 3.626 0 40 CHAB CCc1n[nH]c(S[C@H](C)c2ccc(OC(F)F)cc2)n1 48988932 QFMJDCKFISTUHJ-MRVPVSSYSA-N 299.346 3.822 0 40 CHAB CCN(CC)C(=O)c1ccc(-c2nc3ccccc3o2)cc1 59842902 ITACWRFUNNNJRB-UHFFFAOYSA-N 294.354 3.977 0 40 CHAB O=C(CCc1ccccc1F)N1CCCc2ccccc21 60514587 SDPGMZMXJZHYPI-UHFFFAOYSA-N 283.346 3.738 0 40 CHAB O=C(Nc1cccnc1)c1cc(-c2cccc(Cl)c2)no1 66089163 CNVMRAMQHKDESQ-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB Cc1ccncc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72211423 ZDHGTQWKYHVDHC-AWEZNQCLSA-N 276.380 3.852 0 40 CHAB Cc1cc([C@H]2CCCCN2CC(C)C)cnc1S 72218283 CMWQRSIEFRGMAU-CQSZACIVSA-N 264.438 3.862 0 40 CHAB c1ccc(-c2ccnc(Nc3nc4ccccc4[nH]3)n2)cc1 72467814 MBZNVOYFHRBGSX-UHFFFAOYSA-N 287.326 3.764 0 40 CHAB Cc1cc(NC[C@H]2CCO[C@H](C)C2)c2ccccc2n1 95458013 ZFRBPGDWGDAJRV-KGLIPLIRSA-N 270.376 3.770 0 40 CHAB CC(C)=CCC[C@@H](C)NC[C@@H]1CC(=O)Nc2ccccc21 95968955 NYDHJPKWLPNRSI-CABCVRRESA-N 286.419 3.837 0 40 CHAB Cc1nc(CN2CC(C)(C)Oc3ccccc32)cs1 95970874 OBYXFUAJSONWTP-UHFFFAOYSA-N 274.389 3.629 0 40 CHAB Cc1nccn1Cc1cccc(NC(=O)OC(C)(C)C)c1 95990947 AHSNANZIEAQXRB-UHFFFAOYSA-N 287.363 3.587 0 40 CHAB Cc1nccc(NC(=O)c2ccc(F)cc2F)c1Cl 96003456 JXAIOMCXKNYSEH-UHFFFAOYSA-N 282.677 3.574 0 40 CHAB Cc1ccc(N2Cc3nc4ccccc4cc3C2=O)cc1 96319267 DBFBMLGTLYTFAE-UHFFFAOYSA-N 274.323 3.704 0 40 CHAB CCC(CC)c1nnc(NCc2cscn2)s1 97045315 MSKGBLOIVZMQOQ-UHFFFAOYSA-N 268.411 3.510 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1C[C@H](O)[C@@H]3C[C@H](O)CC[C@]3(C)[C@H]1CC2 118931496 CJPFOFKWQJELAW-SQRJSLLPSA-N 292.463 3.751 0 40 CHAB Cc1ccc(C(=O)n2cc(CO)c3ccccc32)c(Cl)c1 216955403 CLWXPIKXBIRMIV-UHFFFAOYSA-N 299.757 3.784 0 40 CHAB COc1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1C 225650209 SPAYGVOZBXXQQC-UHFFFAOYSA-N 283.371 3.584 0 40 CHAB CN(C(=O)c1ccc(-c2ccc(N)cc2)o1)c1ccccc1 226303906 FYBPVZYXLDPTOR-UHFFFAOYSA-N 292.338 3.805 0 40 CHAB CC[C@H](C)n1ccc(NCc2cnn(C(C)C)c2C)n1 256053428 RLKLQINVTQRIJE-LBPRGKRZSA-N 275.400 3.552 0 40 CHAB Cc1ccc(C(=O)N=c2[nH][nH]c3c(Cl)cccc23)c(C)c1 533267005 IWIKUSJGZXNXJX-UHFFFAOYSA-N 299.761 3.507 0 40 CHAB CCc1cc(NC(=O)NCC[C@H]2CC2(F)F)ccc1C 585114086 WGWFFFDFEQKICB-LBPRGKRZSA-N 282.334 3.724 0 40 CHAB C[C@H](O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 4666663 ONPLURLOVYQKEH-NSHDSACASA-N 289.762 3.575 0 40 CHAB COc1cccc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 102198163 PJTPDGXXNRKORF-LBTBCDHLSA-N 297.398 3.571 0 40 CHAB Cc1cc(Nc2cccc(C(F)(F)F)c2)ncn1 8614928 ZEEHRTXTZAYKAK-UHFFFAOYSA-N 253.227 3.547 0 40 CHAB CC(=O)Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 23990076 CULKJGRUEGLQOC-UHFFFAOYSA-N 295.317 3.637 0 40 CHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccccc1 3131347 ZBCLYMFHPMQQSS-LBPRGKRZSA-N 269.319 3.807 0 40 CHAB COc1ccc(Nc2ccc(NC(=O)C3CC3)cc2)cc1 12557634 OQGZLJLSDBWDPP-UHFFFAOYSA-N 282.343 3.787 0 40 CHAB Cc1ccccc1-c1cc(O)n(-c2ccccc2C)n1 9937118 YWOAPDXWRINGET-UHFFFAOYSA-N 264.328 3.862 0 40 CHAB COc1cccc2cc([C@H](C)NC(=O)C[C@@H]3C=CCC3)oc12 25190475 VYMOUJPIFNOMRL-QWHCGFSZSA-N 299.370 3.975 0 40 CHAB CCCNc1ncnc2sc3c(c12)CC[C@H](C)C3 1776835 PKLQOTSIBDNDHW-VIFPVBQESA-N 261.394 3.638 0 40 CHAB Cc1nc(CCNc2nc3ccccc3s2)cs1 12738050 HHVOKGGRAVICNK-UHFFFAOYSA-N 275.402 3.716 0 40 CHAB Cc1ccc(CC(=O)N(C)Cc2ccccc2)cc1C 10009767 HRGHUAIYJIKRFP-UHFFFAOYSA-N 267.372 3.505 0 40 CHAB CC(=O)Nc1ccc(S[C@H]2CCCCCC2=O)cc1 29385222 DPUMEBGQGYFSGL-HNNXBMFYSA-N 277.389 3.639 0 40 CHAB CC(C)(C)c1cc(C(=O)O)nn1-c1ccc(Cl)cc1 11802093 PQTKYQRFMFGKOI-UHFFFAOYSA-N 278.739 3.521 0 40 CHAB Cc1nc(CNc2ccc(Cl)c(F)c2)cs1 37070213 BKYPTRPBDAHKDF-UHFFFAOYSA-N 256.733 3.856 0 40 CHAB CC[C@H](C)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 12984719 KCNPSZJONWPSRG-ZDUSSCGKSA-N 284.403 3.920 0 40 CHAB COc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 3607575 QAICNTBTKHGWJN-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB O=c1[nH]c(-c2ccccc2)nc2sc3c(c12)CCCC3 18136585 CDFWRIZOSNAGCV-UHFFFAOYSA-N 282.368 3.530 0 40 CHAB CC(C)Oc1nc(-c2ccccc2O)nc2ccccc12 13129907 LJHVDKUWDATTSQ-UHFFFAOYSA-N 280.327 3.790 0 40 CHAB Cc1ccc(-c2nnc(S)n2-c2ccc(C)cc2)cc1 3888147 AVVMJXGNNPVVDD-UHFFFAOYSA-N 281.384 3.840 0 40 CHAB in-vitro CCN(c1ccc(C(=O)Nc2ccncc2)cc1)C(C)C 63854597 LOFRPXRHKWUKNF-UHFFFAOYSA-N 283.375 3.569 0 40 CHAB CC(C)c1ccc(-c2nnc(NC(=O)C3CC3)s2)cc1 8777895 AWQODIVODGCVAX-UHFFFAOYSA-N 287.388 3.677 0 40 CHAB Cc1cc(C(=O)O)ccc1NC(=O)CCC1CCCCC1 8906356 ITJPIUCHEALQHJ-UHFFFAOYSA-N 289.375 3.992 0 40 CHAB Cc1ccc(O)c(NC(=O)CCCc2ccccc2)c1 4666337 HNKJQNYHGLCQMD-UHFFFAOYSA-N 269.344 3.662 0 40 CHAB CCn1c(/C=C/c2ccccc2C)nc2ccccc2c1=O 4859798 ZWVKJFXMRQASEF-OUKQBFOZSA-N 290.366 3.895 0 40 CHAB CCOc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1O 5817630 XQGRNUZZOUXFAJ-UHFFFAOYSA-N 268.316 3.643 0 40 CHAB Cc1ccc(N)cc1NC(=O)c1ccc(OC(C)C)cc1 19736120 FHVUWDBEHXDAQJ-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB Cc1cc(F)ccc1NS(=O)(=O)c1ccccc1Cl 7381983 IYOMFNPXJKHFDK-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB CC(=O)c1cnn(-c2ccc(C(C)(C)C)cc2)c1C 71577651 GXTPETNGNJWNPG-UHFFFAOYSA-N 256.349 3.681 0 40 CHAB CCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789470 QVSNTVNZPOWMPA-UHFFFAOYSA-N 284.388 3.873 0 40 CHAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CC1 35233327 ZUYVGUOPHNDBFX-UHFFFAOYSA-N 277.327 3.578 0 40 CHAB Cc1nn(C)c(C)c1[C@H](C)NCc1ccc(Cl)c(F)c1 78553165 ASTLZTSCRGOWDR-VIFPVBQESA-N 295.789 3.680 0 40 CHAB CNCCCNc1ccnc2c(Cl)c(Cl)ccc12 222680426 YLSPIKOQQCONJQ-UHFFFAOYSA-N 284.190 3.563 0 40 CHAB Cc1cc(N2CCCC[C@H]2C)ncc1Br 42783492 NNGIOLBJJIXEEJ-SNVBAGLBSA-N 269.186 3.531 0 40 CHAB Cc1ccc(CNC(=S)Nc2c(F)cccc2F)cc1 225311164 RQMAYLMXEKQLMZ-UHFFFAOYSA-N 292.354 3.760 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 40160052 AGBTYCCEIOGREX-HOTUBEGUSA-N 271.282 3.539 0 40 CHAB C[C@H](CNC(=O)CCc1ccccc1F)c1ccccc1 46633529 VJORMGTXRKZORO-CQSZACIVSA-N 285.362 3.678 0 40 CHAB Cc1nc2ccc(NCc3nc4ccccc4n3C)cc2o1 89729888 SLDSNRFXWHGGOY-UHFFFAOYSA-N 292.342 3.635 0 40 CHAB c1csc(SCc2nc(-c3ccoc3)no2)c1 96409122 HXVHATCHLFNHFS-UHFFFAOYSA-N 264.331 3.683 0 40 CHAB CCCC(=O)Nc1cccc(NC[C@@H]2CCC=CO2)c1 252508388 XMMFKABPDLGMQR-HNNXBMFYSA-N 274.364 3.530 0 40 CHAB Cc1nc(C(C)C)sc1[C@@H](C)NCCCn1ccnc1 89558961 NPYIAJHMBHGOJE-GFCCVEGCSA-N 292.452 3.512 0 40 CHAB O=C(Nc1ccccc1)NC1(c2ccccc2)CCC1 40018137 ISMMGFOWALZLOP-UHFFFAOYSA-N 266.344 3.888 0 40 CHAB COc1ccc([C@@H](C)NCc2sc(C)nc2C)c(F)c1 95968556 UOUUWZFFKDKRBH-SECBINFHSA-N 294.395 3.758 0 40 CHAB COc1cccc(NC(=O)[C@@H](C)Sc2ccccc2)c1 5873153 BHCXIARNRPYNDN-GFCCVEGCSA-N 287.384 3.815 0 40 CHAB C[C@@H](NC(=S)Nc1cccnc1Cl)c1ccccc1 13838495 SJXQGJDVVVRWSQ-SNVBAGLBSA-N 291.807 3.783 0 40 CHAB CC[C@H](CNC(=O)c1cc(F)ccc1F)c1ccccc1 15576491 STUZDXACGAZRLW-GFCCVEGCSA-N 289.325 3.888 0 40 CHAB CCCNCc1cc(Cl)c(OCCC)c(OC)c1 20931475 GBGSXNMPBDDPGL-UHFFFAOYSA-N 271.788 3.637 0 40 CHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCC2CCCC2)CC1 100809287 WTUFEALJAPPSMK-GASCZTMLSA-N 296.455 3.602 0 40 CHAB COC(=O)c1cccn1-c1ccc(Cl)c(Cl)c1 223728460 QBJLGHTUENQWJQ-UHFFFAOYSA-N 270.115 3.571 0 40 CHAB C[C@@H](c1ccc(F)cc1)N(C)Cc1nnsc1Cl 40013632 HNZYOHFNXPDBOK-QMMMGPOBSA-N 285.775 3.524 0 40 CHAB COC(=O)c1ccccc1NC(=O)Nc1ccc(C)c(C)c1 51354148 LKADFOCSRSHJBO-UHFFFAOYSA-N 298.342 3.734 0 40 CHAB O=C(Nc1ccc2ccccc2c1)c1onc2c1CCCC2 385050 WUZIJPGCMZHMKD-UHFFFAOYSA-N 292.338 3.959 0 40 CHAB C[C@@H](CC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 474 FDRDUFLWFSLNFT-LBPRGKRZSA-N 268.312 3.647 0 40 CHAB in-man O=C(NCCc1c[nH]c2ccccc12)OCc1ccccc1 15797 UMSQKAUFKBIDAW-UHFFFAOYSA-N 294.354 3.637 0 40 CHAB Cc1c(C)n(C)c2c1ccc1c(C(F)(F)F)cc(=O)[nH]c12 33727 IZGDCUNIADESBU-UHFFFAOYSA-N 294.276 3.655 0 40 CHAB C[C@H]1Cc2cc(C(=O)c3ccccc3Cl)ccc2O1 243935 KTCIOYSMRWVCAA-JTQLQIEISA-N 272.731 3.894 0 40 CHAB Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 357407 FZGXANMBWRQSNK-HUUCEWRRSA-N 251.329 3.737 0 40 CHAB COc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 365021 RXJRXLKKSUZOEL-QGZVFWFLSA-N 281.355 3.503 0 40 CHAB Cc1cc2ccccc2nc1SCC(=O)NC(C)(C)C 932881 UWCXUIPJKYBIAF-UHFFFAOYSA-N 288.416 3.550 0 40 CHAB Nc1cc2c(cc1Cl)-c1cc(Cl)ccc1C2=O 1596417 XALFSRIGEAZMIK-UHFFFAOYSA-N 264.111 3.787 0 40 CHAB CC(=O)CC(=O)O[C@H](CC(C)C)C[C@H](C)CC(C)C 1665820 KVEZJNRZRRMMIV-UKRRQHHQSA-N 270.413 3.996 0 40 CHAB CCC[C@@H](CCC(=O)Nc1ccccc1Cl)C(=O)O 2375135 YWVNKUQFMDBZNW-JTQLQIEISA-N 283.755 3.560 0 40 CHAB O=C(c1ccccc1)c1cccc(CN2CCCC2)c1 2515045 HOCNEXBKLDWEAJ-UHFFFAOYSA-N 265.356 3.513 0 40 CHAB O=C(c1ccc2ncsc2c1)N1CCCc2ccccc21 2628284 UWHPQNARUBOQES-UHFFFAOYSA-N 294.379 3.889 0 40 CHAB O=C(/C=C/c1cccc(F)c1)Nc1ccc(F)cc1 3353804 QWHLUBIRTYHFKY-RUDMXATFSA-N 259.255 3.617 0 40 CHAB CCN(CC)C(=O)c1c(N)sc(-c2ccccc2)c1C 3394127 DLMPGWXGEVKTSM-UHFFFAOYSA-N 288.416 3.788 0 40 CHAB COc1cccc(OC)c1OC(=O)c1cc(C)ccc1C 3451041 ZCYIDPODPCNCHT-UHFFFAOYSA-N 286.327 3.540 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1ccc(OC)cc1 4666303 OAGPSBYQMCQNOF-CYBMUJFWSA-N 263.381 3.641 0 40 CHAB Cc1cc(-c2ccccc2)c2ccc3nnc(S)n3c2n1 4973850 PIAVNWJBPFEZLS-UHFFFAOYSA-N 292.367 3.542 0 40 CHAB Cc1cs/c(=N/[C@@]2(C)[C@H]3CC[C@H](C3)C2(C)C)o1 5753135 HGVTVYHFXJHDNH-UEBKZFMVSA-N 251.395 3.765 0 40 CHAB O=c1c2ccsc2[nH]c(=S)n1C1CCCCC1 6538348 XZBSKLFOGUPGDY-UHFFFAOYSA-N 266.391 3.626 0 40 CHAB CCCc1nnc2sc(-c3cccc4ccccc34)nn12 6757253 ACYGGUXBWSEFBK-UHFFFAOYSA-N 294.383 3.959 0 40 CHAB Cc1ccc([C@@H](CN)c2c[nH]c3ccccc23)cc1 9280355 XOLSJOJSKGCNDN-OAHLLOKOSA-N 250.345 3.567 0 40 CHAB Cc1ccccc1-n1nc(C)c(CCC(C)C)c1O 10157383 SFEOPHDRWOAQSL-UHFFFAOYSA-N 258.365 3.783 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1F 13004860 YXDYIBJIFQPPHV-LLVKDONJSA-N 291.297 3.679 0 40 CHAB O=C(NCc1cccc(Cl)c1)Nc1ccc(F)cc1 13325336 VUIYRDYQSCOBSM-UHFFFAOYSA-N 278.714 3.801 0 40 CHAB Cc1ccc(N2C(=O)[C@H]3CC[C@H](C)C[C@@H]3C2=O)cc1Cl 13845456 DOGDBBHAXPJGES-XDTLVQLUSA-N 291.778 3.574 0 40 CHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 14401451 REBMAKGZQQVADE-CYBMUJFWSA-N 291.366 3.600 0 40 CHAB S=C(Nc1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 16489806 MTDLWFGWAQYQHS-UONOGXRCSA-N 274.433 3.896 0 40 CHAB c1ccc(CN2CCC(n3ccc4ccccc43)CC2)nc1 19045860 MGBMPPPTIOOZPR-UHFFFAOYSA-N 291.398 3.873 0 40 CHAB CCOCc1cc(C(=O)Nc2ccccc2C)ccc1OC 21633446 UGKYASXTGYFEIR-UHFFFAOYSA-N 299.370 3.792 0 40 CHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1cc(F)ccc1F 28245164 PJVKBOBQGXEBLX-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1 32211393 MWLUXIMHLPCFRZ-UHFFFAOYSA-N 260.255 3.908 0 40 CHAB C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ccccc1 34245303 ZWNCJNODOVPNTF-ZIAGYGMSSA-N 253.345 3.668 0 40 CHAB O=C(c1ccc(Cl)cc1)N(Cc1ccco1)C1CC1 40060342 WAAXMEWDQPIHHN-UHFFFAOYSA-N 275.735 3.738 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1ccncc1 40525603 AKLTXFUWNFVOCM-NSHDSACASA-N 289.766 3.926 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1 43466321 NTDUILAAIOKRGW-UHFFFAOYSA-N 280.799 3.814 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)n[nH]2)cc1 44837582 GFZSGMNJIPOTJK-UHFFFAOYSA-N 291.354 3.946 0 40 CHAB Cc1cccnc1C(=O)c1ccc(Cl)cc1Cl 45028695 RXOIGIPBLOQRNU-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(COC(C)C)cc2)cc1 48342597 FMIXJRSZEYBDKJ-UHFFFAOYSA-N 297.398 3.850 0 40 CHAB Cc1ccc(NC(=O)c2ccc3oc(C)nc3c2)cc1 49677080 QANJHOZZTIULHY-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB Cc1cc(F)ccc1[C@H](O)c1ccc(Br)cc1 55200932 QZELMCQDYZCOSF-CQSZACIVSA-N 295.151 3.978 0 40 CHAB CC1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 71902997 GQZSLZOQKGZFAA-UHFFFAOYSA-N 296.370 3.746 0 40 CHAB Nc1ccccc1-n1cnc2cc(C(F)(F)F)ccc21 75935664 MMXLKBAZPFUYOR-UHFFFAOYSA-N 277.249 3.627 0 40 CHAB O=C(NC1CCCCCCC1)c1[nH]nc(C2CC2)c1Cl 79074461 PDLOLACNMNSTOE-UHFFFAOYSA-N 295.814 3.783 0 40 CHAB O=C(NC1CCCC1)N(CC1CCCCC1)C1CC1 84543947 CVNXIKNJTREIFQ-UHFFFAOYSA-N 264.413 3.683 0 40 CHAB Cc1ncsc1C(=O)N1C[C@@H](C)Sc2ccccc21 88221192 RFYRRNNQRARLPG-SECBINFHSA-N 290.413 3.593 0 40 CHAB COCCCSc1ccc(NCc2cscn2)cc1 95429114 VSPAAPUCIFGLGN-UHFFFAOYSA-N 294.445 3.884 0 40 CHAB C[C@H](CCO)C1(CNCc2ccc(Cl)s2)CCC1 95988549 FTYDHZJCXRSCCN-LLVKDONJSA-N 287.856 3.680 0 40 CHAB CN(C)c1cccc(C(=O)CCc2ccccc2)c1 135169957 ZDUVULXLPCADCH-UHFFFAOYSA-N 253.345 3.568 0 40 CHAB C[C@]12CC[C@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 142552194 WMEBIWWUBWHAOJ-MFXFBURESA-N 291.479 3.717 0 40 CHAB C[C@@](O)(Cc1nc(C2CCCCC2)no1)c1ccccc1 184362349 UMJZTZDEGWSKGR-QGZVFWFLSA-N 286.375 3.568 0 40 CHAB CC(C)N(C[Si](C)(C)C)C(=S)Nc1ccccc1 195795013 GQMLLFYAVKRHPY-UHFFFAOYSA-N 280.513 3.971 0 40 CHAB CC(C)=CC(=O)N1CCS[C@H](c2ccccc2C)CC1 219288240 CEBGRZQGTRHTBT-INIZCTEOSA-N 289.444 3.968 0 40 CHAB COc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1C 222602082 UOFZTIJRYBFGIT-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1Cl 225836316 JLFHTKDITPMPCP-UHFFFAOYSA-N 293.794 3.969 0 40 CHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccsc2)C1=O 409009330 DHJVZBYTJLJUSA-VSBFRKNKSA-N 267.375 3.583 0 40 CHAB CO[C@H](CNC(=O)C1CC(C)(C)C1)c1ccc(Cl)cc1 513348312 RHTQMKPPXAYLFA-CQSZACIVSA-N 295.810 3.580 0 40 CHAB C[C@@H](C[C@@H]1OC[C@H](CN2CCCCC2)O1)CC(C)(C)C 171801 HFXRXQYPTWPANL-HRCADAONSA-N 283.456 3.676 0 40 CHAB CCN(CC)c1nc(C)nc2sc3c(c12)CCCC3 223235 PFNNAJOYGDNSSJ-UHFFFAOYSA-N 275.421 3.725 0 40 CHAB Cc1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 335666 UNYLYARPXFGHPX-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB CC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccco3)cc12 535568 FYSSQXHLZRZKGN-UHFFFAOYSA-N 297.310 3.502 0 40 CHAB O=C(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1680018 CKKQLOUBFINSIB-UHFFFAOYSA-N 288.346 3.805 0 40 CHAB CC(C)COCCOC(=O)c1ccc(C(C)(C)C)cc1 1689295 JPKCXNRWHINZHR-UHFFFAOYSA-N 278.392 3.814 0 40 CHAB COc1ccc2c(c1)[C@H]1CCCC[C@H]1SCC2=O 1706547 QFMVPESDGFXAFO-IUODEOHRSA-N 262.374 3.651 0 40 CHAB CN1C(=O)/C(=C\c2c(F)cccc2Cl)c2ccccc21 3326741 ZTYXVPTYKFGIEW-LUAWRHEFSA-N 287.721 3.996 0 40 CHAB O=C(Cc1ccccc1Cl)NCc1ccccc1Cl 3562262 PVGZZYXYEBJERM-UHFFFAOYSA-N 294.181 3.852 0 40 CHAB CCc1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 3581193 NUHUUCRAVBJPIV-UHFFFAOYSA-N 289.400 3.667 0 40 CHAB CC1(C)CN(c2ccccc2)N(Cc2ccc(F)cc2)C1=O 4106976 XYYVZOFJKXHUJL-UHFFFAOYSA-N 298.361 3.616 0 40 CHAB NC(=S)Nc1ccc2c(c1)Sc1ccccc1O2 5395211 JYLIAJMTWFFKSG-UHFFFAOYSA-N 274.370 3.599 0 40 CHAB C[C@H](NC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 5443955 SATHZYHPMVPTNQ-GVMDUPDNSA-N 273.376 3.614 0 40 CHAB C[C@H](NC(=O)c1ccc(F)cc1)[C@H]1CC2CCC1CC2 5515674 UBWAPIJEWRMFDH-PIISCBOPSA-N 275.367 3.770 0 40 CHAB CC(C)c1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1 6346435 RKOBDEWVOBODCS-UHFFFAOYSA-N 296.370 3.807 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)NCCCc2ccccc2)c1 6504388 QJPSVBLSCZWSOO-MRXNPFEDSA-N 297.398 3.511 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)c2c(F)cccc2F)[C@@H]1C 6932589 BGNURWWVENGVGO-CWSCBRNRSA-N 267.319 3.519 0 40 CHAB Cc1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)no1 9112266 LEVZLSHMFLZEIX-UHFFFAOYSA-N 284.315 3.527 0 40 CHAB CCCCCc1nc(Nc2ccc(C)cc2)[nH]c(=O)c1C 9483877 PGIKMQPLNOMVSD-UHFFFAOYSA-N 285.391 3.863 0 40 CHAB C[C@H]1CCCN(Cc2ccc(Br)cc2)C1 9996357 HLUVGDBTIZIQQH-NSHDSACASA-N 268.198 3.681 0 40 CHAB CCCCc1ccc(NC(=O)c2cccc(N)c2)cc1 11737157 IZTRSPSQUFCACH-UHFFFAOYSA-N 268.360 3.864 0 40 CHAB O=C1C[C@H](c2ccccc2Cl)c2sccc2N1 12375448 OHSIITABHQCGCB-SECBINFHSA-N 263.749 3.876 0 40 CHAB O=C1C[C@@H](c2cccc(F)c2F)c2sccc2N1 12428424 SMSYEHMKADQMOU-QMMMGPOBSA-N 265.284 3.500 0 40 CHAB CCCCNc1nnc(S[C@H]2CCCCCC2=O)s1 12883038 FZRDDEWFWXMJOD-NSHDSACASA-N 299.465 3.744 0 40 CHAB Cc1cc2cc(CNC(=O)/C=C\c3ccccc3)ccc2[nH]1 15357147 IUSDXEYQFMJRLG-NTMALXAHSA-N 290.366 3.806 0 40 CHAB O=C(Nc1ncc(Cl)cc1Cl)c1cccs1 16430555 JBPHYEOMPDHUKV-UHFFFAOYSA-N 273.144 3.702 0 40 CHAB O=C(CCC1CCCC1)Nc1cc(F)ccc1F 19075224 PXPNKQHJLINYHN-UHFFFAOYSA-N 253.292 3.874 0 40 CHAB COc1cccc(C(=O)N(C)Cc2ccc(Cl)cc2)c1 20104245 GDKGWFYYBRLDKL-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB CCN(C(=O)c1ccc(Cl)c(N)c1)c1ccccc1 20193793 DAORMAWXYGLNIS-UHFFFAOYSA-N 274.751 3.589 0 40 CHAB Cc1ccccc1NC(=O)c1noc2c1CCCCC2 20418861 QQFAOAUYOGLPLG-UHFFFAOYSA-N 270.332 3.504 0 40 CHAB Oc1cccc(CNc2ccc(F)cc2Br)c1 20430383 QFSZVTKBFGNUTE-UHFFFAOYSA-N 296.139 3.906 0 40 CHAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(C)n2)c1 21894398 FZURSLCRFBSPHR-UHFFFAOYSA-N 296.370 3.608 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C)c1 22519400 OBPWXHLWVSXOFZ-AWEZNQCLSA-N 283.371 3.963 0 40 CHAB Cc1cccc(NC(=O)CN(C2CC2)[C@@H](C)C2CC2)c1C 31653730 GSDWQSDWQGUNGT-AWEZNQCLSA-N 286.419 3.505 0 40 CHAB O=C(Nc1cccnc1)N1CCC[C@H]1c1ccc(F)cc1 32900943 YOGHOMOKFNNOKD-HNNXBMFYSA-N 285.322 3.590 0 40 CHAB CCc1cccc(CC)c1NC(=O)c1cn2ccccc2n1 32963803 HZTHGRMCFRPXPL-UHFFFAOYSA-N 293.370 3.711 0 40 CHAB COc1ccc2cc(CN(C)C(=O)C=C(C)C)ccc2c1 36866431 WAOWIOIAMDQFKZ-UHFFFAOYSA-N 283.371 3.773 0 40 CHAB C[C@H](NCC[C@@H]1CCCO1)c1ccccc1Cl 38095404 SDMYIDDJBLPLIS-RYUDHWBXSA-N 253.773 3.560 0 40 CHAB COc1ccc2c(-c3ccccc3)c(C(=O)O)oc2c1 38342275 WYPUYIYDYBZQBA-UHFFFAOYSA-N 268.268 3.807 0 40 CHAB CC(C)c1cc(Cl)ccc1O[C@@H]1CCCNC1 42775165 XWDRXRLDRNCMNO-GFCCVEGCSA-N 253.773 3.594 0 40 CHAB Cc1cc(C(C)(C)C)cc(C)c1C(=O)CCC(=O)O 43214205 GGDUQPNIHAQRRY-UHFFFAOYSA-N 262.349 3.648 0 40 CHAB Cc1cccc(C(=O)c2cc(Cl)ccc2Cl)n1 45028508 HXXYWJHIQYOSJA-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1ccc(C)c([C@H](C)NC(=O)NC2CCCCC2)c1 48487214 JNFNPYJRAGOEPN-AWEZNQCLSA-N 274.408 3.996 0 40 CHAB Cc1ccc(C)c(Nc2cc(-n3nc(C)cc3C)ncn2)c1 58158988 ZEFVMERTYBGNEB-UHFFFAOYSA-N 293.374 3.640 0 40 CHAB OC1=C(C2=NCCN2)CCC/C1=C\c1ccc(Cl)cc1 62716111 SPQHNARTVSMXHL-ZRDIBKRKSA-N 288.778 3.721 0 40 CHAB CC(C)[C@@H](C)NC(=O)COc1ccccc1C(C)(C)C 70272306 HGWYQTQIQWYCOA-CYBMUJFWSA-N 277.408 3.524 0 40 CHAB CC(C)N1CCCC[C@H]1c1cccnc1NC1CC1 72213739 AZXVVTDPPRIPGL-HNNXBMFYSA-N 259.397 3.591 0 40 CHAB COC(=O)c1ccc(SC2CCCCC2)nc1C 72224870 JOKNRLRZKVCLSH-UHFFFAOYSA-N 265.378 3.601 0 40 CHAB Cc1ccc(-c2cc(NC(=O)c3occc3C)[nH]n2)s1 72278469 VNNIINGGQHFXON-UHFFFAOYSA-N 287.344 3.600 0 40 CHAB CN1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72357515 UGDQORHOTIQOQM-QGZVFWFLSA-N 270.351 3.578 0 40 CHAB CC(C)c1ccc(CN(C(=O)[C@H]2C[C@@H]2C)C2CC2)cc1 72753728 WUPIRIUYUUQDCQ-GUYCJALGSA-N 271.404 3.957 0 40 CHAB FC(F)n1ccnc1CN1CCCc2cc(Cl)ccc21 73616144 OSBCFHPRUJJBPL-UHFFFAOYSA-N 297.736 3.884 0 40 CHAB Brc1ccc(-c2nc3ncccc3o2)cc1 73638977 XCVKDMYJJLCCJF-UHFFFAOYSA-N 275.105 3.652 0 40 CHAB C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C1CCCC1 75107418 BAKJQOJZUFJJLZ-BBRMVZONSA-N 257.377 3.581 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cccc(F)c1 83264761 JAUWMCYQJHYODV-CQSZACIVSA-N 294.370 3.637 0 40 CHAB CC1(C)CN(C(=O)c2cscn2)c2ccccc2S1 88241417 PGJUCSQIZPLSAU-UHFFFAOYSA-N 290.413 3.674 0 40 CHAB COc1ccc(C(=O)c2ccc(SC)cc2)cc1F 89064252 RDGWSFONAFSDKQ-UHFFFAOYSA-N 276.332 3.787 0 40 CHAB Cc1cc(C)c(C(=O)C(F)(F)C(F)(F)F)cc1C 95917405 WWYTZNNYRRCANZ-UHFFFAOYSA-N 266.209 3.992 0 40 CHAB CC(=O)Nc1ccc(NCc2cccs2)c(Cl)c1 95981696 PBJFPCCSHGGRRV-UHFFFAOYSA-N 280.780 3.972 0 40 CHAB O=C([C@@H]1C[C@@H]1C1CC1)N(Cc1ccccc1)c1ccncc1 96499814 JJNGPKYYWGEOIL-QZTJIDSGSA-N 292.382 3.661 0 40 CHAB Cc1ccc([C@H](CN[C@H]2CCCC2(C)C)N2CCCC2)o1 97016751 BZCOWCNZDBKBIR-RDJZCZTQSA-N 290.451 3.893 0 40 CHAB CC(C)(C)c1cc2c(=O)[nH]c([C@@H]3CCCS3)nc2s1 98019089 ZYELGQCRUDOJPF-VIFPVBQESA-N 294.445 3.850 0 40 CHAB CCOC(=O)Cc1csc(Nc2cc(C)ccc2C)n1 105651903 RLNPDLIOKDYWDB-UHFFFAOYSA-N 290.388 3.609 0 40 CHAB FC(F)(F)c1cccc(N2Cc3ccccc3C2)n1 106065728 AJYFVGWBSVDUBN-UHFFFAOYSA-N 264.250 3.621 0 40 CHAB Cc1cccc(-c2nnc(-c3cnc(C4CC4)nc3C)o2)c1 216603111 MMDVEFFNCNIJCG-UHFFFAOYSA-N 292.342 3.688 0 40 CHAB CCCNC(=O)c1cc(N)ccc1N[C@H](C)c1ccccc1 225458752 XNORFQXPLKESKS-CYBMUJFWSA-N 297.402 3.582 0 40 CHAB S=C(NCCCc1ccco1)Nc1cccc(Cl)c1 225804329 VOHCSDNUYWUGRB-UHFFFAOYSA-N 294.807 3.852 0 40 CHAB Cc1cc([C@@H](O)c2ccc(C(C)C)cc2)ccc1N 226292941 ROVMSNUHWYFNTM-KRWDZBQOSA-N 255.361 3.782 0 40 CHAB CCc1cc(N)cc(Br)c1N1CCCC[C@@H]1C 226315274 WCTPIGQYRUJZRP-JTQLQIEISA-N 297.240 3.973 0 40 CHAB CC[C@@H](C)Nc1nc(N[C@H](C)CC)nc(N[C@H](C)CC)n1 255189169 OEPDXZREYVLSAP-IJLUTSLNSA-N 294.447 3.503 0 40 CHAB Cc1cccc(CNc2cccc(Br)c2F)n1 689262968 RRYAEHGNFHJZGI-UHFFFAOYSA-N 295.155 3.904 0 40 CHAB COc1cc(C2([C@@H](N)CC(C)C)CCC2)ccc1C 1772714952 KJKLHGSCWOGTAR-INIZCTEOSA-N 261.409 3.799 0 40 CHAB C[C@@H](c1ccccc1)N1CCC[C@@H](COc2ccncc2)C1 1888860183 QTCZJRWRFVPTKF-DLBZAZTESA-N 296.414 3.934 0 40 CHAB c1ccc(CSc2ncnn2Cc2ccccc2)cc1 37988 XPKGKOVSNDTPQQ-UHFFFAOYSA-N 281.384 3.619 0 40 CHAB CCC(CC)C(=O)Nc1nnc(Cc2ccccc2)s1 2734927 UDENWQIMGQHVRV-UHFFFAOYSA-N 289.404 3.504 0 40 CHAB CCSc1nnc(-c2ccccc2SC)o1 1397952 RBSHUOWQMVXHMT-UHFFFAOYSA-N 252.364 3.571 0 40 CHAB COc1cc(C(C)(C)C)c2oc(C(=O)O)c(C)c2c1 37337200 NAQGWLRVNCPOKP-UHFFFAOYSA-N 262.305 3.746 0 40 CHAB in-vitro Cc1n[nH]c(C)c1CNCc1cccc(OC2CCCC2)c1 78737037 PELAWPZXQLHADH-UHFFFAOYSA-N 299.418 3.638 0 40 CHAB c1ccc(CC[C@@H]2OC[C@@H](c3ccccc3)O2)cc1 1689224 OUIPNMRDUUKZJF-DLBZAZTESA-N 254.329 3.733 0 40 CHAB Cc1ccc(F)cc1NC(=S)NC1CCCCC1 6503900 SYPYQLMUJCKXCS-UHFFFAOYSA-N 266.385 3.753 0 40 CHAB CC(C)CNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 6883634 XTQMODWFVCJFIG-ZDUSSCGKSA-N 273.376 3.746 0 40 CHAB C[C@]12CC[C@@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 12479358 WMEBIWWUBWHAOJ-CUZKMJQKSA-N 291.479 3.717 0 40 CHAB biogenic Cc1occc1C(=O)Nc1cccc(Cl)c1F 23325552 GVWVJLXBWUYSFA-UHFFFAOYSA-N 253.660 3.633 0 40 CHAB Fc1cccc(Cl)c1Cc1ccc(Cl)nn1 1397066 AGGJARUQBUNIGN-UHFFFAOYSA-N 257.095 3.513 0 40 CHAB Clc1ccc(CNc2ccc3cn[nH]c3c2)cc1 35040311 AXIXBQVTLFGRLL-UHFFFAOYSA-N 257.724 3.828 0 40 CHAB CCN(C(=O)c1cn2ccc(C)cc2n1)c1ccccc1C 44039683 CPBVNKHLFQPLJZ-UHFFFAOYSA-N 293.370 3.618 0 40 CHAB CC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235586 UJKGZCJFOTUVBM-UHFFFAOYSA-N 294.807 3.676 0 40 CHAB CCN(Cc1cccs1)C(=O)c1ccc(Cl)o1 58406241 HRGLSHZBOBKNNI-UHFFFAOYSA-N 269.753 3.657 0 40 CHAB O=C(O)CCCC(=O)c1ccc(-c2ccccc2)cc1 2378749 KKXBBXORYRVHQT-UHFFFAOYSA-N 268.312 3.791 0 40 CHAB O=C(Cc1ccc(F)cc1)N[C@@H](c1ccccc1)C1CC1 11204228 FQDKTJMNOBFZSU-SFHVURJKSA-N 283.346 3.636 0 40 CHAB Cc1cc(OCCCc2c(C)n[nH]c2C)ccc1Cl 2502342 AMOFSOTXTGAOLE-UHFFFAOYSA-N 278.783 4.000 0 40 CHAB CCCCN1CCn2cccc2[C@H]1c1ccccc1 60087756 DDFSQLAHAFBWFZ-QGZVFWFLSA-N 254.377 3.693 0 40 CHAB COc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 14182336 MIVACOMHLTTZTO-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H](C)C(C)C)n1 72281666 HQNWWKQKOXTPCT-OLZOCXBDSA-N 280.437 3.797 0 40 CHAB CC(C)n1ccc(-c2cccc(-c3cncnc3)c2)n1 23159106 ZJUQSKYGZUXHAQ-UHFFFAOYSA-N 264.332 3.588 0 40 CHAB Cc1cccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1C 7609926 HEIHIEJIPWSWND-YIONKMFJSA-N 285.387 3.637 0 40 CHAB Nc1nc2c(C(=O)c3ccccc3)cc(Cl)cc2s1 72230101 OKIUNYXZEGKWNX-UHFFFAOYSA-N 288.759 3.763 0 40 CHAB Cc1ccc(C)c2sc(NC[C@@H]3CCCO3)nc12 38575637 UAZBZVDVOWMBIF-NSHDSACASA-N 262.378 3.504 0 40 CHAB COc1ccc(Cl)cc1CNC(=O)/C=C/C(C)(C)C 74479406 ORQHGPYIHOLAEA-BQYQJAHWSA-N 281.783 3.567 0 40 CHAB COc1ccc2[nH]cc(C(=O)c3cccc(C)c3)c2c1 37364267 QDMFXNGRBRBXEP-UHFFFAOYSA-N 265.312 3.716 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)Cc1ccccc1F 21286088 LETHHCQZXLQHIY-ZDUSSCGKSA-N 271.335 3.554 0 40 CHAB O=C(O)[C@@H](CCCc1ccccc1)c1ccccc1 3846249 CGWQWPYMNKHMMO-INIZCTEOSA-N 254.329 3.878 0 40 CHAB biogenic O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccnc1 524732290 HCDHROPYJMYNEY-HNNXBMFYSA-N 297.383 3.563 0 40 CHAB CCCn1cnc2c(-c3ccc(C)cc3)csc2c1=O 35512131 IIUUZIADUZJYLS-UHFFFAOYSA-N 284.384 3.843 0 40 CHAB CSc1ccccc1C(=O)N[C@H](C)Cc1cccs1 38565799 XILIJVUSRMNZGN-LLVKDONJSA-N 291.441 3.831 0 40 CHAB COC(=O)c1ccc2nc(-c3ccccc3F)sc2c1 73740350 CTVWVMNFZMXIQX-UHFFFAOYSA-N 287.315 3.889 0 40 CHAB CCCN1CCC(c2cc3ccccc3c(O)n2)CC1 72360988 GFUKSXIRSGTGQJ-UHFFFAOYSA-N 270.376 3.530 0 40 CHAB CCC(=O)c1cnc(N2CCc3ccccc3C2)c(C)c1 72222843 MPNCJCPTXPFNEL-UHFFFAOYSA-N 280.371 3.545 0 40 CHAB Clc1cccc(-c2ncc(-c3cccnc3)[nH]2)c1 216628769 DIKMZXHXYZROAW-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB CCN1CCC[C@@H]1c1cccnc1NC1CCCCC1 72214009 VONDLGQMKYSNBC-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB Fc1cnc(Cl)nc1Oc1cccc(Cl)c1 85754775 JOSPDNWCYLGIBL-UHFFFAOYSA-N 259.067 3.715 0 40 CHAB CCOc1cccc(NC(=O)Cc2ccc(C)cc2C)c1 225726071 RDTGLFDNOMGBNU-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CCC[C@@H](C)NC(=O)Nc1cccc(OC(F)F)c1 47908646 KWHKSEUZTRHLJZ-SECBINFHSA-N 272.295 3.598 0 40 CHAB COc1ccc([C@H](C)NC(=O)c2cc(C)ccc2C)cc1 225523799 XGPSHZSCSHBADY-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB Cc1cc(F)ccc1NC(=O)NCCc1cccs1 40103548 HTMKPCSGNIFPBK-UHFFFAOYSA-N 278.352 3.560 0 40 CHAB CCS[C@@H]1CC[C@H](N(C)C(=O)c2sccc2OC)C1 96432362 YXXBLVTYILEIJL-WDEREUQCSA-N 299.461 3.503 0 40 CHAB Cc1cccc(-c2nc(-c3cccc(N)c3C)no2)c1 140284801 XDQBKQXMXVRNEN-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB Cc1ncc(CCCCN(C)C)c2c1[nH]c1ccccc12 96448080 JOALZRPQOJNAJB-UHFFFAOYSA-N 281.403 3.909 0 40 CHAB Cc1ccc(C)c(OCc2nc(C)cc(Cl)n2)c1 58043454 KQEZGKVUMBWNNV-UHFFFAOYSA-N 262.740 3.634 0 40 CHAB O=C(O[C@H]1CC=C(Br)CC1)c1ccccc1 208329615 UVCQFCMBHITYRC-LBPRGKRZSA-N 281.149 3.675 0 40 CHAB CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 5577670 OQEZIAPOGITMSS-UHFFFAOYSA-N 297.354 3.965 0 40 CHAB N=C1S[C@H](c2ccccc2)CC(=O)N1c1ccccc1 11027250 KGBDNUWSTHVCEN-AWEZNQCLSA-N 282.368 3.833 0 40 CHAB CC(=O)OC[C@]12COC(=C(C)C)[C@H](C(C)=C[C@H]1C)[C@H]2C 12657892 XPUXDIZNNJHBTE-SMKXDYDZSA-N 278.392 3.708 0 40 CHAB Cc1ccccc1C(=O)c1cnc(C)n1Cc1ccccc1 13281789 KWHCGGZPEMWIHZ-UHFFFAOYSA-N 290.366 3.779 0 40 CHAB Cc1ccccc1C1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1 16362635 UYQKBHAIJNPZCZ-GDNBJRDFSA-N 296.757 3.566 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)Cc1cccc(F)c1 19934968 LMJMGJHLPULXOV-CQSZACIVSA-N 285.362 3.506 0 40 CHAB Cc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1 169831119 HUNCKJWDGYQPNO-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CCc1cc(N)cc(Cl)c1N1CCCC[C@@H]1C 226315231 LPVYTPYYGXXVSW-JTQLQIEISA-N 252.789 3.863 0 40 CHAB CC(C)[C@H](C)NC(=O)CSc1nc2ccccc2s1 5034704 BPNHJZMYULRSDO-JTQLQIEISA-N 294.445 3.549 0 40 CHAB Cc1cc(NC(=O)[C@H]2CC=CCC2)ccc1N1CCCC1 11324795 CAVVYKPZVONMBF-HNNXBMFYSA-N 284.403 3.890 0 40 CHAB C[C@@H]1CCc2nc(NC(=O)/C=C\c3ccccc3)sc2C1 17246228 LBUOYAMAGMTBHB-VPUINMBXSA-N 298.411 3.920 0 40 CHAB Cc1ccccc1N1C(=O)c2cccc3cccc(c23)C1=O 175386 WSAITSYPBZBVHO-UHFFFAOYSA-N 287.318 3.949 0 40 CHAB O=C(Nc1ccccn1)c1ccccc1Oc1cccnc1 52026381 DXGMSPMTQNKGTH-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB Cc1ccc(/C=C2\N=C(c3cc(C)cc(C)c3)OC2=O)cc1 354846 SZGNBEIORZKEID-BOPFTXTBSA-N 291.350 3.956 0 40 CHAB CC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 362267 QYNKTFSUGBETNK-UHFFFAOYSA-N 259.349 3.798 0 40 CHAB C[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccc(F)c(F)c1 37277482 HGQKHRNDBWIRQR-LLVKDONJSA-N 293.361 3.767 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1cccnc1Cl 2739798 AMEBSOLACKCJPV-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB Cc1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c(C)c1 8844089 RGZCFANOZRSNRJ-UHFFFAOYSA-N 291.354 3.797 0 40 CHAB CC[C@H](C)Nc1nc(C)nc2c1oc1ccccc12 545224 BJFMPXPJFNJWKE-VIFPVBQESA-N 255.321 3.895 0 40 CHAB O=C(C[C@@H]1CCCO1)N[C@H](c1cccs1)C1CCCC1 47110378 SFXUUZPDRXCBQE-BBRMVZONSA-N 293.432 3.665 0 40 CHAB Cc1cccc(C(=O)Nc2cc(C)c(O)c(C)c2)c1 3078298 AYHICANVLORCGM-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB COc1nc(Cc2ccc(Cl)cc2)nc2ccccc12 4090142 FRNDKWINYUACPD-UHFFFAOYSA-N 284.746 3.883 0 40 CHAB O=c1cc(-c2ccc(Cl)cc2)oc2cc(O)cc(O)c12 6536308 WBVTVCBOVVJLDX-UHFFFAOYSA-N 288.686 3.525 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)NCCC1=CCCCC1 8558224 ISQIHXXEZQNMKZ-KRWDZBQOSA-N 287.403 3.851 0 40 CHAB Cc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 8598781 NOIAFRXJAOIRIO-UHFFFAOYSA-N 293.374 3.640 0 40 CHAB CC1(C)C=CN(c2ccccc2Br)C(S)=N1 54957129 PBQZBTJYFKNGSD-UHFFFAOYSA-N 297.221 3.847 0 40 CHAB COc1ccc(CCNC(=S)c2ccc(C)cc2)cc1 9188119 BZFBABSYRLSVFD-UHFFFAOYSA-N 285.412 3.511 0 40 CHAB c1cncc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 29832955 SGICBQFPSWPUSF-HNNXBMFYSA-N 293.370 3.602 0 40 CHAB Cc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)c(C)o1 12936043 XRLOCMUOYDJAPH-MRXNPFEDSA-N 269.344 3.778 0 40 CHAB CCOc1ncccc1C(=O)Nc1cccc(Cl)c1F 13098983 KIZBLIZQNZFGAE-UHFFFAOYSA-N 294.713 3.525 0 40 CHAB Cc1noc(C)c1COC(=O)C12CC3CC(CC(C3)C1)C2 5127035 AAZLJARNWOCRLY-UHFFFAOYSA-N 289.375 3.551 0 40 CHAB Cc1cccc(C)c1NC(=O)Cc1noc2c(C)cccc12 4667880 FASDMLZWQPEACB-UHFFFAOYSA-N 294.354 3.934 0 40 CHAB CC(C)(C)N(Cc1ccccc1)C(=O)c1ccncc1 4673509 XQWALAQTULPZQT-UHFFFAOYSA-N 268.360 3.523 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCCCC1 20107977 VTMKTMFCWORHBA-UHFFFAOYSA-N 265.784 3.879 0 40 CHAB CSc1cccc(NC(=O)Cc2noc3ccccc23)c1 6836727 YRFMJRPLRSSYRY-UHFFFAOYSA-N 298.367 3.731 0 40 CHAB Cc1cc(F)ccc1NS(=O)(=O)c1cccc(Cl)c1 7381953 URMDGNXKIGSTFR-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB O=C(Cc1c[nH]c2cc(Cl)ccc12)NC1CCCCC1 67956539 DYWFEVRXXYBCTA-UHFFFAOYSA-N 290.794 3.813 0 40 CHAB CCOc1ccc(SCCn2nc(C)cc2C)cc1 68044926 JSBGPXFPFRSEJY-UHFFFAOYSA-N 276.405 3.691 0 40 CHAB Cc1c(NC(=O)N2CCC[C@@H](C)C2)cccc1OC(F)F 69776512 WRBAVGNRYXEQFE-SNVBAGLBSA-N 298.333 3.860 0 40 CHAB CC[C@@H](C(=O)NCc1cc(C)ccc1OC)c1ccccc1 25557061 DPXGPPJEVZYMOC-QGZVFWFLSA-N 297.398 3.814 0 40 CHAB CC[C@@H](C)c1nc(Cl)nn1-c1ccc(F)cc1 22125792 YGWPGMJKCGRCSN-MRVPVSSYSA-N 253.708 3.573 0 40 CHAB OCc1cc(C(F)(F)F)c(Br)cc1Cl 307208446 JOZJQPFGMLSSSR-UHFFFAOYSA-N 289.478 3.614 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1C 32753749 ZOFZVIKQZQPBKL-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB N=C(O)[C@@H](c1ccccc1)N(Cc1cccs1)C1CC1 32777917 USNZTAHRJYQLPM-OAHLLOKOSA-N 286.400 3.989 0 40 CHAB OCc1ccc2oc(-c3ccccc3Cl)nc2c1 75411413 BJPKNBULNFVBKF-UHFFFAOYSA-N 259.692 3.641 0 40 CHAB CC(C)c1nn(-c2cccc(F)c2)c(Cl)c1C=O 49668282 LYIRGALRPOBUFH-UHFFFAOYSA-N 266.703 3.601 0 40 CHAB CCc1nc(NC(=O)c2ccc(Cl)cc2)sc1C 40118957 BMPUZEGGPGLCQT-UHFFFAOYSA-N 280.780 3.920 0 40 CHAB CC(C)c1cccc(NS(=O)(=O)c2cccs2)c1 13042453 MYHDXQYRRVCOHG-UHFFFAOYSA-N 281.402 3.672 0 40 CHAB Cc1nc(C[S@](=O)CCCC2CCCC2)cs1 195579386 WPFZWRJRBOJPKB-QGZVFWFLSA-N 271.451 3.671 0 40 CHAB OC1CCC(C2(C3CCC(O)CC3)C[C@H]3CC[C@H]2C3)CC1 255188521 KISFKPOMRZJSCY-BLPURTGTSA-N 292.463 3.895 0 40 CHAB CCOc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260658756 DXWTYNKMKSHAOL-SLEUVZQESA-N 290.432 3.560 0 40 CHAB O=[S@@](Nc1ccc(Br)cc1)c1ccccc1 17378466 PDBHLUWWGYDXCH-INIZCTEOSA-N 296.189 3.584 0 40 CHAB C[C@H]1C[C@@H](C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)CCC1=O 95461509 RLYIJPZIICZOPK-JURCDPSOSA-N 290.403 3.527 0 40 CHAB Cc1ccccc1C(=O)Nc1ccc(CN2CCCC2)cc1 5981926 OMAFRBHSLNDHPN-UHFFFAOYSA-N 294.398 3.843 0 40 CHAB O=C1N[C@@H](c2ccc3ccccc3c2)Oc2ccccc21 5001182 XHWFVMVKBZRTHO-GOSISDBHSA-N 275.307 3.661 0 40 CHAB CSc1sc(C(C)=O)c2c1C(=O)CC(C)(C)C2 4286244 KQKPDZSWAQSYPD-UHFFFAOYSA-N 268.403 3.828 0 40 CHAB Cc1ccc(CSCc2ccc(C(N)=O)cc2)cc1 9935547 UOACXBWVOSFLFJ-UHFFFAOYSA-N 271.385 3.527 0 40 CHAB Cc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1 170069 VHDCWVMGXYYPLY-UHFFFAOYSA-N 265.360 3.802 0 40 CHAB CCOc1cccc(CNc2cccc(C(=O)O)c2C)c1 20881181 PLBMBFWZOOTQPH-UHFFFAOYSA-N 285.343 3.704 0 40 CHAB CC(C)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 364431 KVMHOJRLZIKMBZ-UHFFFAOYSA-N 267.328 3.512 0 40 CHAB Cc1csc(NC(=O)c2sc(C(C)C)nc2C)n1 32924051 DIYFTLSUCLYSTJ-UHFFFAOYSA-N 281.406 3.592 0 40 CHAB COc1cc2ccccc2cc1C(=O)Nc1nccs1 133666 SPFVDUGUZKAOGT-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB O=C(Nc1nc2ccccc2s1)c1cccnc1Cl 175368 VAPINMZILMUTLR-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB biogenic O=C(Nc1ccc(Cl)cc1)c1cnc2ccccc2n1 213597 FVPVSZJJTVVKSK-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB Cc1ccc(NC(=O)Cc2ccccc2)cc1Cl 354070 QZYONDPSQUQPKF-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB Cc1nc2cc(NC(=O)Nc3ccc(F)cc3)ccc2o1 800456 YRKOEOZZFJQPBC-UHFFFAOYSA-N 285.278 3.919 0 40 CHAB COc1cc2c(cc1C/C=C/c1ccccc1)OCO2 1581571 PHTVQNCFMKBWFE-VMPITWQZSA-N 268.312 3.680 0 40 CHAB O=C(Nc1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 1693875 FRVNIRTZJJDUDP-ZFWWWQNUSA-N 258.365 3.873 0 40 CHAB COc1ccc(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 1711302 APKUABFBZYGPPH-CVEARBPZSA-N 288.387 3.977 0 40 CHAB CCCC[C@@H](CC)C(=O)NCCCc1ccccc1 2736544 RTFCQTFIUFKFPT-MRXNPFEDSA-N 261.409 3.952 0 40 CHAB CCSc1nnc(NC(=O)Nc2cccc(C)c2)s1 3359285 HSKUAZICEDRLIV-UHFFFAOYSA-N 294.405 3.603 0 40 CHAB CC(C)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 3900974 OJCCLXSLFFUQLD-MDBPOYHNSA-N 295.382 3.512 0 40 CHAB c1cc(-c2cn3ccccc3n2)cc(-n2cccc2)c1 4002752 PFXOPKUAXPVWEJ-UHFFFAOYSA-N 259.312 3.792 0 40 CHAB O=C(Nc1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 4035691 FRVNIRTZJJDUDP-HIFRSBDPSA-N 258.365 3.873 0 40 CHAB CC(C)CC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138166 WBFDNGMBMNSBKT-UHFFFAOYSA-N 284.403 3.709 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 6472608 QADHLRWLCPCEKT-KYQPOWKGSA-N 290.447 3.671 0 40 CHAB in-man CCCc1cc(-c2nc(C)c(C(C)=O)s2)ccn1 6719844 MTNULVPLIYPUQH-UHFFFAOYSA-N 260.362 3.669 0 40 CHAB CCCCNC(=O)c1sc(-c2ccc(C)cc2)nc1C 6759128 FAFLDDLOYMQCPU-UHFFFAOYSA-N 288.416 3.957 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1cc2c(s1)CCC2 7970644 YKUICZLYSWNNBR-UHFFFAOYSA-N 275.348 3.937 0 40 CHAB Cc1ccc(OCCNC(=O)/C=C/c2ccccc2)c(C)c1 8062745 SGJQYAPTVIELCV-PKNBQFBNSA-N 295.382 3.512 0 40 CHAB CN(Cc1cccc(Cl)c1)c1ncnc2sccc12 8063506 GPYABIQFXYYZFF-UHFFFAOYSA-N 289.791 3.981 0 40 CHAB CC(C)(C)C(=O)NC(=S)Nc1ccc2ccccc2c1 9064141 FEPRDCWVBIKWIJ-UHFFFAOYSA-N 286.400 3.699 0 40 CHAB O=C(Nc1ccc(SC(F)F)cc1)c1ccoc1 9514788 AQUUHIITCNQHHI-UHFFFAOYSA-N 269.272 3.847 0 40 CHAB COc1ccc(NC(=O)Cc2ccc(C(C)C)cc2)cc1 10096348 ZCPKDJGPAWBSGJ-UHFFFAOYSA-N 283.371 4.000 0 40 CHAB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N 13997753 DHRRWAZRFLUCFX-UHFFFAOYSA-N 298.386 3.827 0 40 CHAB c1ccc(-c2ccc(CO[C@@H]3CCCNC3)cc2)cc1 14631603 WOZOVXZTEIVCSJ-GOSISDBHSA-N 267.372 3.622 0 40 CHAB in-vitro Cc1cnc(C(=O)Nc2ccccc2-c2ccccc2)cn1 15643758 RWIYZGOGCWUHFW-UHFFFAOYSA-N 289.338 3.704 0 40 CHAB C[S@@](=O)c1ccc(/C=C2\C=Cc3ccccc32)cc1 17004832 XYWICSPUYKMEFN-QZEGLACASA-N 266.365 3.991 0 40 CHAB CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccc(C)cn12 19898838 UNVPNAGGJUIBGD-UHFFFAOYSA-N 299.761 3.922 0 40 CHAB N[C@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl 19970950 QDAAUAUXWSKBJM-OAHLLOKOSA-N 294.181 3.976 0 40 CHAB in-vitro CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 21970982 FIQFLYTVMZMVBV-UHFFFAOYSA-N 294.445 3.912 0 40 CHAB c1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)OCCO2 25259510 WEWFKFBBCLGFDP-KRWDZBQOSA-N 295.382 3.625 0 40 CHAB C[C@H](NC(=O)NCc1ccco1)c1ccc2ccccc2c1 32841246 JHFFNIOUBADOPX-ZDUSSCGKSA-N 294.354 3.993 0 40 CHAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccco1 36764654 FTZZUEVLXFJJKS-UHFFFAOYSA-N 291.350 3.842 0 40 CHAB O=C(NCCc1cccs1)c1ccccc1C(F)(F)F 36858932 JBMYEYFGXDRDCT-UHFFFAOYSA-N 299.317 3.739 0 40 CHAB Fc1ccc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 40175831 INYSMWJFFHRHJK-UHFFFAOYSA-N 273.698 3.931 0 40 CHAB O=C(C[C@H]1CCCO1)N[C@H](c1cccs1)C1CCCC1 47110380 SFXUUZPDRXCBQE-CJNGLKHVSA-N 293.432 3.665 0 40 CHAB Cc1nc2ccc(NC(=O)OCC(F)(F)F)cc2s1 48264408 CVSIYRCZSXPQOE-UHFFFAOYSA-N 290.266 3.716 0 40 CHAB Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(C)n1 51065878 RXNWFJPWTNKAKZ-UHFFFAOYSA-N 294.398 3.718 0 40 CHAB CCc1ccc(OCc2nc(C)cc(Cl)n2)cc1 58043400 JOSDFZSHJAOAJQ-UHFFFAOYSA-N 262.740 3.580 0 40 CHAB Cc1cccc(OCC(=O)NCCC2=CCCCC2)c1C 59181204 CYSITLFMXSXESQ-UHFFFAOYSA-N 287.403 3.689 0 40 CHAB CC(C)CN(CC(C)C)C(=O)[C@@H](C)Oc1ccccc1 59240520 HXVSCTUYQNTWOI-OAHLLOKOSA-N 277.408 3.595 0 40 CHAB Cc1nc(NC(C)(C)C)ccc1[C@H](N)c1ccccc1 72225022 ZSYPNXJCFCAXMO-MRXNPFEDSA-N 269.392 3.649 0 40 CHAB Cc1ccc(CNC(=O)c2cc(F)ccc2Cl)cc1 72331772 IZWTZHJUPOGMJO-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB Cc1cccc(NCc2csc(-c3cnn(C)c3)n2)c1C 75110236 UPQJLLQWJSGVAK-UHFFFAOYSA-N 298.415 3.773 0 40 CHAB CCOCc1ccccc1NCc1nccn1C(C)C 95965276 FTMSQOPSGKQDIQ-UHFFFAOYSA-N 273.380 3.613 0 40 CHAB O=C(Nc1ccccc1F)c1cccc2c1CCCC2 96171300 PKGQJQSWWPSWSV-UHFFFAOYSA-N 269.319 3.957 0 40 CHAB O=C(NC1CCCC1)c1cc(-c2ccco2)cs1 96183675 UCLSRJJSMOGFTQ-UHFFFAOYSA-N 261.346 3.681 0 40 CHAB Cc1cccnc1[C@@H](NC(=O)[C@H]1CC=CCC1)C(C)C 96406301 RYXIOAMFPZELDO-GJZGRUSLSA-N 272.392 3.560 0 40 CHAB CC[C@H](c1ccccc1)c1nnc(NCc2cccnc2)o1 97036880 TYRZZTKYINNVPY-OAHLLOKOSA-N 294.358 3.619 0 40 CHAB CS[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 98010360 VXMBOZWFLWUUHA-SSDOTTSWSA-N 254.742 3.814 0 40 CHAB CCCCc1c(O)c2ccccc2n(CCCC)c1=O 100294436 HQJNWEYTMIIJNY-UHFFFAOYSA-N 273.376 3.850 0 40 CHAB FC(F)(F)c1ccc2c(c1)nc(Cl)c1nccn12 102236469 NALNOQGMEBMKJN-UHFFFAOYSA-N 271.629 3.555 0 40 CHAB CCCN(C(=O)c1cccc(-c2cn[nH]c2)c1)C1CCCC1 102547239 CUPUCGZNEXZVQK-UHFFFAOYSA-N 297.402 3.872 0 40 CHAB C[C@@H](NC(=O)/C=C/c1cccs1)[C@H]1C[C@H]2CC[C@H]1C2 108051439 NHTFWWAFMBTKOR-HOBKBVDKSA-N 275.417 3.702 0 40 CHAB CSc1ccccc1NC(=O)c1cnc(C2CC2)nc1C 222567498 WVYBWGDNGPYYAZ-UHFFFAOYSA-N 299.399 3.637 0 40 CHAB CNCCCNc1cc(C)nc2c(C)cc(Cl)cc12 222688619 OGYFJAFYPUFRHV-UHFFFAOYSA-N 277.799 3.526 0 40 CHAB CC(C)CO[C@@H](Cc1cccc(Cl)c1Cl)C(=O)O 225084489 RDMOOLGLTDHUPV-NSHDSACASA-N 291.174 3.662 0 40 CHAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1 225940352 OATSEFOCKNJXOI-UHFFFAOYSA-N 281.355 3.674 0 40 CHAB CCc1cc(N)cc(Br)c1N1CCC[C@@H](C)C1 226315386 ZWMJUZITSPXZTH-SNVBAGLBSA-N 297.240 3.830 0 40 CHAB C[C@@H]1CC[C@H](Nc2ccccc2C[S@](C)=O)C[C@H]1C 252587390 XWSFVTKYFIVRCA-BFDPJXHCSA-N 279.449 3.802 0 40 CHAB CC[C@H](C)Oc1cccc([C@H](C)NC[C@H]2CCCO2)c1 260572148 JLUASHWRFHLWRX-GRDNDAEWSA-N 277.408 3.694 0 40 CHAB CCCCCN1C(=O)S/C(=C\c2ccco2)C1=O 409218033 SGHDWYUZXUGSEC-LUAWRHEFSA-N 265.334 3.506 0 40 CHAB CC[C@]1(CNCc2ccccc2)OCCc2ccccc21 521394251 ZDTMCLQRGBNEFQ-LJQANCHMSA-N 281.399 3.654 0 40 CHAB O=C(c1ccccc1F)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009191 XLMOVQVDIXHZIY-GJZGRUSLSA-N 285.362 3.929 0 40 CHAB CCOc1ccccc1C=C1C(=O)Nc2ccccc21 1857775703 MEZFKCPUSMBMAY-UHFFFAOYSA-N 265.312 3.578 0 40 CHAB C[C@H](c1ccccc1)N1CCC[C@H](COc2ccncc2)C1 1888860186 QTCZJRWRFVPTKF-SJORKVTESA-N 296.414 3.934 0 40 CHAB Cc1ccc2oc(-c3ccc(F)cc3)c(O)c(=O)c2c1 115257 DBTGGENNGACGPB-UHFFFAOYSA-N 270.259 3.613 0 40 CHAB CCOc1ccccc1C(=O)N[C@H](C)c1ccccc1 128754 CHDBZNZUQCQBPE-CYBMUJFWSA-N 269.344 3.576 0 40 CHAB CC(C)C(=O)Nc1nc2ccc(Cl)cc2s1 181079 ILSASIBJTOMQEA-UHFFFAOYSA-N 254.742 3.544 0 40 CHAB O[C@]1(c2ccccc2)c2ccccc2N=C2CCCCCN21 482088 HRVYRYGFPZSANZ-LJQANCHMSA-N 292.382 3.800 0 40 CHAB Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)O 873564 LXOWNWOCCIIDNC-UHFFFAOYSA-N 268.725 3.547 0 40 CHAB O=C(N/C=C/c1ccco1)OCc1ccccc1Cl 1382479 MBHWBOHIFYKZGX-BQYQJAHWSA-N 277.707 3.830 0 40 CHAB FC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1 1404258 BTQQRTVTLFERGV-UHFFFAOYSA-N 290.248 3.787 0 40 CHAB Cc1ccc([C@H](CC(=O)O)[C@@H]2CCOC(C)(C)C2)cc1 1856573 SJEKEWDPPWCSOR-CABCVRRESA-N 276.376 3.759 0 40 CHAB biogenic,in-vitro CC(C)[C@]1(CCNCc2ccco2)CCOC(C)(C)C1 2103096 ZJLQNGZFFWDROY-QGZVFWFLSA-N 279.424 3.991 0 40 CHAB biogenic CCCCCC(=O)Nc1nnc(-c2ccccc2)s1 3016548 KVSUDYGMHRAACZ-UHFFFAOYSA-N 275.377 3.724 0 40 CHAB CC(C)c1ccc(CNC(=O)CCc2ccccc2O)cc1 3151101 HFGOFWLOMOTSPB-UHFFFAOYSA-N 297.398 3.765 0 40 CHAB CSc1ncccc1C(=O)Nc1cc(C)ccc1C 3293240 YJWOOQQNPWUWLN-UHFFFAOYSA-N 272.373 3.673 0 40 CHAB Cc1noc(C)c1C(=O)Oc1ccc(Cl)cc1Cl 3452863 MQPQLEGIEPMODT-UHFFFAOYSA-N 286.114 3.817 0 40 CHAB COc1ccc(NC(=S)NCCC2=CCCCC2)cc1 4065257 XBFBVZFLRXUCNT-UHFFFAOYSA-N 290.432 3.872 0 40 CHAB CC[C@H](C)[C@H](N)c1nnc(SCc2cccc(F)c2)o1 4310151 GALYNSRAFSHBLM-CABZTGNLSA-N 295.383 3.547 0 40 CHAB CC1(C)CCCN(c2ncnc3c2[nH]c2ccccc23)C1 4862807 MRGYFXRDPQMADL-UHFFFAOYSA-N 280.375 3.738 0 40 CHAB C[C@H]1CC(=O)CC[C@]2(C)[C@@H](OC(C)(C)C)CC[C@H]12 5706441 VONPHBXPKMRMFD-AEIGPULVSA-N 252.398 3.976 0 40 CHAB O=C(NCc1ccc(F)cc1)c1cc(F)c(F)cc1Cl 6305902 VFHZZZDUVKTPCG-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB Clc1ccccc1-c1nc(-c2ccccc2)n[nH]1 6552240 AHWJVKKSEVAPMR-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB C[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1 7751024 ABWLIHGBNURMJW-ZDUSSCGKSA-N 291.354 3.568 0 40 CHAB CCc1cccc(C)c1NC(=O)CNc1cccc(F)c1 7971952 VDSSEPSQSVOYPG-UHFFFAOYSA-N 286.350 3.747 0 40 CHAB CCCSc1nnc(NCc2ccc(OC)cc2)s1 8354134 FQMSERXEYIIQKP-UHFFFAOYSA-N 295.433 3.661 0 40 CHAB Cc1cccc(CC(=O)Nc2ccc(C)c(C)c2)c1 8382883 VLIQNZKXKSGGDL-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB Cc1cccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)c1 8598677 UVRHTNTVDHKUSH-UHFFFAOYSA-N 293.374 3.640 0 40 CHAB CCCCc1c(C)nc2ccc(C(=O)OCC)cc2c1O 9554199 DAJYJYGUZPRRDJ-UHFFFAOYSA-N 287.359 3.768 0 40 CHAB CCCCc1nnc2sc(-c3cccc(C)c3)nn12 11277851 QHKBMNIDJPMDSI-UHFFFAOYSA-N 272.377 3.504 0 40 CHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(F)cc1)C2 12619117 JKLGNCDZKSBYQT-OAHLLOKOSA-N 287.359 3.790 0 40 CHAB CC[C@H]1CCc2sc(C(=O)NC3CCCC3)cc2C1 12785060 AYJYBNBOWXKDBL-NSHDSACASA-N 277.433 3.935 0 40 CHAB Cc1ccc(-c2nc(C(=O)NC3CCCC3)cs2)cc1 12868989 STBBZVCMMNVUSB-UHFFFAOYSA-N 286.400 3.791 0 40 CHAB O=C(Nc1ccccc1OC(F)(F)F)[C@@H]1CC=CCC1 13007972 YWBFUNZODMPBGC-SNVBAGLBSA-N 285.265 3.880 0 40 CHAB CC(C)(C)NC(=S)Nc1cccc2ccccc12 13820536 XEJRIRZICCHKFF-UHFFFAOYSA-N 258.390 3.925 0 40 CHAB CCCCCCNC(=O)N1CCC[C@H]2CCCC[C@H]21 16637961 FUIBNSFIKHECCW-HUUCEWRRSA-N 266.429 3.931 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(F)c(F)c1 19074393 PJESMCPWNUFOSF-MRXNPFEDSA-N 287.309 3.772 0 40 CHAB c1cc(-c2cc[nH]n2)cc(-c2nccc3occc23)c1 19790971 FZQPYMDBVPEWKK-UHFFFAOYSA-N 261.284 3.885 0 40 CHAB COc1ccc([C@@H](C)NC2CCC(C)CC2)c(OC)c1 19918005 KHGDUCLLIVORHM-ROKHWSDSSA-N 277.408 3.933 0 40 CHAB in-vitro Cc1ccc(-c2noc(-c3ccc(N)c(C)c3)n2)cc1 21818363 DCVQSKDHMZXFFK-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CCOc1ccccc1-n1c(C)c(C)c(C=O)c1C 22122400 JICXGUAVLJBADU-UHFFFAOYSA-N 257.333 3.614 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 27927163 IFNLDRTXBINMKB-UHFFFAOYSA-N 298.173 3.596 0 40 CHAB Cc1ccc([C@H](C)NC(=O)NC2CCCCC2)c(C)c1 28221251 UYQJEIHTQVWKQS-AWEZNQCLSA-N 274.408 3.996 0 40 CHAB O=C(c1cccs1)c1c(F)c(F)c(F)c(F)c1F 35898924 ZFMFBOACIDWFFQ-UHFFFAOYSA-N 278.201 3.675 0 40 CHAB Nc1cccc(Nc2nc(-c3ccccn3)cs2)c1 36241819 RRLPKXTWBKNZQQ-UHFFFAOYSA-N 268.345 3.531 0 40 CHAB CC(C)c1nn(-c2ccc(Br)cc2)cc1C=O 36894325 OREXVZJVFPOEKP-UHFFFAOYSA-N 293.164 3.571 0 40 CHAB in-vitro Cc1ccc(N[C@H](C(=O)N(C)C)c2ccccc2)c(C)c1 39982326 YLDPWOVNFJJGIY-KRWDZBQOSA-N 282.387 3.545 0 40 CHAB Cc1ccc(Cl)c(OCC[C@H]2CCCCN2)c1 42772376 VEWSQFRLEQRDEJ-GFCCVEGCSA-N 253.773 3.559 0 40 CHAB CC[C@@H](C)c1ccc(O[C@@H]2CCCNC2)c(Cl)c1 42775036 RDXNLUDUYXGEEU-DGCLKSJQSA-N 267.800 3.984 0 40 CHAB CCCC1CCC(NCC2(O)CCCCC2)CC1 49545250 AABRZRNJNMDXEG-UHFFFAOYSA-N 253.430 3.630 0 40 CHAB COc1ccc2cc([C@@H](O)c3ccco3)ccc2c1 49956080 OZWNHCICXOPXRS-MRXNPFEDSA-N 254.285 3.523 0 40 CHAB Cc1noc(C)c1CCC(=O)N(C)[C@H](C)c1cccs1 53314589 HTLSRKNYMIOUJQ-LLVKDONJSA-N 292.404 3.505 0 40 CHAB O=C(CCc1ccc(Br)cc1)C(F)(F)F 57578541 IMVYLSMMUTWCQG-UHFFFAOYSA-N 281.071 3.513 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 68563693 AQRWTIKKFFSMID-CZUORRHYSA-N 297.402 3.793 0 40 CHAB CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 69451750 MCOPFALSNXBZAU-CZUORRHYSA-N 299.418 3.766 0 40 CHAB C[C@H]1CCCCN1C(=O)c1cccc(Oc2ccncc2)c1 69848743 CRGYPUAGCUURNI-AWEZNQCLSA-N 296.370 3.889 0 40 CHAB CCOC(=O)c1c(-n2cccc2)sc2c1CC[C@@H](C)C2 70451587 QXAIATVFMCLRKD-LLVKDONJSA-N 289.400 3.840 0 40 CHAB CCOC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1 70462647 SLMCGTWTRPXBEW-UHFFFAOYSA-N 296.798 3.844 0 40 CHAB Cc1ccc(C)c(CSc2ccc(-n3ccnc3)nn2)c1 70688614 VJYSVYAYHFFTCV-UHFFFAOYSA-N 296.399 3.571 0 40 CHAB COC(=O)c1cc2sccc2c(-c2ccccc2F)n1 72209388 ZPTJIKZUVHHURM-UHFFFAOYSA-N 287.315 3.889 0 40 CHAB Cc1ccnc([C@@H]2CCCCN2C(=O)c2ccccc2)c1 72211221 OBFAIJKWHHFJES-KRWDZBQOSA-N 280.371 3.757 0 40 CHAB CN(c1ccccc1)c1ccc([C@H](N)c2ccccc2)cn1 72225332 ILUBAKYXMAHTMH-LJQANCHMSA-N 289.382 3.898 0 40 CHAB CC(=O)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72357546 SGYIAQZCZLVKAU-OAHLLOKOSA-N 298.361 3.614 0 40 CHAB Cc1cccc(C(=O)Nc2cnc3ccccc3c2)c1 72414310 NWIZHCCPDCHXHR-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)C1 83881604 CSSJFELVEGWOJH-PSASIEDQSA-N 287.190 3.697 0 40 CHAB CC(C)Sc1ccc(Cl)cc1NCc1ncnn1C 86206622 BHZDUXACYHAHLB-UHFFFAOYSA-N 296.827 3.581 0 40 CHAB CCOc1ccccc1C(=O)c1ccc(F)cc1C 89064290 NVGRGWMEKDQLLR-UHFFFAOYSA-N 258.292 3.764 0 40 CHAB CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C)C[C@H]1C 95407514 YYJKHSYWKMSSGB-NWDGAFQWSA-N 294.370 3.877 0 40 CHAB CC(C)(C)OC(=O)N1CCc2cccc(Cl)c2C1 95755822 VVHSHOSHSZLAIN-UHFFFAOYSA-N 267.756 3.633 0 40 CHAB Cc1ccccc1C1CC(N[C@@H](C)C(C)(C)CN(C)C)C1 97377085 FAWUPOKXOMRNBH-GTPINHCMSA-N 288.479 3.807 0 40 CHAB C[C@@H](NC(=O)c1cc2ccccc2o1)[C@H]1C[C@H]2CC[C@H]1C2 104657555 VYUGXMKFMWEWJD-UKTARXLSSA-N 283.371 3.987 0 40 CHAB CC(C)c1ccccc1OCCNC(=O)c1ccccc1 110509214 UAMZABYFMLTCNR-UHFFFAOYSA-N 283.371 3.619 0 40 CHAB O=C(Nc1ccc(F)cn1)c1ccc(Cl)cc1Cl 170677123 HLPHOVVUKPSQPL-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225169314 AKLOEFCTUBRSNM-KBPBESRZSA-N 289.419 3.638 0 40 CHAB CCN(CC)C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225257948 GUUBTAUKLXBRTK-UHFFFAOYSA-N 293.370 3.712 0 40 CHAB CCCCN1CC=C(c2nc3ccccc3o2)CC1 226250859 XFBCANVVRYQSMB-UHFFFAOYSA-N 256.349 3.717 0 40 CHAB C[C@H]1C[C@H](C)CN(c2cc(N)cc(C(F)(F)F)c2)C1 228931130 GQRLSFLSFVWEEN-UWVGGRQHSA-N 272.314 3.770 0 40 CHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 245253812 GIXJWQWFZRJSRT-YFHXEIQVSA-N 281.446 3.625 0 40 CHAB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)c2ccccc21 409114531 GYWBDNKQFKFQFW-VBKFSLOCSA-N 293.366 3.911 0 40 CHAB Fc1cccc(Br)c1SC(F)F 604221851 SPWYZSPJKGAREL-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB CC(C)c1cccc2sc(N3CCC[C@@H](CO)C3)nc12 1889111369 CRRFWIHFMWNDLA-GFCCVEGCSA-N 290.432 3.628 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)n1c2nc2ccccc21 107133 CUQCMKVZKQHUMW-MGPLVRAMSA-N 254.333 3.600 0 40 CHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 235449 JVGMBZMVICZJCK-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB CCCN1C(=O)N(c2cccc(C)c2)[C@@](C)(O)CC1(C)C 500770 FOTASIVLDPUVDI-KRWDZBQOSA-N 290.407 3.524 0 40 CHAB Cc1cc2n(n1)[C@@H](c1cccc(O)c1)Nc1c(C)cccc1-2 818122 OKYVXGTZPHTRPK-SFHVURJKSA-N 291.354 3.845 0 40 CHAB CN[C@@H](Cc1ccc(C)cc1)c1ccc(OC)cc1 1669553 HHUWZLMTGJHFSK-KRWDZBQOSA-N 255.361 3.507 0 40 CHAB O[C@H](CCC[C@@H](O)c1ccccc1)c1ccccc1 1734023 DLZYVGAWUPIIFB-IAGOWNOFSA-N 256.345 3.624 0 40 CHAB O=C(NCc1ccccc1)c1ccc(C(F)(F)F)cc1 2652538 MVMBCPQNHHXPIH-UHFFFAOYSA-N 279.261 3.635 0 40 CHAB O=C(CC(c1ccccc1)c1ccccc1)n1cccn1 2736566 YGIUOUXFHCCOML-UHFFFAOYSA-N 276.339 3.746 0 40 CHAB O=C(NCCCc1ccccc1)c1cc2c(s1)CCC2 3230501 JAYFUQBDAAQRGU-UHFFFAOYSA-N 285.412 3.599 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3nsnc3c2)cc1 4778164 MNSZMJLFZPBUCE-UHFFFAOYSA-N 284.344 3.644 0 40 CHAB Cc1ccc(NC(=O)c2ccc3ccccc3c2)nc1 5090478 UQZDTVOXLSLWRN-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB CCOC(=O)c1c(C)n(CCC(C)C)c2ccc(O)cc12 5327447 XKHYWZWLJDWUIX-UHFFFAOYSA-N 289.375 3.878 0 40 CHAB C[C@H](NC(=O)CSCc1ccccc1)c1ccccc1 6260537 OBQDZTUYIBODGS-AWEZNQCLSA-N 285.412 3.797 0 40 CHAB Cc1cnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 7800830 XYDPFAJFITZORZ-QPJJXVBHSA-N 278.764 3.757 0 40 CHAB COCc1cccc(C(=O)Nc2ccc(F)cc2C)c1 8302841 MRHFLSHWOQNNNG-UHFFFAOYSA-N 273.307 3.533 0 40 CHAB Cc1nc2c(C)cccc2c(O)c1CN1CCCCC1 8714599 ZHJAXNIPIYQAKJ-UHFFFAOYSA-N 270.376 3.543 0 40 CHAB biogenic COc1ccc(C)cc1-c1csc(NC(=O)C(C)C)n1 9337379 UCVNVKFQACUQCD-UHFFFAOYSA-N 290.388 3.722 0 40 CHAB CSc1cccc(C(=O)Nc2cc(C)nn2C(C)C)c1 11695194 OGPNBGPWGWGAEY-UHFFFAOYSA-N 289.404 3.747 0 40 CHAB O=C(/C=C/c1cccnc1)Nc1cc(Cl)ccc1F 12646072 BNQIPBSJDHFNII-ZZXKWVIFSA-N 276.698 3.526 0 40 CHAB CC1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1 13326073 SYVXFBRXNZTWIN-UHFFFAOYSA-N 265.784 3.577 0 40 CHAB O[C@@H](CNCc1c(Cl)cccc1Cl)c1ccccc1 16477357 QNNLFCLLLIGVJI-HNNXBMFYSA-N 296.197 3.817 0 40 CHAB Cc1cccc(CN2CC[C@H](c3nc(C(C)(C)C)no3)C2)c1 19234947 WHZHZJXFJUHVRH-HNNXBMFYSA-N 299.418 3.665 0 40 CHAB COc1cc(NCc2ccc(F)c(F)c2)cc(OC)c1 19909379 WTTVOOZZJMYGLE-UHFFFAOYSA-N 279.286 3.594 0 40 CHAB CCOc1cc(CNc2ccc(CC)cc2)ccc1O 19955104 SUEAMPHTECVNJS-UHFFFAOYSA-N 271.360 3.965 0 40 CHAB O=C(O)c1ccccc1Oc1cccc(Br)c1 20080764 QSUCZMCOVPCEKA-UHFFFAOYSA-N 293.116 3.940 0 40 CHAB in-vitro CC(C)COc1ccc(C2(C(=O)O)CCCC2)cc1 20429476 XJTJBBONENYCBT-UHFFFAOYSA-N 262.349 3.618 0 40 CHAB in-vitro CC(C)c1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1 20550334 HACNKYHBYZEZLZ-UHFFFAOYSA-N 297.358 3.553 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1Cc1ccccc1)C(=O)O 22149850 BCTZOGLOMWLHGD-LLVKDONJSA-N 290.746 3.783 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C)c(Cl)c1 25365148 YSWDESNIRVJNJH-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 32165186 GDDOBIMJBJFCTR-UHFFFAOYSA-N 296.248 3.631 0 40 CHAB CC(=O)Nc1ccc(F)c(NC(=O)CC2CCCCC2)c1 32754253 BHLGLWBFWXWQJF-UHFFFAOYSA-N 292.354 3.693 0 40 CHAB Cc1ccccc1Cc1n[nH]c(SCc2ccccc2)n1 34051740 QKHYPIHJKBUPOI-UHFFFAOYSA-N 295.411 3.996 0 40 CHAB COc1ccc(C(=O)CCC2CCCC2)cc1F 35423879 FDFDHWSHBQSJNR-UHFFFAOYSA-N 250.313 3.987 0 40 CHAB Nc1[nH]nc(C(F)(F)F)c1-c1ccc(Cl)cc1Cl 36935801 GXHMLIYJNWMXMN-UHFFFAOYSA-N 296.079 3.985 0 40 CHAB CCOc1cccc(/C=C/C(=O)O)c1OC1CCCCC1 36986139 COUZHCLJVOYYMR-VAWYXSNFSA-N 290.359 3.895 0 40 CHAB in-vitro COc1ccccc1NC(=O)N1CC[C@@H](c2ccccc2)C1 38567338 DWFWXDDSOKIPDC-OAHLLOKOSA-N 296.370 3.717 0 40 CHAB CC(C)(C)OC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 39409899 SLDDOBPIIRVZPF-CBAPKCEASA-N 265.180 3.919 0 40 CHAB CCCCOc1ccc2cc(C(=O)N(CC)CC)[nH]c2c1 40120407 VMWRRIFWGDBJFT-UHFFFAOYSA-N 288.391 3.829 0 40 CHAB Cc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1F 41091281 LPRRMTWPVSVLMK-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Cc1ccc(CN(C)C(=O)c2cccc(Cl)c2)cc1 44901511 QEVVUPWIMBDDSE-UHFFFAOYSA-N 273.763 3.921 0 40 CHAB O=Cc1ccc(-c2nc3ccc(F)cc3s2)cc1 45923127 DSWROIBPZRLMBD-UHFFFAOYSA-N 257.289 3.915 0 40 CHAB CC[C@@H](C)NC(=O)Nc1cccnc1Oc1ccccc1 48342514 QCOWIJZHXVHYDE-GFCCVEGCSA-N 285.347 3.794 0 40 CHAB CCN(Cc1cn2cccc(C)c2n1)Cc1ccccc1C 58919225 DSCSIEFUDCYEBG-UHFFFAOYSA-N 293.414 3.973 0 40 CHAB CC[C@@H]1CCCCN1Cc1nc2cc(F)ccc2n1CC 60375377 UBIVJYASTZKXLJ-CQSZACIVSA-N 289.398 3.960 0 40 CHAB CNc1nc2c(s1)[C@@H](c1cccc(F)c1F)CC(O)=N2 61718829 HASVUIKLUCXREU-SSDOTTSWSA-N 295.314 3.587 0 40 CHAB Cc1ccc([C@H](O)c2ccc(Cl)cc2Cl)cn1 68855951 GMMDCAMQRDFBRT-ZDUSSCGKSA-N 268.143 3.779 0 40 CHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1Cc1ccccc1 71835200 VOYDZCOAFFUSCA-IXDOHACOSA-N 295.382 3.617 0 40 CHAB COc1cccc(-c2nc(COc3ccccn3)cs2)c1 73699960 AQRGPBRSBXOCEL-UHFFFAOYSA-N 298.367 3.793 0 40 CHAB CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H](C)c1cccc(Cl)c1 79418690 HOUGXEVCNRRANU-WFASDCNBSA-N 296.842 3.621 0 40 CHAB Cc1cccc(CC(=O)Nc2cncc3ccccc23)c1 89762569 VGTLCIFBGULFDX-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB C[C@H](c1ccc(C(=O)O)o1)N1CC[C@H](c2ccccc2)C1 91782138 XDOMRYDHWLBXEU-OCCSQVGLSA-N 285.343 3.528 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)cc1F 95917363 VCFPJIWTAPLGKM-UHFFFAOYSA-N 290.162 3.752 0 40 CHAB COC[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccco1 96478953 MUVSSQNOMIUYPW-HZMBPMFUSA-N 281.302 3.596 0 40 CHAB c1ccc(OCCn2ccnc2)c(NCc2ccsc2)c1 96482800 CPCNBIYMWKYKBU-UHFFFAOYSA-N 299.399 3.636 0 40 CHAB Cc1ccc([C@@H](C)NCc2nc3cc(F)ccc3o2)o1 97374024 MXFSXPNYTXAWIL-SNVBAGLBSA-N 274.295 3.719 0 40 CHAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1C 102762851 SARMQCKLFJLBAG-SECBINFHSA-N 277.364 3.546 0 40 CHAB CC(C)[C@@H]1CC[C@H](C)[C@H](COC(=O)c2ccccc2)C1=O 103210818 VFYMSGHHSKKLOQ-BPUTZDHNSA-N 288.387 3.731 0 40 CHAB O=C1C[C@@H]2C=CC=C[C@H]2N1c1c(Cl)cccc1Cl 216645091 GGLIFNUEQAHJRB-JOYOIKCWSA-N 280.154 3.841 0 40 CHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222567905 CKRIKJQXXKZMFY-TUKIKUTGSA-N 299.399 3.572 0 40 CHAB CCN1c2c(OC)cc(C=O)cc2C(C)=CC1(C)C 223180406 DETIINJWLNRGOX-UHFFFAOYSA-N 259.349 3.530 0 40 CHAB CCCC[C@@H](CC)CNC(=O)[C@@H](c1ccccc1)N(C)C 225118411 WJKQPYGPWQFUOP-NVXWUHKLSA-N 290.451 3.622 0 40 CHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)C(C)C 225230661 GMHVAEXWCFKQBA-HOCLYGCPSA-N 277.408 3.622 0 40 CHAB Cc1cccc(CCCNC(=O)Cc2ccc(C)cc2C)c1 225363093 LQJNYRXXSDTVNR-UHFFFAOYSA-N 295.426 3.903 0 40 CHAB CC(C)Cn1c(C=O)ccc1CCc1ccccc1 226028359 FLSMHJYQCGFACO-UHFFFAOYSA-N 255.361 3.742 0 40 CHAB CCC[n+]1cccc(-c2nc3cc(Cl)ccc3o2)c1 226774648 NNRFJPZWNYRCOZ-UHFFFAOYSA-N 273.743 3.846 0 40 CHAB CC[C@H](C)Oc1cccc([C@@H](C)NC[C@H]2CCCO2)c1 260572154 JLUASHWRFHLWRX-JJRVBVJISA-N 277.408 3.694 0 40 CHAB CC[C@@H](C)C(=O)c1ccc(OC)c(C(F)(F)F)c1 575360778 MOGMTMLUDFWVFE-MRVPVSSYSA-N 260.255 3.943 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1cccc(Cl)c1Cl 575360993 ZBHCBBCEYJVFIT-UHFFFAOYSA-N 275.131 3.518 0 40 CHAB Nc1ccc(-c2nc3c(ccc4ccccc43)[nH]2)cc1 253372 ICNQHIYFQMEHON-UHFFFAOYSA-N 259.312 3.965 0 40 CHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCCC1 281548 DXVULXUMOULTCU-NSHDSACASA-N 283.824 3.833 0 40 CHAB Cc1ccc(CN2CCSc3sccc3C2=O)cc1 1402075 PISXJFXSRUITFV-UHFFFAOYSA-N 289.425 3.805 0 40 CHAB CCCCCn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1772839 BFSRRHKRMULLLD-NSHDSACASA-N 290.432 3.773 0 40 CHAB CCOC(=O)c1ccc(C(=O)CCc2ccccc2)cc1 2516321 URFKPOPPBNTGDB-UHFFFAOYSA-N 282.339 3.679 0 40 CHAB CCCNc1ccnc2cc(Br)ccc12 2577925 CHGXKUBKMMDOJB-UHFFFAOYSA-N 265.154 3.819 0 40 CHAB CCCCCC[C@H](C)NC(=O)Cc1cccs1 2727531 PCSGYUBIVBTVBV-LBPRGKRZSA-N 253.411 3.766 0 40 CHAB Cc1ccc(C(=O)O[C@H](C)CN2[C@@H](C)CCC[C@@H]2C)cc1 3904900 VMMIODCQIXEPNU-HRCADAONSA-N 289.419 3.803 0 40 CHAB O[C@@]1(C(F)(F)F)ON=C2/C(=C/c3ccccc3)CCC[C@H]21 4269875 RHOOTQAOZKPADG-CSJUJBHWSA-N 297.276 3.507 0 40 CHAB Cc1cccc([C@@H](O)c2cnc(C)n2Cc2ccccc2)c1 5504113 XEDGJJXZHZCQOF-LJQANCHMSA-N 292.382 3.630 0 40 CHAB Cc1nnc(CSc2cc(C)c3cccc(C)c3n2)o1 5581924 SNWGXOKRWAQWJV-UHFFFAOYSA-N 285.372 3.835 0 40 CHAB O=C(CCC(=O)c1ccccc1)Nc1ccc(Cl)cc1 6406503 CYMBDUYXALRMMU-UHFFFAOYSA-N 287.746 3.942 0 40 CHAB O=C1C[C@@H](C2CCCCC2)c2c(c3ccccc3[nH]c2=O)O1 6667845 RAZQPNBBWUNGJU-ZDUSSCGKSA-N 297.354 3.501 0 40 CHAB CCc1ccc2oc(C(=O)Nc3nonc3CC)c(C)c2c1 6743422 NBDVMWUSVYGDPY-UHFFFAOYSA-N 299.330 3.501 0 40 CHAB Cc1ccc(NC(=O)CN(C)C2CCCCC2)c(Cl)c1 7786572 VGKSHCNUUOSNDN-UHFFFAOYSA-N 294.826 3.851 0 40 CHAB Cc1cccc2c1N(C(=O)c1cccc(F)c1)CCC2 10971337 YNSUYZYUUPIQCH-UHFFFAOYSA-N 269.319 3.727 0 40 CHAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCC2 11593194 KWWLIDWORASYIW-UHFFFAOYSA-N 255.292 3.567 0 40 CHAB CN(C(=O)c1ccc(F)cc1)c1nc2ccccc2s1 12806646 YJWAONPJULIYGQ-UHFFFAOYSA-N 286.331 3.712 0 40 CHAB COc1ccc2ccccc2c1[S@@](=O)Nc1ccccc1 12952809 JJBYLLGZOQBFTF-NRFANRHFSA-N 297.379 3.983 0 40 CHAB COc1ccc(NCc2nc3ccccc3nc2C)cc1 16265237 XEURHSIVKZIVFA-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB S=C1Cc2ccccc2[C@H](c2ccc(Cl)cc2)N1 18191161 IFBQTHVUDONCPV-HNNXBMFYSA-N 273.788 3.903 0 40 CHAB Cc1cccc(NC(=O)Nc2cc(F)ccc2F)c1 19075113 SKQGXFAPXTXYNP-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc2ncccc12 20913448 WENWJBPVAUMDER-CYBMUJFWSA-N 292.338 3.641 0 40 CHAB O=C(c1cc(Cl)ccn1)N1CCC[C@@H]2CCCC[C@H]21 32731057 YLMNECIKGRFTAK-SMDDNHRTSA-N 278.783 3.530 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32818738 JGBAGSHEFSYHMD-ONGXEEELSA-N 272.348 3.720 0 40 CHAB C[C@@H](Sc1ncn[nH]1)c1ccc(C(F)(F)F)cc1 34018225 ISFAKAKGBZPKIC-SSDOTTSWSA-N 273.283 3.677 0 40 CHAB C[C@H](NC(=O)c1cccn1C)c1ccc(C(F)(F)F)cc1 36391514 DGNSAKXVEYGWIK-JTQLQIEISA-N 296.292 3.535 0 40 CHAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccco1 40115740 FEPNYFAOWSPOHE-UHFFFAOYSA-N 298.273 3.858 0 40 CHAB CC[C@H]1CCCCN1c1ncc(Br)cc1C 42783640 VPSFXKAONTZEKE-LBPRGKRZSA-N 283.213 3.921 0 40 CHAB CN(c1ccc(N)cc1Br)C1CCCCC1 43596457 GEUREMMREWATFA-UHFFFAOYSA-N 283.213 3.800 0 40 CHAB CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccco1 48353722 QBBHXCDOBHEZAE-LBPRGKRZSA-N 273.332 3.558 0 40 CHAB CCOc1ccc([C@H]2CCCN2C(=O)C2CCCC2)cc1 52975384 KLGWLLVAOMVNID-QGZVFWFLSA-N 287.403 3.939 0 40 CHAB O=C(NCc1nc2ccccc2s1)Nc1ccccc1 57503664 FPQJJRUOBQQWSI-UHFFFAOYSA-N 283.356 3.618 0 40 CHAB CCc1cc2c(NC3(C)CCCC3)ncnc2s1 58065677 GNBOSPAFWTZVNC-UHFFFAOYSA-N 261.394 3.998 0 40 CHAB CCN(CCC(F)(F)F)C(=O)c1ccccc1Cl 65622192 UDCJQXBKZQFMBG-UHFFFAOYSA-N 279.689 3.755 0 40 CHAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 71863618 YBCLWAOTYXDSHI-OAHLLOKOSA-N 283.371 3.560 0 40 CHAB Cc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1C(N)=O 71902689 ZJOWKARPFOEJHU-JTQLQIEISA-N 290.313 3.545 0 40 CHAB Cc1ccc2cc(C(=O)O)n(Cc3ccccc3)c2c1 71976852 FHQFITCBBOTUEH-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB CCN(CC)c1nccc2c(Br)cccc12 72206990 QWNAKMBVNSAALB-UHFFFAOYSA-N 279.181 3.844 0 40 CHAB CSc1ncccc1[C@@H]1CCCCN1CC(C)C 72216964 IKXRTGUYNPYBCK-AWEZNQCLSA-N 264.438 3.987 0 40 CHAB Cc1cc(N(C)C)ncc1[C@H]1CCCCN1CC(C)C 72218703 DUNXLKNOYOBJTA-MRXNPFEDSA-N 275.440 3.639 0 40 CHAB CNc1cc(C)c([C@H]2CCCCN2CC(C)C)cn1 72219063 CIQFVEIMCYQJQD-OAHLLOKOSA-N 261.413 3.615 0 40 CHAB Cc1cc(-c2cnc(NC3CC3)nc2-c2ccoc2C)on1 72397702 ZXCRANCZWTWVLT-UHFFFAOYSA-N 296.330 3.583 0 40 CHAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCCC2)cc1 76938605 WQZSOVMETKYZIF-JKSUJKDBSA-N 257.377 3.536 0 40 CHAB Fc1cc(NCC(F)(F)F)ccc1Br 83826567 QUWRKPABGDWAFR-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB Cc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@@H](O)CC[C@@H]3[C@@H]1CC2 85626602 YFECXKBRYLRUTI-BCDMZGRMSA-N 286.415 3.918 0 40 CHAB Clc1nc(Cl)c2c(n1)[C@H](c1ccccc1)CC2 91691397 IPFZARHKKQXZPN-VIFPVBQESA-N 265.143 3.862 0 40 CHAB COc1ccc(SCc2nnc(C(C)C)o2)cc1OC 96418758 WIPWRDAGJBUZLX-UHFFFAOYSA-N 294.376 3.503 0 40 CHAB CCn1c(C)nnc1COc1ccccc1-c1ccccc1 96496750 RSFPSDGVNLAJTA-UHFFFAOYSA-N 293.370 3.852 0 40 CHAB CC(=O)Nc1cccc(N[C@@H](C)c2cnn(C(C)C)c2)c1 97037054 YGMQUSAGFAHFSK-LBPRGKRZSA-N 286.379 3.596 0 40 CHAB C/C(=C\C(=O)NCC1(c2ccccc2)CC1)c1ccccc1 98055041 UBZHHQVGMJEGRQ-JQIJEIRASA-N 291.394 3.938 0 40 CHAB C[C@@H](NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C)c1ccccc1 100834785 YRRGAAPZEMLIFP-UPRAQXHNSA-N 299.414 3.649 0 40 CHAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102169504 RFRFDCULURPQDK-YXMPFFBPSA-N 277.795 3.895 0 40 CHAB CNCc1cc(C)n(Cc2ccccc2Cl)c1C 223663830 CHNHNKXMNGYHOV-UHFFFAOYSA-N 262.784 3.526 0 40 CHAB CC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225603525 JLODWJJIVGNPHS-INIZCTEOSA-N 279.380 3.536 0 40 CHAB CCc1ccc(C(=O)OC)n1Cc1ccc(Cl)cc1 226022577 OMYRFLNCSMIZSG-UHFFFAOYSA-N 277.751 3.539 0 40 CHAB CC(C)c1cccc(C(=O)C(F)(F)Br)c1 382674393 KFEURRQQPFTRJN-UHFFFAOYSA-N 277.108 3.980 0 40 CHAB CC(C)c1c[nH]c2ccc(C(F)(F)F)cc2c1=O 685938289 OZSODWBMERNXAH-UHFFFAOYSA-N 255.239 3.670 0 40 CHAB CCOC(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2 1574381 LUISSCWRXHYBSH-UHFFFAOYSA-N 271.291 3.965 0 40 CHAB CCc1nc([C@H](C)NC(=O)c2sccc2C)cs1 78617081 TWBPOJBRRKFCFS-VIFPVBQESA-N 280.418 3.566 0 40 CHAB Cc1ccsc1CNc1nc2ccccc2n1C 4741747 NSNZHZASFIPREF-UHFFFAOYSA-N 257.362 3.555 0 40 CHAB COC(=O)c1ccc(COc2cc(C)cc(C)c2C)cc1 12397905 BBJOZDIBNNJVGL-UHFFFAOYSA-N 284.355 3.977 0 40 CHAB Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 3035168 GEDRCOPDWFLKTQ-UHFFFAOYSA-N 269.373 3.752 0 40 CHAB in-vitro CCC(=O)c1ccc(Br)c(Br)c1 106679879 CEMZZOOVOYZOEF-UHFFFAOYSA-N 291.970 3.804 0 40 CHAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc(F)c1 1256103 MAVZZUPKSKCRLO-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB CCCCCOc1ccc(NC(=O)C(F)(F)F)cc1 1781094 DOPPOIOZRSTJRC-UHFFFAOYSA-N 275.270 3.756 0 40 CHAB Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)c(C)o1 12548897 XKPZQJUSQNNWQK-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB Cc1nn2c(O)cc(C(C)C)nc2c1-c1ccccc1 100756824 NXTFQMNPMKBHLX-UHFFFAOYSA-N 267.332 3.534 0 40 CHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)CC(C)C 20136832 YZZHTPSQDCAIMR-UHFFFAOYSA-N 287.359 3.732 0 40 CHAB C[C@H](NC(=O)NCC[C@@H](C)c1ccccc1)c1ccncc1 58289611 GPFQXOHAQXBALY-CABCVRRESA-N 297.402 3.636 0 40 CHAB Cc1n[nH]c(-c2ccccc2)c1-c1nc2ccccc2[nH]1 3212872 KLVGSFUMYVWKDT-UHFFFAOYSA-N 274.327 3.928 0 40 CHAB CC(C)c1noc(CN2CCC[C@@H]2c2ccsc2)n1 44937872 NJEKLSGSLCJBLV-GFCCVEGCSA-N 277.393 3.592 0 40 CHAB O=C(O)c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12 107280428 XLWFFEPEBQGKIQ-UHFFFAOYSA-N 299.713 3.681 0 40 CHAB CCC1CCC(N(C(=O)c2cc(C)no2)C2CC2)CC1 58701846 ICDMDYLOOBPOER-UHFFFAOYSA-N 276.380 3.556 0 40 CHAB Cc1ccc(COc2c(C)cc(CO)cc2C)cc1 20425109 RIZBSSILMZAEMW-UHFFFAOYSA-N 256.345 3.683 0 40 CHAB CCN(Cc1noc(CC(C)C)n1)Cc1ccccc1C 45915380 DSIMZBOOTAVXMO-UHFFFAOYSA-N 287.407 3.599 0 40 CHAB O=C(OCCCc1nc2ccccc2s1)c1ccoc1 59893298 WVVVSKUXJXPBCN-UHFFFAOYSA-N 287.340 3.679 0 40 CHAB C[C@H](Sc1ccc(Cl)cc1Cl)C(=O)O 11993908 XECKVRUWGDNORW-YFKPBYRVSA-N 251.134 3.559 0 40 CHAB CCn1ccs/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 408562963 SPZJQYBKSLXLIQ-ICFOKQHNSA-N 288.416 3.608 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CC=CCC1 12977145 GMMKBZJUQCOOMX-GXTWGEPZSA-N 275.417 3.940 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(F)c1 20495706 TXTFXBRCNPQASM-OAHLLOKOSA-N 287.334 3.930 0 40 CHAB Cc1ccc(OCCCOc2ccc(Cl)cc2)cn1 63863702 GJBYIGSUCBYHBI-UHFFFAOYSA-N 277.751 3.891 0 40 CHAB COc1ccc([C@H]2CN(c3ccccc3)C[C@H]2C(C)=O)cc1 4053737 YHIGONDGSZFBNC-RBUKOAKNSA-N 295.382 3.504 0 40 CHAB CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72348574 ZMQFGOAVPKGOHB-UHFFFAOYSA-N 284.378 3.621 0 40 CHAB CCC[C@H](C)NC(=O)COc1ccc2ccccc2c1 4666356 GNGBZGPEGPVQDH-ZDUSSCGKSA-N 271.360 3.523 0 40 CHAB c1ccc2c(SCc3cn4ccccc4n3)ncnc2c1 8011734 RUSBCSDTUGWUQO-UHFFFAOYSA-N 292.367 3.570 0 40 CHAB Oc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 8297595 VZPJSNMWWIGUQV-UHFFFAOYSA-N 297.335 3.911 0 40 CHAB CN1CCC[C@H](CSc2nnc(C3CCCCC3)o2)C1 71886128 MUDHWSTUTDHBPA-LBPRGKRZSA-N 295.452 3.551 0 40 CHAB CCc1cc(N)cc2nc(-c3cccc(OC)c3)oc12 62540721 JPDJERQOXLZXNG-UHFFFAOYSA-N 268.316 3.648 0 40 CHAB CC(C)CC(=O)Nc1ccc2[nH]c(C(C)C)nc2c1 74985536 IRAVZFLOEYJPHF-UHFFFAOYSA-N 259.353 3.671 0 40 CHAB Cc1ccc(-c2nnc(SC(=O)c3ccccc3)o2)cc1 408599637 INVAJNXFWBXEPB-UHFFFAOYSA-N 296.351 3.978 0 40 CHAB COc1cccc(SCC(=O)c2ccccc2)c1 34552623 GANNMCDACNUVDQ-UHFFFAOYSA-N 258.342 3.670 0 40 CHAB COc1ncc(-c2ccccc2)cc1C(F)(F)F 47211988 ZUSDMHFKGNQTBI-UHFFFAOYSA-N 253.223 3.776 0 40 CHAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(N)=S 45886958 KCDBYIXMVZZTOV-UHFFFAOYSA-N 299.424 3.927 0 40 CHAB COCc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OC 224395419 RFWMNCDFFLINRT-UHFFFAOYSA-N 299.370 3.711 0 40 CHAB CCCc1nc(Cl)c(I)cc1C 225738992 VDQGANDIOHRTFY-UHFFFAOYSA-N 295.551 3.601 0 40 CHAB CC(C)c1ccc(N(C)C(=O)c2cscn2)cc1 89893411 YAJCKZKRENEIGK-UHFFFAOYSA-N 260.362 3.543 0 40 CHAB Cc1ccc(CN(C)C(=O)CCc2ccccc2F)cc1 47530378 RMSVFIBMMVMURZ-UHFFFAOYSA-N 285.362 3.725 0 40 CHAB O=Cc1c[nH]c2c(COCc3ccccc3)cccc12 89203512 MTOISQKFJKXWST-UHFFFAOYSA-N 265.312 3.697 0 40 CHAB O=C(Nc1ccccc1)N1CCC(Oc2ccccc2)CC1 49706055 SRQMNTGTLWEERU-UHFFFAOYSA-N 296.370 3.762 0 40 CHAB CC(C)CN1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 96215263 DTEUEBSEHFELKS-KRWDZBQOSA-N 292.492 3.692 0 40 CHAB Cc1nnc([C@@H](C)N[C@H](CC(C)C)c2cccs2)o1 97373833 HKHBWAMOBRROTD-ZYHUDNBSSA-N 279.409 3.878 0 40 CHAB O[C@H](CCC1OCCCO1)c1ccc(Cl)c(Cl)c1 95728444 MAXBDUANUPXMJZ-GFCCVEGCSA-N 291.174 3.570 0 40 CHAB CCC[C@H]1CC[C@H](OB(O)C2=CCCCC2)CC1 250657044 OGNIHQFHKBPKDW-CTYIDZIISA-N 250.191 3.882 0 40 CHAB CCc1ccc(C(=O)Nc2cccc(NC(C)=O)c2C)cc1 32753704 CHERFZHJBUUMTA-UHFFFAOYSA-N 296.370 3.768 0 40 CHAB O=C(Nc1ccccc1)c1nc2ccccc2s1 479753 YBBITEUFVRDJFO-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB CC(C)c1cccc(NC(=O)OCC(F)(F)F)c1 32628824 WBOULLDTXBVJEJ-UHFFFAOYSA-N 261.243 3.921 0 40 CHAB in-vitro Cc1ccc(C)c(O[C@H](C)C(=O)NC2CCCCCC2)c1 13710524 SYAWJHNOGCLDTB-OAHLLOKOSA-N 289.419 3.910 0 40 CHAB Cc1ccc(-n2ncc3c2C[C@H](c2ccco2)CC3=O)cc1 17022859 GYDJEOSFHZIRTK-ZDUSSCGKSA-N 292.338 3.686 0 40 CHAB COc1ccc(N)cc1NC(=O)c1ccc(C(C)C)cc1 19413082 KZIMODRZHNIKHO-UHFFFAOYSA-N 284.359 3.653 0 40 CHAB O=C1c2cc3ccccc3cc2C(=O)N1Cc1ccccc1 205542751 VFKBPMUWVHQQJM-UHFFFAOYSA-N 287.318 3.636 0 40 CHAB CCCCN(CCCC)[C@@H]1OC(=O)c2ccccc21 33374230 AWRPIBMTXCXNRN-OAHLLOKOSA-N 261.365 3.758 0 40 CHAB COC(C[C@H](C)Nc1ccnc2cc(Cl)ccc12)OC 1725992 ABOUSTDQNQDYKK-JTQLQIEISA-N 294.782 3.698 0 40 CHAB Cc1ccc2oc(C(=O)Nc3cc(F)ccc3F)cc2n1 8798685 QXHDNEFARNKDCP-UHFFFAOYSA-N 288.253 3.667 0 40 CHAB O=C(Nc1cccnc1)c1csc(Nc2ccccc2)n1 35596729 FMZWMYNAGNQBLO-UHFFFAOYSA-N 296.355 3.534 0 40 CHAB Cc1cc(CN2CCC(Cc3ccc(F)cc3)CC2)no1 20166461 BEUQJLLEJGZPEQ-UHFFFAOYSA-N 288.366 3.577 0 40 CHAB Brc1cncc(-c2nc3ccccc3o2)c1 30831900 NCMWYKJHPFRWOY-UHFFFAOYSA-N 275.105 3.652 0 40 CHAB in-vitro CC(C)c1cc(C(=O)O)c2cc(Br)ccc2n1 205363 QUBDAOYYNVYIBJ-UHFFFAOYSA-N 294.148 3.819 0 40 CHAB CCSc1nnc(NC(=O)c2ccccc2Cl)s1 361874 MBNWTCCISMXXML-UHFFFAOYSA-N 299.808 3.556 0 40 CHAB CCCCOc1ccc(C(=O)Nc2ccc(C)cn2)cc1 32721952 HDOBEOKMLFHLLE-UHFFFAOYSA-N 284.359 3.821 0 40 CHAB Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1C 21796310 VHFDPBGVZSXEDF-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB CC(=O)CC(=O)Oc1c(Cl)cc(Cl)cc1Cl 57538 SFXGTKMFWDFCLU-UHFFFAOYSA-N 281.522 3.531 0 40 CHAB Clc1ccc(C2=CSC3=NCCN23)cc1Cl 189113 GHYNKNDPIZBWPJ-UHFFFAOYSA-N 271.172 3.710 0 40 CHAB FC(F)(F)c1cccc([C@@H]2CNC3(CCCC3)CO2)c1 53068179 CKFGMBPAJAMQJI-ZDUSSCGKSA-N 285.309 3.679 0 40 CHAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 2801301 FXJCUACVDRNNMQ-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB Cc1cc2c(cc1C(=O)c1ccccc1C(=O)O)CCCC2 1571098 BKIOAOJEWJMUDA-UHFFFAOYSA-N 294.350 3.803 0 40 CHAB Cc1ccc(C(=O)O[C@H](C)CN2[C@H](C)CCC[C@H]2C)cc1 103731953 VMMIODCQIXEPNU-BZUAXINKSA-N 289.419 3.803 0 40 CHAB Cc1ccc(C2=N/C(=C\c3cccc(C)c3)C(=O)O2)cc1 4714077 GZVCQSIONMOZGS-WJDWOHSUSA-N 277.323 3.648 0 40 CHAB Cc1ccc(NC(=S)NCCC(C)C)cc1C 7526389 OFHWLCMACQDVDY-UHFFFAOYSA-N 250.411 3.636 0 40 CHAB Cc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1 1390285 DXNCAHDHRPSVKE-UHFFFAOYSA-N 286.338 3.791 0 40 CHAB CCNC(=O)N1c2cc3c(cc2C(C)=CC1(C)C)CCC3 9938101 ZZZSIRWOLDPSCB-UHFFFAOYSA-N 284.403 3.907 0 40 CHAB CCN(C(=O)c1ccco1)c1nc2ccccc2s1 25593895 YLMHWIOYIMSBPV-UHFFFAOYSA-N 272.329 3.556 0 40 CHAB CC(C)=CC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 3248377 PBZRSHUMDLUCGN-UHFFFAOYSA-N 287.142 3.686 0 40 CHAB CCCCCC[C@@H](C)NC(=O)Nc1nccs1 43644437 GJMHBHGWNFPPDL-SNVBAGLBSA-N 255.387 3.624 0 40 CHAB Cc1ccc(NC(=S)Nc2ccccc2CO)cc1C 3295278 BOXZIVVDRDZJHD-UHFFFAOYSA-N 286.400 3.605 0 40 CHAB COc1ccc(CC(=O)c2c[nH]c3ccc(F)cc23)cc1 111683114 SJGVUDJUDRCLEI-UHFFFAOYSA-N 283.302 3.741 0 40 CHAB O=c1cc(-c2cccc(Cl)c2)nc(Nc2ccccc2)[nH]1 20798231 CZHDBZKAHNCBCW-UHFFFAOYSA-N 297.745 3.834 0 40 CHAB O=C(O)[C@H](Cc1ccccc1)c1ccc(Cl)cc1 2036201 CUMMKZITYCLISM-CQSZACIVSA-N 260.720 3.751 0 40 CHAB S=C(Nc1ccccc1)NC12C[C@H]3CC1C[C@@H](C3)C2 113559955 XHJUEBJSTXGGMN-LFOFOYIVSA-N 272.417 3.552 0 40 CHAB CC(C)c1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1 45528956 XYZKFIXBQCTDQZ-GZTJUZNOSA-N 291.350 3.621 0 40 CHAB CCCCCn1c(S)nnc1COc1cccc(C)c1 11692636 OIRCJZSAJHMEIR-UHFFFAOYSA-N 291.420 3.644 0 40 CHAB O=C1NCCN1c1cccc(NC2CCCCCCC2)c1 37001906 KTVIPYDSTZURBO-UHFFFAOYSA-N 287.407 3.741 0 40 CHAB O=C(Nc1ccccc1CO)c1ccc2ccccc2c1 8714269 IZWPFPIWOBWSRD-UHFFFAOYSA-N 277.323 3.584 0 40 CHAB CCOC(=O)c1sc(Nc2ccccc2F)nc1C 4290633 CTIZRSLWGGOXKY-UHFFFAOYSA-N 280.324 3.511 0 40 CHAB COc1ccc([C@@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1 20460035 OJUQSGVODSKIBI-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cc1Cl 9256765 UREPBCPIYMUZLV-UHFFFAOYSA-N 299.157 3.779 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 15554671 DGMPOQPBSJJMFW-BBRMVZONSA-N 295.386 3.583 0 40 CHAB O=Cc1c(Cl)nc(Cl)n1-c1ccc(Cl)cc1 69982185 QXDOWINVZRTFIG-UHFFFAOYSA-N 275.522 3.645 0 40 CHAB C[C@@H](NCc1ccc(CO)o1)c1ccc2c(c1)CCCC2 71915085 BXNHFDPJALZNFU-CYBMUJFWSA-N 285.387 3.502 0 40 CHAB OCc1ccncc1NCc1ccc(SC(F)F)cc1 97081265 DQMDACMYFVUKFA-UHFFFAOYSA-N 296.342 3.501 0 40 CHAB Cc1ccc(NC(=O)NC(=S)c2ccccc2)cc1C 408733484 YGEMFZMNWOOHFG-UHFFFAOYSA-N 284.384 3.801 0 40 CHAB O=[S@@](Cc1cc(-c2cccs2)on1)c1cccs1 95971750 CEINATHHHLTFTA-GOSISDBHSA-N 295.410 3.772 0 40 CHAB O=C(c1ccncc1)N1CC2(CCCC2)c2ccccc21 74910743 RULXNZMWNMCFGV-UHFFFAOYSA-N 278.355 3.554 0 40 CHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCC(C)CC2)c1 20453410 JAIPXEGHFSLNGX-MRXNPFEDSA-N 289.419 3.638 0 40 CHAB COc1ccc2[nH]cc(C(=O)Cc3ccccc3)c2c1 37364251 KIQTTZFTCILCPA-UHFFFAOYSA-N 265.312 3.602 0 40 CHAB COc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1 37358401 IDGRRJWQDJEWGN-UHFFFAOYSA-N 280.245 3.945 0 40 CHAB CCCC[C@@H](NC)c1ccc(Br)cc1 35462434 LQUFRKDVBOIIBV-GFCCVEGCSA-N 256.187 3.900 0 40 CHAB C[C@@H](c1ccccc1F)[S@@](=O)Cc1ccccc1F 78556009 DNIVAAJVHYLDPB-JEOXALJRSA-N 280.339 3.975 0 40 CHAB Cc1c(F)cccc1NC(=O)c1cc(F)ccc1F 73393434 ZLRQZJWFXZHXIT-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB COc1ccc(N(C(=O)c2cccs2)C(C)C)cc1F 79338288 DNWKRQAMXIHWDX-UHFFFAOYSA-N 293.363 3.951 0 40 CHAB c1ccc(Sc2ncccc2C2=NCCC2)cc1 72217642 PNHVEBAJHOXHPM-UHFFFAOYSA-N 254.358 3.816 0 40 CHAB Cc1c(CO)c2ccccc2n1C(=O)c1cccc(Cl)c1 216953420 USXFMJRMVYCDTK-UHFFFAOYSA-N 299.757 3.784 0 40 CHAB CCCCN1CCCC[C@@H]1c1cnc(N(C)C)c(C)c1 72218644 GZMAHCLHTLWKCQ-MRXNPFEDSA-N 275.440 3.783 0 40 CHAB CCN(C)c1ncccc1[C@H]1CCCN1Cc1ccccc1 72212766 TXDISWLOLSHQDY-GOSISDBHSA-N 295.430 3.875 0 40 CHAB CSc1nc(S)c2oc(-c3ccc(C)cc3)nc2n1 41155010 KRYHVVGJXQKCIX-UHFFFAOYSA-N 289.385 3.604 0 40 CHAB CC[C@@H](NC(=S)Nc1ccncc1)c1ccc(C)cc1 225486519 ARSFYSRUGZGIFA-OAHLLOKOSA-N 285.416 3.828 0 40 CHAB C[C@@H](CNc1cccc(C[S@](C)=O)c1)c1ccccc1 194158348 XTUXQCOKLLBHJP-XOBRGWDASA-N 287.428 3.781 0 40 CHAB COC(=O)[C@H](C)N1c2ccc(C)cc2C(C)=CC1(C)C 223192358 CNYFJOWNDOXXKW-ZDUSSCGKSA-N 273.376 3.558 0 40 CHAB C[S@](=O)Cc1ccc(Cl)c(NCCCCCF)c1 225433117 BICZPNHBUQSWIV-SFHVURJKSA-N 291.819 3.770 0 40 CHAB CC(C)C(=O)Nc1cc(N2CCCCC2)c(N)cc1Cl 45891795 NKWXCAAPIGZOGF-UHFFFAOYSA-N 295.814 3.507 0 40 CHAB CC(C)C(=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96114464 VSAWGSGADATSMJ-ZDUSSCGKSA-N 290.794 3.971 0 40 CHAB biogenic O=Cc1ccc(COc2ccc(OC(F)(F)F)cc2)cc1 95740103 AOTUBPACLXQDON-UHFFFAOYSA-N 296.244 3.977 0 40 CHAB CC(C)n1c2ccccc2c2c1cc(C(=O)NC1CC1)n2C 96146396 OBHDWWMDBTYQIY-UHFFFAOYSA-N 295.386 3.606 0 40 CHAB C[C@H](OC(=O)c1ncoc1[C@@H]1CCCO1)C1CCCCC1 96407073 AEMSRZPNHQPWKY-AAEUAGOBSA-N 293.363 3.652 0 40 CHAB O=C(Nc1cccc2cccnc12)c1c[nH]c2ccccc12 24765003 ALFAMYIOPJYOLT-UHFFFAOYSA-N 287.322 3.968 0 40 CHAB O=C(CCc1ccccc1)c1cc(F)c(F)cc1F 389030272 JJQSBZJEXBZWJV-UHFFFAOYSA-N 264.246 3.919 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ncoc1-c1cccs1 12239813 KNKTVEORODSLJB-MNOVXSKESA-N 290.388 3.712 0 40 CHAB O=C(Nc1ncccc1O)c1ccc(-c2ccccc2)cc1 12644874 KSSIEWQKURXCBN-UHFFFAOYSA-N 290.322 3.707 0 40 CHAB Cc1ccc([C@H](C(=O)O)c2ccc(Cl)cc2)cc1 19675604 OPUMJIWTLRPCCA-AWEZNQCLSA-N 260.720 3.865 0 40 CHAB CCOc1ccc(-c2cn3ccc(C)cc3n2)cc1 151532 MNRZINGKMJIFAW-UHFFFAOYSA-N 252.317 3.708 0 40 CHAB FC(F)(F)c1cc(C2CCN(C3CCCC3)CC2)[nH]n1 2037836207 SPSNHPTUTQQFLE-UHFFFAOYSA-N 287.329 3.551 0 40 CHAB Cc1occc1C(=O)Nc1ccc(Br)cc1 173460 POXZWQNMCKOVFN-UHFFFAOYSA-N 280.121 3.603 0 40 CHAB CCOC(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9134827 QCDPVMUOKBFDDS-UHFFFAOYSA-N 298.298 3.613 0 40 CHAB C[C@@H]1CCC[C@H](NC[C@H](O)c2ccccc2Cl)[C@@H]1C 37881889 VDNRMPVWQZFACV-MPTQWLOMSA-N 281.827 3.788 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)Cc1ccco1 40094058 DDGHUNDYEOQKFB-JTQLQIEISA-N 292.404 3.529 0 40 CHAB Fc1ccc(-c2ccn3c(n2)nc2ccccc23)cc1 20746171 VWCKGJDSDOUZLS-UHFFFAOYSA-N 263.275 3.689 0 40 CHAB c1csc(-c2nc(Nc3cn[nH]c3)c3ccccc3n2)c1 30587614 FTOIHPKMRCKBLS-UHFFFAOYSA-N 293.355 3.825 0 40 CHAB CCSc1nc2ccccc2c(=O)n1-c1ccccc1C 258484 GJCKNKYMGGSYEF-UHFFFAOYSA-N 296.395 3.806 0 40 CHAB O=C(C[C@H]1C(=O)Nc2ccccc21)c1cc2ccccc2o1 101483986 KNTZTJBDAGCIFZ-CYBMUJFWSA-N 291.306 3.742 0 40 CHAB Cc1noc(C)c1CN(C)[C@H](C)c1cc(F)ccc1F 52075237 YTDHHXAFSRQOMF-SNVBAGLBSA-N 280.318 3.763 0 40 CHAB CON(C)C(=O)c1ccccc1Nc1cccc(C)c1C 32978642 PRGNJTVGPBXTQZ-UHFFFAOYSA-N 284.359 3.680 0 40 CHAB c1ccc2c(c1)N[C@@H](c1ccc3c(c1)OCO3)S2 113185 SKIHWBCOUBHKRA-CQSZACIVSA-N 257.314 3.632 0 40 CHAB O=C(O)c1ccc(COc2ccc3ccccc3c2)o1 133427 TZZKTURKDLWLQM-UHFFFAOYSA-N 268.268 3.710 0 40 CHAB Fc1cccc([C@@H]2NN=C(c3ccccc3)S2)c1 342208 NLPVJXFOKCOJJY-CQSZACIVSA-N 258.321 3.523 0 40 CHAB COC(=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C 1601892 NBPBBVXQHRAZJA-UHFFFAOYSA-N 282.339 3.629 0 40 CHAB CC(=O)Nc1cc(F)c2c(c1F)Cc1cc(F)ccc1-2 1609842 MHJUQZJIKPVTPD-UHFFFAOYSA-N 277.245 3.634 0 40 CHAB CC(OCCc1ccccc1)OCCc1ccccc1 2508117 JBMMTNRBVCXMHJ-UHFFFAOYSA-N 270.372 3.851 0 40 CHAB O=C(CCC1OCCCO1)c1ccc(Cl)cc1Cl 2581263 MYKSNJIXSWYGFB-UHFFFAOYSA-N 289.158 3.719 0 40 CHAB CCCCCCNC(=S)N1[C@@H](C)CCC[C@@H]1C 6264048 IKRWSBXPDGJIMJ-STQMWFEESA-N 256.459 3.704 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccc(F)cc2)c(C)c1 6486855 XDAAQGCSIGKMKP-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB C[C@@H]1CCC[C@H](NC(=S)Nc2ccc(F)cc2)[C@@H]1C 6795000 HDVXYNKRVGGROH-GYSYKLTISA-N 280.412 3.937 0 40 CHAB CC[C@@H](NC(=O)c1ccccc1F)c1ccc(OC)cc1 7037393 ZEOBRUBMKZLWTG-MRXNPFEDSA-N 287.334 3.715 0 40 CHAB CCSc1nnc(COc2ccc(Cl)cc2C)o1 7605416 JWTDNGYGZHQPMV-UHFFFAOYSA-N 284.768 3.722 0 40 CHAB Cc1ccc(C)c(-c2nc(N3CCOCC3)sc2C)c1 57460948 NRLFZNRCERKUFG-UHFFFAOYSA-N 288.416 3.572 0 40 CHAB O=C1C[C@H](c2ccccc2)Cc2c1cnn2-c1ccccc1 8570255 YOFWFRZIXXSMFI-OAHLLOKOSA-N 288.350 3.785 0 40 CHAB CC(C)CCCNC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21 62097852 XHDJVOMQLIUQON-UKRRQHHQSA-N 274.408 3.527 0 40 CHAB Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2ccccn2)c1 55514623 NTHDNQHJWJIRHN-KRWDZBQOSA-N 280.371 3.676 0 40 CHAB Clc1ccc(OCc2ccc(-c3nnco3)cc2)cc1 3256283 PNQCJNXTEZZDEC-UHFFFAOYSA-N 286.718 3.969 0 40 CHAB S=c1[nH]c2ccccc2n1-c1nc2ccccc2[nH]1 26472858 NMBPCOFHJSUBLX-UHFFFAOYSA-N 266.329 3.564 0 40 CHAB CCOc1ccc(C(C)=O)cc1Cn1cnc2ccccc21 12631735 PSRFKRJBHRIBOR-UHFFFAOYSA-N 294.354 3.686 0 40 CHAB COC1(OC)[C@@H]2C=C[C@@H]1[C@H]1[C@@H]3CC[C@H](c4ccccc43)[C@@H]12 101044641 TXQRANBDSQOWKX-TYENPDHQSA-N 282.383 3.699 0 40 CHAB Cc1cc([C@@H](C)NC(=O)c2c(F)cccc2F)c(C)o1 58210207 MVTYMGQOPZWYCC-SECBINFHSA-N 279.286 3.666 0 40 CHAB Clc1ccc(-c2csc(C3CCNCC3)n2)cc1 11632085 CMAURUWXPKFGBL-UHFFFAOYSA-N 278.808 3.931 0 40 CHAB COc1ccc(CCC(=O)c2cccc(F)c2)cc1 2516559 LNIMVWWAGXLCPR-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB Cc1nc2cc(NC(=O)[C@]3(C)CC3(Cl)Cl)ccc2o1 29796158 UBLFUUQFGFHYNI-LBPRGKRZSA-N 299.157 3.659 0 40 CHAB O=C(Nc1ccccc1)c1cc2c(s1)CCCC2 3480906 AGRINEXKBLMBHE-UHFFFAOYSA-N 257.358 3.879 0 40 CHAB CC(C)Oc1ccccc1C(=O)Nc1ccc(F)cc1 8722998 IHLMZKPCRHETDM-UHFFFAOYSA-N 273.307 3.865 0 40 CHAB Cc1cc(C)c2nc(C)c(CN3CCCCC3)c(O)c2c1 8713990 VYQXTJSKIDSRNZ-UHFFFAOYSA-N 284.403 3.852 0 40 CHAB C[C@H](NC(=O)c1ccsc1)c1ccc(OC(F)F)cc1 12927847 MAOFEXZPBHBIOK-VIFPVBQESA-N 297.326 3.841 0 40 CHAB Cc1ccc(NC(=O)c2cccc3cccnc23)cc1F 19173845 TYKLEAABUSNOCZ-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB Cc1nc(CN2CCC[C@H]2c2cccc(N(C)C)c2)oc1C 75838560 CPGGWOZPNQXDEW-KRWDZBQOSA-N 299.418 3.695 0 40 CHAB Cc1ccc(C)c(NC(=O)CCc2cccs2)c1 4540156 KSXZHVMMQLFSNH-UHFFFAOYSA-N 259.374 3.936 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=S)Nc1cccc(F)c1 7558644 KYVXLZGKGLCEAG-ZWNOBZJWSA-N 266.385 3.691 0 40 CHAB CC(C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)O 72233675 QLTYCOLKLOGRSB-QWHCGFSZSA-N 299.411 3.523 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCCC[C@@H]1c1nccs1 72272076 PTGUTCQEAUJJFZ-QWHCGFSZSA-N 276.405 3.553 0 40 CHAB Cc1ccc(NC(=O)c2ccc3nnsc3c2)c(C)c1 67320976 OHOKKEABEDCWIU-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB CCO[C@@H](C)c1nccn1Cc1csc(C(C)C)n1 89521751 ZGKLNDGBLFFCAV-NSHDSACASA-N 279.409 3.609 0 40 CHAB CCCNC(=O)N1CCC[C@H]1c1ccccc1Cl 36621028 PRZAEIRWRSGPPW-ZDUSSCGKSA-N 266.772 3.597 0 40 CHAB Cc1ccc(F)cc1C(=O)c1cc(F)ccc1F 55242916 QZOHGAQBHYWHTM-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Cc1nc(N2CCCCCC2)ccc1[C@H](O)c1ccccc1 72224575 HISZIDVUYJQXOK-LJQANCHMSA-N 296.414 3.852 0 40 CHAB Cc1ccc(C)c(N[C@@H](C(=O)N(C)C)c2ccccc2)c1 39982325 ALTGNVOLQGBZSX-QGZVFWFLSA-N 282.387 3.545 0 40 CHAB COc1ccc(Cc2nc3ccc(C)cc3o2)cc1OC 228947014 RPUGBGDOFPPZCB-UHFFFAOYSA-N 283.327 3.744 0 40 CHAB COc1ccc(CCC(=O)N(C)Cc2ccc(C)cc2)cc1 45675811 NHFOIGAOEQLPBB-UHFFFAOYSA-N 297.398 3.595 0 40 CHAB Cc1ccc(-c2nc(-c3ccc(N)c(C)c3)no2)cc1 225173662 XDIGSPWSENSAKH-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CCOc1c(Cl)cc(C(C)(C)C)cc1C(=O)O 225283275 VKCUSRUWZBYASI-UHFFFAOYSA-N 256.729 3.734 0 40 CHAB COc1cccc2c1N(C(C)(C)C(=O)O)C(C)(C)C[C@H]2C 260619538 NKFZOYWVYDILIL-LLVKDONJSA-N 291.391 3.651 0 40 CHAB COc1cc(C)c(C(=O)COCc2ccccc2)cc1C 394568398 NOVPJKKJPIBJDQ-UHFFFAOYSA-N 284.355 3.712 0 40 CHAB CN(C)c1[nH]c2cc(Br)ccc2c1C(F)F 575629192 MFSGKLFOMIYBCK-UHFFFAOYSA-N 289.123 3.934 0 40 CHAB C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1 27339389 MCNLQIOUMCLBAX-SECBINFHSA-N 295.169 3.879 0 40 CHAB CC(C)Oc1ccc([C@@H](C)NCc2cccc(CO)c2)cc1 95967745 ANNWNAUGPYXHRA-OAHLLOKOSA-N 299.414 3.817 0 40 CHAB FC(F)(F)[C@]1(c2cccc(Br)c2)CCO1 1772820948 HZBOSEFYLJPMFF-SECBINFHSA-N 281.071 3.627 0 40 CHAB CC[C@H](C)NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14401561 DVOXUELZQISOBJ-RYUDHWBXSA-N 283.799 3.639 0 40 CHAB COc1ccc(/C=C2\CCN=C2c2ccccc2)cc1OC 1582348 KJXPHAUZUTVYKK-FOWTUZBSSA-N 293.366 3.980 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccccc1 32915354 HXRFGQFZACCUOW-KBMXLJTQSA-N 259.393 3.877 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1 1775975431 HCOHHCJZOOTCGQ-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB CC[C@]1(C)Oc2ccc(NC(=O)c3cccs3)cc2O1 8783342 QBYYLVATXZOJGV-OAHLLOKOSA-N 289.356 3.898 0 40 CHAB Fc1ccc(CNc2ccc(C(F)(F)F)cn2)c(F)c1 50197793 GAKKIWRDSNLPMF-UHFFFAOYSA-N 288.219 3.991 0 40 CHAB CO[C@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 20149802 KEEBMZSFKIZDEV-KUHUBIRLSA-N 295.382 3.809 0 40 CHAB O=C(Nc1cccnc1)Nc1cccc2ccccc12 146742 ZMASKTGREJYMTR-UHFFFAOYSA-N 263.300 3.879 0 40 CHAB COc1ccc2oc(=O)c(-c3nc4ccccc4o3)cc2c1 193157 SWJHDCRRCWPBSX-UHFFFAOYSA-N 293.278 3.610 0 40 CHAB Cc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1 578024 OHBFCONSZJEOHQ-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB CCOc1ccccc1NC(=O)/C=C/c1ccccc1 1903859 ZUGIHGCVLHPREZ-OUKQBFOZSA-N 267.328 3.737 0 40 CHAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 3608531 LNWBNYDTKODOQT-QGZVFWFLSA-N 283.346 3.562 0 40 CHAB COc1ccc(C(=O)CCC(=O)c2ccccc2)cc1 4342754 ZNZJJYOOOWCSFW-UHFFFAOYSA-N 268.312 3.541 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 23444640 CUKUTDCKXRFSKO-CVEARBPZSA-N 297.398 3.682 0 40 CHAB S=C(Nc1cccc2cnccc12)N[C@H]1C[C@H]2CC[C@H]1C2 105700578 DGFZRCSOVRKKQM-MKBNYLNASA-N 297.427 3.710 0 40 CHAB CCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)OCC)cc1 47948059 ZOODQUGORRDWPX-LLVKDONJSA-N 293.367 3.565 0 40 CHAB Cc1cccc(C[S@](=O)Cc2ccccc2C)c1 58168114 XGRJFKCHCHLZNK-GOSISDBHSA-N 258.386 3.752 0 40 CHAB Cc1ccccc1-n1nc(-c2ccc(F)cc2)cc1O 10157397 JGHQFUJYUZCOSA-UHFFFAOYSA-N 268.291 3.692 0 40 CHAB O=C(c1cc(Cl)ccn1)N1CCC[C@@H]1c1ccsc1 37990761 XMVNVMWGBUYJQW-CYBMUJFWSA-N 292.791 3.774 0 40 CHAB Cc1cc(N(C)C)ccc1NC(=O)NC1CCCCCC1 46031010 GHUDKFCMVCRQPJ-UHFFFAOYSA-N 289.423 3.905 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1Cc1ccccc1 3430451 OSRMXWWRQQNAAP-CJNGLKHVSA-N 265.356 3.872 0 40 CHAB Cc1cc(NC(=O)CCS[C@H](C)c2ccccc2)no1 12919280 NSBWNRPACHQBLY-GFCCVEGCSA-N 290.388 3.806 0 40 CHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccs1 6372799 CVHKZXJBOSTFAG-UHFFFAOYSA-N 287.262 3.899 0 40 CHAB SC1=NC2(CCCCC2)N=C1c1cccs1 67172543 WSSJKVINIKLTKZ-UHFFFAOYSA-N 250.392 3.540 0 40 CHAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCC1CC1 27467540 TYDIRVWMEZSTDT-ONEGZZNKSA-N 270.159 3.533 0 40 CHAB Cc1cc(C)c2c(c1)Cc1ccc(Cl)cc1S2(=O)=O 18194648 HTJUYSSKIKSFCI-UHFFFAOYSA-N 292.787 3.694 0 40 CHAB Cc1cccc(C(=O)Nc2cncc3ccccc23)c1 89627845 MYSVEZQSGBMZFI-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB c1ccn2c(OCCC34CC5CC(CC(C5)C3)C4)nnc2c1 89878875 JIUFODFFDDHHSV-UHFFFAOYSA-N 297.402 3.715 0 40 CHAB Cc1ccc(CN(CCN(C)C)Cc2cccs2)s1 23247846 JEGOGINYVDHQDE-UHFFFAOYSA-N 294.489 3.682 0 40 CHAB CCCC(=O)NC[C@H](c1ccccc1Cl)N(CC)CC 27579671 VZJFZEVHRHUEBT-OAHLLOKOSA-N 296.842 3.639 0 40 CHAB Cc1ccc(CC2(O)CCN(Cc3ccccc3)CC2)cc1 39049563 BHQHJYOITIKYQO-UHFFFAOYSA-N 295.426 3.565 0 40 CHAB CCn1nc(C)c([C@@H](C)Nc2ccc3cc[nH]c3n2)c1C 72433500 CXAVILYWGUIIGC-SNVBAGLBSA-N 283.379 3.569 0 40 CHAB COCCCNCc1cccn1-c1cccc(Cl)c1C 223685806 GGGBYJOOZUJRRF-UHFFFAOYSA-N 292.810 3.565 0 40 CHAB CC[C@H](C(=O)O)N1c2c(OC)cccc2C(C)=CC1(C)C 223197283 XPDYDDQDQFJTNC-CYBMUJFWSA-N 289.375 3.560 0 40 CHAB O=C(O)c1ncc(-c2ccccc2F)cc1C(F)(F)F 47205274 YTHSUBZLQHKMPY-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB CCCOc1ccc2c(c1)c(CNC)c(C)n2CCC 223759838 GTWNUFIUPORYLB-UHFFFAOYSA-N 274.408 3.868 0 40 CHAB Cc1cccc(C(=O)Nc2ncc(Cl)cc2Cl)c1 89228963 NUVMEJQRNCXSQE-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB CC(C)NCc1ccc(OCCC(F)(F)F)cc1 80936585 CRKIOPNTJZQNOS-UHFFFAOYSA-N 261.287 3.516 0 40 CHAB Oc1c(Cl)ccc(Br)c1Br 675082845 PNVJSJBCKJWTGI-UHFFFAOYSA-N 286.350 3.571 0 40 CHAB CCCc1ccc(C(=O)N2CCC(F)(F)CC2)cc1 684519679 DAPPFXPTGWNZDQ-UHFFFAOYSA-N 267.319 3.510 0 40 CHAB Fc1ccccc1CCNC/C=C/c1ccccc1 16450934 OTTBIUDFROICNX-RMKNXTFCSA-N 255.336 3.671 0 40 CHAB CCOc1ccc(C[C@@H]2C(=O)N(CC)c3ccccc32)cc1 15018173 NVTNHGOONGBKHZ-KRWDZBQOSA-N 295.382 3.778 0 40 CHAB Cc1cc([C@H]2CCCCCN2Cc2cccc(O)c2)no1 19119426 HPBOQKLELFYTQU-QGZVFWFLSA-N 286.375 3.806 0 40 CHAB COC(=O)CCCCC(=O)c1ccc2ccccc2c1 166719321 NLCURHHYFZZSJO-UHFFFAOYSA-N 270.328 3.756 0 40 CHAB Cc1ccc(SC(=O)c2cc(C)nc(Cl)n2)cc1 2557676 PCJWILMBKUMLOB-UHFFFAOYSA-N 278.764 3.679 0 40 CHAB Cc1cc(C)cc(Oc2cccc([C@@H]3CCCN3)n2)c1 2037873502 QQPSLJAHWQSTME-HNNXBMFYSA-N 268.360 3.915 0 40 CHAB CCOc1ccc2nc(N3CCCCC3)sc2c1 216223 OOXVYCCRFBRMTP-UHFFFAOYSA-N 262.378 3.685 0 40 CHAB O=C(Nc1c[nH]c2ccccc12)N1CCc2ccccc21 5299922 ONWMCMJWLCUGND-UHFFFAOYSA-N 277.327 3.763 0 40 CHAB Cc1ccc(-c2cc(C(=O)NC(C3CC3)C3CC3)on2)cc1 40088124 UHCVIXQTUFGRCS-UHFFFAOYSA-N 296.370 3.568 0 40 CHAB CC[C@H]1CCCCN1C(=O)Nc1cc(F)ccc1C 40097800 LDPNJZWYSGRFCS-ZDUSSCGKSA-N 264.344 3.931 0 40 CHAB Cc1ccccc1Cc1cnc(NC(=O)c2ccoc2)s1 40111740 QZQZGQQVCLGBDO-UHFFFAOYSA-N 298.367 3.888 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 31245418 REDQWFANSZHEKR-NHYWBVRUSA-N 259.349 3.603 0 40 CHAB O=C1CS[C@@H](c2ccc(F)cc2)N1c1cccc(F)c1 179963 WXQPNOYOMPYROU-HNNXBMFYSA-N 291.322 3.743 0 40 CHAB Cc1ccccc1NC(=O)Cc1csc(C(C)C)n1 32478473 SSDYVMUDPXDMBE-UHFFFAOYSA-N 274.389 3.756 0 40 CHAB CN(Cc1cccs1)C(=O)NCCCc1ccccc1 32843775 ANFDTDZSVLAARR-UHFFFAOYSA-N 288.416 3.522 0 40 CHAB C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 478178 XFSAQXHAIMAZTD-CYBMUJFWSA-N 255.317 3.674 0 40 CHAB C/C=C/C=C/C(=O)Nc1cccc(-c2ccnc(C)n2)c1 33123933 SOKBCMDYILNJBA-PRKJJMSOSA-N 279.343 3.523 0 40 CHAB C[C@H](c1ccccc1)N1C(=O)c2ccc(Cl)cc2C1=O 344620 SIMMMMCKUBTESI-SNVBAGLBSA-N 285.730 3.697 0 40 CHAB COc1ccccc1C(=O)Nc1cccc(SC)c1 479512 FSYCJSNIVFMMGC-UHFFFAOYSA-N 273.357 3.669 0 40 CHAB Cc1ccc(CSc2nnc(-c3ccco3)n2C)cc1 532660 MVTDGZKGMSOSGA-UHFFFAOYSA-N 285.372 3.676 0 40 CHAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc(C)c1 574316 JLWVVCLRLNXGJL-ZHACJKMWSA-N 297.354 3.664 0 40 CHAB Cc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1C 800735 YRCHOZNCPNOXAP-UHFFFAOYSA-N 299.370 3.711 0 40 CHAB CCCOC(=O)c1ccccc1C(=O)OC1CCCCC1 1694453 OZBBXRCZRHVFTK-UHFFFAOYSA-N 290.359 3.743 0 40 CHAB CCCCNc1ccc2c(c1)[C@H](O)c1ccccc1-2 2042776 VBFQIRHSJQJWAI-QGZVFWFLSA-N 253.345 3.961 0 40 CHAB O=C(N/C=C/c1ccccc1)OCc1ccccc1 3105652 AECSLLNPNDUEAV-VAWYXSNFSA-N 253.301 3.584 0 40 CHAB O[C@@H](CN1CCC(Cc2ccccc2)CC1)c1ccccc1 3312237 SWJSKHQZLJYDSG-FQEVSTJZSA-N 295.426 3.675 0 40 CHAB COc1cc2ccccc2cc1C(=O)NC1CCCCC1 3451121 IBZVGKPMCCMWIA-UHFFFAOYSA-N 283.371 3.911 0 40 CHAB Cc1[nH]nc2c1[C@H](c1ccco1)CC(c1ccco1)=C2 4632247 MHYSOCCMALECIQ-LBPRGKRZSA-N 266.300 3.980 0 40 CHAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2nccs2)cc1 4986515 VAMLGIWUBKVHBK-LLVKDONJSA-N 290.388 3.673 0 40 CHAB C[C@@H](Oc1ccccc1F)C(=O)c1c[nH]c2ccccc12 5859754 YUKVIQSPXNOCOW-LLVKDONJSA-N 283.302 3.957 0 40 CHAB O=C(NCCOc1cccc2ccccc12)c1cccs1 5876656 ARMOXTHSJDHZQW-UHFFFAOYSA-N 297.379 3.710 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc(Cl)cc1 6851574 XMUIYCPNQCJWIG-GHMZBOCLSA-N 297.855 3.804 0 40 CHAB Cc1cc(C)cc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 6903619 VHZJCFMKDCXUGC-GZBFAFLISA-N 274.433 3.778 0 40 CHAB Cc1c(C(=O)NC2CCCC2)oc2ccc(F)cc12 7951032 CASJQJWNXAJSMQ-UHFFFAOYSA-N 261.296 3.553 0 40 CHAB CC(=O)Nc1ccc(C(C)=O)cc1OCc1cccc(C)c1 9256338 KCCQWTBHEJRVOQ-UHFFFAOYSA-N 297.354 3.735 0 40 CHAB Cc1ccc(CCCNC(=O)c2ccc(C)cc2)cc1 10110367 JHBRPGSLBYRWDD-UHFFFAOYSA-N 267.372 3.666 0 40 CHAB c1ccc(N2CCN(c3nc4ccccc4s3)CC2)cc1 12229966 PBEVZZGTGWNZLV-UHFFFAOYSA-N 295.411 3.623 0 40 CHAB Fc1cccc(NC(=S)N2CCc3ccccc32)c1 13838787 LXPDPGWVZGTPTC-UHFFFAOYSA-N 272.348 3.585 0 40 CHAB Cc1cccc(NC(=O)[C@H](C)Sc2ccc(N)cc2)c1 17009685 IOBOZATWQHICHW-LBPRGKRZSA-N 286.400 3.697 0 40 CHAB O=C(CCCSc1ccccc1)Nc1ccncc1 17584844 BVSWHXPOIFJEBA-UHFFFAOYSA-N 272.373 3.593 0 40 CHAB CC(=O)Nc1cccc([C@H](C)NCc2cccc(F)c2)c1 20187462 ZNMAVIHRFRMFHL-LBPRGKRZSA-N 286.350 3.635 0 40 CHAB CCn1ncc2c(C(F)(F)F)cc(-c3ccco3)nc21 20615838 GDZNEOAGXFRQCD-UHFFFAOYSA-N 281.237 3.730 0 40 CHAB Cc1ccc(NC(=O)CC(C)(C)C)c2cccnc12 24765468 PVMFUAURPTYRJJ-UHFFFAOYSA-N 256.349 3.918 0 40 CHAB Cc1ccc(NC(=O)Cc2csc(C(C)C)n2)cc1 32480284 QFMFWCAAHWFZNY-UHFFFAOYSA-N 274.389 3.756 0 40 CHAB CCCCC(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 32609579 PHAIJSNSUPLEBQ-AWEZNQCLSA-N 270.376 3.845 0 40 CHAB CC[C@@H](C(=O)c1ccc2c(c1)CCO2)c1ccccc1 34022143 HWACXKKIYQZOIN-MRXNPFEDSA-N 266.340 3.998 0 40 CHAB Cc1cc(N2CCO[C@H](C)C2)nc2c(C(C)C)cccc12 40024902 JWVGVWVFWRPBCF-CQSZACIVSA-N 284.403 3.892 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(C)n1 40051496 IMZGLAARHHIPLI-CQSZACIVSA-N 286.400 3.601 0 40 CHAB CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 40097426 IDQFNZBFMPVDHR-IAQYHMDHSA-N 274.364 3.589 0 40 CHAB CCNc1nnc(SCc2ncc(C(C)(C)C)o2)s1 45940094 JEWWIDWPCNAHTN-UHFFFAOYSA-N 298.437 3.548 0 40 CHAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)C(C)C)ccc1Cl 48628261 KDPRXYIZCKAOCD-VXGBXAGGSA-N 283.799 3.576 0 40 CHAB O=C(c1ccc(F)cc1F)N1CCSc2ccccc21 58007686 NIOJGOMRIFBHLZ-UHFFFAOYSA-N 291.322 3.717 0 40 CHAB CSc1nnc(COc2ccccc2Cl)n1C1CC1 58164697 MTWYATMOUBSHHD-UHFFFAOYSA-N 295.795 3.567 0 40 CHAB Cc1ccc(C)c(CC(=O)Nc2c(C)nn(C(C)C)c2C)c1 69453674 QUZIIFJTSXZLQT-UHFFFAOYSA-N 299.418 3.879 0 40 CHAB C[C@H]1CCNc2ccccc2N1C(=O)OC(C)(C)C 71790388 FDXRUMKTDGIDPZ-NSHDSACASA-N 262.353 3.632 0 40 CHAB in-vitro FC(F)(F)Oc1ccc2c(Cl)nc(Cl)nc2c1 71791020 JKYSFPLAGCMMOI-UHFFFAOYSA-N 283.036 3.835 0 40 CHAB Cc1ccc(C)c(N2N=C(C(=O)O)C[C@H]2c2ccccc2)c1 71979073 YJIOPZKLLRNTDL-KRWDZBQOSA-N 294.354 3.695 0 40 CHAB Cc1ncccc1[C@@H]1CCCN1Cc1ccccc1 72211280 AQBUYNFMAJUPBL-KRWDZBQOSA-N 252.361 3.727 0 40 CHAB C[C@@H](NC(=O)c1cn[nH]c1-c1cccs1)c1ccccc1 72329465 TUJFBCQNQZNLOK-LLVKDONJSA-N 297.383 3.629 0 40 CHAB O=C(O[C@@H](c1ccccc1)c1ccccn1)C1CCC1 73669889 OARBZKKHFOJIEZ-INIZCTEOSA-N 267.328 3.514 0 40 CHAB CC(C)(C)C(=O)c1cc(Br)ccc1F 75854802 UBGZSNGATZVSOE-UHFFFAOYSA-N 259.118 3.817 0 40 CHAB CCN(Cc1cc(Cl)ccc1Cl)C(C)(C)CO 95405701 HOMHPCVOTHZRMS-UHFFFAOYSA-N 276.207 3.586 0 40 CHAB O=C(Nc1ccc(OCc2ccccn2)cc1)c1ccco1 97148390 BAOGRWFZINHTDZ-UHFFFAOYSA-N 294.310 3.506 0 40 CHAB C[C@@H](Nc1cccc(C[S@@](C)=O)c1)c1ccccc1F 97232202 SRJYGHFTEHGGPW-ODXCJYRJSA-N 291.391 3.877 0 40 CHAB C/C=C(\CN/C(=C\[N+](=O)[O-])c1ccccc1)c1ccccc1 104237356 YXIBWPUZIBVQEV-HDAZFNQJSA-N 294.354 3.955 0 40 CHAB O=C1CCC/C(c2ccccc2)=N/N=C/1c1ccccc1 104265013 XJRSREDVZTWBEL-SOFGQGLPSA-N 276.339 3.633 0 40 CHAB CC(=O)c1ccc(OCc2nnc(C(C)C)o2)c(Cl)c1 119473444 QYAOYWPQVMNPTK-UHFFFAOYSA-N 294.738 3.628 0 40 CHAB Cc1ccccc1[C@H]1CCN(C(=O)CC2CC2)CCS1 219291266 QVAFZUQXNKRBJM-MRXNPFEDSA-N 289.444 3.802 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cnc(C3CC3)nc2C)c1 222561999 NOFQYABNLOVLCM-UHFFFAOYSA-N 281.359 3.532 0 40 CHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)cc1 225610051 KCVYZGXEPVAMQT-INIZCTEOSA-N 279.380 3.618 0 40 CHAB CCc1cc(N)ccc1NC(=O)c1cccc(Cl)c1 226318047 NMEDKNQARRJVHC-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB CC[n+]1cccc(-c2nc3ccc(C)cc3s2)c1 226773303 LOWWKKROIOZTOD-UHFFFAOYSA-N 255.366 3.579 0 40 CHAB C[C@@H]1[C@@H](NC(=O)c2ccccc2Cl)CCC[C@H]1C 248118101 TZOGOBWTTOQLHL-SUNKGSAMSA-N 265.784 3.895 0 40 CHAB O=C(O)C1(c2ccc3c(Br)cccc3c2)CC1 259675074 IPDOZTIQDRKCIE-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB Cc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1 260658811 QBWSOONDISHYIE-KCQAQPDRSA-N 274.433 3.778 0 40 CHAB COc1ccc(C(=O)C(C)(C)CCl)c(Cl)c1 390530119 LLSMJJHJRFNTBR-UHFFFAOYSA-N 261.148 3.796 0 40 CHAB CCOC(=O)CCCC(=O)c1cc(Cl)ccc1C 575357931 JSIRTCFGSSNGPB-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB C[C@@H](c1ccccc1)N1CCC(N(C)c2ccccn2)CC1 1889130361 SBXGBZLNUNGMCE-INIZCTEOSA-N 295.430 3.743 0 40 CHAB CCSc1nnc(-c2ccc(Cl)cc2)n1CC 581762 ILUUOIMNUISBBB-UHFFFAOYSA-N 267.785 3.730 0 40 CHAB Cc1ccc(C(=O)N2CCc3sccc3C2)cc1C 12215910 UZLXDXOZRREDKL-UHFFFAOYSA-N 271.385 3.563 0 40 CHAB c1cncc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1 1465444 MBNPXIDECOBVBU-UHFFFAOYSA-N 282.324 3.601 0 40 CHAB c1ccc([C@@H]2OCCCO[C@H]2c2ccccc2)cc1 1704529 VJYFNYXNGNWAIQ-IRXDYDNUSA-N 254.329 3.906 0 40 CHAB Brc1ccccc1C[n+]1ccc2ccccc2c1 1870595 MTSBIDXSNQCMLP-UHFFFAOYSA-N 299.191 3.938 0 40 CHAB O=C(Nc1ccc(F)cc1)OC[C@@H]1C[C@@H]2C=C[C@H]1C2 4797257 WKBHLFZEPCTYLJ-WOPDTQHZSA-N 261.296 3.586 0 40 CHAB CC(=O)c1ccccc1NC(=S)Nc1ccccc1 6022749 JLUWEQYIIAQWAZ-UHFFFAOYSA-N 270.357 3.698 0 40 CHAB CCCN(CC)[C@H](CC)C(=O)Nc1c(C)cccc1C 896998 VTUSIVBDOCDNHS-OAHLLOKOSA-N 276.424 3.752 0 40 CHAB world COc1ccc(OC)c(CC(=O)Nc2ccc(C)cc2C)c1 6539726 YYGPTOKITJPMMK-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB CCCCCNC(=O)[C@@H](C)SCc1ccccc1 6597216 FVFWMNSNBBDNFQ-CYBMUJFWSA-N 265.422 3.615 0 40 CHAB Clc1ccc(C[n+]2ccc3c(c2)CCCC3)s1 42633186 RJJBUJMORVXIBA-UHFFFAOYSA-N 264.801 3.616 0 40 CHAB CC[C@@H]1CCCCN1c1ncc(Br)cc1C 42783639 VPSFXKAONTZEKE-GFCCVEGCSA-N 283.213 3.921 0 40 CHAB CC[C@H](C)C(=O)N[C@@H](C)c1cc2cccc(OC)c2o1 25197121 GJSQIWVHBATQJN-QWRGUYRKSA-N 275.348 3.665 0 40 CHAB C[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 9996356 HLUVGDBTIZIQQH-LLVKDONJSA-N 268.198 3.681 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c(O)c1 26981868 ARPYRAVHJDSZCT-UHFFFAOYSA-N 293.269 3.554 0 40 CHAB CC[C@@H](C)NC(=O)c1sccc1-c1ccccc1 27337401 NROOZHJIKLCLJY-LLVKDONJSA-N 259.374 3.943 0 40 CHAB Cc1cccc(CSCC(=O)N(C)Cc2ccccc2)c1 50123325 UBPUWYSPXLDVCY-UHFFFAOYSA-N 299.439 3.887 0 40 CHAB O=C(O)c1cc(Cl)c(C(F)(F)F)c(Cl)c1 35924158 UETOQVSKIMQOGK-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB Cc1nnc(CN(Cc2ccccc2)Cc2ccccc2)o1 58162864 ZIBOCXLAMKSBHS-UHFFFAOYSA-N 293.370 3.580 0 40 CHAB Cc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1 3359279 DEKISAPEIZZUKL-UHFFFAOYSA-N 284.359 3.538 0 40 CHAB CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1 3337086 JOFBAIYXQVOHDR-ZWNOBZJWSA-N 286.400 3.967 0 40 CHAB Fc1ccc(-c2[nH]ncc2CNCc2ccccc2)cc1 10003126 PTUKVEWJQDOHFT-UHFFFAOYSA-N 281.334 3.506 0 40 CHAB CC[C@@H](Cc1c(OC)ccc2ccccc12)C(=O)O 62711180 NZBMJRFPCMGEDO-NSHDSACASA-N 258.317 3.502 0 40 CHAB C[C@@]12CCC[C@@]1(O)[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2 118914954 HSOALUOHWZYSOE-UIFYRBHJSA-N 290.447 3.815 0 40 CHAB COc1ccc(F)cc1[C@H](C)NCc1ccc(C)o1 37089777 MPLIJCNHMTXYPZ-NSHDSACASA-N 263.312 3.587 0 40 CHAB Cc1sc(N2CCCCC2)[s+]c1SCC(=O)O 4126752 LZFWRDXZYXDYQY-UHFFFAOYSA-O 290.455 3.566 0 40 CHAB C[C@H](OC(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc12 6065602 PLFQMSAZZJSBMX-LBPRGKRZSA-N 293.322 3.596 0 40 CHAB C[C@@H]1OCC[C@@H]1Nc1ccc(Cl)c(Br)c1 96034115 QVFDBRTYZDSBRA-CPCISQLKSA-N 290.588 3.692 0 40 CHAB CCc1ccc([C@@H](CN)c2c[nH]c3ccccc23)cc1 6645700 DFIRNEWUMYFSCL-MRXNPFEDSA-N 264.372 3.821 0 40 CHAB Cc1c2c(nn1-c1nc(-c3ccccn3)cs1)CCCC2 4916003 PHQFPJCXANUCKF-UHFFFAOYSA-N 296.399 3.578 0 40 CHAB Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)o1 15725010 PAJLGPYPRAIZRM-UHFFFAOYSA-N 297.276 3.845 0 40 CHAB O=C(c1ccc(NCc2cccc(F)c2)cc1)N1CCCC1 69435572 KHJZCGKTZTVSPR-UHFFFAOYSA-N 298.361 3.674 0 40 CHAB CCN(CC)CCCNc1cc(-c2ccccc2)nc(C)n1 8614181 NLWFSDDCYHFGAS-UHFFFAOYSA-N 298.434 3.596 0 40 CHAB C[C@H](NC(=O)Cc1ccc(F)cc1)C(C)(C)c1ccccc1 75582589 YHMGVVHEHKIVSN-AWEZNQCLSA-N 299.389 3.851 0 40 CHAB OC1=C(C2=NCCN2)CCC/C1=C\c1ccccc1Cl 62716109 VLOBVZRSBKTHRW-ZRDIBKRKSA-N 288.778 3.721 0 40 CHAB Cc1cc([C@H]2CCCN2CC(C)C)cnc1Cl 72217784 MFIYDXZLLXPSHG-CYBMUJFWSA-N 252.789 3.836 0 40 CHAB COc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1 37358431 WPOCQAZDQGSYEI-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB CCOc1cccc(C(=O)n2cc(C=O)c3ccccc32)c1 216956667 PLJKUNPZBRFZES-UHFFFAOYSA-N 293.322 3.541 0 40 CHAB CC(C)CN1CCC[C@@H]1c1cccnc1N1CCCCC1 72216105 ZUVOQWPMFPTQOJ-QGZVFWFLSA-N 287.451 3.865 0 40 CHAB CCc1nc(COc2cc(C)ccc2C)sc1C(=O)O 40538428 FISOETFDAZNQQN-UHFFFAOYSA-N 291.372 3.600 0 40 CHAB CCc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 225893777 HCNOUKSDOUIVHY-UHFFFAOYSA-N 293.370 3.696 0 40 CHAB COc1ccc(NC(=O)C2(C)CCCCC2)c(C)c1 133638801 KEXMWEVQVSYMDQ-UHFFFAOYSA-N 261.365 3.913 0 40 CHAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(C)cc2)cc1C 223120324 YWFYUZUYVRVKHB-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB CCc1nc(CCN[C@H](C)c2ccco2)sc1C 95421591 KBIAOIXZYQUTMX-SNVBAGLBSA-N 264.394 3.500 0 40 CHAB CCC1(C)CN(C(=O)Nc2scnc2C(C)C)C1 335581503 VZOWWKIULBVCEO-UHFFFAOYSA-N 267.398 3.530 0 40 CHAB Fc1ccc(F)c(CNc2cnn(C3CCCC3)c2)c1 256054373 WALXQJRCHYGEJI-UHFFFAOYSA-N 277.318 3.889 0 40 CHAB COc1ccccc1C(=O)c1c(F)cccc1Cl 95917130 DWHPOTMRYKMWKS-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB C[C@@H]1CCC[C@@H]1NC[C@@H]1CCO[C@@H]1c1ccccc1 88734903 OJLYCWOBLDGNPS-BSWAZPDLSA-N 259.393 3.542 0 40 CHAB O=C(CCC1CCCC1)Nc1nc2c(s1)CCCC2 14378500 KKHZZVCWNQOOCV-UHFFFAOYSA-N 278.421 3.931 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1 14013217 DBTKMTHJKLWXCV-INIZCTEOSA-N 269.344 3.791 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1 41081442 CDBCCNYUDGDXNF-UHFFFAOYSA-N 290.750 3.843 0 40 CHAB C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(F)c1F 89929728 SABVNAVFIWYMPQ-MRVPVSSYSA-N 272.270 3.510 0 40 CHAB Cn1cc(NC(=O)Nc2ccccc2)c2ccccc21 10187723 JKEZWDSRCFULNJ-UHFFFAOYSA-N 265.316 3.822 0 40 CHAB Cc1ccc(C2=Nc3ccccc3NC(=O)C2)cc1C 100853470 WMSILLOBOOFMDH-UHFFFAOYSA-N 264.328 3.766 0 40 CHAB Cc1cc(Cl)cc2s/c(=N\C(=O)C(C)(C)C)n(C)c12 100908972 QYQDBEDZQZENCA-SSZFMOIBSA-N 296.823 3.675 0 40 CHAB O=C(c1ccc(OC(F)(F)F)c(F)c1)C1CCC1 575360378 GXKLVXBEGNEAED-UHFFFAOYSA-N 262.202 3.707 0 40 CHAB Cc1ccccc1NC(=O)c1cc2ccccc2o1 133091 JJLVCNPBCABAPO-UHFFFAOYSA-N 251.285 3.994 0 40 CHAB O=C1c2ccccc2C(=O)N1c1cc(Cl)ccc1Cl 342460 QGEUIYWGMPIINR-UHFFFAOYSA-N 292.121 3.794 0 40 CHAB COc1cc(OC)cc(C(=O)Nc2ccccc2Cl)c1 361988 BFAFKMRTVUUBKG-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB COc1cccc(C(=O)Oc2ccc(Cl)c(C)c2)c1 482284 AJYWBOOQVNLSRA-UHFFFAOYSA-N 276.719 3.876 0 40 CHAB O=C(O)Cc1ncc(C(F)(F)F)cc1-c1ccc(F)cc1 47206728 RXBRSZUIBAQUQQ-UHFFFAOYSA-N 299.223 3.534 0 40 CHAB CC[C@H](CC(C)C)C(=O)OCCOc1ccccc1 2042415 UPLDCHKHXPZLKL-CQSZACIVSA-N 264.365 3.681 0 40 CHAB CCCCCCOc1ccc(C(=O)CCC(=O)O)cc1 2144855 MNOIELCLJGGCGM-UHFFFAOYSA-N 278.348 3.693 0 40 CHAB biogenic C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@H]2O 3881870 VOXZDWNPVJITMN-ZKXLYKBJSA-N 272.388 3.609 0 40 CHAB biogenic,in-vitro COc1cccc(CC(=O)Nc2ccccc2SC)c1 8803028 ZFADZZUEALUQFV-UHFFFAOYSA-N 287.384 3.598 0 40 CHAB Cc1ccc2c(c1)C(=O)C[C@H](C)N2C(=O)c1ccccc1 1269537 FSPUXOIDIZKDML-ZDUSSCGKSA-N 279.339 3.617 0 40 CHAB Cc1cc(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)no1 57358091 GIDKUCFLVNPMMA-UHFFFAOYSA-N 297.314 3.507 0 40 CHAB CCCCC[C@@H](C)NC(=O)Nc1ccccc1F 57580914 SQOFJUPQOSJYTO-LLVKDONJSA-N 252.333 3.916 0 40 CHAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccccc2)C1 100626520 VBARFZRVWLOROJ-PBHICJAKSA-N 257.377 3.727 0 40 CHAB Cc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 27788783 ZPFCIPUPYAJXGP-UHFFFAOYSA-N 275.375 3.686 0 40 CHAB Fc1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 55211069 KBRDRDNCEKUANR-SFHVURJKSA-N 278.330 3.809 0 40 CHAB Clc1ccc(-n2c(Cl)nc3c2CCC3)cc1 22126208 FAYXMQXNGXMGGD-UHFFFAOYSA-N 253.132 3.668 0 40 CHAB COc1ccc2cc(C(=O)C(F)(F)F)ccc2c1 2378600 DGUJNJQFAWNYEY-UHFFFAOYSA-N 254.207 3.593 0 40 CHAB FC(F)(F)c1ccccc1-c1c[nH]c([C@@H]2CCCN2)n1 36874059 DIVWFDGFBNTRRP-NSHDSACASA-N 281.281 3.520 0 40 CHAB in-vitro CCC[C@@H](C)NC(=O)C1(c2ccccc2)CCCC1 2512738 FWGGODQHDRBACN-CQSZACIVSA-N 259.393 3.803 0 40 CHAB CC[C@@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 13746373 XKESEHDQMVOIJM-CHWSQXEVSA-N 270.376 3.999 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cc(C)sc2C)c1 5278975 NJOOUPAOQQSYGA-UHFFFAOYSA-N 273.357 3.820 0 40 CHAB COc1cccc(/C=C/c2cnc3ccccc3n2)c1OC 6424715 PPUVITPJPBIFED-ZHACJKMWSA-N 292.338 3.817 0 40 CHAB OCCCCCCCCCCCN1CCCCC1 4854610 WACLCTDOCWARAY-UHFFFAOYSA-N 255.446 3.976 0 40 CHAB CC(C)CO[C@H]1C[C@H](OC(=O)c2ccccc2)C1(C)C 84544347 IIMWHXABNWSQRS-GJZGRUSLSA-N 276.376 3.683 0 40 CHAB O=C(OCc1nc2ccccc2o1)c1cc2c(s1)CCC2 8340367 PVANWLXUCXWYIY-UHFFFAOYSA-N 299.351 3.735 0 40 CHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC(C)C 17128340 XXPLKHXIUWZYMD-UHFFFAOYSA-N 292.379 3.643 0 40 CHAB COc1ccc(-c2noc([C@@H]3C[C@@H]3c3ccco3)n2)cc1 83952330 RBDFKNOUOUCXQU-QWHCGFSZSA-N 282.299 3.609 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCCCCC1 20104649 YPBPFJAJXUACPB-MRXNPFEDSA-N 275.392 3.555 0 40 CHAB Cc1cc(C)c(C)c(S[C@@H]2CCCCNC2=O)c1C 22987840 UNGGPSZUQRGWRU-CQSZACIVSA-N 277.433 3.681 0 40 CHAB COc1ccc([C@H]2CCN(c3nc4ccccc4o3)C2)cc1 301126613 OSGPPPUASGKZBV-AWEZNQCLSA-N 294.354 3.830 0 40 CHAB C[Si](C)(C)NCc1ccc(OC(F)(F)F)cc1 219784389 FYPYMOULLSOUSZ-UHFFFAOYSA-N 263.335 3.510 0 40 CHAB FC(F)(F)C(F)(F)Oc1ccccc1Br 217715274 PXCFEPNSKMOUGV-UHFFFAOYSA-N 291.013 3.983 0 40 CHAB CCCCN1CCC[C@@H]1c1cccnc1OC(C)C 72211964 YLMJFHWUEORBEY-OAHLLOKOSA-N 262.397 3.806 0 40 CHAB Cc1ccc(N2CC(Nc3ccccc3C)=CC2=O)cc1 217426092 GYNCVYMSXFJQLP-UHFFFAOYSA-N 278.355 3.646 0 40 CHAB CCCCC1=NN(c2cccc(Cl)c2)C(=O)C1 71976521 HHCZEDXLFPDEPB-UHFFFAOYSA-N 250.729 3.623 0 40 CHAB COc1ccc2cc(C(=O)N(C)[C@@H](C)CC(C)C)[nH]c2c1 31285970 KFEDPVATVGWZJY-LBPRGKRZSA-N 288.391 3.683 0 40 CHAB COC(=O)c1oc(-c2ccccc2)nc1Cc1ccccc1 71606916 IRAXXLSNVWVHRA-UHFFFAOYSA-N 293.322 3.719 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)N2CCCCCC2)cc1 31851891 CDDLNMPAADLTMX-AWEZNQCLSA-N 277.433 3.878 0 40 CHAB CCCCC(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 71287595 YCTKGPJYXJLLIF-UHFFFAOYSA-N 294.358 3.754 0 40 CHAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCCCC1 44675549 QYQUHVNZJDOWDZ-UHFFFAOYSA-N 285.309 3.902 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCC(C)CC1 44902380 DSSGVLWRFIMEMN-MRXNPFEDSA-N 289.419 3.719 0 40 CHAB Brc1ccn2cc(-c3ccccc3)nc2c1 89201687 PZVAJJGUHTVUKT-UHFFFAOYSA-N 273.133 3.764 0 40 CHAB Cc1ccc(C)c(C(=O)c2ccc(C3OCCO3)s2)c1 43210452 WACCAOGOIQIBDD-UHFFFAOYSA-N 288.368 3.641 0 40 CHAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 48673634 UEOOHAWCTPFXBD-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB CSc1c(Br)cccc1Br 90413308 ZMMKTNBXAKNAFU-UHFFFAOYSA-N 282.000 3.934 0 40 CHAB C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cncnc2)cc1 96444320 XIQOQKBBGPMKGN-GFCCVEGCSA-N 299.374 3.729 0 40 CHAB CCC(=O)c1cccc(OC(F)(F)C(F)F)c1 95740342 PSDQFJXTJKDJJD-UHFFFAOYSA-N 250.191 3.516 0 40 CHAB CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2ccco2)C1 96432346 HCACSSNDKLCPTC-RFQIPJPRSA-N 293.432 3.516 0 40 CHAB Cc1ccc(-c2ccnn2C)cc1NC(=O)c1occc1C 252495795 PAKRUUNOWSBSNO-UHFFFAOYSA-N 295.342 3.549 0 40 CHAB CO[C@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1C 96104928 RRVIZYMIKMEZIP-QFQMRYFISA-N 295.382 3.512 0 40 CHAB CCC(=O)Nc1ccc(NC(=O)N[C@H](C)C(C)C)cc1C 47977146 VSJFRTGMHCEXOO-GFCCVEGCSA-N 291.395 3.510 0 40 CHAB CCCn1cc(N[C@H](C)c2nc3ccccc3o2)cn1 97140083 MVCAVEGEUURBAI-LLVKDONJSA-N 270.336 3.607 0 40 CHAB Cc1noc(C)c1C[C@H](C)N[C@@H](C)CSC(C)(C)C 95968228 PVRGDFXUYUSKPU-QWRGUYRKSA-N 284.469 3.732 0 40 CHAB CCOC(=O)[C@@H]1CC[C@H]2Nc3c(Cl)cccc3[C@H]2C1 12859731 ILKXXVKIHTZAIS-IRUJWGPZSA-N 279.767 3.581 0 40 CHAB CCCCO[C@H]1C[C@H]2c3ccccc3[C@@H]1c1cccc[n+]12 5120983 VCJVDCDMNOMMRL-GBESFXJTSA-N 280.391 3.598 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2c(C)cccc2C)c1 5292608 KNVAOYRAEPIDHS-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB Cc1cccnc1NC(=S)NCc1ccc(Cl)cc1 13837346 WVVFGAWZKPSDJK-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB CC1=CC(C)(C)n2c3nc(S)nnc3c3cc(C)cc1c32 14671958 UTJQMVGRLPWJRO-UHFFFAOYSA-N 296.399 3.729 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OC(F)F)c1 14903365 VINJMIKVPYFQOX-ZWNOBZJWSA-N 283.318 3.597 0 40 CHAB CC[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC2 20769221 QUSVOUJGOGGEEP-MRXNPFEDSA-N 272.392 3.972 0 40 CHAB O=C(Nc1ccccc1Oc1ccccc1)c1ccno1 10254041 JSBLUXHPKXZLNY-UHFFFAOYSA-N 280.283 3.719 0 40 CHAB FC(F)(F)Oc1ccc(NCc2ccccn2)cc1 19912582 NIGCBBGEURFUND-UHFFFAOYSA-N 268.238 3.592 0 40 CHAB COC(=O)CCCCC(=O)c1ccccc1C(F)(F)F 575358725 ARKPKQXQMXJKSZ-UHFFFAOYSA-N 288.265 3.622 0 40 CHAB Cc1ccc2[nH]c(SCc3ccc(C(=O)O)cc3)nc2c1 8701161 GSPDYRLMLAQINW-UHFFFAOYSA-N 298.367 3.862 0 40 CHAB COc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1C 30979542 UEJIBDCTPHUFAT-KRWDZBQOSA-N 295.382 3.763 0 40 CHAB Cc1cccnc1NC(=O)c1ccc(CSC(F)F)o1 30557226 AROJCOQBPFSNBB-UHFFFAOYSA-N 298.314 3.691 0 40 CHAB CNc1ncccc1-c1nc2cc(Cl)ccc2o1 20218562 VVLHVRQSEJZUEP-UHFFFAOYSA-N 259.696 3.585 0 40 CHAB Cc1cc(S[C@@H](C)C(=O)NC(C)C)nc2ccccc12 21259339 RAQWRJHIBQHUPV-LBPRGKRZSA-N 288.416 3.548 0 40 CHAB CC(C)n1cnc2cc(NC(=O)c3cccs3)ccc21 350246 SFCXSNFGPUCZJD-UHFFFAOYSA-N 285.372 3.931 0 40 CHAB CC(C)CC(=O)Nc1ccc(Br)cc1F 383538 QHJKNWGFTYWXFU-UHFFFAOYSA-N 274.133 3.573 0 40 CHAB Cc1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 390931 NJVYOXMLFPONKF-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB C[C@@]12C[C@@H](NC(=S)N1c1ccccc1)c1ccccc1O2 424740 DVJFNVTYOHQUEC-RHSMWYFYSA-N 296.395 3.621 0 40 CHAB CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 1467822 SMYRLHVRGXBMTQ-UHFFFAOYSA-N 268.341 3.922 0 40 CHAB O=C(O)CCc1c(-c2ccccc2)[nH]c2ccccc12 1585502 HLMMIHTXAONNJG-UHFFFAOYSA-N 265.312 3.852 0 40 CHAB O=C(COc1ccc2ccccc2c1)Nc1cccc(F)c1 2051896 QTOOXQKDXOVJJG-UHFFFAOYSA-N 295.313 3.996 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 4175474 CBMYJHIOYJEBSB-GODJRVASSA-N 292.463 3.751 0 40 CHAB Cc1ccc(O[C@@H](C)c2nc(-c3ccncc3)no2)cc1 4433153 HWBLRRAHNBJSPB-LBPRGKRZSA-N 281.315 3.580 0 40 CHAB O=C(CCSc1ccc(F)cc1)NCc1ccccc1 4496859 SZAHFRVPBXJBJQ-UHFFFAOYSA-N 289.375 3.624 0 40 CHAB C[C@@]12CC[C@@H]3c4ccc(O)cc4C=C[C@@H]3[C@@H]1CC[C@@H]2O 4655202 VVLCELUSWGWMSW-RSJGLCBASA-N 270.372 3.690 0 40 CHAB Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2C)c1 4815134 BZWAVDNDLUIMQV-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CC(C)CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 6325826 FSHZFLYXENRQSW-LLVKDONJSA-N 285.840 3.983 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2cc(C)sc2C)c1 8340293 QAFMFTBSUCMNHA-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB COCc1c(C(=O)NCC(C)C)sc2cccc(F)c12 9315628 UJCWDQPWUGSWGC-UHFFFAOYSA-N 295.379 3.573 0 40 CHAB Cc1cc(SCC(=O)NC(C)(C)C)nc2ccccc12 9911704 HCCWTLNFZRNIKH-UHFFFAOYSA-N 288.416 3.550 0 40 CHAB O=C(c1ccoc1)N1CCC(c2c[nH]c3ccccc23)CC1 11264816 CIBAHXMGRYYETQ-UHFFFAOYSA-N 294.354 3.781 0 40 CHAB C/C=C/C=C/C(=O)Nc1c(C)nn(-c2ccccc2)c1C 12821025 HHLVZNHUEUOCNJ-RKEQOFPCSA-N 281.359 3.560 0 40 CHAB Cc1cc(Oc2ccccc2)nc(-c2ccccc2O)n1 13127888 SPUHWLNYCWEBKZ-UHFFFAOYSA-N 278.311 3.950 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 13708799 HWCVNARIRNTRTI-CHWSQXEVSA-N 271.360 3.522 0 40 CHAB O=C(C[C@H]1C=CCC1)N[C@@H]1CCCc2ccccc21 14019827 WDBFJGZMTUGNOJ-XJKSGUPXSA-N 255.361 3.537 0 40 CHAB CCCCNC(=O)CCc1ccc(-c2ccc(F)cc2)o1 15867425 BZLAKYYIIJPDCU-UHFFFAOYSA-N 289.350 3.935 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1N 19269757 UVSGVTRZOGPPDJ-UHFFFAOYSA-N 284.359 3.653 0 40 CHAB Cc1c(N)cccc1NC(=O)c1ccccc1OC(C)C 19736340 DSDLGMVPOLPSBT-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB CSc1ccc([C@H]2NCCc3ccccc32)cc1 19772826 RITXFPJDTKCQJJ-MRXNPFEDSA-N 255.386 3.644 0 40 CHAB CC(C)(C)C1CCC(C(=O)Nc2ncccc2O)CC1 21901784 QWVHRUIXEOPZMS-UHFFFAOYSA-N 276.380 3.578 0 40 CHAB COc1ccnc(NC2CCC(c3ccccc3)CC2)n1 25499095 USPKFQKPULNSJW-UHFFFAOYSA-N 283.375 3.624 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)c(C)c1 27269595 OUEDWILKLCJBFT-KRWDZBQOSA-N 280.371 3.676 0 40 CHAB C[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)N1C 33645356 UYHFNMAZLZQLFT-KBRIMQKVSA-N 253.345 3.777 0 40 CHAB Nc1cccc(C(=O)Nc2cccc(-c3nccs3)c2)c1 37767632 AGNLTGKDKXERRF-UHFFFAOYSA-N 295.367 3.645 0 40 CHAB CCc1nc2c(c(C)c(C)n2-c2ncccc2C)c(N)c1C 40285029 DNTDYASYNKALRH-UHFFFAOYSA-N 294.402 3.799 0 40 CHAB CCc1cccc(C)c1NC(=O)N1CCCC[C@H]1C 40525500 WVUZGBSBJPHMTR-CYBMUJFWSA-N 260.381 3.964 0 40 CHAB CC(C)(C)CC(=O)N1CCC[C@H]1c1ccsc1 40534466 SXLHRDPAFIHFPC-LBPRGKRZSA-N 251.395 3.848 0 40 CHAB CCN(CC)c1nc(N2CCC[C@@H](C)C2)nc2ccccc12 41147897 QSZVWVZNWUZBEB-CQSZACIVSA-N 298.434 3.712 0 40 CHAB Cc1ccc(-c2n[nH]cc2CNC[C@@H](C)c2ccccc2)o1 42907634 XLDQEWSCWIBPML-CYBMUJFWSA-N 295.386 3.871 0 40 CHAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1cccc2cnccc12 43168383 DLABHSXYEFDIIR-STQMWFEESA-N 298.390 3.534 0 40 CHAB Cc1ccnc(-c2ccc(Br)cc2F)c1 45028361 WYCNVNYPFJMPPK-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB Cc1cccc(OCC(=O)Nc2c(C)cc(N)cc2C)c1C 45890185 DGINJFUHQMEBBY-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc(-c2cnco2)c1 48205088 PTKAGJZMCRSMCM-LBPRGKRZSA-N 268.316 3.636 0 40 CHAB Cc1cccc(OCC(=O)N[C@H](C)c2ccc(C)cc2C)c1 59351583 SMGQEVVYEBTWED-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB O=C(CCc1ccc(F)cc1)NCCC1=CCCCC1 60886532 BESIMJDKUVFCKK-UHFFFAOYSA-N 275.367 3.765 0 40 CHAB CC(C)(C)SCc1nnc(Cc2ccccc2)o1 69702687 TUIUVCRSAQBWCX-UHFFFAOYSA-N 262.378 3.692 0 40 CHAB Cc1cc([C@@H]2CCCN2CC(C)C)cnc1Cl 72217783 MFIYDXZLLXPSHG-ZDUSSCGKSA-N 252.789 3.836 0 40 CHAB C[C@H]1CCCN(Cc2c(C3CC3)[nH]c3ncccc23)C1 72393355 KOACDBZYQWAWEP-LBPRGKRZSA-N 269.392 3.672 0 40 CHAB CC(C)[C@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1 84456358 FONDVRJQMGTMBO-LJQANCHMSA-N 296.414 3.954 0 40 CHAB COC(=O)/C=C/c1ccc(OCc2ccccc2F)cc1 85397224 XFQKJZZIDRPCFP-DHZHZOJOSA-N 286.302 3.591 0 40 CHAB FC(F)(F)CCCCOc1nnc(-c2ccccc2)o1 89853109 ISUIXONZVFPIMA-UHFFFAOYSA-N 286.253 3.848 0 40 CHAB COc1cc(C=O)c(Cl)cc1OCc1ccccc1F 95094964 OCZIXRUPVHGNHH-UHFFFAOYSA-N 294.709 3.879 0 40 CHAB FC(F)(F)c1ccc(Cl)c(OCCC2OCCO2)c1 95733723 WJJMRHYEKDQFCJ-UHFFFAOYSA-N 296.672 3.501 0 40 CHAB COc1ccc(CC(=O)c2cccc(SC)c2)cc1 95917247 FNIGUGMGVLNQOK-UHFFFAOYSA-N 272.369 3.843 0 40 CHAB Cc1ccc2cc(CNc3ccccc3CO)ccc2n1 97861453 RTRPUUXALPELIP-UHFFFAOYSA-N 278.355 3.648 0 40 CHAB C[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CNC[C@H]1[C@@H]2CC[C@H](C2)[C@H]1C 100688888 BYNFXCWZFITGRK-DSGBXWFHSA-N 261.453 3.940 0 40 CHAB O=C1N/C(=C\c2nc3ccccc3s2)c2ccccc21 101479086 OTPPLCSGGYKMAA-LCYFTJDESA-N 278.336 3.538 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2ncccc2c1 106097031 SLWFTQCHRSWLPE-KCQAQPDRSA-N 280.371 4.000 0 40 CHAB CCOC(=O)c1cc(N)ccc1NC1CCCCCCC1 109768189 QRNQXTXPBPGITN-UHFFFAOYSA-N 290.407 3.970 0 40 CHAB CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n[nH]1 145738273 CKZFCYPRBVJFQJ-UHFFFAOYSA-N 272.348 3.551 0 40 CHAB CCCCNCc1cccn1-c1ccc(C)c(C)c1 223682159 OHJXCAXQVFZJSP-UHFFFAOYSA-N 256.393 3.984 0 40 CHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1=CCCCC1 224415574 LAJFSVFCTMDFKP-GFCCVEGCSA-N 293.794 3.724 0 40 CHAB CCCCNC(=O)c1ccc(OCC)c(COC(C)C)c1 224712805 XOVCIHZEFIJZDH-UHFFFAOYSA-N 293.407 3.540 0 40 CHAB CC(C)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225529323 VJWJNOKBBFTUQF-OAHLLOKOSA-N 287.403 3.985 0 40 CHAB O=C(O)C[C@@H]1COc2c(Cl)cc(Cl)c(Cl)c21 585656407 XEQXOJDHVLXRGC-SCSAIBSYSA-N 281.522 3.598 0 40 CHAB Cc1nc2c(c(Nc3cccc(Cl)c3)n1)CCC2 12016506 HDLWNTXIYWXZGB-UHFFFAOYSA-N 259.740 3.671 0 40 CHAB O[C@H](c1ccccc1)[C@@H](Cc1ccccc1)N1CCCCC1 1668057 HUGKXSARDXPQDU-WOJBJXKFSA-N 295.426 3.817 0 40 CHAB Cc1ccc(NC(=O)N2CC(C)(C)C2(C)C)cc1C 78988480 VBZPVJPOXOHPGT-UHFFFAOYSA-N 260.381 3.956 0 40 CHAB CC(C)N(C(=O)CNc1ccccc1)c1ccccc1 6909999 OFINACKMXHBHAT-UHFFFAOYSA-N 268.360 3.540 0 40 CHAB C[C@H](NC(=O)Nc1nccs1)c1cccc(Cl)c1 42736611 WOSQOAVFJZQPBI-QMMMGPOBSA-N 281.768 3.679 0 40 CHAB Clc1ccc(Oc2ccc(-n3cnnc3)cc2)cc1 57327674 DAVNNFDPLJCWCW-UHFFFAOYSA-N 271.707 3.713 0 40 CHAB CCOc1cccc2sc(NCc3cccnc3)nc12 26422511 ORFNBYBFKUBIAS-UHFFFAOYSA-N 285.372 3.702 0 40 CHAB COC(=O)CCCN(Cc1ccccc1)Cc1ccccc1 97324682 NRSNDQYVNKDANQ-UHFFFAOYSA-N 297.398 3.642 0 40 CHAB CCc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1 57488264 JSHSWDQMZNDACF-YIONKMFJSA-N 285.387 3.583 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1c1ccncc1 27276615 HBUFPDAUAOIINH-QGZVFWFLSA-N 291.354 3.540 0 40 CHAB CCCN(C(=O)Nc1cc(C)on1)[C@@H]1CCc2ccccc21 58195955 MZULCXMYDNINOQ-OAHLLOKOSA-N 299.374 3.914 0 40 CHAB CC(C)(C)N1COc2c(cc(Cl)c3cccnc23)C1 54387973 HYHLWKUXPPVRPJ-UHFFFAOYSA-N 276.767 3.839 0 40 CHAB CC(C)[C@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 58996381 JJCDJKWMLNQZLN-KBPBESRZSA-N 291.435 3.912 0 40 CHAB CN(C)c1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 3325491 AYDWZDJSUNISDD-SFHVURJKSA-N 294.398 3.560 0 40 CHAB Clc1ccc2nc(NCc3cccnc3)sc2c1 11919983 ZGLXUOIZHXILBQ-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB CCN1CCC[C@H]1CNCc1ccc(Cl)cc1Cl 19371044 LGRBYCDQOCKYAU-ZDUSSCGKSA-N 287.234 3.567 0 40 CHAB Cc1ccccc1CNC(=O)c1c(F)cccc1Cl 39496429 RERLABAICZLCEI-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB C/C(=C\C(=O)Nc1ccccc1C(F)(F)F)N1CCCC1 5287529 YHYAYGYOHGMXTN-ZHACJKMWSA-N 298.308 3.644 0 40 CHAB C[C@@H](OC(=O)C1CCCCC1)C(=O)c1c[nH]c2ccccc12 6376736 YHVGCYZCHQAZCQ-GFCCVEGCSA-N 299.370 3.863 0 40 CHAB CC(C)c1noc(CN[C@H](C)c2ccc(Cl)cc2)n1 65591536 ASHVLFIKZGQBJS-SNVBAGLBSA-N 279.771 3.697 0 40 CHAB O=C(OCc1csc(-c2cccs2)n1)c1ccoc1 14125483 RESGSWHSXSTHJM-UHFFFAOYSA-N 291.353 3.822 0 40 CHAB Cc1cc(C)c2nc(NC(=O)C3CCC3)sc2c1 5637472 HFERMIJNRPJQFC-UHFFFAOYSA-N 260.362 3.652 0 40 CHAB Fc1cccc(CSc2n[nH]c3nc4ccccc4n23)c1 9318382 VMHNBBXNTOITPG-UHFFFAOYSA-N 298.346 3.642 0 40 CHAB CSc1ccc(NC(=O)CCc2c(C)noc2C)cc1 16832855 HARRQMGYDSWPIB-UHFFFAOYSA-N 290.388 3.585 0 40 CHAB CCN(CC)CCN(CC)Cc1cc2ccccc2o1 22927782 KFGSQOJFTJKOLL-UHFFFAOYSA-N 274.408 3.597 0 40 CHAB Cc1ccc(CC(=O)NCc2cccc(OC(C)C)c2)cc1 20487122 CQJLOGBYXRIHCA-UHFFFAOYSA-N 297.398 3.641 0 40 CHAB Cc1ccc(C(=S)NCc2cccc(C)c2)cc1 408576134 PUIJXEARBKDQNS-UHFFFAOYSA-N 255.386 3.769 0 40 CHAB COC(=O)c1cc(Cl)ccc1OCc1ccccc1F 216805627 HFUZQDLYHHLVPJ-UHFFFAOYSA-N 294.709 3.845 0 40 CHAB COc1cccc(OC)c1[C@H]1CCCCN1CC(C)C 72221440 WULYAXYJAFCRGZ-CQSZACIVSA-N 277.408 3.887 0 40 CHAB Clc1nnc(-c2ccccc2)n1-c1ccccc1 32627046 ZLIFHMDKLFUZQJ-UHFFFAOYSA-N 255.708 3.588 0 40 CHAB CC(=O)N1CCCC[C@@H]1c1cncc(-c2ccccc2C)n1 72366340 GPCABUJOTFXSOZ-GOSISDBHSA-N 295.386 3.526 0 40 CHAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(C)cc2)cc1 30854845 BNOAJBHCGPAJOZ-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccoc1 72221624 DAFLONKDRIESFK-GFCCVEGCSA-N 251.326 3.742 0 40 CHAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(CC)cc1 225466848 SORQLUPXLHBUDG-UHFFFAOYSA-N 297.402 3.715 0 40 CHAB CCOC(OCC)c1ccc(O[C@H]2CCCCO2)cc1 43503342 SKCQUQHOARNGJP-HNNXBMFYSA-N 280.364 3.664 0 40 CHAB COCCCN[C@@H](C)c1ccc(OC2CCCC2)cc1 225169946 MRXYJNFFQLFUFT-AWEZNQCLSA-N 277.408 3.695 0 40 CHAB CCO[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111065 ZRYAGZLOOADYCH-MRXNPFEDSA-N 286.327 3.511 0 40 CHAB CCOc1ccc(-c2nc(-c3ccco3)n[nH]2)cc1OCC 85385063 ZLPPCPUPMYSARO-UHFFFAOYSA-N 299.330 3.529 0 40 CHAB Cc1cccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c1 225017532 SLYIEMQLYKPCGC-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB CCOc1cccc(CNC(=O)c2cc(C)ccc2C)c1 48376354 JVCDYZNBPUPTNM-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB CC(C)c1ccc(-c2nc(CCCN)cs2)cc1 41348710 BNIAKXHOZNHTTH-UHFFFAOYSA-N 260.406 3.825 0 40 CHAB Cc1cnc(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)o1 331945096 MRHIYJPJLLAHFU-CQSZACIVSA-N 284.359 3.526 0 40 CHAB N[C@@H]1CC2(CCC2)Sc2ccc(Br)cc21 238678288 CXLCGKFFFCRONQ-SNVBAGLBSA-N 284.222 3.867 0 40 CHAB CC/C=C\COCc1ccc(Br)cc1 95725446 XKXNTNOELPNBGH-ARJAWSKDSA-N 255.155 3.932 0 40 CHAB CC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccccc1 51627793 MCOJPEILIGRSCO-SJORKVTESA-N 273.351 3.600 0 40 CHAB Cc1nccn1-c1cccc([C@@H]2CCCN2C2CCCC2)n1 257235473 GXZUALRXYWUIBX-KRWDZBQOSA-N 296.418 3.655 0 40 CHAB CN(C)c1ccc(C(=O)c2c(F)cccc2Cl)cc1 95916752 BKOHXFUGZMSWLM-UHFFFAOYSA-N 277.726 3.776 0 40 CHAB COc1ccc(C(=O)c2cc(F)cc(Cl)c2)c(OC)c1 95916213 QYBLZKRCRXFVHF-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB CCc1ccsc1C(=O)N1CCC[C@@H]1c1cc(C)on1 48890773 ACRBVVAZESZDGL-CYBMUJFWSA-N 290.388 3.584 0 40 CHAB CCCC(CCC)NCCn1cnc2ccccc21 89949504 FNOOCLJPGRQNHV-UHFFFAOYSA-N 259.397 3.595 0 40 CHAB Cn1c(C(=O)O)ccc1-c1ccc(Cl)cc1Cl 11730420 NLHOLRGWJAVNFK-UHFFFAOYSA-N 270.115 3.697 0 40 CHAB COCc1ccc(C(=O)Nc2ccc(C)c3ncccc23)o1 19134736 OAUAFYWKTLMIPR-UHFFFAOYSA-N 296.326 3.535 0 40 CHAB COc1ccc([C@H](NC(=O)C[C@@H]2C=CCC2)C(C)C)cc1 19310929 GBMUXDNENCLCQG-RDTXWAMCSA-N 287.403 3.865 0 40 CHAB COc1ccc(CN[C@H]2CCCc3ccccc32)cc1O 20133445 MTWLFDAFSBSZFM-INIZCTEOSA-N 283.371 3.568 0 40 CHAB O=C(Nc1ccccc1)c1ccc2ccccc2c1O 71392 MRBHUTYSDDTIIF-UHFFFAOYSA-N 263.296 3.798 0 40 CHAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1ccco1 9114440 HYKVBGJEMYSDED-HNNXBMFYSA-N 283.352 3.861 0 40 CHAB COC(=O)c1ccccc1N[C@H]1CCc2ccccc21 35682879 YEQKJKXZIZVKIG-INIZCTEOSA-N 267.328 3.573 0 40 CHAB CCCCCCC(=O)Nc1nnc(C(C)(C)C)s1 3016573 PFSRMQLFYDEPLH-UHFFFAOYSA-N 269.414 3.745 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)NCc1ccc(F)cc1 30982661 YUEKPQHCSCDKLS-CYBMUJFWSA-N 286.350 3.695 0 40 CHAB CCCC(C)(C)NC(=O)Cc1coc(-c2ccccc2)n1 50498052 BWEVGQUCFVDAIR-UHFFFAOYSA-N 286.375 3.579 0 40 CHAB Cc1ccc(-n2nnnc2-c2ccc(C(C)(C)C)cc2)cc1 338101 YUZBMKLBAYPWAY-UHFFFAOYSA-N 292.386 3.935 0 40 CHAB Cc1cccc(C)c1OC(=O)/C=C/c1ccccc1 505125 WJMIHNXJAYKYIZ-VAWYXSNFSA-N 252.313 3.922 0 40 CHAB CC(C)Oc1ccc(C(=O)Cc2ccccc2)cc1 543382 ATYVCAASBCTFDK-UHFFFAOYSA-N 254.329 3.899 0 40 CHAB Cc1ccc(CN(C)C(=S)Nc2ccc(F)cc2)cc1 7662109 WOISNIBCHCPMNQ-UHFFFAOYSA-N 288.391 3.963 0 40 CHAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)C1CC1 23040440 QBJMSEAISGMNQH-LBPRGKRZSA-N 280.371 3.585 0 40 CHAB O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1CCCO1 8429498 VIAPNBOLUCYDIR-INIZCTEOSA-N 283.327 3.596 0 40 CHAB COCc1ccc(CNC(=O)Nc2c(C)cccc2C)cc1 43357914 FKLGVVHRSUBZKR-UHFFFAOYSA-N 298.386 3.772 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccccc3oc2=N)c(C)c1 57525405 BRMVXHQKEHERFR-UHFFFAOYSA-N 292.338 3.781 0 40 CHAB Cc1cc(C)c(/C=C2/SC(=S)N=C2O)cc1C 56683736 YQCOWZMUBBSVLP-IZZDOVSWSA-N 263.387 3.941 0 40 CHAB Cc1ccc(N[C@H](C)C(=O)NC2CCCCCC2)c(C)c1 28744446 KAMTZCMWSXLPGK-OAHLLOKOSA-N 288.435 3.943 0 40 CHAB Cc1ccc(/C=C/C(=O)NC(C2CC2)C2CC2)cc1Cl 48422490 BJAIXPJWWGGTET-RUDMXATFSA-N 289.806 3.966 0 40 CHAB CCCCCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1 12907881 OTGABNARCQNLQJ-UHFFFAOYSA-N 290.407 3.591 0 40 CHAB O=c1sc2ccccc2n1CCCOc1ccccc1 4318179 CCJQOTFFLVAEDM-UHFFFAOYSA-N 285.368 3.532 0 40 CHAB O=C(NCCCCc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 6227638 DTOJOQTXTNWPRQ-MOPGFXCFSA-N 293.410 3.929 0 40 CHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCCCC1 6304836 ZYSXLIVVDSRNFY-UHFFFAOYSA-N 295.810 3.946 0 40 CHAB CC[C@@H](C)OCc1nn(CCC(F)(F)F)cc1Cl 408715386 LSSIYWOPXRCBGQ-MRVPVSSYSA-N 284.709 3.804 0 40 CHAB CSc1ncccc1C(=O)N1CCCc2cc(C)ccc21 14423459 ACAPEGLDDHWZKE-UHFFFAOYSA-N 298.411 3.705 0 40 CHAB Cc1c(C(=O)CN2CCCC(C)(C)C2)c2ccccc2n1C 4817367 BPCCIKVWHNBDAD-UHFFFAOYSA-N 298.430 3.791 0 40 CHAB Cc1ccc(NC(=O)c2cn3ccccc3n2)c(Cl)c1 4939051 IKIDBGDYHPFZBG-UHFFFAOYSA-N 285.734 3.548 0 40 CHAB CC[C@H](C)N[C@H](C)c1ccc(Br)cc1 19881998 VERWMFMRAAXIBX-VHSXEESVSA-N 256.187 3.898 0 40 CHAB O=C(CCc1cccs1)Nc1cccc2cccnc12 8428045 CUHNYZVCBHYEOX-UHFFFAOYSA-N 282.368 3.868 0 40 CHAB CCc1nc(CNc2ccccc2SC(C)C)no1 97014918 QASMFNZYBPQPLO-UHFFFAOYSA-N 277.393 3.745 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccccc1 9961027 SYGQCIJZXHYIHO-AWEZNQCLSA-N 268.360 3.589 0 40 CHAB CCC[C@H](C)N(C)Cc1c[nH]nc1-c1ccccc1F 506995253 QXWPAKVNGICOPP-LBPRGKRZSA-N 275.371 3.836 0 40 CHAB CC[C@H]1CN(Cc2ccc(-c3ccccc3)cc2F)C[C@@H]1O 507809400 XNZMUGNVZYUCDN-LIRRHRJNSA-N 299.389 3.695 0 40 CHAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@H]2O 123391891 MGZZPWXYQSLHGQ-IDBRTZOQSA-N 292.463 3.751 0 40 CHAB CCc1cccnc1-c1noc([C@H](F)Cc2ccccc2)n1 545713682 AFDHCFRNGWGHLN-CQSZACIVSA-N 297.333 3.947 0 40 CHAB CCOC(=O)c1nc(-c2cccc(Cl)c2)cs1 38438394 CLCNYKVFWAZYGD-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB O=C(O)c1ccc(C(F)(F)F)nc1-c1cccc(F)c1 47205266 JXZWWHHWHJYTDM-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB CCCNCc1cc(C)n(Cc2ccccc2)c1C 223661481 OFZDQKVYYPTNPM-UHFFFAOYSA-N 256.393 3.653 0 40 CHAB O=C(Nc1ccccc1)c1cnc(-c2ccc(F)cc2)nc1 137484034 NPVIMKMVCZZRCG-UHFFFAOYSA-N 293.301 3.535 0 40 CHAB Cc1cc(NC(=O)C(F)(F)F)ccc1OC1CCCC1 225588514 VKELAWSDEQCEKA-UHFFFAOYSA-N 287.281 3.817 0 40 CHAB CSc1ccc(CNCc2cccc3cn[nH]c23)cc1 84017384 APDAFSJURGATSU-UHFFFAOYSA-N 283.400 3.575 0 40 CHAB CCn1nccc1-c1cc(C2CCN(C(C)C)CC2)ccn1 257325113 WRNBHEZGPCAHFY-UHFFFAOYSA-N 298.434 3.553 0 40 CHAB C[C@]12CC[C@H](N)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 253500992 WMEBIWWUBWHAOJ-ZYPGRWQASA-N 291.479 3.717 0 40 CHAB CCOC(=O)Oc1ccc(Br)cc1Cl 1772820774 QLTHWFAACJHRTQ-UHFFFAOYSA-N 279.517 3.638 0 40 CHAB CC(=O)Nc1cccc(NCCSCC(C)C)c1C 95454339 ASDROIZSSUICSV-UHFFFAOYSA-N 280.437 3.755 0 40 CHAB Cc1cc(C)[n+](Cc2ccc(Br)cc2)c(C)c1 1857787631 PIFOWPAXLLIHRB-UHFFFAOYSA-N 291.212 3.710 0 40 CHAB O=C(CCCOc1ccccc1)OCc1ccc(F)cc1 5550072 DRVSZTGYMTZXAY-UHFFFAOYSA-N 288.318 3.728 0 40 CHAB Cc1ccc(/C=C/C(=O)NCCc2ccc(F)cc2)cc1 6305245 CKKAEDHYGFANBT-DHZHZOJOSA-N 283.346 3.506 0 40 CHAB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccncc1 31806492 LIDUSXAQNRJUEG-HNNXBMFYSA-N 286.400 3.804 0 40 CHAB CC(C)c1nnc(NC(=O)c2cc3ccccc3o2)s1 34221 BDGLMMJQDJGLHH-UHFFFAOYSA-N 287.344 3.660 0 40 CHAB CC[C@@H](Cl)C(=O)c1c(F)cc(Br)cc1F 379987805 WBPFSOQRPJQBLV-ZCFIWIBFSA-N 297.526 3.927 0 40 CHAB Cc1cc(O)n2nc(-c3ccc(C(C)(C)C)cc3)cc2n1 101711993 NSGAJGHDAKTKGX-UHFFFAOYSA-N 281.359 3.708 0 40 CHAB COc1ccc(-c2cc(=O)c3cccc(C)c3o2)cc1 57694 GDJHGJSTQODXMC-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB biogenic CCO/C(C)=C/c1sc2ccc(OC)cc2[n+]1CC 318013 YHYYGBVMLHYDTC-PKNBQFBNSA-N 278.397 3.615 0 40 CHAB CSc1cccc(NC(=O)COc2ccc(C)cc2)c1 362754 HZNSTLXVGKPBFL-UHFFFAOYSA-N 287.384 3.734 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)Nc1cccnc1Cl 579876 JLINVMJHQABVAX-ZDUSSCGKSA-N 290.750 3.531 0 40 CHAB O=C(O)[C@@H](CC[C@H](C(=O)O)c1ccccc1)c1ccccc1 1688202 ZEUFEFSWMUFREP-HOTGVXAUSA-N 298.338 3.503 0 40 CHAB c1ccc(Cn2cnc3c4cccnc4ccc32)cc1 1720137 RFPPPUIRSFCRQH-UHFFFAOYSA-N 259.312 3.633 0 40 CHAB O=C(O)CCCCCCC(=O)c1ccc(Cl)cc1 2378615 WNTCKEYDUDCLSD-UHFFFAOYSA-N 268.740 3.948 0 40 CHAB CCOC(=O)CCC(=O)c1cccc(Cl)c1Cl 2580333 BCBHDQZVFWUZRW-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB Cc1nn(Cc2cccc3ccccc23)c(Cl)c1C=O 2650187 XHWGTZCFCCXPKL-UHFFFAOYSA-N 284.746 3.859 0 40 CHAB CCc1c(C)sc(NC(=O)C2CCCC2)c1C(=O)OC 2741754 FORGBVQGRAIRNJ-UHFFFAOYSA-N 295.404 3.534 0 40 CHAB CCCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 3234766 CPXTXFGDVGPSMJ-SFHVURJKSA-N 282.339 3.954 0 40 CHAB CSc1nnc(Nc2cccc(C)c2C)s1 3452738 ZUMGJVBBXJQCKS-UHFFFAOYSA-N 251.380 3.620 0 40 CHAB COc1ccc(NC(=O)c2ccc(C)cc2)cc1Cl 3472229 OGBSMBPMKFQMIU-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB COc1ccc(NC(=O)CC2CCCC2)cc1Cl 3472267 XJRRMGZTKCUOEC-UHFFFAOYSA-N 267.756 3.867 0 40 CHAB CC1(C)C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)C1=O 4751444 NUIJVOVPORDSSK-CVEARBPZSA-N 294.350 3.664 0 40 CHAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 6356020 GLMUKGCJYWVWMM-AVMBBCFPSA-N 291.372 3.530 0 40 CHAB NC(=O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 7022505 PCAULJLMXRPMHR-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccccc1F 7402813 DXQLNRSPIOFYNY-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8040727 WNEGSUHOCJWPCL-CQSZACIVSA-N 299.370 3.718 0 40 CHAB Cc1ccc(C)c(C(=O)NC[C@@H](C)c2ccccc2)c1 8168461 KMSAPTUPEXKZHF-OAHLLOKOSA-N 267.372 3.837 0 40 CHAB O=Cc1ccc(OCCOc2ccccc2Cl)cc1 8728468 UUMWMCSOTPXQAQ-UHFFFAOYSA-N 276.719 3.610 0 40 CHAB CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 9816740 XEFMQFNVDQMHIR-CQSZACIVSA-N 299.370 3.800 0 40 CHAB O=C(NCC1(c2ccccc2)CC1)Nc1ccc(F)cc1 10258914 LTJIBPDTANVMPO-UHFFFAOYSA-N 284.334 3.679 0 40 CHAB Cc1ccc(CCC(=O)NCCSC(C)(C)C)cc1 10357269 UVFOGRMHIFACHT-UHFFFAOYSA-N 279.449 3.576 0 40 CHAB Cc1ccc(NC(=O)N(Cc2ccco2)C2CC2)cc1 12976126 XKRNWQDQWAMEMD-UHFFFAOYSA-N 270.332 3.785 0 40 CHAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)C 13708805 WLZZUAMYSGGSGQ-GFCCVEGCSA-N 271.360 3.522 0 40 CHAB c1ccc2c(c1)CO[C@H](c1ccc3ncccc3c1)N2 14000556 QBVHGWCYRHHCHQ-QGZVFWFLSA-N 262.312 3.876 0 40 CHAB Nc1ccc(OCC2CCCC2)c(C(F)(F)F)c1 14630156 VWQCKDQSZPZAMZ-UHFFFAOYSA-N 259.271 3.857 0 40 CHAB Cc1cccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)c1 17135525 QERFYXRYNRCBRR-UHFFFAOYSA-N 292.298 3.695 0 40 CHAB C[n+]1ccc(/C=C\c2csc3ccccc23)cc1 17423089 WJJQXHCDALWWAE-SREVYHEPSA-N 252.362 3.896 0 40 CHAB COc1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 23235083 ZYUAYGXXQREZAV-UHFFFAOYSA-N 296.370 3.549 0 40 CHAB Cc1csc(SCC(=O)c2ccc(F)cc2)n1 30951391 AZXWMGUKELCXMQ-UHFFFAOYSA-N 267.350 3.566 0 40 CHAB CCc1sc(C(=O)N2CCn3cccc3[C@H]2C)cc1C 32787018 IWHNITAQZCRPHZ-GFCCVEGCSA-N 288.416 3.637 0 40 CHAB CC(C)CCNC(=O)COc1ccccc1-c1ccccc1 32958265 DWHHCKOYQFTESE-UHFFFAOYSA-N 297.398 3.895 0 40 CHAB CC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 36303650 MPHQUZXOSKQCTN-UHFFFAOYSA-N 252.313 3.906 0 40 CHAB Cc1[nH]c2ccc(Cl)cc2c1CCNCc1ccccn1 36657780 GYGLIHNWANELLZ-UHFFFAOYSA-N 299.805 3.857 0 40 CHAB CCOc1cccc(C=O)c1OCc1ccccc1F 36672335 WFWWTYWNMMHMDZ-UHFFFAOYSA-N 274.291 3.616 0 40 CHAB CCCc1ccc(Oc2ncccc2C(=O)O)cc1 40451283 DPQXGFHFZQUMTA-UHFFFAOYSA-N 257.289 3.525 0 40 CHAB Cc1ccc(C(=O)c2ccc(C3OCCO3)cc2)cc1C 43212654 RBRCREWCYRZJEZ-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB O=C(O)CCCCCC(=O)c1ccc(Cl)cc1F 43214162 ODWVPJSUSLWLEG-UHFFFAOYSA-N 272.703 3.697 0 40 CHAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)CCC2 53389374 OVPVOPKPXDBQFY-ZDUSSCGKSA-N 297.373 3.734 0 40 CHAB Cc1cc2ncn(CN(C)Cc3ccccc3F)c2cc1C 58160817 RDVVCXBLIDYVEH-UHFFFAOYSA-N 297.377 3.882 0 40 CHAB CC/C=C(/C)C(=O)Nc1nc2ccc(C)cc2s1 59348218 YXSWQUJNGUXUGK-YHYXMXQVSA-N 260.362 3.900 0 40 CHAB Fc1ccc(-c2cc3c(N4CCCCC4)nccn3n2)cc1 67284946 WSQPZYUPRFUQAQ-UHFFFAOYSA-N 296.349 3.526 0 40 CHAB CN(Cc1ccc(F)cc1)C(=O)Nc1ccc2[nH]ccc2c1 71803334 NWGZDTHRUQOCMX-UHFFFAOYSA-N 297.333 3.971 0 40 CHAB CCOc1cc(C(=O)Nc2nccs2)cc2occc12 72240143 XZHLGTPHXWHCSX-UHFFFAOYSA-N 288.328 3.540 0 40 CHAB COc1cccc(CN2CCCC[C@@H]2c2ccnc(C)n2)c1 72385063 PLBPCXYIYHYZNY-GOSISDBHSA-N 297.402 3.521 0 40 CHAB CC(C)(C)OC(=O)Nc1cccc2c(O)cccc12 75290380 KMIZAYGXAWVSCB-UHFFFAOYSA-N 259.305 3.892 0 40 CHAB Cc1cccc(S(=O)(=O)[C@H](C)c2ccccc2)c1 77647132 IPBBMQPGCJQJJH-CYBMUJFWSA-N 260.358 3.530 0 40 CHAB CCOC(=O)/C(C)=C/Nc1ccc(Cl)cc1Cl 96306085 KALURMSIYBAULL-BQYQJAHWSA-N 274.147 3.872 0 40 CHAB c1cncc(CN2CCCCC[C@@H]2c2ccncc2)c1 97000856 HMPDMIAXXZMTHT-QGZVFWFLSA-N 267.376 3.594 0 40 CHAB CNC(=O)CC12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100864030 NROLQNLNCXUXKL-JZFKGDSASA-N 297.442 3.969 0 40 CHAB Oc1ccnc2c(C(F)(F)F)ccc(Br)c12 102686377 MKWBEOIDVMSFKR-UHFFFAOYSA-N 292.054 3.722 0 40 CHAB CCOC(=O)/C=C1\N[C@@]2(C)CCCC[C@@H]2c2ccccc21 103548158 OZRYCWIDQSCEPD-IKBKNKFLSA-N 285.387 3.610 0 40 CHAB CCOC(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 211079630 NULUYSITIGLVHW-CYBMUJFWSA-N 265.328 3.552 0 40 CHAB Cc1ccc(SC(=O)[C@H](C)Oc2cccc(N)c2)cc1 225402478 SHHQWSJNFCHRNL-LBPRGKRZSA-N 287.384 3.663 0 40 CHAB CC(C)n1nc(C2CC2)cc1CNc1ccn(C(F)F)n1 256051760 KKURLDOVWSSFRT-UHFFFAOYSA-N 295.337 3.545 0 40 CHAB c1cnc2ccc(CN3CCCC[C@@H]3c3ccn[nH]3)cc2c1 257262184 LKLVBKOEFXKMHG-GOSISDBHSA-N 292.386 3.685 0 40 CHAB COc1ccc(C(=O)C(Cl)(Cl)Cl)c(Cl)c1 389413214 RQBIVTPSZAFPHY-UHFFFAOYSA-N 287.957 3.902 0 40 CHAB C[C@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C[C@@H]1C 500251389 QGTGRTWUEZOXHB-STQMWFEESA-N 294.826 3.570 0 40 CHAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccco1 575621136 NQLUYMHEQZTDTR-NSHDSACASA-N 285.368 3.855 0 40 CHAB Cc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 465377 SAYLXKKWYPBLIU-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB CCOc1ccccc1C(=S)NCc1ccc(C)cc1 1443914 TYHAZXUNCCJRFW-UHFFFAOYSA-N 285.412 3.859 0 40 CHAB C[C@@H]1S[C@H](c2ccccc2)N(c2ccccc2)C1=O 1560289 HMZGRFPANBVBFF-BLLLJJGKSA-N 269.369 3.854 0 40 CHAB CNCCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 1596762 DVZMCGNRHJEGHP-NSHDSACASA-N 277.799 3.688 0 40 CHAB CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1640185 IFUKVPUBYUASHC-UHFFFAOYSA-N 251.635 3.707 0 40 CHAB CN1c2ccccc2C[C@H]1c1cn(C)c2ccccc12 1683962 FHTYDKVQMHMJSU-SFHVURJKSA-N 262.356 3.912 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1ccccc1F 2378989 LCNPXEHTWXJZDT-UHFFFAOYSA-N 280.339 3.912 0 40 CHAB Cc1cc(C)nc(NC(=O)C2(c3ccccc3)CCCC2)n1 2512593 FMFAKLQYYABWMQ-UHFFFAOYSA-N 295.386 3.544 0 40 CHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(F)F)c12 2740934 OLBZGFBGYNJJIU-UHFFFAOYSA-N 279.315 3.943 0 40 CHAB O=C(O)[C@H]1/C=C\c2ccc(cc2)CCc2ccc(cc2)C1 4788243 GKYBFAQZOMLALH-JYBLJSLWSA-N 278.351 3.742 0 40 CHAB Cc1cc(F)c(F)cc1C(=O)N1CCCc2ccccc21 4861064 NOPIJTWIGAEOMV-UHFFFAOYSA-N 287.309 3.866 0 40 CHAB CC[C@H](CCc1ccccn1)C(=O)c1ccccc1 5422782 YDQDCIMQGIPQGS-CQSZACIVSA-N 253.345 3.923 0 40 CHAB S=C1NC2=C(CCCC2)[C@H](c2ccccc2Cl)N1 5584256 GRQPHMXMNANXIS-ZDUSSCGKSA-N 278.808 3.687 0 40 CHAB Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccccc1 5724572 BQTKAKZKMSMWIW-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1C 6438907 NRBVTRVZOUGXKU-UHFFFAOYSA-N 272.373 3.501 0 40 CHAB Cc1cccnc1NC(=O)c1ccc2ccccc2c1 7281366 WWVYMNMSEPTBOZ-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB O=C(/C=C/c1cccc2ccccc12)NC1CCCC1 10368052 KPMFGDXVGAWMEZ-OUKQBFOZSA-N 265.356 3.912 0 40 CHAB COc1ccc([C@@H]2CN(c3ccccc3)C[C@@H]2C(C)=O)cc1 12338645 YHIGONDGSZFBNC-MOPGFXCFSA-N 295.382 3.504 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)c1cc2ccccc2s1 12850055 MPQDZYHOJVKUJM-UHFFFAOYSA-N 285.372 3.504 0 40 CHAB COc1ccccc1C1=C(N)Nc2ccccc2N=C1C 13637109 FXNINUUSDPTNMD-UHFFFAOYSA-N 279.343 3.541 0 40 CHAB C[C@@H]1CCCN(C(=O)[C@@H](C)SCc2ccccc2)C1 13649111 ZKSXOSUUPUKLQA-ZIAGYGMSSA-N 277.433 3.567 0 40 CHAB COc1ccnc(N[C@H](C)c2ccc3c(c2)CCCC3)n1 14242767 IFYDCSAOEZISJQ-GFCCVEGCSA-N 283.375 3.537 0 40 CHAB CCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 16130190 LLLCJFTYCPONEP-UHFFFAOYSA-N 295.791 3.703 0 40 CHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)C 17301283 JSJFXTJNVXLPQX-UHFFFAOYSA-N 294.807 3.910 0 40 CHAB CCN(Cc1ccncc1)C(=O)Nc1ccccc1Cl 19074636 YNNLBOIMLOZUFN-UHFFFAOYSA-N 289.766 3.789 0 40 CHAB c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2NCc2cccnc2)cc1 19373732 GWXPQEXEPYMTMU-FCGDIQPGSA-N 278.399 3.754 0 40 CHAB COc1cccc(COc2cccc(Cl)c2C=O)c1 20079262 KOENNNXJMLGQDJ-UHFFFAOYSA-N 276.719 3.740 0 40 CHAB in-vitro COc1ccc(-n2nc(Cl)nc2-c2ccccc2)cc1 22125897 GLQHIYUJCNXCBD-UHFFFAOYSA-N 285.734 3.596 0 40 CHAB COCc1c(C(=O)N(C)c2ccccc2)oc2ccccc12 24068311 ZUWGSTULXZCQAM-UHFFFAOYSA-N 295.338 3.856 0 40 CHAB Cc1cc(S(=O)(=O)Nc2cc(F)ccc2C)c(C)s1 24070161 SZPTVFBJLXKEOD-UHFFFAOYSA-N 299.392 3.613 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)s1 36393529 PMBKCNGYNQSXRW-UHFFFAOYSA-N 283.356 3.699 0 40 CHAB CC(C)C(=O)CCc1ccc(Br)s1 36683802 RJRHNVBBEKWIDN-UHFFFAOYSA-N 261.184 3.668 0 40 CHAB in-vitro CC(C)c1ccc(CCNC(=O)NCc2ccccc2)cc1 40002607 BHJJGVQZIQKBGC-UHFFFAOYSA-N 296.414 3.852 0 40 CHAB C[C@H](NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 41610005 MXUDEADPGZWZCH-QMMMGPOBSA-N 274.191 3.953 0 40 CHAB in-vivo COc1ccc(OCc2c(F)cccc2Cl)c(C=O)c1 42251713 UIYNCQBZAPMIIF-UHFFFAOYSA-N 294.709 3.879 0 40 CHAB Cc1cc(C)cc(N[C@H](C)C(=O)N(C)Cc2ccccc2)c1 57644957 QBDBFCYSIWLFCN-MRXNPFEDSA-N 296.414 3.762 0 40 CHAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC(=O)C2 58200758 VUQQUDLAAJRNMK-XSLAGTTESA-N 270.372 3.817 0 40 CHAB C[C@@H](NC(=O)c1occc1-c1ccccc1)c1cccnc1 58265579 RZFCMZXBSLQPGC-CYBMUJFWSA-N 292.338 3.833 0 40 CHAB Cc1ccccc1CNCc1cc2ccccc2[nH]1 58474457 XPNRDFRFARTREO-UHFFFAOYSA-N 250.345 3.766 0 40 CHAB Cc1cccnc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72211159 BOAUQJOZJZGBKC-ZDUSSCGKSA-N 276.380 3.852 0 40 CHAB CCOc1cc(N)ccc1NC(=O)c1cc2ccccc2o1 73638469 YBHNEZCLOJBANW-UHFFFAOYSA-N 296.326 3.666 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H]2CCCC[C@H]21 89807714 NNPQCMIYDAPREQ-SUMWQHHRSA-N 282.387 3.963 0 40 CHAB CC(=O)Nc1cccc(N[C@@H]2CCOC3(CCCC3)C2)c1 94365888 RBPCQELIKGUQOP-MRXNPFEDSA-N 288.391 3.549 0 40 CHAB Cc1ccc([C@H](C)NCCCCn2ccnc2C)s1 95423163 GETACFBUBKZILI-ZDUSSCGKSA-N 277.437 3.692 0 40 CHAB COC[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccco1 96478958 MUVSSQNOMIUYPW-IINYFYTJSA-N 281.302 3.596 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)o1 103449569 GZIDGWCEDDCBQF-LLABEPJWSA-N 273.376 3.542 0 40 CHAB O=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)[C@H]1CCCC[C@@]21O 105364778 HRLRAZZTFFAGBS-VDCDIQELSA-N 284.399 3.691 0 40 CHAB CCCCn1c(C(=O)O)cc2cc(Br)ccc21 107837172 ZNPYWDMPUGKFJT-UHFFFAOYSA-N 296.164 3.902 0 40 CHAB Cc1c(N)cccc1-c1noc(-c2ccccc2Cl)n1 140284424 SKEYXUWLTFGHJP-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB C[C@H](NC[C@@H]1CCCO1)c1ccc(OC2CCCC2)cc1 225170418 GYUQTINHPPYZEQ-KSSFIOAISA-N 289.419 3.838 0 40 CHAB Cc1cc(C)c(NC(=O)CSc2ccccc2)c(N)c1 226359563 FMWHWHBYIHGBGC-UHFFFAOYSA-N 286.400 3.616 0 40 CHAB O=C(O)c1cnc(/C=C/c2cnc(C3CCC3)s2)s1 348965678 JUGLXZTZJDBXQG-SNAWJCMRSA-N 292.385 3.736 0 40 CHAB CCOc1ncccc1-c1noc(CCC2CCCC2)n1 544481159 IAGGLXITQZYXHU-UHFFFAOYSA-N 287.363 3.653 0 40 CHAB CCCOCCCC(F)(F)C(F)(F)Br 1083807013 PNRZJBHDKLECDD-UHFFFAOYSA-N 281.087 3.816 0 40 CHAB C[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 175255 ZYFARORWTRCJDY-WBMJQRKESA-N 264.328 3.576 0 40 CHAB Cc1ccc(C(=O)Cc2cc3ccccc3oc2=O)cc1C 216788 FWKBEEFHVMUFDH-UHFFFAOYSA-N 292.334 3.835 0 40 CHAB Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 1609260 AFVGAHBUCVDPPI-UHFFFAOYSA-N 286.338 3.670 0 40 CHAB in-vivo CC(=O)N(Cc1cccs1)c1ccc(F)cc1F 79120563 XQWOTJUCWDXZIH-UHFFFAOYSA-N 267.300 3.579 0 40 CHAB C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CO1 4083621 DNQOQHDYFBYTLC-ZOVJDJALSA-N 286.415 3.897 0 40 CHAB biogenic COc1cccc(NC(=O)Nc2nc3ccccc3s2)c1 6647419 USNZNASNLZOEBM-UHFFFAOYSA-N 299.355 3.949 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](C)SCc1ccccc1 6946927 MXQATGSBXVFYKO-STQMWFEESA-N 265.422 3.613 0 40 CHAB COc1cccc(C=O)c1Nc1cc(C)cc(C)c1 8703700 GGSZNOKSXQEKQI-UHFFFAOYSA-N 255.317 3.868 0 40 CHAB O=C(CCCc1c[nH]c2ccccc12)N1CCCCC1 1506620 GGKNFRYBTWITFN-UHFFFAOYSA-N 270.376 3.503 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccccc1 20108256 DLLZSWGJPHRYII-HUUCEWRRSA-N 297.398 3.894 0 40 CHAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999197 GZLMXKGDLFLCCX-DCDXPUDHSA-N 291.822 3.823 0 40 CHAB CC[C@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1 10313784 BWTQWQCHWDMSPO-ZDUSSCGKSA-N 261.409 3.831 0 40 CHAB C(=C/c1ccccc1)\CNc1ccc2c(c1)OCCO2 3416020 MGDYQXNAHHLFFD-QPJJXVBHSA-N 267.328 3.583 0 40 CHAB COc1ccccc1NC(=O)CSc1ccccc1F 3473705 YGNAZANMTZVOEM-UHFFFAOYSA-N 291.347 3.565 0 40 CHAB CCCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 48703901 DMZCNKBFUZDYIR-UHFFFAOYSA-N 278.352 3.612 0 40 CHAB Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1 3897155 MXGUJQFXEFJKLU-UHFFFAOYSA-N 270.376 3.545 0 40 CHAB Cc1cc(-c2sccc2Cl)nc(-n2cccc2)n1 4088697 BWYPXUZHBQEQLA-UHFFFAOYSA-N 275.764 3.958 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC2=O 4023563 LUJVUUWNAPIQQI-KWWJQKEASA-N 284.399 3.863 0 40 CHAB biogenic CCn1c(SC[C@H](O)c2ccccc2)nc2ccccc21 6746135 GHFPVAUFDDJJKU-INIZCTEOSA-N 298.411 3.882 0 40 CHAB O=C(CCc1ccco1)NCc1ccc(Cl)cc1Cl 9314269 WFVGAOXBVSCTLN-UHFFFAOYSA-N 298.169 3.835 0 40 CHAB CCOCCCNCc1ccc(-c2ccc(F)cc2)o1 7524385 CMFKZDHKQZOXLZ-UHFFFAOYSA-N 277.339 3.602 0 40 CHAB OC1=NC(=S)S/C1=C\c1c(O)ccc2ccccc12 17021979 FCDWTZXDSQZIES-GHXNOFRVSA-N 287.365 3.875 0 40 CHAB in-vitro CCOc1ccc(N(C)C(=O)C[C@H](C)n2cccc2)cc1 89991120 CDFTVRNCYILOOC-AWEZNQCLSA-N 286.375 3.501 0 40 CHAB CCCNC(=O)N1CCC[C@@H]1c1ccccc1Cl 36621027 PRZAEIRWRSGPPW-CYBMUJFWSA-N 266.772 3.597 0 40 CHAB CC[C@@H](C)NCc1ccc(OCC(C)C)c(OC)c1 32114238 LTFQRZYFUWUXRO-CYBMUJFWSA-N 265.397 3.618 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O 34051634 CBMYJHIOYJEBSB-ULTMTAQRSA-N 292.463 3.751 0 40 CHAB endogenous,in-man CCN1CCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 72219151 DQUPOMYJQNNXPT-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccoc1 72221632 RRSMHEXCMOQOLT-OAHLLOKOSA-N 255.317 3.647 0 40 CHAB Cc1ccc(C)c(Nc2ccc(C(=O)NC(C)C)cc2N)c1 225418828 IXGRVVVVERTRTC-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccccc2N)o1 226304751 CAXORRDQOLORHX-CHWSQXEVSA-N 298.386 3.932 0 40 CHAB Cc1cc(C)c2oc(-c3ccc(OCC(=O)O)cc3)nc2c1 226295385 VDPOJBBGSAOIHI-UHFFFAOYSA-N 297.310 3.575 0 40 CHAB COc1ccc(CC(F)(F)F)cc1Br 259425456 OTEGFNJBFJFEEB-UHFFFAOYSA-N 269.060 3.563 0 40 CHAB Cc1cc(F)cc(C(=O)c2cc(F)c(F)cc2F)c1 95916978 SILWKFRSSLSKIQ-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB O=C(Nc1cccc(-n2cccn2)c1)N1CCCCCCC1 48555072 XFRPECQSLFAFEB-UHFFFAOYSA-N 298.390 3.670 0 40 CHAB C(=C/c1c(-c2ccccc2)nc2sccn12)\c1ccn[nH]1 4024283 YLKIXQUPYKAWAB-VOTSOKGWSA-N 292.367 3.956 0 40 CHAB CC1=C(C)[C@]2(C)[C@@]1(C)[C@@]1(c3ccccc3)N=NN[C@]21C 5757529 LMSJRJZSTYWIJR-YYIAUSFCSA-N 267.376 3.987 0 40 CHAB CCOc1cc2c(cc1[C@@H](C)c1ccc(O)cc1)OCO2 5841447 WKOCPMXZEYOYOU-NSHDSACASA-N 286.327 3.671 0 40 CHAB c1ccc(Oc2ccc3[nH]cc(CCN4CC4)c3c2)cc1 12376805 OVNZAQDCHKVKMB-UHFFFAOYSA-N 278.355 3.818 0 40 CHAB CC(=O)c1cccc(NC(=O)c2ccoc2C(F)(F)F)c1 16739572 YEVVKVNJIGZPJS-UHFFFAOYSA-N 297.232 3.753 0 40 CHAB CC(C)(C)NC(=S)Nc1ccc(C(F)(F)F)cc1 17007519 USMIASRGKKWIFU-UHFFFAOYSA-N 276.327 3.790 0 40 CHAB CCC(CC)C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19500140 UVCOAWAMPMNZMA-OAHLLOKOSA-N 299.418 3.705 0 40 CHAB C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccco1 10201891 FDACZUCKOYRFJN-SECBINFHSA-N 287.344 3.772 0 40 CHAB Clc1ccccc1Nc1ncnc2c1ncn2C1CC1 1888909723 WLSVZIMBQQISMG-UHFFFAOYSA-N 285.738 3.558 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2[nH]ncc2c1 102168823 IMFUMEKCOMLOPY-UHFFFAOYSA-N 289.697 3.608 0 40 CHAB in-vitro CCOc1ccccc1NC(=O)c1cc(F)ccc1F 22566327 JXIHBEQXYMJULD-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB CC[C@H](C)NC(=O)Nc1ccc(Br)c(C)c1 36395942 LIVGIFNOGGMYJU-VIFPVBQESA-N 285.185 3.678 0 40 CHAB COc1ccc(-c2c(-c3ccccc3)noc2N)cc1OC 389470 QUOKUCMYLUIETP-UHFFFAOYSA-N 296.326 3.608 0 40 CHAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)C1CC1 4331235 GZDZCMJGXHRZEB-UHFFFAOYSA-N 287.171 3.952 0 40 CHAB CC(=O)[C@@H](C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 100118243 DWKQHHQWLLPUBI-UYIBLKNYSA-N 288.309 3.539 0 40 CHAB CCc1nc(NC(=O)CCc2ccsc2)sc1C 40118999 NQWZPPSXHNUJHC-UHFFFAOYSA-N 280.418 3.647 0 40 CHAB CC(=O)c1oc2c(C)c3oc(=O)cc(C)c3cc2c1C 52956 JXPOZBDSGJRCGG-UHFFFAOYSA-N 270.284 3.667 0 40 CHAB biogenic C1=C[C@H]2C[C@H]1C[C@H]2CN1CCCC[C@H]1c1cccnc1 101176935 ZBMNRSHEJUKESZ-LAQRGFTBSA-N 268.404 3.821 0 40 CHAB CCc1ccc2ncnc(NCc3ccccc3OC)c2c1 32541103 FYEZYMSDDMQSDZ-UHFFFAOYSA-N 293.370 3.813 0 40 CHAB CC(=O)OC[C@@]12CC[C@@](CCC=C(C)C)(C[C@H]1C)OC2 485594 AXJOCLMFQAZKPU-OIISXLGYSA-N 280.408 3.871 0 40 CHAB biogenic CC[C@@H](C)N1C(=O)N(c2ccccc2)[C@](C)(O)CC1(C)C 491449 SVKHWMUHEZPJOS-CXAGYDPISA-N 290.407 3.604 0 40 CHAB CCOC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 103452 URNAYRDBUUZOIU-LLVKDONJSA-N 258.317 3.515 0 40 CHAB Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 115849 WXXIGOUTTGOBQI-UHFFFAOYSA-N 259.161 3.623 0 40 CHAB O=C1c2ccccc2C[C@@]12O[C@H]2c1ccc(Cl)cc1 163799 UKNPEXALSJHZHE-JKSUJKDBSA-N 270.715 3.589 0 40 CHAB COc1ccccc1[C@@H]1Nc2ccccc2-c2cc(C)nn21 817658 KUCSTLVXRPAHNG-GOSISDBHSA-N 291.354 3.840 0 40 CHAB Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc(F)c1 819108 MVMJPGJHGAKLFX-UHFFFAOYSA-N 299.324 3.977 0 40 CHAB C[C@@H]1C[C@H](NC(=O)c2cccs2)CC(C)(C)C1 1030413 TVPKFTKNVSYTLO-MNOVXSKESA-N 251.395 3.693 0 40 CHAB CCOC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747446 KPHBYKLGXIRBSS-ZCFIWIBFSA-N 297.565 3.977 0 40 CHAB CCC[C@@](C)(C(=O)c1ccccc1)N1CCCCC1 2042015 GTOCZCPMZCJJJG-KRWDZBQOSA-N 259.393 3.914 0 40 CHAB Cc1cccc(C(=O)c2ccccc2CN2CC=CC2)c1 2515873 NIXNGBYMBRZIGH-UHFFFAOYSA-N 277.367 3.598 0 40 CHAB CC(C)[C@H](C)NC(=O)COc1ccc(-c2ccccc2)cc1 2643096 HUCFUQAPVRPRBK-HNNXBMFYSA-N 297.398 3.893 0 40 CHAB O=C(Nc1ccccc1)c1cc(-c2ccccc2)no1 4060168 SZDPGXZEVKVGBJ-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB CCn1c(S)nnc1-c1cc(C2CC2)nc2ccccc12 6519997 DVALRWQTVALZFB-UHFFFAOYSA-N 296.399 3.679 0 40 CHAB CCCN(CC1CC1)c1ncnc2sc3c(c12)CCC3 6602645 NHUBHXUMOVKCIH-UHFFFAOYSA-N 287.432 3.806 0 40 CHAB CCCNCc1ccc(OCCc2ccccc2)c(OC)c1 7262352 PUKNEYZZVFTCOS-UHFFFAOYSA-N 299.414 3.816 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C)on2)c(C)c1 8473533 GEYQDEPNSRVPQB-LBPRGKRZSA-N 290.388 3.719 0 40 CHAB C[C@@H](c1cccs1)N(C)c1ncnc2sccc12 12987874 SIZLQNFGMPMOEF-VIFPVBQESA-N 275.402 3.950 0 40 CHAB Cc1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 13921199 STCHPPMWCWXRIK-UHFFFAOYSA-N 284.290 3.763 0 40 CHAB CCc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 14258542 RSPDNNRYLQRTIV-UHFFFAOYSA-N 283.415 3.804 0 40 CHAB Nc1cc(Br)ccc1OCC1CCCCC1 14630904 AYACYMKRWGZHGL-UHFFFAOYSA-N 284.197 3.990 0 40 CHAB Cc1ccccc1C(=O)NC[C@H](C)c1ccccc1 15744885 NIGHHBFDEJSIAB-AWEZNQCLSA-N 253.345 3.529 0 40 CHAB CC(C)(C)c1cc(NC(=O)Nc2cccc(F)c2)no1 17007724 ZDYHMBOBOBBJDY-UHFFFAOYSA-N 277.299 3.755 0 40 CHAB CN(Cc1cccc(F)c1)C(=O)Cc1c[nH]c2ccccc12 18080434 ASOOVDCFNOXCCC-UHFFFAOYSA-N 296.345 3.508 0 40 CHAB CCOCCCNc1ncc(C(F)(F)F)cc1Cl 21815292 CRVHMOINGNXXNR-UHFFFAOYSA-N 282.693 3.592 0 40 CHAB O=C(O)c1cnc2c(Cl)cccc2c1C(F)(F)F 22156660 UDOLRJDIYYPXHL-UHFFFAOYSA-N 275.613 3.605 0 40 CHAB Cc1ccc(-n2ncc(C(=O)N3CCCCCC3)c2C)cc1 24834880 JCUIBBVTVVDPOV-UHFFFAOYSA-N 297.402 3.505 0 40 CHAB CCCCCCNC(=O)/C=C/c1ccc2ccccc2n1 27089709 DJOLURTWDSUBEM-OUKQBFOZSA-N 282.387 3.945 0 40 CHAB Cc1cccc(C(=O)Nc2cccc(OC3CCCC3)c2)n1 29071304 ZGROECWOWGATNG-UHFFFAOYSA-N 296.370 3.964 0 40 CHAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC1 38771935 FENVLIDBIUQGNR-ZDUSSCGKSA-N 283.824 3.833 0 40 CHAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 38935558 MLOMQHMQTPLWLR-OAHLLOKOSA-N 296.370 3.717 0 40 CHAB Cc1ccc(C(=O)N2CCCc3ccc(F)cc32)cc1F 40117266 YSSCUPQFDNUHIQ-UHFFFAOYSA-N 287.309 3.866 0 40 CHAB Cc1cccc(OCC(=O)N(C)[C@@H]2CCc3ccccc32)c1 42622891 XHHOIQOXEQWPIA-GOSISDBHSA-N 295.382 3.520 0 40 CHAB CC[C@@H]1CCCN(C(=O)Nc2ccccc2-n2cccn2)C1 48151785 BHIZDULIHSQDHZ-CQSZACIVSA-N 298.390 3.526 0 40 CHAB CCc1nc(CC(=O)Nc2ccc(C)cc2)sc1C 48354787 CCLTZUVJIBAZPA-UHFFFAOYSA-N 274.389 3.504 0 40 CHAB Cc1ccc(F)cc1C(=O)c1ccc(F)cc1F 55238585 RAJPEJHDFZWRFE-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB O=C(c1ccccc1)N(Cc1ccccn1)Cc1ccco1 62018003 JTDPDNAJCLJLAQ-UHFFFAOYSA-N 292.338 3.517 0 40 CHAB C[C@H](c1cccc(F)c1)S(=O)(=O)Cc1ccccc1 69622124 LFDGOGZEDMCOSP-GFCCVEGCSA-N 278.348 3.502 0 40 CHAB Cc1c(F)cccc1NC(=O)c1ccc(-n2ccnc2)cc1 73392905 ZQDKUIUCQDXEEX-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2)c(C)c1 75402868 WNFJCZMSYNJIGK-HNNXBMFYSA-N 283.371 3.734 0 40 CHAB Cc1ccc(C)c(CC(=O)N(C)[C@@H](C)c2cccc(O)c2)c1 79051470 GFIUFBXQYFOAEW-HNNXBMFYSA-N 297.398 3.771 0 40 CHAB O[C@H](c1ccc(Br)cc1F)C1CCCC1 82676933 NYSNCFKDCAKEJX-LBPRGKRZSA-N 273.145 3.812 0 40 CHAB CCc1n[nH]c(NCc2cn[nH]c2-c2cccc(C)c2)c1C 83817402 FCFCPTYUXHWFDN-UHFFFAOYSA-N 295.390 3.591 0 40 CHAB CCc1ccccc1C(=O)c1c(F)cc(F)cc1F 89064245 YARCURXZKAQKPF-UHFFFAOYSA-N 264.246 3.897 0 40 CHAB COCc1nc(CSCc2ccccc2OC)cs1 89420407 HLBHPZGCRZZJBK-UHFFFAOYSA-N 295.429 3.732 0 40 CHAB Oc1ccc2cc(Br)ccc2c1Cl 90411191 VBWQIAWVZHISLP-UHFFFAOYSA-N 257.514 3.961 0 40 CHAB C[C@@H]1CCC[C@@H](OC(=O)c2csc([C@@H]3CCCO3)n2)C1 95440702 YBEFTGFFYUMQSQ-WZRBSPASSA-N 295.404 3.730 0 40 CHAB COc1c(C)cc(C(=O)C(F)(F)C(F)(F)F)cc1C 95730855 IGSDOBQISOCSBA-UHFFFAOYSA-N 282.208 3.692 0 40 CHAB COc1ccc(C)cc1[C@H](C)NCc1nccn1C(C)C 95984325 VBCZSTVMKLQECB-AWEZNQCLSA-N 287.407 3.632 0 40 CHAB CC12C3[C@H]4C[C@H]5C6[C@@H]7C[C@@H]3[C@H]3[C@H]7[C@H]7C(C8[C@H]([C@@H]5[C@@H]4[C@H]81)[C@@]67C)[C@H]32 104294440 GIOLPCYFILVKLC-BJVGIKSMSA-N 290.450 3.774 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 105667315 RDPYUJVATKZBIE-LEUOFYLZSA-N 285.431 3.950 0 40 CHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC(c2ccc(O)cc2)CC1 105946101 NSWSUBGJGLCPHW-OWQGQXMQSA-N 299.414 3.534 0 40 CHAB CCOC(=O)c1sc(Nc2c(C)cccc2C)nc1C 223452146 BVXVEOCTXITLJG-UHFFFAOYSA-N 290.388 3.989 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccc2sncc2c1 225173210 DEADKPHRUPOZPX-SECBINFHSA-N 279.434 3.771 0 40 CHAB CC[C@H](C)Nc1nc(N[C@H](C)CC)nc(N[C@H](C)CC)n1 255189172 OEPDXZREYVLSAP-UTUOFQBUSA-N 294.447 3.503 0 40 CHAB Cc1cccc(Oc2ccc([C@H]3CCCCN3)cn2)c1 257197941 OBLXLISZKREQEI-MRXNPFEDSA-N 268.360 3.997 0 40 CHAB NC1(c2ccc3cccc(Br)c3c2)CC1 258487618 KCJXFRIRKXCTHT-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB Cc1cccc(-c2n[nH]c([C@@H](C)c3ccccc3)n2)c1 642882509 FSTYYOABYCSNJC-ZDUSSCGKSA-N 263.344 3.932 0 40 CHAB CCc1[nH]c2cccc(C(F)(F)F)c2c(=O)c1CC 685938354 JEPVNUIMPQMPGL-UHFFFAOYSA-N 269.266 3.672 0 40 CHAB CCn1cnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 148086 AJLQAGKYEPWVGP-SNVBAGLBSA-N 290.432 3.629 0 40 CHAB CC[C@@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 304635 ASNFKFSUHGOHQZ-OAHLLOKOSA-N 295.448 3.565 0 40 CHAB O=c1sc2cccc(Cl)c2n1Cc1ccccc1 404881 PVEZXPIPPSJLMD-UHFFFAOYSA-N 275.760 3.765 0 40 CHAB Cc1cc(C)n([C@@H]2CCCC[C@H]2OC(=O)c2ccccc2)n1 552184 HERYUPICABEHNB-IAGOWNOFSA-N 298.386 3.841 0 40 CHAB CC(C)(C)c1ccc(NC(=O)c2ccncc2)cc1 2650790 VKAFLXAFYZGLHX-UHFFFAOYSA-N 254.333 3.631 0 40 CHAB Cc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)s1 3373267 WXLKSWVXVOKVCZ-JYRVWZFOSA-N 287.315 3.540 0 40 CHAB COc1cc2c(cc1OCc1ccccc1)[C@@H](C)N(C)CC2 3847231 MNDZGPSZJCVZEO-CQSZACIVSA-N 297.398 3.823 0 40 CHAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@H]1CCCCC1=O 3852306 SIAFUAYUXXTABY-HOSILWTGSA-N 295.423 3.685 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC1=NN=C(c2ccccc2)CS1 6930340 OZHGISCQMWQCGM-OCCSQVGLSA-N 287.432 3.662 0 40 CHAB C[C@H]1CCCC[C@H]1NC1=NN=C(c2ccccc2)CS1 6932551 OZHGISCQMWQCGM-GXTWGEPZSA-N 287.432 3.662 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccccc2Cl)s1 7995387 ZPGPQULTBKOBQV-UHFFFAOYSA-N 266.753 3.666 0 40 CHAB CCc1cccc2c(C(=S)N3CCCCC3)c[nH]c12 8088020 NUKBRAOWYBDAKE-UHFFFAOYSA-N 272.417 3.892 0 40 CHAB CC(C)(C)c1ccc(NC(=O)c2cccnc2)cc1 8184233 MMJKRFUXYVYTGK-UHFFFAOYSA-N 254.333 3.631 0 40 CHAB CCOc1cc(CNCC(C)C)cc(Cl)c1OCC 8253875 QRLRBYHEFFKHSP-UHFFFAOYSA-N 285.815 3.883 0 40 CHAB O=C(Nc1ccc(Cl)cc1F)c1ccsc1 9256832 RWEWBOZZCLXAIZ-UHFFFAOYSA-N 255.701 3.793 0 40 CHAB Cc1ccccc1NC(=O)c1cnc2c(cnn2C(C)C)c1 11764823 ISBGQNRYTFODMU-UHFFFAOYSA-N 294.358 3.573 0 40 CHAB CC(=O)Nc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 11865369 JRCFVLZISBNAAC-UHFFFAOYSA-N 293.322 3.727 0 40 CHAB Cc1ccc(CSCCNC(=O)C2CCCCC2)cc1 13716890 FKQNASXSHUQULE-UHFFFAOYSA-N 291.460 3.925 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccc(CC)cc1 13821439 PSSKXZMLKIUXBF-LLVKDONJSA-N 250.411 3.724 0 40 CHAB Cc1ccsc1CN(Cc1sccc1C)C[C@H](C)O 13991513 AMMIRMZXVDDNBN-ZDUSSCGKSA-N 295.473 3.809 0 40 CHAB CC1(C)[C@@H]2CC[C@@]3(C)OC(=O)N(N1c1ccccc1)[C@@]23C 14987395 NSUOGCYPVWQKRF-XKQJLSEDSA-N 286.375 3.580 0 40 CHAB COC(=O)CCc1nc2ccc3ccccc3c2s1 16756820 UZAFKVMICWJBTN-UHFFFAOYSA-N 271.341 3.555 0 40 CHAB CC1(C)Cc2ccccc2/C(=C/C(=O)Nc2cccs2)N1 17950539 BRZLFNXCORLNMQ-UVTDQMKNSA-N 298.411 3.652 0 40 CHAB Cc1cc(N)ccc1NC(=O)c1ccc(OCC(C)C)cc1 19736401 IMIHSGGNBHEELE-UHFFFAOYSA-N 298.386 3.864 0 40 CHAB Oc1cccc(CN[C@@H]2CCCc3ccccc32)c1 20133746 JQDFHMUJLQSCBU-QGZVFWFLSA-N 253.345 3.559 0 40 CHAB C[C@H]1c2ccsc2CCN1C[C@@H](O)c1ccccc1F 26908488 XVNKBBUKWDENTD-XHDPSFHLSA-N 291.391 3.540 0 40 CHAB CCOC(=O)c1ccc(COc2ccc(C)c(C)c2)o1 30835798 LTUUPNVAPKACQA-UHFFFAOYSA-N 274.316 3.652 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCC1 32787292 KDWLCZMXTRVLSN-JTQLQIEISA-N 251.757 3.660 0 40 CHAB Cc1occc1C(=O)N1CCC(c2ccccc2)CC1 32908572 GMRHFKHQJCCRRN-UHFFFAOYSA-N 269.344 3.608 0 40 CHAB O=S(=O)(/C=C/Cc1ccccc1)c1ccc(Cl)cc1 40488437 NSYSURBDUHZKRV-UUILKARUSA-N 292.787 3.870 0 40 CHAB C[C@H](Sc1ccccn1)c1nc(-c2ccco2)no1 40501964 BXFOERFRIRPAJX-VIFPVBQESA-N 273.317 3.578 0 40 CHAB CC(C)(C)CC(C)(C)c1ccc(OC2CNC2)cc1 42769991 AMQAEMXSVAJUQV-UHFFFAOYSA-N 261.409 3.751 0 40 CHAB Clc1cccc(OCCC2CCNCC2)c1Cl 42772228 SZKHFQMXJOEHNN-UHFFFAOYSA-N 274.191 3.762 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)o2)o1 42811580 XPDNYQQASTXQNK-VXGBXAGGSA-N 276.336 3.611 0 40 CHAB CCN(Cc1cc(Br)cs1)C(C)C 43687001 ZUZMOYGVAPHYRT-UHFFFAOYSA-N 262.216 3.741 0 40 CHAB NC(=O)/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1 45016356 XDQNMHOTGFYVBU-ALCCZGGFSA-N 282.126 3.752 0 40 CHAB CSc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 47464557 XQPFYRDPRYTVBJ-RYUDHWBXSA-N 263.406 3.527 0 40 CHAB C[C@H](CC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 50822261 ZBQVMTKUFJJTKG-OAHLLOKOSA-N 294.398 3.766 0 40 CHAB CCOc1ccc([C@H]2CCCCN2CC(C)C)cn1 72211802 IBZRYTVPMNLIRI-OAHLLOKOSA-N 262.397 3.663 0 40 CHAB CCCNc1ncccc1[C@H]1CCCN1CC(C)C 72213138 DLTCATKIGLNMNP-OAHLLOKOSA-N 261.413 3.696 0 40 CHAB FC(F)(F)c1ccc(-c2c[nH]nc2[C@@H]2CCCNC2)cc1 72379966 JVMCJODKCQOQOG-LLVKDONJSA-N 295.308 3.563 0 40 CHAB CCOc1ccc([C@@H]2CCCN2C(=O)/C=C/SC)cc1 75107574 SIZXQUQKIJMNPY-PABFRNLHSA-N 291.416 3.626 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nc2cn3ccccc3n2)cc1 75302260 SOIJCBSQJHUKAG-UHFFFAOYSA-N 293.370 3.884 0 40 CHAB COc1cc(/C=C/c2ccccc2)cc(OC(C)=O)c1 87493016 IJXZGYLGHOYXMS-CMDGGOBGSA-N 268.312 3.791 0 40 CHAB biogenic CCc1n[nH]c(S[C@@H](C)c2ncc(C(C)(C)C)o2)n1 89279899 XEURHVIUWCJYID-QMMMGPOBSA-N 280.397 3.506 0 40 CHAB Cc1ccc(CNCCSC(F)(F)C(F)(F)F)cc1 95918341 QDYBBBVAZKWOHG-UHFFFAOYSA-N 299.308 3.973 0 40 CHAB CC[C@@H]1CCC[C@@H](N[C@@H](C)C(C)(C)CN(C)C)C1 95940735 BLKAIVWFSBZCFP-RRFJBIMHSA-N 254.462 3.521 0 40 CHAB COc1ccc(CN[C@@H](C(C)(C)C)C(F)(F)F)cc1F 95995977 LLIRXHVBBGDVIL-LBPRGKRZSA-N 293.304 3.901 0 40 CHAB c1ccc(CCCNc2nnc(-c3ccccn3)s2)cc1 95997069 OPPIYOQYEAAKHY-UHFFFAOYSA-N 296.399 3.645 0 40 CHAB C[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(C2CC2)n1C1CC1 97103350 ONURQICLVRDFQL-DOMZBBRYSA-N 288.439 3.501 0 40 CHAB Cc1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1Cl 102592873 DOGDBBHAXPJGES-OASPWFOLSA-N 291.778 3.574 0 40 CHAB CCc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104610906 VAYHKWFRMUZTGZ-CXTCDGGRSA-N 299.414 3.519 0 40 CHAB Cc1c(C=O)c2cc(O)ccc2n1CCc1ccccc1 217769240 CJVXEMPADPKHMC-UHFFFAOYSA-N 279.339 3.711 0 40 CHAB Cc1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)cc1 225019795 MJRCEDVFHDGRPA-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB CCCCc1ccc(C[C@H](OCC(C)C)C(=O)O)cc1 225130128 IMVBITYYHUCDJC-INIZCTEOSA-N 278.392 3.698 0 40 CHAB CCCNC(=O)c1cc(N)ccc1Nc1ccccc1CC 225466390 WZCHRDYBAGYIHD-UHFFFAOYSA-N 297.402 3.715 0 40 CHAB CC[C@@H](C)n1ccc(NCc2cnn(C(C)C)c2C)n1 256053427 RLKLQINVTQRIJE-GFCCVEGCSA-N 275.400 3.552 0 40 CHAB CC(=O)N[C@@H]1C[C@H](c2ccc(C)s2)O[C@@H]2CCCC[C@@H]12 257235831 GZSQMAURICAUFH-GBJTYRQASA-N 293.432 3.581 0 40 CHAB O=C(Cc1cccc2ccccc12)N1CCC(CF)CC1 295505187 CICKWGXTWYEZSU-UHFFFAOYSA-N 285.362 3.590 0 40 CHAB Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1F 302765767 DYCRFMKNSGWTFA-RUDMXATFSA-N 273.282 3.925 0 40 CHAB CO[C@@H]1CN(C2CCCC2)CC[C@@H]1Cc1ccccc1F 1615082721 KASQUIUJFRKPEK-CRAIPNDOSA-N 291.410 3.648 0 40 CHAB Cc1cn(Cc2ccc(C(F)(F)F)cc2)c(C)c1C(=O)O 1857524135 RZBFQNSNLORSFU-UHFFFAOYSA-N 297.276 3.870 0 40 CHAB O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1 235082 KHKLTJUWNXJNST-OAHLLOKOSA-N 294.272 3.710 0 40 CHAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cccs2)C1 300369 SWEDMORAHBXTJR-NHYWBVRUSA-N 263.406 3.789 0 40 CHAB Cc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 467813 PUOKFGFSKDLUKS-MSOLQXFVSA-N 285.387 3.719 0 40 CHAB Cc1cc2nc(NCc3ccccc3)c3ccccc3n2n1 8824883 XCSAJHKPXRREAU-UHFFFAOYSA-N 288.354 3.803 0 40 CHAB Cc1cc(C(=O)NCCc2ccccc2)c2ccccc2n1 3038618 RBTHWRSFGKRIBY-UHFFFAOYSA-N 290.366 3.516 0 40 CHAB Cc1cccc(OCc2cccc(C(=O)O)c2)c1C 8729640 CHPWCDTZGVHMJM-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB CS[C@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 42940653 FNRZMELWRPKLNA-ZWNOBZJWSA-N 283.462 3.847 0 40 CHAB CC1(c2ccc3noc(-c4cccs4)c3c2)OCCO1 1402995 IYWVGEAJNLBUMH-UHFFFAOYSA-N 287.340 3.776 0 40 CHAB O=C(c1ccco1)N(c1ccccn1)C1CCCCC1 3230559 QCEXNAXHQMAGKK-UHFFFAOYSA-N 270.332 3.654 0 40 CHAB CCCCCn1cnc2sc3c(c2c1=O)CCCC3 1772837 VBGQGOVGQHKZJK-UHFFFAOYSA-N 276.405 3.527 0 40 CHAB FC(F)(F)[C@@H]1C[C@H](c2ccccc2)Nc2ccnn21 100774104 RKHNOQLBCDXICF-MNOVXSKESA-N 267.254 3.543 0 40 CHAB COCCN(CC(C)C)C(=O)Nc1ccc(C)cc1Cl 58198071 JPEXJHMPRDNBQB-UHFFFAOYSA-N 298.814 3.785 0 40 CHAB Cc1ccc2nc(N[C@@H]3OC(=O)c4ccccc43)sc2c1 27662416 ZNQYTGWOBMDXMY-CQSZACIVSA-N 296.351 3.886 0 40 CHAB Cc1nc(SCC(=O)c2ccccc2)sc1C 10369293 FMCYUACQIKHGLA-UHFFFAOYSA-N 263.387 3.735 0 40 CHAB Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1 46169296 JZJPDBHSDBHCDL-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB O=C1CCCC[C@H]1C(=O)c1cccc(C(F)(F)F)c1 3529889 BWYSLFSOJBJMDK-LLVKDONJSA-N 270.250 3.647 0 40 CHAB CN(Cc1ccco1)C(=O)c1cc2ccccc2s1 12977022 BUASBSGLSBYPIB-UHFFFAOYSA-N 271.341 3.767 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cn1 12979064 HFUKVIUBLZYSBR-UHFFFAOYSA-N 296.370 3.964 0 40 CHAB C[C@@H]1CCCN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 4185403 UIMQZAVFCDNWAF-JFGNBEQYSA-N 290.234 3.836 0 40 CHAB Cc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 6218432 QRPCGZJYJCTGJA-UHFFFAOYSA-N 291.297 3.526 0 40 CHAB CC(C)c1ccc(CCNC(=O)c2ccccc2)cc1 14180882 NALWQUTXZXOBDQ-UHFFFAOYSA-N 267.372 3.783 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1nnc(C(C)C)s1 4558848 PKPAADPFGPJLHP-JTQLQIEISA-N 269.414 3.816 0 40 CHAB CC(=O)Nc1ccc(C)c(N[C@H](C)CC2CCOCC2)c1 97095359 WHBOCXBRJZTQEN-CYBMUJFWSA-N 290.407 3.571 0 40 CHAB Clc1nnc(NCc2ccccc2)c2ccccc12 5683202 SPVAQTODVZCKSM-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB CCc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1 15389211 GFPOFYMSPPISDS-GFCCVEGCSA-N 271.335 3.879 0 40 CHAB Cc1c(C)n(CC(C)C)c2ncn3nc(CC(C)C)nc3c12 9419284 SUHKSMLKCBXHDZ-UHFFFAOYSA-N 299.422 3.550 0 40 CHAB CCn1ccnc(Oc2ccc(-c3ccccc3)cc2)c1=O 90998015 VACRKCBPLLAMCR-UHFFFAOYSA-N 292.338 3.723 0 40 CHAB COc1ccc(F)cc1COc1nc(C)nc2ccccc12 8391935 WEONLZFWLQLRFZ-UHFFFAOYSA-N 298.317 3.665 0 40 CHAB Cc1occc1C(=O)Nc1cc(F)cc(N2CCCC2)c1 69490652 FQKDGELTIBKREC-UHFFFAOYSA-N 288.322 3.580 0 40 CHAB CSCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 8778607 LMTJHRZKHYVWRZ-UHFFFAOYSA-N 297.383 3.531 0 40 CHAB Cc1ccnc(SCc2ccc(F)c3cccnc23)n1 84250925 BYRWQKVHSWNXOQ-UHFFFAOYSA-N 285.347 3.765 0 40 CHAB CC[C@@H](C)OCC(=O)Nc1cc(C(C)C)c(O)cc1C 95434324 BJSVRCZRHMZHLF-GFCCVEGCSA-N 279.380 3.578 0 40 CHAB CC(C)=CCC[C@@H](C)NC[C@H]1CC(=O)Nc2ccccc21 95968957 NYDHJPKWLPNRSI-HUUCEWRRSA-N 286.419 3.837 0 40 CHAB CCSc1ccccc1OCc1nccn1C(F)F 89275354 XKTAUKXFHOYXAL-UHFFFAOYSA-N 284.331 3.969 0 40 CHAB FC(F)(F)c1nc(Cl)c2ccc(Cl)cc2n1 34526020 VOLWFALKXYRXFH-UHFFFAOYSA-N 267.037 3.955 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCCCC1 30855444 XOSKMPIQFSFUJD-ZDUSSCGKSA-N 281.783 3.510 0 40 CHAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1 36623480 RKZQJYWMEDYYKV-GJZGRUSLSA-N 297.398 3.894 0 40 CHAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCCN1C 72219235 QAIJQHZQPHXPMR-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB CC(C)C(=O)Nc1ccc2[nH]c3ccccc3c2c1 33967032 YFBUIOINKICJCA-UHFFFAOYSA-N 252.317 3.916 0 40 CHAB OCc1cn(Cc2cccc(Cl)c2)c2ccccc12 71316087 LPIARNOLFFSUSO-UHFFFAOYSA-N 271.747 3.835 0 40 CHAB CC(C)c1nc(-c2ccc3c(c2)CNCC3)cs1 72226555 FUQCXTKKLWTATK-UHFFFAOYSA-N 258.390 3.579 0 40 CHAB CC[C@H](C)N[C@H](C)c1ccc(Br)s1 38001602 YSUVURQIWGMWJH-JGVFFNPUSA-N 262.216 3.960 0 40 CHAB CNc1ccc([C@H]2CCCN2Cc2ccccc2)c(C)n1 72219090 BFVRLGVVVMKXLJ-QGZVFWFLSA-N 281.403 3.769 0 40 CHAB CC[C@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 36562634 NOWOAVIYYGYKIY-BJRSVTDJSA-N 295.382 3.976 0 40 CHAB CC(C)c1ccc(OCCNC(=O)c2cccs2)cc1 48355570 QQEFYBUMNNXODU-UHFFFAOYSA-N 289.400 3.680 0 40 CHAB Cc1c(Cl)cnc(NC(=S)NC(C)(C)C)c1Cl 223881050 WBEXIQWMFKTNQK-UHFFFAOYSA-N 292.235 3.782 0 40 CHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCCCC2)c1 49890975 JNFHDVKLMXYAQO-OAHLLOKOSA-N 289.419 3.898 0 40 CHAB O=C(O)/C=C/c1cccn1-c1ccc(C(F)(F)F)cc1 44201382 XJDSBNPOPIBDFX-BQYQJAHWSA-N 281.233 3.594 0 40 CHAB O=C(Nc1cccc(Cl)n1)c1ccc(Cl)cc1 89228936 KQEKUTWBVYAJDZ-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1ccc(CNc2cc(C)ccc2N2CCOCC2)cc1 226240640 QPANFKTYNFMZFH-UHFFFAOYSA-N 296.414 3.752 0 40 CHAB Clc1ccc2oc([C@H]3CCN(C4CCC4)C3)nc2c1 49168820 KUXBOIPOYGXCLQ-JTQLQIEISA-N 276.767 3.823 0 40 CHAB biogenic,in-vitro O=C(CCc1c(Cl)cccc1Cl)NC1CCCC1 225342945 FYNOLRCLDOZJMV-UHFFFAOYSA-N 286.202 3.985 0 40 CHAB CC[n+]1ccc(-c2nc3c(C)cc(C)cc3s2)cc1 226773254 SEJOLRAKYHZVNL-UHFFFAOYSA-N 269.393 3.888 0 40 CHAB CCSc1nc(N)cc(Nc2ccc(C)c(Cl)c2)n1 49467510 SVWOFLAYFVTBPM-UHFFFAOYSA-N 294.811 3.876 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)Cc2cccc3cccnc23)[C@@H]1C 43491881 RQZIUTDNRCURFR-CPUCHLNUSA-N 296.414 3.718 0 40 CHAB C[C@@H](N(C)C(=O)c1cc(-c2ccccc2)on1)C1(C)CC1 75108229 FMYXAZUYKURYDB-GFCCVEGCSA-N 284.359 3.602 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCC2)cc1 3039934 XWXSFIBUQXNSQB-MDWZMJQESA-N 292.382 3.939 0 40 CHAB CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O 6440349 OROAMDFMUMURRY-LCYFTJDESA-N 285.324 3.613 0 40 CHAB Cc1cc(C(=O)OCc2nc3ccccc3s2)c(C)o1 4163841 AYQRWVLKIAMNON-UHFFFAOYSA-N 287.340 3.863 0 40 CHAB COc1ccc(CCCC(=O)Nc2ccccc2)cc1 10776924 GBRBUNGUNZBCTH-UHFFFAOYSA-N 269.344 3.657 0 40 CHAB Cc1n[nH]cc1CN[C@H](CC(F)(F)F)c1ccccc1 38011582 SXFWVYMOOOJQNR-CYBMUJFWSA-N 283.297 3.501 0 40 CHAB CC(C)[C@H](C)NC(=O)Nc1ccccc1Br 40095183 KOQCUEAZAMIGIY-VIFPVBQESA-N 285.185 3.615 0 40 CHAB COCc1cccc(C(=O)N(C)[C@H]2CCc3ccccc32)c1 30978887 PDICOYNBTWUDGT-SFHVURJKSA-N 295.382 3.593 0 40 CHAB CCCCCNC(=O)N[C@@H](C)c1ccc(SC)cc1 31103476 RAULXGZJWKPQHR-LBPRGKRZSA-N 280.437 3.959 0 40 CHAB CC1(C)Cc2ccccc2C(C(=O)c2ccccc2)=N1 121497 AFZNXKGYUBSKPV-UHFFFAOYSA-N 263.340 3.693 0 40 CHAB O=C1Nc2ccccc2N(O)N1c1ccccc1Cl 184518 GAAUOZFSOMBFCY-UHFFFAOYSA-N 275.695 3.503 0 40 CHAB Cc1c(Cl)cccc1NC(=O)Cc1cccs1 363077 QVJIVFCGYGGJHV-UHFFFAOYSA-N 265.765 3.891 0 40 CHAB Cc1cc2c(c(C(=O)O)c1C)-c1cccc(Cl)c1C2=O 1618463 TZBWRFSJNNECLF-UHFFFAOYSA-N 286.714 3.866 0 40 CHAB Cc1cccc(OCCn2cnc(Cl)c2Cl)c1 2242378 YKGKPQSCOWBVPC-UHFFFAOYSA-N 271.147 3.577 0 40 CHAB Cc1ccc2[nH]c3nc(SCC(C)C)nnc3c2c1 2481973 YDFDXOPWBCQOAN-UHFFFAOYSA-N 272.377 3.563 0 40 CHAB CCc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1 3273876 JAHIJPOADLAFOW-UHFFFAOYSA-N 296.366 3.608 0 40 CHAB Cc1ccc(C)n1[C@H](CC(=O)O)c1cccc(Cl)c1 3880961 GIGKIGWKZMEQHX-CQSZACIVSA-N 277.751 3.822 0 40 CHAB O=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 4808337 UKOAZIHMBPIBPU-CWSCBRNRSA-N 264.756 3.650 0 40 CHAB Cc1ccc2[nH]c([C@@H]3CC[C@@](C)(C(=O)O)C3(C)C)nc2c1 6413531 OBWBVBGCJSKNJY-GTNSWQLSSA-N 286.375 3.866 0 40 CHAB Cc1cc(C)n(C(=O)Nc2cccc3ccccc23)n1 6922172 VTJMSTMGWUOXGN-UHFFFAOYSA-N 265.316 3.733 0 40 CHAB COc1ccc(C)cc1NC(=O)c1cn(C)c2ccccc12 8075799 LOKUJNXCWCLNEX-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)c1cc2ccccc2[nH]1 12796012 FJQIVEUTBBRDNL-GFCCVEGCSA-N 294.354 3.668 0 40 CHAB O=C(O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 13166711 YBLHTMVOCZPGFD-UHFFFAOYSA-N 295.338 3.516 0 40 CHAB C[C@H]1CCCN(C(=O)[C@@H](C)SCc2ccccc2)C1 13649113 ZKSXOSUUPUKLQA-UONOGXRCSA-N 277.433 3.567 0 40 CHAB CCc1ccc(C(=O)Nc2cccnc2Cl)cc1 19897670 HANNLUAUMZDKDF-UHFFFAOYSA-N 260.724 3.550 0 40 CHAB O=C(C[C@@H]1C=CCC1)NCC1(c2ccccc2)CCCC1 22839101 SODVGAAMAQJQRF-MRXNPFEDSA-N 283.415 3.971 0 40 CHAB CN(C(=O)Nc1ccc(F)cc1)C1CCCCC1 23623167 CBYPWDVRRQCLQJ-UHFFFAOYSA-N 250.317 3.622 0 40 CHAB CCC[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@H]1c1ccco1 34798057 LFJPCHSRZIMWGY-BFQNTYOBSA-N 273.332 3.634 0 40 CHAB CC[C@H](N[C@H](C)CC(C)(C)OC)c1ccc(OC)cc1 37062571 IGLUDTWYPHTQNX-CJNGLKHVSA-N 279.424 3.940 0 40 CHAB Cc1cccc(-c2nnc([C@H](C)N3CCC(C)CC3)o2)c1 39987699 HGLVJVJHPAZRNZ-AWEZNQCLSA-N 285.391 3.838 0 40 CHAB CC(C)(C)c1nc(CN2CCC[C@H]2c2ccsc2)no1 40105867 XLXZEHGJHNRLPM-LBPRGKRZSA-N 291.420 3.766 0 40 CHAB Cc1cc(C)c2ccc(NC(=O)c3ccc(F)cc3)nc2n1 40818218 RXBLSDAZTMSCEB-UHFFFAOYSA-N 295.317 3.638 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)C1(c2ccccc2)CCC1 41952546 MAKIOUQKGWTFKP-GOEBONIOSA-N 271.404 3.803 0 40 CHAB O=C(c1ccc(F)cc1F)c1cncc2ccccc12 45028910 NDWBQVLPTOTKID-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB Cc1cc(C(=O)c2ccc(Cl)c(Cl)c2)ccn1 45038611 WKTAYVUBRPWXHS-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB COc1ccc2cc([C@@H](O)c3ccc(C)o3)ccc2c1 49956083 OBAFVRKBGPNVTL-QGZVFWFLSA-N 268.312 3.832 0 40 CHAB O=C(CCSc1ccc(Cl)cc1)N1CCCCC1 50078432 XPINSMTYPUCQEW-UHFFFAOYSA-N 283.824 3.835 0 40 CHAB Cc1cc(C(=O)NCCC2CCCCC2)c2[nH]ncc2c1 58264873 MWLQXMMACNVNPS-UHFFFAOYSA-N 285.391 3.572 0 40 CHAB COc1ccc(NC(=O)C2(C)CCCC2)cc1Cl 60624512 KYZYNCCYYAUONE-UHFFFAOYSA-N 267.756 3.867 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)s1 72331702 NMKHBGCHWUTMTM-UHFFFAOYSA-N 283.755 3.779 0 40 CHAB O=C(NCc1ccccc1F)c1cc(F)ccc1Cl 72331784 RRABTYAENZKUCZ-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CCCCNC(=O)c1ccc(Oc2ccccc2OC)o1 96183975 YPNJOKYSDVKJIF-UHFFFAOYSA-N 289.331 3.610 0 40 CHAB CO[C@H](C)c1nc(C)c(C(=O)N2CCCCCCC2)s1 98018599 SYLJCKFFGOLOMX-GFCCVEGCSA-N 296.436 3.565 0 40 CHAB Cc1ccc(CCC(=O)NCCCc2ccco2)cc1C 224566346 GRGGMLJRGTWWNR-UHFFFAOYSA-N 285.387 3.578 0 40 CHAB Cc1cccc(CSCCNC(=O)c2cccc(C)c2)c1 408563710 OHGHZOARRIZNHX-UHFFFAOYSA-N 299.439 3.967 0 40 CHAB CC[C@@H](C)n1cc(Br)c(COCC(C)C)n1 408716614 OWIIKFXBPWGULQ-SNVBAGLBSA-N 289.217 3.789 0 40 CHAB CCn1c(Sc2ccccn2)nnc1-c1ccccc1 409093617 BIJGAKRROOLNNF-UHFFFAOYSA-N 282.372 3.511 0 40 CHAB COC(=O)c1ccc(OCc2ccccc2)c(C)c1C 675082388 ZMTRHCFPTDLZAN-UHFFFAOYSA-N 270.328 3.669 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1nc2ccccc2o1 1775995742 GWZALKPRSQAHHS-BETUJISGSA-N 254.333 3.905 0 40 CHAB Oc1ccc(COC2CCCCC2)c2cccnc12 282495 PMMQBDJFQVDLOB-UHFFFAOYSA-N 257.333 3.790 0 40 CHAB O=C1N[C@H](c2cccc3ccccc23)Nc2ccccc21 1728360 XKEIBCWTOUEGSH-QGZVFWFLSA-N 274.323 3.694 0 40 CHAB CCOC(=O)CSc1nc2ccc(C)cc2cc1CC 4849313 NESCAHVUVKWFKC-UHFFFAOYSA-N 289.400 3.761 0 40 CHAB Cc1c(C(=O)OCC#N)oc2c1ccc1ccccc12 4989164 UVKUAQOMSMJKNC-UHFFFAOYSA-N 265.268 3.575 0 40 CHAB CNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100872787 QJJHVTCDNCFOQD-GKVPXEHWSA-N 283.415 3.579 0 40 CHAB Cc1ccccc1OCC(=O)N(Cc1ccccc1)C(C)C 1016484 CNLNGSIEOVVQKG-UHFFFAOYSA-N 297.398 3.811 0 40 CHAB S=c1[nH]ccn2nc(-c3ccc(Cl)cc3)cc12 57352173 JHNUBOMFLURJAQ-UHFFFAOYSA-N 261.737 3.712 0 40 CHAB C[C@H](NC(=O)c1occc1-c1ccccc1)c1cccnc1 58265578 RZFCMZXBSLQPGC-ZDUSSCGKSA-N 292.338 3.833 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3[C@H](O)[C@H](O)CC[C@]3(C)[C@H]1CC2 118925407 REEYLTSFIVPASH-XSBCUWJXSA-N 292.463 3.751 0 40 CHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1cccc(F)c1F 28243816 HFXZKQSMLSGMGZ-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB Oc1cccc(CN(c2nc3ccccc3o2)C2CC2)c1 48325111 YNRWLINKNSCJES-UHFFFAOYSA-N 280.327 3.702 0 40 CHAB COc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 28924798 GPNBUYXFARTQBX-CYBMUJFWSA-N 298.386 3.504 0 40 CHAB COc1ccccc1C(=O)CCc1ccc(F)cc1 2517371 VDDHNSSSAIDQKW-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB CCOc1ccc2c(Cl)c(C(=O)O)sc2c1 20285141 RDWCAUGKOBOPNI-UHFFFAOYSA-N 256.710 3.652 0 40 CHAB CC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13557608 KHTKXJOBMFMBOM-AEFFLSMTSA-N 278.355 3.966 0 40 CHAB Cc1sc2nc(C)n3nc(-c4ccco4)nc3c2c1C 49548647 ZHYNJWKDUIEHMD-UHFFFAOYSA-N 284.344 3.524 0 40 CHAB Cn1c(-c2ccccc2)cnc1NCc1ccccc1F 4678357 KKNXTBAEOIUTMS-UHFFFAOYSA-N 281.334 3.838 0 40 CHAB CCOC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 5598197 YQXHJMCQQYQWGC-UHFFFAOYSA-N 298.382 3.954 0 40 CHAB Nc1ccc(Oc2ccc(F)c(Cl)c2)c(F)c1 14630675 PFAMVLLXLUVJJI-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB in-vitro CC[C@H](Oc1ccccc1C)C(=O)N(C)c1ccccc1 20455997 BNDPRDRYUZCUME-INIZCTEOSA-N 283.371 3.815 0 40 CHAB CC(C)Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 5817433 ZWYPRYNCQBGZBU-UHFFFAOYSA-N 296.322 3.953 0 40 CHAB biogenic Clc1ccccc1-c1csc(Nc2ncccn2)n1 67321829 RVZTULTZWGLZBI-UHFFFAOYSA-N 288.763 3.997 0 40 CHAB CN(C(=O)/C=C/c1ccc(Cl)cc1)C1CCCC1 20041637 FKEIEUNHAHECJX-DHZHZOJOSA-N 263.768 3.754 0 40 CHAB c1ccc2c(-c3nccn3CCn3ccnc3)cccc2c1 67654604 RLQUFYWUJPBPBS-UHFFFAOYSA-N 288.354 3.600 0 40 CHAB Brc1ccc(C[n+]2ccc3ccccc3c2)cc1 7714877 AIJQPGJXIFUJKH-UHFFFAOYSA-N 299.191 3.938 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=S)NCc2ccc(Cl)cc2)C1 17024184 DXOOMPKQYBPNOO-TXEJJXNPSA-N 296.867 3.692 0 40 CHAB CC[C@@H](C)n1cc(Cl)c(COCC(F)(F)F)n1 408715678 CKAXUZRRVZHXFT-SSDOTTSWSA-N 270.682 3.586 0 40 CHAB CCCCCSc1nc(C)c(CCCC)c(=O)[nH]1 8767755 VATDZOHYAJUXBK-UHFFFAOYSA-N 268.426 3.703 0 40 CHAB COc1ccc(Cl)cc1[C@@H](C)Nc1cnn(C)c1C 95991768 WCAICUVATDKBTI-SECBINFHSA-N 279.771 3.564 0 40 CHAB O=C(Nc1cccc2ncccc12)c1cc(F)ccc1F 27926201 DYAKOOHJAJMETQ-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB C[C@H](C(=O)N1CC[C@H](c2ccccc2F)C1)c1ccccc1 502161929 ZFNKLXVYKBUKDJ-HOCLYGCPSA-N 297.373 3.945 0 40 CHAB O=C(O)c1ccccc1COCc1ccccc1Cl 35415215 QKPKPRDGVLISAF-UHFFFAOYSA-N 276.719 3.755 0 40 CHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)cc1 33963707 NXPDUXLFHOMBAB-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)N(C)C1CCCCC1 38755285 LAPDNHZESAWWJP-AWEZNQCLSA-N 275.392 3.553 0 40 CHAB Cc1ccc(NC(=O)C2CC(F)(F)C2)c(Cl)c1 336168797 TXKRUKWKSPPIQB-UHFFFAOYSA-N 259.683 3.632 0 40 CHAB CC[C@@H](C(=O)O)N1c2cc(OC)ccc2C(C)=CC1(C)C 223196955 OLLPZFKWDOUQRV-AWEZNQCLSA-N 289.375 3.560 0 40 CHAB Fc1cccc(F)c1NC(=S)NC1CCCCCC1 225353482 JWXUUFCBCVMONA-UHFFFAOYSA-N 284.375 3.974 0 40 CHAB Cc1ccc([C@H](C)NC(=O)CCc2ccccc2)cc1 45174588 UXMXFQSPIFQXPG-HNNXBMFYSA-N 267.372 3.805 0 40 CHAB C[C@H]1CCCN(c2c(Cl)cc(N)cc2Cl)C1 226316395 ZLDKAOWPZIIXPB-QMMMGPOBSA-N 259.180 3.812 0 40 CHAB Cc1csc(-c2nc(O)c3c(C(C)C)csc3n2)n1 95939841 RCXLHZPPGWMTSC-UHFFFAOYSA-N 291.401 3.952 0 40 CHAB O=C(O)C1(c2cc(Cl)cc(Cl)c2)CCCC1 259656106 DTAFCYCHKCQZFD-UHFFFAOYSA-N 259.132 3.890 0 40 CHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccco3)N21 260756010 CWHZFDJQDFZJAF-DFBGVHRSSA-N 299.399 3.654 0 40 CHAB CC(C)COc1cc(F)ccc1C(=O)C(F)(F)F 95730672 CPEBPDIIEIOPNN-UHFFFAOYSA-N 264.218 3.606 0 40 CHAB Cc1cc(C)c(C(=O)c2ccc3c(c2)OCO3)cc1C 95917382 WSIUKHUQJZSMEJ-UHFFFAOYSA-N 268.312 3.572 0 40 CHAB C[C@@H](Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)C1CC1 97232196 GELUTEMMFFQFMP-GFCCVEGCSA-N 295.448 3.610 0 40 CHAB Fc1c(F)c(F)c2oc(CN3CCCC3)cc2c1F 165368 HJRLAELAZMXILR-UHFFFAOYSA-N 273.229 3.585 0 40 CHAB CO[C@@H]1CCN(C2CCCC2)C[C@H]1Cc1cccc(F)c1 1615140710 XEBNDJMEFWUJLJ-CRAIPNDOSA-N 291.410 3.648 0 40 CHAB N=C1S[C@@H](c2ccccc2)CC(=O)N1c1ccccc1 11027251 KGBDNUWSTHVCEN-CQSZACIVSA-N 282.368 3.833 0 40 CHAB O=C(/C=C/c1cccs1)Nc1cccc2cccnc12 14138514 OMJUQAZFVWFSQJ-CMDGGOBGSA-N 280.352 3.948 0 40 CHAB O=C(Nc1cccc2ccccc12)n1ncc2c1CCCC2 16545025 LECYLSSFXWHSHN-UHFFFAOYSA-N 291.354 3.995 0 40 CHAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1F 18114144 FPTKERXWGQXFRS-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB FC(F)(F)c1ccc(NCc2ccccn2)cc1 19909917 GKAAKAQZNJBANU-UHFFFAOYSA-N 252.239 3.713 0 40 CHAB Cc1ccc(/C=C/C(=O)N2CCc3sccc3C2)cc1 10922504 RREUSZRUIOIQTQ-VOTSOKGWSA-N 283.396 3.655 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2ccc(C)c(F)c2)c1 3567403 NMNBORVKFPNEMQ-VQHVLOKHSA-N 285.318 3.795 0 40 CHAB Cc1sc2ncnc(N[C@@H](C)c3ccccn3)c2c1C 8053797 GTKWNMXBQVUZGR-JTQLQIEISA-N 284.388 3.876 0 40 CHAB CSc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1 12371900 KXXRJRWFYSLEIQ-LLVKDONJSA-N 275.398 3.944 0 40 CHAB CC(C)[C@H](C)NC(=O)Nc1ccc(Br)cc1 40023864 JTOXRPOHHVXJSU-VIFPVBQESA-N 285.185 3.615 0 40 CHAB CC(C)[C@H](CCN1CCN(C)CC1)c1ccc(Cl)cc1 20573392 HOSQHUKNCZIYJP-KRWDZBQOSA-N 294.870 3.717 0 40 CHAB CCc1ccccc1NC(=O)COc1c(C)cccc1C 361911 HARVFZATCGJIAZ-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CSc1nc(Cl)c2oc(-c3ccc(C)cc3)nc2n1 41154738 NQQZOYQNIGRCLF-UHFFFAOYSA-N 291.763 3.969 0 40 CHAB Cc1cc(C)n(-c2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)n1 32819293 OERLQSIVDHTJEI-GASCZTMLSA-N 297.446 3.967 0 40 CHAB CCN(C(=O)OC)[C@H](c1ccccc1)[C@H]1CCCCC1=O 478180 BVPOVRXTVIIQRZ-GOEBONIOSA-N 289.375 3.575 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 54444 CJDXDKFHYLWZFO-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB O=C(NC1CCCCCC1)c1ccc(Cl)cc1 311796 SJQLKBAAGMSVGW-UHFFFAOYSA-N 251.757 3.793 0 40 CHAB Cc1ccc(CNc2nc(=S)[nH]c3ccccc23)o1 425523 CWIWHIRWCGSPJT-UHFFFAOYSA-N 271.345 3.806 0 40 CHAB Cc1nc2ccc(C(=O)Nc3ccccc3)cc2s1 803400 OBUBVPYGFWXMNS-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB CCCn1nc(NC(=O)CC)c2cc3cccc(C)c3nc21 1237217 YERJAHUARPAWIY-UHFFFAOYSA-N 296.374 3.651 0 40 CHAB Cc1cc(-c2nc(-c3ccncc3)no2)c2ccccc2n1 1426583 KVKXMXOZYUACFQ-UHFFFAOYSA-N 288.310 3.655 0 40 CHAB CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1 1847280 WCJFBSYALHQBSK-UHFFFAOYSA-N 295.426 3.904 0 40 CHAB world CCCSc1nc(N)c2c3c(sc2n1)CCCC3 2314907 OWCBLQIOCCSZCM-UHFFFAOYSA-N 279.434 3.654 0 40 CHAB CCCCCNc1ncnc2c1[nH]c1ccccc12 2421504 MOXITAURSAQRKB-UHFFFAOYSA-N 254.337 3.713 0 40 CHAB CNc1nc(-c2c(C)[nH]c3cc(C)ccc23)cs1 2443552 HHJZFLBINGKLIK-UHFFFAOYSA-N 257.362 3.950 0 40 CHAB O=C1O[C@@H](c2ccccc2)Cc2cccc(Cl)c21 3848084 TXUGHBPYVSYTDQ-CYBMUJFWSA-N 258.704 3.794 0 40 CHAB biogenic C[C@H](Sc1ccccc1NC(=O)CC(C)(C)C)C(=O)O 8732924 AOLQEAKVNZSUKW-JTQLQIEISA-N 295.404 3.627 0 40 CHAB COc1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 10221317 CHDHCBGJBHBIEE-UHFFFAOYSA-N 295.382 3.547 0 40 CHAB COc1ccc(CCCC(=O)Nc2cccc(C)c2)cc1 10777561 DRNHVNQEBQPSKT-UHFFFAOYSA-N 283.371 3.965 0 40 CHAB Cc1oc(-c2ccccc2)nc1CSc1nncs1 12791273 RWXUXNWCPMZOKU-UHFFFAOYSA-N 289.385 3.794 0 40 CHAB CC(C)CCNC(=O)c1cc(C2CC2)nc2ccccc12 13004977 AMHBDHRFUGTHFX-UHFFFAOYSA-N 282.387 3.888 0 40 CHAB S=C(Nc1ccccc1)Nc1cccnc1Cl 13838367 MTEURSWLHQONCH-UHFFFAOYSA-N 263.753 3.544 0 40 CHAB O=C(/C=C\c1ccco1)NCC1(c2ccccc2)CCCC1 16158051 VTCISSYITXHBGE-KHPPLWFESA-N 295.382 3.921 0 40 CHAB Cc1cc(N)ccc1NC(=O)c1ccc(OC(C)C)cc1 19736412 UCJYVZODKRZBFT-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1csc(Cl)n1 19910235 OJLJUNKUBCJIGA-UHFFFAOYSA-N 273.144 3.702 0 40 CHAB CC(C)COc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 20092446 HZESBAYBKQOVNF-RHSMWYFYSA-N 277.408 3.551 0 40 CHAB CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2F)c1 20187629 OAUKGJJFUZMVFQ-GFCCVEGCSA-N 286.350 3.635 0 40 CHAB Cc1nc(-c2ccc(N[C@H]3CN4CCC3CC4)cc2)cs1 20441736 DNGWBFXECJFYDW-INIZCTEOSA-N 299.443 3.625 0 40 CHAB Brc1ccc(C2CCC3(CC2)OCCO3)cc1 21984635 HOTMLVRRXAEMKZ-UHFFFAOYSA-N 297.192 3.850 0 40 CHAB CC[C@H](C)C(=O)Nc1cccc(OCc2ccccn2)c1 31453538 LYBJPGSWECFTGO-ZDUSSCGKSA-N 284.359 3.645 0 40 CHAB O=C(C1CCCC1)N1CCC(c2ccccc2)CC1 32908295 GTSXKBMXTSRFMP-UHFFFAOYSA-N 257.377 3.583 0 40 CHAB Cc1csc(CN[C@@H](C)c2ccccc2Cl)n1 38090742 XFJDXCAHPUSFJP-JTQLQIEISA-N 266.797 3.956 0 40 CHAB C/C=C\C(=O)OCc1cc(-c2cc3ccccc3o2)on1 38757379 WNXWMESIMXOSOG-DJWKRKHSSA-N 283.283 3.707 0 40 CHAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 40478347 QAHRMSGNMQCBBV-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB CCc1cccc(C)c1NC(=O)N1CCCC[C@@H]1C 40525499 WVUZGBSBJPHMTR-ZDUSSCGKSA-N 260.381 3.964 0 40 CHAB O=C(COCc1ccccc1)c1ccc(Cl)s1 50159325 IRHIRRXCXBKNBR-UHFFFAOYSA-N 266.749 3.801 0 40 CHAB Cc1ccc(-c2cc3c(=S)[nH]ccn3n2)cc1C 57352166 KQJPRHPURJZHNU-UHFFFAOYSA-N 255.346 3.676 0 40 CHAB COc1ccc(-c2cc(NCc3ccccc3)no2)cc1 68754937 CWWWQHHSLDJFLH-UHFFFAOYSA-N 280.327 3.962 0 40 CHAB COc1cc(Cl)c(C)cc1NCc1cc(C)on1 69375360 HWBOMVFBHZXBPX-UHFFFAOYSA-N 266.728 3.566 0 40 CHAB COc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1 72331537 LXXHHYGMWMRNRZ-UHFFFAOYSA-N 283.371 3.749 0 40 CHAB NC(=S)c1ccc2oc(-c3cccc(Cl)c3)nc2c1 73634114 XZQXCRRRLLKXTP-UHFFFAOYSA-N 288.759 3.782 0 40 CHAB c1ccc(CCc2nnc(NC3CCCCC3)o2)cc1 74384157 KIAJKWIUYVXXKO-UHFFFAOYSA-N 271.364 3.599 0 40 CHAB C[C@@H]1CCN(C(=O)CCc2ccccn2)[C@H](c2ccco2)C1 75389613 JFCCNSMSFYOQJL-ZBFHGGJFSA-N 298.386 3.607 0 40 CHAB Cc1nnc([C@@H](C)N2CCC(=Cc3ccccc3)CC2)o1 89736210 GMRAYXBTYDYRDP-CYBMUJFWSA-N 283.375 3.618 0 40 CHAB CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C)C[C@H]1C 95407515 YYJKHSYWKMSSGB-VXGBXAGGSA-N 294.370 3.877 0 40 CHAB O=C(Nc1nccs1)N1CCCC[C@@H]2CCCC[C@H]21 95457606 VQOQDXCGJZKHTC-NWDGAFQWSA-N 279.409 3.720 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1nccs1 95950839 RIEXZIDIPYLFCO-NEPJUHHUSA-N 289.404 3.573 0 40 CHAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102357965 QUJZFJXDSGVKPG-XJIUQZFPSA-N 296.414 3.651 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@@H]1CC(=O)[C@H]2O 118925772 PCRFKLBZXMNBGB-XNLWHXBOSA-N 288.431 3.735 0 40 CHAB COC(=O)c1ccc(/C=C/c2ccc(C)cc2)cc1 138363870 PVDGTKDIUWXLNG-BQYQJAHWSA-N 252.313 3.952 0 40 CHAB COc1ccc(C(=O)CCc2ccc(C)o2)cc1F 199732219 WNRBUULBJLSWSW-UHFFFAOYSA-N 262.280 3.551 0 40 CHAB COc1ccc([C@@H](C)NC(=O)Cc2ccc(C)cc2C)cc1 222819436 WGYZXMJMOQUTBN-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB CCOC(C)(C)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225648263 GCWBCRVCIVTQFJ-UHFFFAOYSA-N 293.407 3.783 0 40 CHAB CCCCCNC(=O)c1ccc2nc(Cl)sc2c1 225974246 WEVJCIFOEGXFDA-UHFFFAOYSA-N 282.796 3.870 0 40 CHAB Cc1c2nc(S)sc2cc2sc(S)nc12 238518285 OWKSABATSCKPPW-UHFFFAOYSA-N 270.429 3.792 0 40 CHAB Clc1nc2c(Br)c(Cl)ccc2[nH]1 258830863 ILFJKDQPTHIVAZ-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB COc1ccc(Cn2ccc3ccc(Cl)nc32)cc1 328578823 WZCCIVSLHMRMMP-UHFFFAOYSA-N 272.735 3.747 0 40 CHAB CCOC(=O)c1cc(-c2ccc3ccccc3c2)on1 514268708 YMSJLOZUMJEKHW-UHFFFAOYSA-N 267.284 3.672 0 40 CHAB O=C(NCc1cc(-c2ccoc2)cs1)c1ccco1 1775970010 XBPVNAXIVFDZBE-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB C[C@H]1Sc2ccc(Cl)cc2-c2nc(N)ncc21 107018 IRMOVYCOOYNMIP-ZCFIWIBFSA-N 263.753 3.546 0 40 CHAB CC(C)(C)c1nnc(NC(=O)c2ccccc2Cl)s1 378542 PTWQCVYFTQPQEU-UHFFFAOYSA-N 295.795 3.741 0 40 CHAB C[C@@H](O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 383809 AQGHTNGZVGYORU-SNVBAGLBSA-N 275.735 3.646 0 40 CHAB CCC(O)=C1N(C)c2cccc3cccc(c23)N1C 506940 OIUYIYOBDLPBFU-UHFFFAOYSA-N 254.333 3.863 0 40 CHAB CC1CCN(c2ccc(NC(=O)C(C)C)cc2)CC1 559766 HHDBXZJVVOMABE-UHFFFAOYSA-N 260.381 3.517 0 40 CHAB O=C(Nc1cccnc1)c1cc(Cl)sc1Cl 3120056 XUXVQIKOGRNZPD-UHFFFAOYSA-N 273.144 3.702 0 40 CHAB in-vitro Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1 3264854 NPKXRWQIFBTCMG-UHFFFAOYSA-N 251.738 3.962 0 40 CHAB Cc1ccn2c(C=O)c(-c3ccc(F)cc3)cc2c1 3673048 QBLJAGHZVNQIMF-UHFFFAOYSA-N 253.276 3.866 0 40 CHAB COC(=O)[C@@H]1Cc2ccccc2[C@@](C)(c2ccccc2)C1 4029180 IIROOEZMZDMAOZ-DNVCBOLYSA-N 280.367 3.728 0 40 CHAB biogenic CC[C@@]1(O)C[C@@H]2c3ccccc3CCN2C[C@@H]1CC(C)C 5063194 RYNPJUSOZNBQIE-QXAKKESOSA-N 287.447 3.793 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)cc1)[C@H]1CC2CCC1CC2 5532747 UBWAPIJEWRMFDH-NEQJSVFRSA-N 275.367 3.770 0 40 CHAB CCCCCCc1nc2nc(Cl)c(Cl)nc2[nH]1 5782993 DGRVRFOVCINONF-UHFFFAOYSA-N 273.167 3.783 0 40 CHAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccco1 6322464 XRXUEKHDDLQGON-UHFFFAOYSA-N 294.354 3.570 0 40 CHAB CCc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1 6956749 BVUWRAZHFVJIND-UHFFFAOYSA-N 278.355 3.780 0 40 CHAB Cc1ccc(C2=NN[C@@]3(CCCC[C@H]3C)S2)cc1 8372370 GNQZJEYYZZICGV-DOMZBBRYSA-N 260.406 3.899 0 40 CHAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)c1ccccc1 8394097 XXHVMIXWOAHHTB-MRVPVSSYSA-N 287.310 3.687 0 40 CHAB O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)nc1Cl 8628000 LYFGSBZPOGZMFW-UHFFFAOYSA-N 282.730 3.757 0 40 CHAB O=C(O)CCc1nc2ccccc2n1C1CCCCC1 9526060 FMGDEWIOIMGMBE-UHFFFAOYSA-N 272.348 3.559 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)N[C@H]1CCCC[C@H]1C 10370629 FHDNOEFTTDQUOC-YCPHGPKFSA-N 274.408 3.968 0 40 CHAB Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1 12918315 VJFMZAHVYDKTHU-UHFFFAOYSA-N 286.400 3.973 0 40 CHAB C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccccn1 13331909 CMLBVEAVYWNEGR-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB Cc1ccc(Cl)cc1NC(=S)Nc1cccnc1 13837083 FLBGPKVZCMQCJX-UHFFFAOYSA-N 277.780 3.852 0 40 CHAB CCCCNC(=O)c1oc2c(Cl)cccc2c1C 14182479 CCXAXWMOJRDROP-UHFFFAOYSA-N 265.740 3.925 0 40 CHAB C[C@@H](CC(=O)O)CC(=O)c1ccc(Cl)c(Cl)c1 15441740 ZTILJBHQENWYQA-SSDOTTSWSA-N 275.131 3.677 0 40 CHAB CSc1ncccc1C(=O)N[C@H](C)c1ccccc1C 17963598 MYCCEUKHEIYFIV-GFCCVEGCSA-N 286.400 3.603 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 20453777 OQDOXJRBHHVXBX-NSHDSACASA-N 291.297 3.679 0 40 CHAB O=C(c1ccc2c(c1)CCO2)c1ccccc1Cl 37358625 ZBTHDCCAAGVUMR-UHFFFAOYSA-N 258.704 3.506 0 40 CHAB in-vitro CC(C)c1ccc2cc(C(=O)N3CCCCC3)[nH]c2c1 40069948 ANRHDUHUSGYMQH-UHFFFAOYSA-N 270.376 3.917 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)C1CCCCC1 40620963 CQYPFJQVYVOSNI-UHFFFAOYSA-N 259.393 3.704 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)c1cccc(F)c1 40620993 AYRKLPWVBFGDOP-UHFFFAOYSA-N 271.335 3.577 0 40 CHAB CCOc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1 41155806 XCZQWWHMDXQILQ-ZDUSSCGKSA-N 297.354 3.513 0 40 CHAB CC(C)(C)c1ccccc1OCC[C@H]1CCCNC1 42772447 CERGIWJCBHXBTH-CQSZACIVSA-N 261.409 3.753 0 40 CHAB C[C@H](CNC(=O)CCCOc1ccccc1)c1ccccc1 43700768 MINYBEROERBSSF-MRXNPFEDSA-N 297.398 3.766 0 40 CHAB Cc1cc(C(=O)c2ccc(C(F)(F)F)cc2)ccn1 45038447 QEHAPJJOHIYHBN-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB CCOc1ccc(Oc2cc(Cl)nc(C)n2)cc1 52835060 JXYJCKPIVWARAN-UHFFFAOYSA-N 264.712 3.629 0 40 CHAB C[C@H](Nc1ncnc2sccc12)c1cccc(O)c1 58298230 GCXIAPCECYFNII-VIFPVBQESA-N 271.345 3.570 0 40 CHAB COc1ccccc1C1(CNCc2ccncc2)CCCC1 67219414 UMSKCHUSZQCPCW-UHFFFAOYSA-N 296.414 3.692 0 40 CHAB Cc1noc([C@@H](C)Sc2cc(F)ccc2F)n1 69351030 JOCRISGEDIKGQO-ZCFIWIBFSA-N 256.277 3.510 0 40 CHAB O=C(Nc1c(F)cccc1Oc1ccccc1)c1cc[nH]n1 69775796 OCZAJJSERCUCNK-UHFFFAOYSA-N 297.289 3.593 0 40 CHAB CCN1CCC[C@H]1c1ccc(NC2CCCC2)nc1 72213950 QEGUSAHYFCDTME-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB CCCN1CCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 72219162 IMVGAVSCQWYUAC-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB COc1ccc([C@H]2CCC(=O)N2Cc2ccccc2F)cc1 75876653 NYSMWWWYTWGCHF-QGZVFWFLSA-N 299.345 3.698 0 40 CHAB Nc1cc(Br)c(Cl)c(C(F)(F)F)c1 95935302 IXVLAJIQVJQKJZ-UHFFFAOYSA-N 274.467 3.704 0 40 CHAB O=C(CCc1ccco1)N1CCC(=Cc2ccccc2)CC1 96454726 FFWRZEGAGBADKS-UHFFFAOYSA-N 295.382 3.918 0 40 CHAB COc1ccc(Cl)cc1[C@@H](C)Nc1c(C)nn(C)c1C 97045692 RVLUQEARCHYDNG-SECBINFHSA-N 293.798 3.872 0 40 CHAB CCCCO[C@H](C)OC(C(F)(F)F)C(F)(F)F 98210587 ULORQHDOIIRRSJ-LURJTMIESA-N 268.197 3.659 0 40 CHAB Brc1ccc([C@H]2C[C@@H]2CN2CCCC2)cc1 114572037 XRBKNTXOIJFLEF-TZMCWYRMSA-N 280.209 3.648 0 40 CHAB O=C(C1CC1)N1CCS[C@@H](c2ccccc2Cl)CC1 211147024 ZGTWOAAGPWLTTQ-CQSZACIVSA-N 295.835 3.757 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223887894 IDPQWRLMWCXVAC-KBPBESRZSA-N 289.419 3.638 0 40 CHAB Cc1cccc(Nc2ccc(N)cc2C(=O)NC(C)C)c1C 225464091 HPQBNQNOKYECCW-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB CC[C@H](C)n1c(CO)ccc1Cc1ccc(C)cc1 226029498 GCUWVVNPDQREMH-AWEZNQCLSA-N 257.377 3.851 0 40 CHAB CCOc1ccc(NC(=O)c2cc3ccccc3o2)c(N)c1 226347235 DKRKTYUROGCXHB-UHFFFAOYSA-N 296.326 3.666 0 40 CHAB C[C@@H](N)COc1ccccc1Oc1ccc(Cl)cc1 257232877 GMUUQKFPGXZAFS-LLVKDONJSA-N 277.751 3.858 0 40 CHAB Cc1c(Oc2ccc3[nH]ccc3c2)cccc1C(=O)O 521398503 KRUHVNICBHLPPJ-UHFFFAOYSA-N 267.284 3.967 0 40 CHAB O=C(NCC1(c2ccsc2)CC1)Nc1cccs1 1888921956 VOAJHTDJKIRQTK-UHFFFAOYSA-N 278.402 3.663 0 40 CHAB Cc1ccc(NC(=O)c2noc3c2CCCCC3)cc1C 426566 PXJFLFXWCJBMKO-UHFFFAOYSA-N 284.359 3.813 0 40 CHAB O=C(Nc1nccs1)c1cc(Cl)sc1Cl 4173464 WNKDYYOEFPGHSH-UHFFFAOYSA-N 279.173 3.764 0 40 CHAB Cc1cc(NC(=O)c2cc3c(F)cccc3s2)no1 12587357 DFFDEODEVGNBDQ-UHFFFAOYSA-N 276.292 3.589 0 40 CHAB Cc1nc(NC(=O)c2ccccc2)sc1-c1ccccn1 23499476 GZEBOCHUQDZFHA-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CC(C)(Br)C(=O)c1ccc(Cl)cc1 34456742 IZEYISCHXYIBBQ-UHFFFAOYSA-N 261.546 3.696 0 40 CHAB Cc1c(-c2csc(-c3ccccc3)n2)sc2ncnn12 1398227 MYNOQTMUUZSTIE-UHFFFAOYSA-N 298.396 3.890 0 40 CHAB O=C(NCC1CCC1)c1ccccc1C(=O)c1cccs1 26141107 UXYJHRABDFGDPA-UHFFFAOYSA-N 299.395 3.509 0 40 CHAB Cc1cccc(Cn2cc(NC(=O)C3CCCCC3)cn2)c1 28305976 BELORAZREQWQFD-UHFFFAOYSA-N 297.402 3.759 0 40 CHAB COc1cccc(COc2cccc(NC(C)=O)c2C)c1 95440544 FBEOEECQHKBKHN-UHFFFAOYSA-N 285.343 3.541 0 40 CHAB CCCOc1cc(CNC(=O)Nc2ccc(C)cc2)ccn1 95462277 DLRXBEIJUMFXBD-UHFFFAOYSA-N 299.374 3.501 0 40 CHAB C[C@@H](N)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 20594506 DDJQFAXXZPWWOV-JEBQAFNWSA-N 267.372 3.716 0 40 CHAB Cc1cc(C)cc(N[C@@H]2OC(=O)c3ccccc32)c1 2482659 RVFFJADSRQKRQG-OAHLLOKOSA-N 253.301 3.585 0 40 CHAB CCCCNC(=O)Nc1nc2ccc(CC)cc2s1 2640242 ODKUBIXEWFXQQU-UHFFFAOYSA-N 277.393 3.780 0 40 CHAB CC(C)NC(=O)CCc1ccc(-c2ccccc2F)o1 8704320 UKZHNCUUUKPVJH-UHFFFAOYSA-N 275.323 3.543 0 40 CHAB CC(C)OCc1ccc(CNC(=O)c2ccsc2)cc1 49133371 YOIBMWQKJCIYKP-UHFFFAOYSA-N 289.400 3.603 0 40 CHAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nccc3N2)cc1 4291317 CVFFHRZXJOMAKL-VXGBXAGGSA-N 297.280 3.552 0 40 CHAB CCCc1ccc([C@H](C)NC(=O)N[C@@H](C)CC)cc1 13746363 ISMKBXUHUYUQHT-STQMWFEESA-N 262.397 3.798 0 40 CHAB CCc1cccc(CC)c1NC(=S)NCC(C)C 13789065 OSYUHWJJPIMRRG-UHFFFAOYSA-N 264.438 3.754 0 40 CHAB C[C@H]1CCCC[C@H]1N1CCN(Cc2ccccc2F)CC1 19359444 NZOCCSUBAZMUQL-MAUKXSAKSA-N 290.426 3.522 0 40 CHAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 14245005 YAVIPAQDUIWSGG-UHFFFAOYSA-N 287.334 3.930 0 40 CHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OC)C1=O 409010503 KTIQUWIWIRKKKJ-QQMDNXKGSA-N 291.372 3.530 0 40 CHAB O=C(Nc1nc2ccccc2s1)C1(c2ccccc2)CC1 6852216 FHQQKCZZXACADA-UHFFFAOYSA-N 294.379 3.967 0 40 CHAB C[C@H]1C[C@@H](C)CN(C2=CC(=[N+]3CCCC3)CC(C)(C)C2)C1 15953135 FQMNXKJTBBWHTO-IYBDPMFKSA-N 289.487 3.916 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2)C1 16035505 OSFKVFNXNTVZMW-PHIMTYICSA-N 285.309 3.824 0 40 CHAB Cc1ccc2oc(C(=O)Nc3cc(C)on3)c(C)c2c1 7990817 HCBYEZZEQIMRQY-UHFFFAOYSA-N 270.288 3.598 0 40 CHAB COc1ccc(C(=O)Nc2ccc(C3(C)CC3)cc2)cc1 9592485 URCPUTUWOXZKIZ-UHFFFAOYSA-N 281.355 3.999 0 40 CHAB Cc1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)o1 71831360 QEPOPYSMWYTYDA-AWEZNQCLSA-N 298.386 3.566 0 40 CHAB C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccnc2)C1 98014247 GUUKMVXAFFDKNI-LRDDRELGSA-N 299.349 3.836 0 40 CHAB c1ccc(COc2ccc(-c3cn[nH]c3)cc2)cc1 61997386 WEPICZVLHFRBBD-UHFFFAOYSA-N 250.301 3.656 0 40 CHAB CCOc1cc(C(=O)N(CC)CC)cc(Cl)c1OCC 409370307 OQXIAQLLPSYPOE-UHFFFAOYSA-N 299.798 3.619 0 40 CHAB Cc1cccc(C(=O)N(C)Cc2ccc(Cl)cc2)c1 30756052 FVCGXCGTPCQVAH-UHFFFAOYSA-N 273.763 3.921 0 40 CHAB Cc1csc2nc(-c3ccc(Cl)c(N)c3)cn12 61957803 PMLBAJFRFHTOPA-UHFFFAOYSA-N 263.753 3.607 0 40 CHAB C[C@@H](N)CCN(C1CCCCC1)C1CCCCC1 37401907 FRXBNNVQEIEROV-CQSZACIVSA-N 252.446 3.691 0 40 CHAB CCc1ccc(Cl)c(CC)c1NC(=O)C1CCOCC1 24643782 BAITVATWBZRPAW-UHFFFAOYSA-N 295.810 3.830 0 40 CHAB CCN1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214369 KWXYDFAYPOVDCN-CYBMUJFWSA-N 291.395 3.585 0 40 CHAB CSc1nc(Cl)cc(-c2ccc(F)cc2)n1 78401140 PJUOFNAQKGZJLX-UHFFFAOYSA-N 254.717 3.658 0 40 CHAB c1ccc(CN2CCC[C@@H]2c2cccnc2NC2CC2)cc1 72213707 FWJCJBGEVSBMHG-GOSISDBHSA-N 293.414 3.993 0 40 CHAB Cc1cc(C)c(NC(=O)C2CC(F)(F)C2)c(C)c1 336424124 SFZPGVLVUPTEKL-UHFFFAOYSA-N 253.292 3.596 0 40 CHAB Cc1cc([C@@H]2CCCN2Cc2cccc3cccnc23)on1 40536468 BGVPXBMUSIYOHI-INIZCTEOSA-N 293.370 3.868 0 40 CHAB O=C(O)c1nc(C(F)(F)F)ccc1-c1ccc(F)cc1 47206354 WQOWPBOBPBOLND-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB O=C1CCOc2ccc3cc(Br)ccc3c21 85399409 CIUIDJKUJMWOHG-UHFFFAOYSA-N 277.117 3.568 0 40 CHAB O=C(c1ccc(C2OCCO2)cc1)c1cccc(Cl)c1 43212639 IAKCSERNBZQPAM-UHFFFAOYSA-N 288.730 3.616 0 40 CHAB CCN(Cc1ccccn1)[C@@H](C)c1ncc(C(C)(C)C)o1 96486770 REBLASZHHJTRLC-ZDUSSCGKSA-N 287.407 3.950 0 40 CHAB FC(F)(F)c1ccc2c(c1)CNCC21CCCC1 96032301 GPJKNXWTIWZJIX-UHFFFAOYSA-N 255.283 3.620 0 40 CHAB COc1ccc(-c2ccncc2)c(C(F)(F)F)c1 47217257 MISYLEZJTWSPAU-UHFFFAOYSA-N 253.223 3.776 0 40 CHAB in-vitro Cc1ccsc1[C@H](C)N[C@@H]1CCO[C@@]2(CCSC2)C1 195548989 AALXTSRXEOVSJP-GUTXKFCHSA-N 297.489 3.762 0 40 CHAB Nc1nc(-c2ccccn2)cc2c(Cl)cccc12 31794425 SDZFKVMWEHVERV-UHFFFAOYSA-N 255.708 3.532 0 40 CHAB COc1cc(/C=C\c2ccc(O)cc2)cc(OC)c1OC 5890470 PGNACKMMQGBVTN-PLNGDYQASA-N 286.327 3.588 0 40 CHAB O=C(c1ccccc1)c1ccccc1-c1cccnc1 13602148 PTJKKSZMSXBOSD-UHFFFAOYSA-N 259.308 3.980 0 40 CHAB NC(=S)c1sccc1COc1ccc(Cl)cc1 165153 OHUPQDLFUJZFOM-UHFFFAOYSA-N 283.805 3.615 0 40 CHAB CCCCc1ccc(C(=O)Nc2cccc(O)c2)cc1 4506536 XYMQIOBWUMJXMN-UHFFFAOYSA-N 269.344 3.987 0 40 CHAB CCOc1ccc(CNC2CCCCCC2)cc1OC 8324684 YLTGLQYNTVXPLD-UHFFFAOYSA-N 277.408 3.906 0 40 CHAB Cc1ccc(NC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 254911793 PEFGLBUQBGPATL-IHRRRGAJSA-N 258.365 3.553 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)c1ccccc1F 40620990 MIAYAHLSUIFAON-UHFFFAOYSA-N 271.335 3.577 0 40 CHAB CCc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)o1 40082215 UFMKBBKPUYCZNW-UHFFFAOYSA-N 293.326 3.551 0 40 CHAB O=C(Nc1nc(-c2ccco2)cs1)[C@H]1CC=CCC1 40111348 XXEOJRGVQXEWKW-JTQLQIEISA-N 274.345 3.698 0 40 CHAB C[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 40159039 OTGKAGOMQDAVTD-GFCCVEGCSA-N 273.405 3.858 0 40 CHAB COc1ccc(C2=CCN(C(=O)C3CCCCC3)CC2)cc1 40122416 TVVMLNQRXFZJNQ-UHFFFAOYSA-N 299.414 3.891 0 40 CHAB Cc1cnc(NC(=O)CCOc2ccc(Cl)cc2)s1 40129162 FTXBOJMTVBDFEU-UHFFFAOYSA-N 296.779 3.513 0 40 CHAB O=C(NCCC1=CCCCC1)c1noc2c1CCCCC2 32097162 CHZOIRZNRRKMLZ-UHFFFAOYSA-N 288.391 3.564 0 40 CHAB COc1ccc(C(=O)Nc2ccnc3ccc(F)cc23)cc1 32607651 YRXYGDSTTXBSMI-UHFFFAOYSA-N 296.301 3.635 0 40 CHAB O=C(Cn1c(=S)[nH]c2ccccc21)c1ccccc1 53257 ZXZUKMKQRJQVRX-UHFFFAOYSA-N 268.341 3.582 0 40 CHAB O=C1O[C@@H](Nc2nc3ccccc3s2)c2ccccc21 100247 ZQZXHLHDXZSDLU-CYBMUJFWSA-N 282.324 3.577 0 40 CHAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1Cl 128491 VLVLESKUXXMBDI-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB O=C(Nc1ccccc1Br)c1ccccc1 260455 USYBDUIHFMIQCP-UHFFFAOYSA-N 276.133 3.701 0 40 CHAB CCN(CC)c1ccc2c(c1)[C@H](O)c1ccccc1-2 394344 MVTIEKNFOFJLRT-QGZVFWFLSA-N 253.345 3.595 0 40 CHAB CCc1cc(=O)oc2cc(C)c3c(c12)OC(C)(C)CC3 491095 ORTPONDFCZXOKM-UHFFFAOYSA-N 272.344 3.767 0 40 CHAB biogenic CC(C)(C)NC(=O)CSCc1c(F)cccc1Cl 571649 GVKFLQPRRHJENI-UHFFFAOYSA-N 289.803 3.627 0 40 CHAB c1ccc2sc(SCN3CCCCC3)nc2c1 1702489 AOTBSODRZKFNIU-UHFFFAOYSA-N 264.419 3.832 0 40 CHAB FC(F)(F)/C(Cl)=C(\Br)C(F)(F)F 2386532 HQDIBYVKNAQTGX-OWOJBTEDSA-N 277.389 3.956 0 40 CHAB C[C@@H](CCOc1ccc(C=O)cc1)Oc1ccc(C=O)cc1 2750046 ZCIHZLNMNRHHMR-AWEZNQCLSA-N 298.338 3.548 0 40 CHAB Cc1cc(Br)c(O)c(C(=O)c2ccccc2)c1 3096921 RRIMPAZSCSSEIK-UHFFFAOYSA-N 291.144 3.694 0 40 CHAB Cc1ccccc1Nc1nc(Cl)c(C=O)s1 3346443 QNOUKJGAULDWAJ-UHFFFAOYSA-N 252.726 3.661 0 40 CHAB c1coc(-c2nnc(-c3cc4c(s3)CCCC4)o2)c1 3399431 RRHTXDXYQPVPGZ-UHFFFAOYSA-N 272.329 3.937 0 40 CHAB Nc1c(C(=O)O)sc(C(F)(F)F)c1-c1ccccc1 4289148 BPFFXVCOJJGNQU-UHFFFAOYSA-N 287.262 3.714 0 40 CHAB O=C(Nc1ccccc1F)OC[C@@H]1C[C@@H]2C=C[C@H]1C2 5208214 XHVOMUHAHXEEON-WOPDTQHZSA-N 261.296 3.586 0 40 CHAB CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@@H](C)[C@@H]3CC[C@@]12C 5276291 CPKPUIIUQANSBI-SUNUAYSWSA-N 262.393 3.633 0 40 CHAB O=C(Nc1ccccc1Cl)c1cccnc1Cl 5679815 FOUDIDNRZBCJFZ-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1ccc(C)c(-n2c(=S)[nH]c3ccccc3c2=O)c1 5818237 PHLDWLVMKYXXNE-UHFFFAOYSA-N 282.368 3.665 0 40 CHAB in-vitro C[C@@H](OC(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc12 6065603 PLFQMSAZZJSBMX-GFCCVEGCSA-N 293.322 3.596 0 40 CHAB c1cc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)ccn1 6083495 BJDKIMOKSNBPEF-UHFFFAOYSA-N 281.359 3.599 0 40 CHAB Cc1ccc(NC(=O)Cc2ccccc2C)c(C)c1 7475977 AHRHCDLSORAEMF-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB COc1ccc(C)cc1NCC(=O)Nc1c(C)cccc1C 7972926 SKDYGKPGLDUQFB-UHFFFAOYSA-N 298.386 3.671 0 40 CHAB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cn1 8018604 UNAVTKKSXDVWKQ-UHFFFAOYSA-N 284.359 3.640 0 40 CHAB COc1ccccc1OCc1nc2ccccc2nc1C 8300242 WYLDGSZOQOFHLM-UHFFFAOYSA-N 280.327 3.526 0 40 CHAB CC(=O)c1cccc(NC(=S)NC2CCCCC2)c1 8687635 MNLLDLYFYMLCJN-UHFFFAOYSA-N 276.405 3.508 0 40 CHAB CC(C)c1ccc(CC(=O)Nc2onc3c2CCCC3)cc1 8976708 MDJJMWZISXRSDB-UHFFFAOYSA-N 298.386 3.858 0 40 CHAB O=C(c1ccccc1F)N1CCc2[nH]c3ccccc3c2C1 9899766 HHNAAGIPRGUOSU-UHFFFAOYSA-N 294.329 3.506 0 40 CHAB CCCc1nnc(NC(=O)c2ccc(F)cc2Cl)s1 12598997 DQBHQDLQZHELOU-UHFFFAOYSA-N 299.758 3.535 0 40 CHAB CCC(C)(C)NC(=S)Nc1cc(C)cc(C)c1 13823561 QVRRSPNTBUUGCA-UHFFFAOYSA-N 250.411 3.778 0 40 CHAB Cc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1C 14240827 BSPAKTLEUQZUAH-UHFFFAOYSA-N 296.370 3.711 0 40 CHAB Cc1ccc(-c2nsc(C(=O)C(C)(C)C)n2)cc1 16311194 NWJMDYPYGKSDOD-UHFFFAOYSA-N 260.362 3.742 0 40 CHAB CCCCCCNC(=O)N1c2ccccc2C[C@@H]1C 16637975 FNSYRKLIUFVWTL-ZDUSSCGKSA-N 260.381 3.728 0 40 CHAB Sc1nnc(-c2ccc(Cl)s2)n1Cc1ccco1 17024425 WUBXTMBQPMZXQW-UHFFFAOYSA-N 297.792 3.590 0 40 CHAB C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 17323623 UCTUCVISRDTLRK-SNVBAGLBSA-N 277.726 3.970 0 40 CHAB C[C@H](c1ccccc1)n1c(S)nnc1-c1ccccc1 20590019 UIDGOCKLFASPOX-GFCCVEGCSA-N 281.384 3.843 0 40 CHAB in-vitro C[C@@H]1CCN(C(=O)c2ccoc2)c2ccccc2S1 22258096 XGTGBBFFZPSIJZ-LLVKDONJSA-N 273.357 3.811 0 40 CHAB O=C(/C=C/c1cccs1)Nc1cccc(-c2ccn[nH]2)c1 24894905 XRVZILZKFFQXSC-VOTSOKGWSA-N 295.367 3.790 0 40 CHAB C[C@@H](C1CC1)N(C(=O)c1cn(C)c2ccccc12)C1CC1 32833893 NWAULVVNSJTJGV-LBPRGKRZSA-N 282.387 3.581 0 40 CHAB O=C(c1cccc(F)c1)c1cnc2ccccc2c1 37761549 AZQHACLDMUVDTR-UHFFFAOYSA-N 251.260 3.605 0 40 CHAB COc1ccc(Nc2ncnc3c(F)cccc23)cc1OC 41480170 WQXNUGWNZXRYPU-UHFFFAOYSA-N 299.305 3.530 0 40 CHAB Cc1cccnc1NC(=O)N[C@H]1CCSc2ccccc21 43167662 RXCZDCQWBSTMDN-ZDUSSCGKSA-N 299.399 3.749 0 40 CHAB C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)CCC[C@]12O 43722355 HSOALUOHWZYSOE-QKDSSNGWSA-N 290.447 3.815 0 40 CHAB C[C@@H]1CCCCN1c1c(Cl)cc(N)cc1Cl 45885814 YHEQHOVVYQRYQH-MRVPVSSYSA-N 259.180 3.954 0 40 CHAB CN(CC1CC1)C(=O)C(c1ccccc1)c1ccccc1 47919402 FJYOJKGPGPYANL-UHFFFAOYSA-N 279.383 3.687 0 40 CHAB Cc1noc(C)c1C(=O)N(C)c1cccc(C(C)C)c1 49030969 OSRLLIBHACGMSO-UHFFFAOYSA-N 272.348 3.691 0 40 CHAB Cc1ccc(C)c(C(=O)N(Cc2ccncc2)C2CC2)c1 50822015 BCSYNQCNTGRAAE-UHFFFAOYSA-N 280.371 3.503 0 40 CHAB CCOCc1ccccc1NC(=O)NCCc1ccccc1 52468912 BAUNJAKEPQBPOP-UHFFFAOYSA-N 298.386 3.587 0 40 CHAB O=C(NC1CCCCC1)c1cc(F)c(Cl)nc1Cl 57757318 GLUBYMJWGHYDIJ-UHFFFAOYSA-N 291.153 3.590 0 40 CHAB CCCCn1c([C@H](C)O)nc2cc(Cl)ccc21 64874410 FKFGGFGXHAIIAO-VIFPVBQESA-N 252.745 3.543 0 40 CHAB Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1O 68741116 AEXHYXSUMZFIPI-UHFFFAOYSA-N 275.735 3.535 0 40 CHAB COc1ccc(-c2ncccc2C(F)(F)F)cc1 71256286 IYODFXZQLSTGNC-UHFFFAOYSA-N 253.223 3.776 0 40 CHAB O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2ccccc12 72192248 LSKQRMBPLLMJRR-UHFFFAOYSA-N 290.244 3.609 0 40 CHAB in-vitro O=CN1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214110 LOOVHRSVASNNQA-INIZCTEOSA-N 281.359 3.509 0 40 CHAB CSc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72216939 LAGPSRZJWXODAL-LBPRGKRZSA-N 294.420 3.876 0 40 CHAB CC[C@H](O)c1ccc(N2CCCc3ccccc32)nc1C 72224960 CUOYDQNWAKEGLB-KRWDZBQOSA-N 282.387 3.918 0 40 CHAB CC(=O)N1N=C(c2ccccc2C)C[C@@H]1c1cccs1 79112133 JDWGXCGYUDPRHD-OAHLLOKOSA-N 284.384 3.754 0 40 CHAB CC(C)CCNC(=O)Cc1cn(C(C)C)c2ccccc12 79192082 MYBREKDJSWIDKN-UHFFFAOYSA-N 286.419 3.927 0 40 CHAB biogenic c1csc([C@@H]2CCCN(c3nccc4occc34)C2)n1 95994716 GFIZXLNUGXIHCU-LLVKDONJSA-N 285.372 3.668 0 40 CHAB Clc1ccc2c(c1)N[C@H](c1cccs1)CO2 96531204 QCZPNDFKRXHFPD-JTQLQIEISA-N 251.738 3.947 0 40 CHAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102357969 QUJZFJXDSGVKPG-AYMQEEERSA-N 296.414 3.651 0 40 CHAB CCOc1ccc(/N=c2/sc3ccccc3n2C)cc1 103711018 CPIXUTNEDABCNR-WUKNDPDISA-N 284.384 3.871 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)NCC2=CCCCC2)c1C 224429831 PRJDILXGCSAQBM-HNNXBMFYSA-N 287.403 3.687 0 40 CHAB CCOc1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 225320656 DXWTYNKMKSHAOL-LALPHHSUSA-N 290.432 3.560 0 40 CHAB Cc1ccc(-c2ncc(-c3cccc(N)c3)o2)cc1 226102804 RKVHZELWDQZWML-UHFFFAOYSA-N 250.301 3.899 0 40 CHAB Cc1nn(C2CCCC2)cc1CNCc1ccc(F)cc1 256051674 KDCSZNXCUXOSBP-UHFFFAOYSA-N 287.382 3.736 0 40 CHAB Fc1c(-c2ccccc2)ncnc1N1CCC(F)(F)CC1 1888853509 QMLULWASCIQTPZ-UHFFFAOYSA-N 293.292 3.518 0 40 CHAB CC(=O)NC[C@H]1Cc2ccccc2Sc2ccccc21 347347 LMJIXMAUKHYANX-CQSZACIVSA-N 283.396 3.614 0 40 CHAB Cc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 383537 QSPKWUOHPXLSGZ-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB CC(C)Cn1c(-c2ccccc2)nc2ccccc2c1=O 553422 LUMSDFSLXADJDC-UHFFFAOYSA-N 278.355 3.720 0 40 CHAB Nc1ccc(-c2csc(COc3ccccc3)n2)cc1 1563341 BNIIASQTZIVBLE-UHFFFAOYSA-N 282.368 3.971 0 40 CHAB Cc1cc2c(C)nn(Cc3ccccc3)c2c(C(=O)O)c1C 1625178 HNCKQOTVTKXGLG-UHFFFAOYSA-N 294.354 3.708 0 40 CHAB O=C(NC(=O)c1ccccc1)Nc1cccc2ccccc12 1735341 WXEXUOPNBVZAEK-UHFFFAOYSA-N 290.322 3.802 0 40 CHAB CCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 2001657 OWLNNWLMURDQMF-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB biogenic O=C(O)CCCCC(=O)c1cccc2ccccc12 2378697 FFLVZZUBTNDFHA-UHFFFAOYSA-N 256.301 3.668 0 40 CHAB CCCCCCc1ccc(C(=O)CCC(=O)O)cc1 2555767 WWHKOZXEVDESBN-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB COCCn1c(-c2ccc(C)cc2)cc2c1C[C@@H](C)CC2=O 2561618 YNLQVPBLGPMSLS-CQSZACIVSA-N 297.398 3.875 0 40 CHAB CCC[C@H]1[C@H](CC)C[C@H](CC)[C@H](O)[C@@]1(CC)CO 4578834 IYPYZCBRSAZZKB-YXMSTPNBSA-N 256.430 3.608 0 40 CHAB O=[S@](CCOc1ccccc1)c1ccc(Cl)cc1 5279472 UAEGIDUXJWDFKH-SFHVURJKSA-N 280.776 3.527 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)CSC2CCCC2)c1C 5895763 JTLJACLQMNBEQW-UHFFFAOYSA-N 279.405 3.693 0 40 CHAB CCc1ccccc1NC(=O)Cn1ccc2ccccc21 6419111 WCFFWWJGCZFTMV-UHFFFAOYSA-N 278.355 3.842 0 40 CHAB CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(O)cc5c4CCN(C2)[C@H]13 6424653 RAUCDOKTMDOIPF-PUVSGCPBSA-N 296.414 3.634 0 40 CHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1F 6815269 JBTKERUNZSWJIY-UHFFFAOYSA-N 280.302 3.799 0 40 CHAB COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1Cl 8135232 CWDBMVKRMZHYJD-SNVBAGLBSA-N 265.740 3.643 0 40 CHAB Cc1ccc(CSc2nc3ncccc3o2)cc1 9688062 CBDGMLPLXGYCIV-UHFFFAOYSA-N 256.330 3.824 0 40 CHAB Cc1cc(C(=O)CSc2ccccn2)c(C)n1C1CC1 12324854 CIHXYQUHBZAICQ-UHFFFAOYSA-N 286.400 3.810 0 40 CHAB C[C@@H]1CCCCN1Cc1cccc(Br)c1 14193892 UHXYFARSBSNTGR-LLVKDONJSA-N 268.198 3.824 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)[nH]n2)cc1 14206663 NSLRLMVGBPRBSL-UHFFFAOYSA-N 295.317 3.777 0 40 CHAB O=C(c1cccc(Oc2ccccc2)c1)N1CCCC1 16991190 SDDVNSIMLGEVBG-UHFFFAOYSA-N 267.328 3.715 0 40 CHAB O=C(O)c1cc(C2CC2)nc2cccc(Br)c12 19510886 VAGWZHPBGKJRFB-UHFFFAOYSA-N 292.132 3.573 0 40 CHAB CC(C)CCOc1ccc(CNCc2cccnc2)cc1 20141292 UDVKHDSQVVVZJE-UHFFFAOYSA-N 284.403 3.796 0 40 CHAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 21998307 FUAAEFVCTOWQAC-INIZCTEOSA-N 297.398 3.868 0 40 CHAB Cc1ccc(C(=O)Cc2nc3ccccc3o2)cc1 26467099 SMUSZZQRNOOFRV-UHFFFAOYSA-N 251.285 3.562 0 40 CHAB CCCCNC(=O)Nc1nnc(C2CCCCC2)s1 28225695 WRKQBNKJPXABDM-UHFFFAOYSA-N 282.413 3.507 0 40 CHAB COC(=O)c1c(C)[nH]c(-c2nc(C3CC3)sc2C)c1C 28335065 COLWFKBBQCXWFP-UHFFFAOYSA-N 290.388 3.727 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)C[C@@H]1C=CCC1 32781362 CTKQAIMKTOPZCP-TZMCWYRMSA-N 275.417 3.940 0 40 CHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccco1 32818706 ITGXLZHCKXWBLA-UHFFFAOYSA-N 268.272 3.551 0 40 CHAB Cc1ccc2[nH]c(Sc3ncnc4ccccc34)nc2c1 32888197 CEWFIYGIYGIQRR-UHFFFAOYSA-N 292.367 3.966 0 40 CHAB Cc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)cc2)o1 34993692 WQMBISOSEBWQNM-CQSZACIVSA-N 281.359 3.625 0 40 CHAB Cc1cccc(C(=O)Nc2cccc(Cl)c2N(C)C)c1 36390970 BEJSHAMVPJJNHP-UHFFFAOYSA-N 288.778 3.967 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)c2ccccc2OC(F)F)[C@@H]1C 36696901 OZFXERIGQHVFNP-WZRBSPASSA-N 297.345 3.843 0 40 CHAB Clc1nccc(Nc2ccc(Br)cc2)n1 38579797 COSBULMDBCYJON-UHFFFAOYSA-N 284.544 3.636 0 40 CHAB C[C@H]1C[C@H]1c1ccc(CNc2ccc(CCO)cc2)o1 40737948 OTMRWSOJPJLIHN-BLLLJJGKSA-N 271.360 3.550 0 40 CHAB Cc1cc(Cl)ccc1OCC[C@@H]1CCCCN1 42770637 OONYCBKEPLAZPX-ZDUSSCGKSA-N 253.773 3.559 0 40 CHAB O=Cc1cccc(-c2nc3ccc(F)cc3s2)c1 45923182 CKUOJZQXRHKCPN-UHFFFAOYSA-N 257.289 3.915 0 40 CHAB CN(CCCc1ccccc1)C(=O)CCc1ccsc1 46639577 ODIVIXWYSKHCGZ-UHFFFAOYSA-N 287.428 3.772 0 40 CHAB CCc1cccc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 48367061 YXQSVDIOAHTHLF-GJZGRUSLSA-N 296.414 3.927 0 40 CHAB CCCc1n[nH]c(S[C@@H](C)c2cccc(F)c2)n1 48705886 BWWFBNKGWBDXFO-VIFPVBQESA-N 265.357 3.750 0 40 CHAB COc1ccc(NC(=O)c2cccc3ccccc23)cc1N 57340388 GIWLEWPONOMHHN-UHFFFAOYSA-N 292.338 3.683 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(F)cc1 62157992 LCMASTYUNBCKCR-ZDUSSCGKSA-N 283.346 3.736 0 40 CHAB Cc1ccc(-c2csc(-c3cnccn3)n2)s1 71971858 XOCKGAQIWJMHHH-UHFFFAOYSA-N 259.359 3.637 0 40 CHAB CCCN1CCC[C@H]1c1cccnc1N1CCCCC1 72216104 IGGSKFWJCFUHCB-INIZCTEOSA-N 273.424 3.619 0 40 CHAB C[C@H](c1ccccc1)N(C)Cc1ccc2c(c1)OCCO2 72803108 QNIGWSFZXXLTQG-CQSZACIVSA-N 283.371 3.651 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cnc(C(C)C)nc2C)c1 75437002 FQLJCDOTGTYKRK-UHFFFAOYSA-N 283.375 3.778 0 40 CHAB COc1cc(C(=O)c2ccc(F)c(C)c2)ccc1F 89064300 GAWSFAHFRUCYEX-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB Cc1cccc(Sc2ccccc2N2CCNCC2)c1C 95557867 IFZNYQPTDBKBSE-UHFFFAOYSA-N 298.455 3.864 0 40 CHAB C/C(=C\C(=O)Nc1ccn(C)n1)C12CC3CC(CC(C3)C1)C2 96401886 QWMZQLKKVREDJK-LFYBBSHMSA-N 299.418 3.521 0 40 CHAB COc1ccccc1C[C@H](C)N[C@H](C)c1ncc(C)s1 96479082 GCKOMLZPWFBVLY-WCQYABFASA-N 290.432 3.742 0 40 CHAB CCN1c2cc(OC)c(C=O)cc2C(C)=CC1(C)C 113824269 MJMOMFUWURTTAJ-UHFFFAOYSA-N 259.349 3.530 0 40 CHAB C[C@H](c1ccncc1)N1CCC(NCCC(C)(C)C)CC1 188167221 LTIHBKOAPYEXAC-OAHLLOKOSA-N 289.467 3.633 0 40 CHAB Cc1cccc(NC(=O)COc2cccc3c2CCCC3)c1 222566233 DRVLUYBTOIJCEF-UHFFFAOYSA-N 295.382 3.891 0 40 CHAB O=C(CSCc1ccc(F)cc1)NCC1CCCCC1 224379847 GFVMAEJCVNPSPD-UHFFFAOYSA-N 295.423 3.755 0 40 CHAB Cc1cccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)c1 225017356 UBZBDRNJAZYXCS-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2 225420916 UIBTWBKUPSLIJQ-TYXVVTFGSA-N 275.436 3.754 0 40 CHAB Cc1ccc(CN[C@@H](C)c2c(C)nn(C)c2C)cc1C 252489059 JEDFGUIVWXBHLE-ZDUSSCGKSA-N 271.408 3.505 0 40 CHAB Cc1nn(C(C)C)cc1CNc1cc(C)n(CC(C)C)n1 256049720 BCXIDMGFYVJSHA-UHFFFAOYSA-N 289.427 3.545 0 40 CHAB CC(C)Oc1ccccc1C(=O)COCc1ccccc1 382738628 YKJFILLLDOGEFO-UHFFFAOYSA-N 284.355 3.873 0 40 CHAB C[C@H](c1noc([C@@H]2C[C@H]2c2ccc(C#N)cc2)n1)C1CC1 390833260 FILJFCNZAOGABY-NZVBXONLSA-N 279.343 3.726 0 40 CHAB CC(=O)c1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C 408541093 BLJBKZZETZYEKU-UHFFFAOYSA-N 299.761 3.869 0 40 CHAB COc1c(C)cc(C(=O)Cc2cccs2)cc1C 575358113 CQSDXHHNPSVQFP-UHFFFAOYSA-N 260.358 3.799 0 40 CHAB COc1cc(C(=O)C2CCCCC2)cc(F)c1F 575358305 RARQYASNAXTOJS-UHFFFAOYSA-N 254.276 3.736 0 40 CHAB CC[C@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 304634 ASNFKFSUHGOHQZ-HNNXBMFYSA-N 295.448 3.565 0 40 CHAB Cc1cc(C)c(C[S@@](=O)c2ccccc2)c(C)c1 339330 LFRPTBBRADNILE-SFHVURJKSA-N 258.386 3.920 0 40 CHAB CCc1ccc(C)c(OC(=O)c2ccc(F)cc2)c1 365017 BKUYRTNPJRBJTI-UHFFFAOYSA-N 258.292 3.916 0 40 CHAB CC1=C[C@H](C)[C@@H]2CO[C@H](c3ccc(O)cc3)[C@H]1[C@@H]2C 518663 UVEZFZYRAYSXIF-TVUXNIQRSA-N 258.361 3.928 0 40 CHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1C 574433 VFZXILVVKWAHLS-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CC1=C2C=CC=C[C@H]2c2nc3ccc(Cl)cc3n2N1 1097446 JJOQSCCEZNINCQ-GFCCVEGCSA-N 269.735 3.730 0 40 CHAB C[C@H]1S[C@@H](c2ccccc2)N(c2ccccc2)C1=O 1560292 HMZGRFPANBVBFF-WBMJQRKESA-N 269.369 3.854 0 40 CHAB CCOP(=O)(OCC)[C@H](O)c1ccccc1Cl 1600130 KNNOLDBXUGCESB-NSHDSACASA-N 278.672 3.597 0 40 CHAB CCC[C@@]1(CC)N=C(S)N(c2ccc(C)c(C)c2)N1 2592839 RDYHCDWRVZDVFQ-HNNXBMFYSA-N 277.437 3.820 0 40 CHAB O=C(Nc1ccccc1)c1cnc(Cl)c(Cl)c1 2650789 JXZJXMQWMVAADI-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1noc(C)c1C(=O)Nc1cc(Cl)cc(Cl)c1 3105222 KIWOYRYCJJWLRZ-UHFFFAOYSA-N 285.130 3.851 0 40 CHAB CSCc1cc(Sc2ccccc2)nc(C)n1 3105276 CCOWEKMJQWPNPM-UHFFFAOYSA-N 262.403 3.799 0 40 CHAB Cc1cc(C(=O)NCC2CCCCC2)c2ccccc2n1 3421193 WSLHSVKKKADFLJ-UHFFFAOYSA-N 282.387 3.853 0 40 CHAB COc1ccc(C)cc1NC(=O)Cc1ccc(Cl)cc1 3567271 ORYCDWXXQVTAJT-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 3886701 DWOFRWCQQMUIRA-CYBMUJFWSA-N 270.763 3.912 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1C[C@H]2CC[C@@H]1C2 4031074 DUTDNCVTPKVCGV-NGZCFLSTSA-N 267.731 3.854 0 40 CHAB C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@H]12 4073878 RSIHSRDYCUFFLA-YCOHNSLCSA-N 286.415 3.655 0 40 CHAB biogenic CC1(C)C[C@@H](O)C[C@@]2(C1)C[C@]1(C)C[C@H](O)[C@H]2C(C)(C)C1 4127735 OYKKAFUDCTVRPS-AYMSOESYSA-N 280.452 3.751 0 40 CHAB Cc1ccc2c(c1C)NC(=O)C[C@H]2c1ccc(F)cc1 4488966 HSUDDCMNSIVDTP-HNNXBMFYSA-N 269.319 3.917 0 40 CHAB O=C(n1cnc2ccccc21)C12CC3CC(CC(C3)C1)C2 4550197 KAKUALNZVASNLH-UHFFFAOYSA-N 280.371 3.893 0 40 CHAB Cc1ccc(CNC(=O)CSCc2cccc(C)c2)cc1 5578438 CSVAFNQXJIPWJS-UHFFFAOYSA-N 299.439 3.853 0 40 CHAB Cc1cc(-c2ccccc2)nc(SC(=O)C(F)(F)F)n1 5725050 MGXJHVTYEKHHOC-UHFFFAOYSA-N 298.289 3.633 0 40 CHAB Cc1cc(SC(=O)c2ccc(Cl)cc2)nc(S)n1 6281435 BLUSXHKNDHMBER-UHFFFAOYSA-N 296.804 3.660 0 40 CHAB O=C(CCc1ccsc1)Nc1nc2c(s1)CCCC2 7213380 GAPXOEFKNHJMAX-UHFFFAOYSA-N 292.429 3.655 0 40 CHAB O=C(NC1CCCC1)c1ccccc1C(=O)c1ccccc1 7950943 FLJGFZIXVAOILI-UHFFFAOYSA-N 293.366 3.590 0 40 CHAB COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1Cl 8135229 CWDBMVKRMZHYJD-JTQLQIEISA-N 265.740 3.643 0 40 CHAB COc1cccc(NC(=O)N[C@@H](C)CCc2ccccc2)c1 8221089 FFRHXNDYSYSZEY-AWEZNQCLSA-N 298.386 3.838 0 40 CHAB O=C(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 10382545 PRRJCRTZIOAXCP-UHFFFAOYSA-N 290.244 3.813 0 40 CHAB O=C(Nc1ccnn1C1CCCCC1)c1cccs1 12918131 ZNFXDWMFDPIVBG-UHFFFAOYSA-N 275.377 3.702 0 40 CHAB CC(C)(C)C(=O)Nc1ccc(NC(=O)C2CCCC2)cc1 12982776 SPTUHDXNRAGIDS-UHFFFAOYSA-N 288.391 3.800 0 40 CHAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1 14236631 NAZPSBKWZJUFEF-UHFFFAOYSA-N 279.261 3.887 0 40 CHAB CC(=O)Nc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 14466043 WBTNHUOTWPEBKV-UHFFFAOYSA-N 289.718 3.518 0 40 CHAB Cc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 14737965 MCFAYVXJXJGEPP-SFHVURJKSA-N 295.382 3.568 0 40 CHAB Cc1cc(C)c(NC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 15952134 IMJVZFQSPXGMTJ-UHFFFAOYSA-N 298.342 3.985 0 40 CHAB CCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 16130176 HJQOMCIISYOVBU-UHFFFAOYSA-N 295.791 3.703 0 40 CHAB Cc1ccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1Cl 18061980 DOGDBBHAXPJGES-ICCXJUOJSA-N 291.778 3.574 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 18173625 RYXJLNZUQVEXSV-NSHDSACASA-N 286.297 3.801 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1cccc(N)c1C 19404571 AZNHRFPWMCPCCR-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CCOc1ccc(Cl)cc1C(=O)NCc1ccccc1 21125369 PTCDNUXNEAZAKS-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB CCC[C@H](NC(=O)c1ccc(C)nc1)c1ccccc1 22414119 YRCNDHHWDNYTIN-INIZCTEOSA-N 268.360 3.661 0 40 CHAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccco3)cc2c1C 23718050 PGHWDQCEIHZLLO-UHFFFAOYSA-N 282.343 3.650 0 40 CHAB C[C@H]1CCc2sc(C(=O)Nc3ccccn3)cc2C1 27652978 HYQUBOFTNRWBRE-JTQLQIEISA-N 272.373 3.520 0 40 CHAB CCc1ccc(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 28875099 IFTGPQGROJABMB-HUUCEWRRSA-N 296.414 3.927 0 40 CHAB Cc1ccc2nc(S[C@@H]3CCCCCC3=O)[nH]c2c1 29302082 VKLXVYPIOMJUKL-CQSZACIVSA-N 274.389 3.865 0 40 CHAB O=C(O)CCCCCC/C=C/c1ccc2c(c1)OCO2 34399859 FVCPUAKEZYQXIF-FNORWQNLSA-N 276.332 3.854 0 40 CHAB biogenic,in-vitro Cc1[nH]c2ccc(C(=O)N(C)C3CCCC3)cc2c1C 35148958 AFALBFZHQBHFMG-UHFFFAOYSA-N 270.376 3.799 0 40 CHAB C[C@H](NCc1cc(F)ccc1F)c1ccc2c(c1)OCO2 36981976 FSIBZGJVIWSQNE-JTQLQIEISA-N 291.297 3.544 0 40 CHAB Cc1cccc(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1 40059686 QGXMIBMEERFVMV-RHSMWYFYSA-N 297.398 3.960 0 40 CHAB Nc1c(Cl)cc(Cc2ccncc2)cc1Br 45920181 GDGDVHBZHRMWDN-UHFFFAOYSA-N 297.583 3.671 0 40 CHAB CCN(Cc1ccncc1)C(=O)C[C@@H](C)c1ccccc1 57026872 WSFOIFDWBZHKBY-OAHLLOKOSA-N 282.387 3.624 0 40 CHAB COc1ccc([C@H](C)NC(=O)c2cc(C)oc2C)cc1F 57524764 YICRCKZEYLAHCI-JTQLQIEISA-N 291.322 3.535 0 40 CHAB Cc1cccc(CS[C@H](C)C(=O)NC2CCCC2)c1 71818611 FTKYQSJOLDUYIA-CYBMUJFWSA-N 277.433 3.676 0 40 CHAB Cc1ccc(CN(Cc2ccc(C)cc2)[C@@H]2CCNC2)cc1 72203996 VNIRNKLAJDGGAL-HXUWFJFHSA-N 294.442 3.668 0 40 CHAB CCN1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C 72219296 XSABRXPCJBXZLH-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB Cc1ccc(NC(=O)N2CCC2(C)C)cc1Cl 72305906 SFEOUWORUQAIST-UHFFFAOYSA-N 252.745 3.665 0 40 CHAB O=C(c1ccccc1F)N1CCC(c2ccsc2)CC1 75157100 PEIWJIMDVOLXPI-UHFFFAOYSA-N 289.375 3.907 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(F)cc1 83264804 VJXHNIORPORNTP-AWEZNQCLSA-N 294.370 3.637 0 40 CHAB C[C@]1(NC(=O)Cc2cccc(F)c2)CCCc2ccccc21 95958476 KRYOAVYIUROTMU-IBGZPJMESA-N 297.373 3.736 0 40 CHAB CC(C)Cc1ccc([C@H](C)c2n[nH]c(=S)[nH]2)cc1 96193769 CGOSBPJFRUGXNN-JTQLQIEISA-N 261.394 3.818 0 40 CHAB Cc1ccc([C@H]2CCCN2C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102184092 FUZHVAMTBFCXTN-LEUOFYLZSA-N 281.399 3.871 0 40 CHAB O=C(Cc1cccs1)NCCCc1ccccc1Cl 107189940 PYMOONDVRAPBEL-UHFFFAOYSA-N 293.819 3.693 0 40 CHAB C=Cc1ccc(C(=O)C(F)(F)C(F)(F)F)cc1 137276035 AWAKVSJSLNPIFI-UHFFFAOYSA-N 250.166 3.710 0 40 CHAB CC(C)(C)C(=O)N1CCS[C@@H](c2ccccc2)CC1 211139863 PHBHVWKQFBLDCD-CQSZACIVSA-N 277.433 3.739 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1 219955802 ZXRGDICQNCCALC-CQSZACIVSA-N 283.371 3.885 0 40 CHAB COC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 223699614 NRGKZMWLPUMLMG-GFCCVEGCSA-N 257.333 3.501 0 40 CHAB CC[C@H](C)Oc1ccc2c(c1)c(CNC)c(C)n2CC 223760521 HXHPAWKJSIMUTK-LBPRGKRZSA-N 274.408 3.866 0 40 CHAB Cc1cccc(-c2nc(-c3ccc(N)cc3Cl)no2)c1 225175493 OAUYQWGAECTEBQ-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB Nc1cccc([C@@H](O)c2ccc3c(c2)Cc2ccccc2-3)c1 226297012 SFZZLXVWOZJXEO-HXUWFJFHSA-N 287.362 3.922 0 40 CHAB COC(=O)[C@@H](C)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260616290 HRZJBCQAMCTMAO-ZIAGYGMSSA-N 289.419 3.957 0 40 CHAB CC(C)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 130432 UYXOOSUMAVSSKM-QGZVFWFLSA-N 297.354 3.589 0 40 CHAB Cc1ccc(C2=NN[C@H](c3cccs3)S2)cc1 133944 LQUNXKXNCZZVFV-ZDUSSCGKSA-N 260.387 3.753 0 40 CHAB Cc1ccc(NC(=S)Nc2cccc(C)n2)cc1 2757249 BMUBHKHHBKRYAX-UHFFFAOYSA-N 257.362 3.507 0 40 CHAB CCN(CC)C(=O)c1csc(Nc2ccc(C)cc2)n1 819495 IMTVMNYHZDXPGX-UHFFFAOYSA-N 289.404 3.677 0 40 CHAB Cc1cc(=O)oc(C)c1C(=O)Nc1cccc2ccccc12 504286 PBUHJYCCIHAAKQ-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB Cn1cc(-c2ccc3c(c2)OCO3)c2ccccc21 1612064 VPEDDBHGVQNJJS-UHFFFAOYSA-N 251.285 3.574 0 40 CHAB Cc1ccccc1[C@@H](NC(=O)Nc1cn[nH]c1)C(C)(C)C 79941554 RYDXDDDCVCIEHB-CQSZACIVSA-N 286.379 3.627 0 40 CHAB COc1ccc([C@@H](C)NCc2ccccc2)cc1OC 4240694 VWNXQIVCUARDPH-CYBMUJFWSA-N 271.360 3.555 0 40 CHAB CC(=O)Nc1ccc(SCC(=O)c2ccccc2)cc1 3077704 FQJYFRIUCQCULP-UHFFFAOYSA-N 285.368 3.620 0 40 CHAB Cc1cccc(C)c1NC(=O)Cn1ccc2ccccc21 6755886 VYIDTKIMZFEXHI-UHFFFAOYSA-N 278.355 3.897 0 40 CHAB CCOCc1cc(C(=O)Nc2ccc(C)cc2)ccc1OC 7071438 KYUVJLXOQKFNHE-UHFFFAOYSA-N 299.370 3.792 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)c2cc3ccccc3o2)c1C 9514669 FSIZDBKBSKJUDK-UHFFFAOYSA-N 281.311 3.811 0 40 CHAB C/C(=C1/N=C(c2ccccc2)OC1=O)c1ccc(C)cc1 1574869 QFFMBOXLYJKPKE-SSZFMOIBSA-N 277.323 3.730 0 40 CHAB COc1ccc(NC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 12622229 WBKVRCSZKOFTIY-TYNCELHUSA-N 292.448 3.806 0 40 CHAB Cc1c(Cl)c(Cl)cc(N)c1N1CCCCC1 22121981 KIRPFTFTGMIOCS-UHFFFAOYSA-N 259.180 3.874 0 40 CHAB Cc1ccc(NC(=O)c2cccc(N(C)C)c2)c(C)c1 2619790 GLFRCRJCSARAMK-UHFFFAOYSA-N 268.360 3.622 0 40 CHAB O=C(CSC1CCCC1)N[C@H]1CCCc2ccccc21 3440894 XCYVHIRTVOYFQR-INIZCTEOSA-N 289.444 3.856 0 40 CHAB CCCc1n[nH]c(S[C@H](C)c2ccc(F)c(F)c2)n1 48834420 KJICRIWXBFRWTB-MRVPVSSYSA-N 283.347 3.889 0 40 CHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C)sc2C)c1 24070145 VSMIJFLIBLLZEQ-UHFFFAOYSA-N 295.429 3.783 0 40 CHAB COc1ccc(Cl)cc1NC(=O)C1C(C)(C)C1(C)C 71405538 LXGOZGHPMVIEDO-UHFFFAOYSA-N 281.783 3.969 0 40 CHAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(-c2ccccc2O)n1 6501239 ODRLNZFAGQVHGI-CHWSQXEVSA-N 297.402 3.640 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2cn[nH]c2c1 6982505 UOOHKVGCWGSPSS-FPYGCLRLSA-N 297.745 3.868 0 40 CHAB Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NC2CC2)cc1 84148727 UTWKJICKIWLHKW-XJKSGUPXSA-N 272.392 3.640 0 40 CHAB CC[C@H](c1ccccc1)[S@@](=O)Cc1nc(C)c(C)o1 97083632 KNDFGTMXAUBJBN-AUUYWEPGSA-N 277.389 3.691 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H]1C1CCCC1 95393233 GFESSBALJBZLOD-QGZVFWFLSA-N 282.387 3.963 0 40 CHAB CC(C)[C@H](C)N(C)C(=O)/C=C/c1ccc(F)c(Cl)c1 95949163 SZKKXPWKBLNUDZ-IOCXFXADSA-N 283.774 3.995 0 40 CHAB C[C@]1(NC(=O)Cc2ccccc2F)CCCc2ccccc21 95958480 KJLHBMFOVFAYNY-IBGZPJMESA-N 297.373 3.736 0 40 CHAB C[C@@]1(CNC(=O)Nc2cccc3[nH]ccc23)CCCS1 95965342 MWFBUFZNVPROLJ-HNNXBMFYSA-N 289.404 3.575 0 40 CHAB COc1ccc2oc(C(=O)NC[C@@H](C)C(C)C)c(C)c2c1 89568195 IRWZLOHNWSYDNU-LLVKDONJSA-N 289.375 3.772 0 40 CHAB COCc1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 25334777 PFSLOXBLQMSXRB-UHFFFAOYSA-N 299.370 3.873 0 40 CHAB O=C(c1ccc(Br)cc1)c1ccsc1 34509071 FBFWETSCDYWCFO-UHFFFAOYSA-N 267.147 3.742 0 40 CHAB CN1/C(=C/c2cccnc2)C(C)(C)c2ccccc21 35202746 MQILPICROOWXKB-LFIBNONCSA-N 250.345 3.850 0 40 CHAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccco1 72221578 AUNXPNNKKKEOMQ-AWEZNQCLSA-N 255.317 3.647 0 40 CHAB CO[C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1 137535880 IRPJQNBNMQDOAF-INIZCTEOSA-N 269.344 3.630 0 40 CHAB Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc(C2CC2)n1 49467609 OTYLZFXCSQFTCF-UHFFFAOYSA-N 295.173 3.987 0 40 CHAB CCC(C)(C)NC(=O)CCc1ccc(Cl)cc1 41972879 BXJPDXZZQVHARA-UHFFFAOYSA-N 253.773 3.577 0 40 CHAB Cc1ccc(C)c(C[C@@H](OCc2ccccc2)C(=O)O)c1 225030165 HVVRWYBQUXJCPX-QGZVFWFLSA-N 284.355 3.516 0 40 CHAB Cc1cccc(Cl)c1NC(=O)N(C)C[C@H]1CCCOC1 132767145 VESJNDKDZDKHGD-GFCCVEGCSA-N 296.798 3.539 0 40 CHAB CC(C)(C)Nc1ncc(C(F)(F)F)cc1Cl 42783865 VWVXWGRBSRLTEO-UHFFFAOYSA-N 252.667 3.964 0 40 CHAB CCCN(c1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)O 224995183 FGJLIGKCCBLDAV-QMMMGPOBSA-N 276.163 3.683 0 40 CHAB CC(=O)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 85346750 FIOATLLDKYIVTN-UHFFFAOYSA-N 298.125 3.530 0 40 CHAB O=C(CC1(n2cccc2)CCCCC1)Nc1cccnc1 95478886 MIEGELYHYIUYMR-UHFFFAOYSA-N 283.375 3.571 0 40 CHAB Cc1cc(C)cc(NC(=O)Cc2csc3nc(C)cn23)c1 25050487 VLXAYBSOKNBNCU-UHFFFAOYSA-N 299.399 3.502 0 40 CHAB Cc1ccc(C(=O)c2cc(F)c(F)c(F)c2)cc1F 95917356 UZECKQAGXDXKSO-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1ncnc2cc(F)ccc12 1775996118 WEBABZZCRSUUCJ-OKILXGFUSA-N 283.350 3.846 0 40 CHAB CC(C)NC(=O)CSCc1ccc(C(C)(C)C)cc1 57685575 GVYNQGWYBUVAPW-UHFFFAOYSA-N 279.449 3.742 0 40 CHAB CC(C)n1c(-c2ccc(N)cc2)nc2ccccc21 1470685 WMBIWXSQJKSPHQ-UHFFFAOYSA-N 251.333 3.866 0 40 CHAB O=CNc1ccc(/C=C/c2ccnc3ccccc23)cc1 12941696 DQJCBLHSXHWKLY-VMPITWQZSA-N 274.323 3.974 0 40 CHAB CCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1 13169709 QYKVKHZUUMNHES-UHFFFAOYSA-N 283.327 3.508 0 40 CHAB CCCC[C@@H](CC)C(=O)c1ccc(N2CCOCC2)cc1 575358561 FCYGTDDEVLTLJP-OAHLLOKOSA-N 289.419 3.922 0 40 CHAB Fc1cccc(Cl)c1CN1CCC[C@@H](N2CCCC2)C1 23358974 WAXLLZXDAYCRTG-CYBMUJFWSA-N 296.817 3.539 0 40 CHAB O=C(N[C@@H]1CCCC[C@H]1Cc1ccco1)c1cccs1 282577 XCMNSFWVOPYGHI-GXTWGEPZSA-N 289.400 3.872 0 40 CHAB CCC[C@H](C)NC(=O)Nc1ccccc1Br 40095188 NREQXSBRKWLZTO-VIFPVBQESA-N 285.185 3.759 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccco1 40012724 FPPGLYONTHYVHT-CYBMUJFWSA-N 290.388 3.560 0 40 CHAB COc1ccc(OC)c(Sc2ccccc2C(=O)O)c1 346505 VUARWROGQYLDND-UHFFFAOYSA-N 290.340 3.553 0 40 CHAB CCC(C)(C)NC(=O)Cc1csc(-c2ccsc2)n1 32747474 ORJXOIZVPFHFMT-UHFFFAOYSA-N 294.445 3.719 0 40 CHAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NCc1ccccc1 42004 VGEGJYBLUKXPBR-DGCLKSJQSA-N 298.213 3.894 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(C)c(C)c2)c1 44480 MTCBQSJCDZZATA-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CCc1ccccc1OCC(=O)Oc1ccc(C)cc1 131300 SJPJOFSINKKKQD-UHFFFAOYSA-N 270.328 3.542 0 40 CHAB Cc1ccc(SCc2cn3c(C)cc(C)nc3n2)cc1 193620 QSFZSVAPJBCWFH-UHFFFAOYSA-N 283.400 3.947 0 40 CHAB Cc1cccc(C)c1OCC(=O)NCCC1=CCCCC1 364813 ZURGTKSPLDYRLL-UHFFFAOYSA-N 287.403 3.689 0 40 CHAB COc1cccc(C(=O)Oc2ccc(Cl)cc2)c1OC 383694 HIAMUVSJKGHJCQ-UHFFFAOYSA-N 292.718 3.576 0 40 CHAB Cc1ccc(C)c(NC(=S)N2CCC[C@@H](C)C2)c1 477872 ZOYITEMXNPOMBC-GFCCVEGCSA-N 262.422 3.732 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(C)cc2C)c1 516374 QYKUYGSXWRLGOW-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB O=c1c(O)c(-c2ccccc2)oc2ccc(Cl)cc12 1940177 VOWXRVNSRRUPSL-UHFFFAOYSA-N 272.687 3.819 0 40 CHAB O=C(OCCOc1ccc(F)cc1)c1cccc(Cl)c1 2652843 MRKAOSIRJCHQTI-UHFFFAOYSA-N 294.709 3.715 0 40 CHAB C[C@@H]1CCc2c(sc(N)c2C(=O)c2ccccc2)C1 3415974 MOGSGHDYFNBOLC-SNVBAGLBSA-N 271.385 3.686 0 40 CHAB O=C(OCc1cccc2ccccc12)c1ccccn1 3563334 SBFKJIJZKIRVNG-UHFFFAOYSA-N 263.296 3.592 0 40 CHAB OCc1cccc(-c2ccc(C(F)(F)F)cc2)c1 4204306 BKESULFFLXBNLC-UHFFFAOYSA-N 252.235 3.865 0 40 CHAB CCCCC(=O)Nc1nnc(-c2ccccc2Cl)o1 4275924 XISRDAOKSVJOSO-UHFFFAOYSA-N 279.727 3.519 0 40 CHAB CCC[C@H]1[C@@H](CC)C=C(CC)[C@H](O)[C@@]1(CC)CO 5707153 YFEVEUYLZHKMAO-TUUVXOQKSA-N 254.414 3.529 0 40 CHAB CC(=O)Nc1ccc(Oc2ccc3nc(C)[nH]c3c2)cc1 6499225 SLVPQPIWUUYFGR-UHFFFAOYSA-N 281.315 3.622 0 40 CHAB Cc1ccnc(NC(=O)C2(c3ccccc3)CCCC2)c1 6815331 ZKFLWOUNDGBXLZ-UHFFFAOYSA-N 280.371 3.841 0 40 CHAB Cc1cccc(CC(=O)Nc2cc(C)cc(C)c2)c1 8723338 SEWSRBZNTKMSBJ-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CCCn1c(NCc2ccc(O)cc2)nc2ccccc21 9262001 AMVXQKGIDQPCED-UHFFFAOYSA-N 281.359 3.764 0 40 CHAB C[C@H](c1cccs1)N(C)CC(=O)Nc1cccc(F)c1 9446091 JXSZMWXKHSLKPC-LLVKDONJSA-N 292.379 3.519 0 40 CHAB O=C(Nc1ccccc1)C1=C(c2ccccc2)SCCO1 12323380 MNYLAPPRXUYQLD-UHFFFAOYSA-N 297.379 3.757 0 40 CHAB Cc1cccnc1NC(=O)CCCc1c[nH]c2ccccc12 12526492 FSZPZKHZGAVQBG-UHFFFAOYSA-N 293.370 3.833 0 40 CHAB Cc1cs/c(=N\c2ccccc2)n1Cc1ccco1 12563254 ILJNOHUGKWDDCJ-NXVVXOECSA-N 270.357 3.732 0 40 CHAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1 12698228 RQQWJDZISOFPKN-CYBMUJFWSA-N 284.359 3.535 0 40 CHAB c1ccc(CCCNc2ncnc3ccccc23)cc1 13476428 OAPMCZLOWYUSSD-UHFFFAOYSA-N 263.344 3.675 0 40 CHAB in-vivo COc1ccccc1CNC[C@H](C)c1ccccc1 13718445 DPGWXSRIXDROHQ-AWEZNQCLSA-N 255.361 3.589 0 40 CHAB CC(C)N(CCNC(=O)c1ccc2ccccc2c1)C(C)C 14182298 QFJUWIJFTJYYNG-UHFFFAOYSA-N 298.430 3.688 0 40 CHAB COc1ccc(CNC(=O)Nc2cccc(C)c2C)cc1 17009311 ZIWLTNOLPFNXSX-UHFFFAOYSA-N 284.359 3.634 0 40 CHAB O=Cc1ccc(OCc2ccccc2Cl)c(F)c1 20079323 FELURIPOLGBEEJ-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCCCCC1 20454007 YAAYFBOHLPRVFG-QGZVFWFLSA-N 289.419 3.863 0 40 CHAB C[C@H]1CCc2onc(C(=O)Nc3ccccc3Cl)c2C1 20572150 WJFTYKBOURYDJI-VIFPVBQESA-N 290.750 3.705 0 40 CHAB CCCCSCC(=O)Nc1ccc(CC)cc1 27233164 MXCCMCYSRJJNMC-UHFFFAOYSA-N 251.395 3.721 0 40 CHAB O=C(Nc1ccc(-n2cccn2)cc1)Nc1cccc(F)c1 27917752 TZRQQYPBYFQZDT-UHFFFAOYSA-N 296.305 3.655 0 40 CHAB Cn1ccnc1SCc1cc(-c2ccc(F)cc2)no1 32322616 ACLPJGAKAGJEFQ-UHFFFAOYSA-N 289.335 3.507 0 40 CHAB O=c1c2cc3ccccc3oc-2nn1-c1cccc(Cl)c1 33020895 LLVWSGLPZHDGMX-UHFFFAOYSA-N 296.713 3.737 0 40 CHAB CC(=O)c1oc2ccc(Br)cc2c1C 34972238 CITFRXXYNBYKMQ-UHFFFAOYSA-N 253.095 3.706 0 40 CHAB CCC[C@@H](C)N(C)C(=O)c1cnc(Cl)c(Cl)c1 35239225 DHFIYBFLBWEFAM-MRVPVSSYSA-N 275.179 3.649 0 40 CHAB O=C(c1ccc(Cl)c(Cl)c1)c1ccccn1 38977880 RCFPXGFATRVHLV-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB COc1ccc(OC)c(CN(Cc2ccccc2)C2CC2)c1 40051440 IVQNBTXJWORFBM-UHFFFAOYSA-N 297.398 3.868 0 40 CHAB CN(Cc1ccccc1)c1ccc2cccc(O)c2n1 41669456 KGVZDBPKKNJLQW-UHFFFAOYSA-N 264.328 3.577 0 40 CHAB C/C=C/C=C/C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 44687721 DTLKMZWUSHTTNX-WXJWXOSTSA-N 273.376 3.850 0 40 CHAB Clc1ccc(-c2nc3ccccc3o2)cc1-n1cnnc1 45887475 OQJHMIXLRNWUFE-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB O=C(Nc1ccccc1)c1cc(-c2cccc(F)c2)no1 46895242 SMPHORVUFHZZPN-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB Oc1nc(C(F)(F)F)ccc1-c1cccc(F)c1 47204637 MZZPOSDQWNQBSE-UHFFFAOYSA-N 257.186 3.612 0 40 CHAB CC[C@@H]1CCCCN1Cc1ccc(-n2cccn2)cc1 48288834 UHYNQMDIAZOFPE-MRXNPFEDSA-N 269.392 3.637 0 40 CHAB CCCCOc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 48333160 YRSDFQZXOVAWKL-INIZCTEOSA-N 287.403 3.838 0 40 CHAB Cc1ncc(CN(C)C(=O)NC2CCCCCCC2)s1 56370990 YFHXUWKSJVVHKS-UHFFFAOYSA-N 295.452 3.706 0 40 CHAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1nc(-c2ccccc2)c[nH]1 58249807 RFFFRIKXVFOSEF-UKRRQHHQSA-N 295.386 3.610 0 40 CHAB C[C@@H](O)c1nc2ccc(-c3cccc4cccnc34)cc2[nH]1 67435064 AWSHEGAPPCRVOM-LLVKDONJSA-N 289.338 3.831 0 40 CHAB CCOc1ccccc1NC(=O)Cc1cccc(Cl)c1 67788804 KEIRNSSTHRTFHP-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB C[C@@H](SC1CCCC1)C(=O)Nc1cccnc1Cl 68934937 CVWJXNNFVRZQHD-SECBINFHSA-N 284.812 3.738 0 40 CHAB CC(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 69900605 PBKOZHHZYPKWPB-SNVBAGLBSA-N 274.389 3.624 0 40 CHAB Cc1ccc2[nH]c([C@H](O)c3ccccc3)c(C)c2c1 72434059 WYSJRBNZOUNUBJ-QGZVFWFLSA-N 251.329 3.866 0 40 CHAB CCCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344394 KSVCJTXCSVZUBE-RYUDHWBXSA-N 272.175 3.623 0 40 CHAB O=C(O)/C=C/c1ccc2cc(Br)ccc2c1 83324758 GTIXEGDLKLOFMD-QHHAFSJGSA-N 277.117 3.700 0 40 CHAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCCCCC1 89473560 NXVTVCNJNZLOSF-JKSUJKDBSA-N 287.403 3.591 0 40 CHAB Cc1ccc(-c2ncco2)cc1NC1CCSCC1 92174549 BUKWRFXBGOUZJU-UHFFFAOYSA-N 274.389 3.958 0 40 CHAB C[C@@H]1C[C@@H](c2ccsc2)CN1Cc1ccncc1 95401543 DJPDQXZFCVTWSO-IUODEOHRSA-N 258.390 3.521 0 40 CHAB Cc1ccc(NC(=O)c2cccc(F)c2Cl)cc1O 95427756 NJFQYHPSDYZAEJ-UHFFFAOYSA-N 279.698 3.745 0 40 CHAB CSc1ccc(-c2ccnc3nc(C4CCC4)nn23)cc1 95480573 GTAGPIVLEKKQED-UHFFFAOYSA-N 296.399 3.781 0 40 CHAB CC[C@H](C)[C@H]1CCCCN1c1ccc(C(F)(F)F)nn1 95985535 WBBSHRGEYHVTAG-WDEREUQCSA-N 287.329 3.900 0 40 CHAB CC(C)Oc1ccc(CN[C@@H](C)C2CCOCC2)cc1F 96477238 XYWNLUWXDKYXHE-ZDUSSCGKSA-N 295.398 3.518 0 40 CHAB CCOc1ccccc1NC(=O)Cc1ccc(CC)cc1 129249475 NCEGQFXJMOIIHC-UHFFFAOYSA-N 283.371 3.829 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1Cl 162789154 GBFHPMAFVDJBHM-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB COC(=O)[C@@H](C)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223192597 YGJHPKSBIURIQA-LLVKDONJSA-N 293.794 3.903 0 40 CHAB CC[C@@H](C)C(=O)c1ccc(Br)c(F)c1 229251026 ITOTYTGDHRUONM-SSDOTTSWSA-N 259.118 3.817 0 40 CHAB O=C(Cc1c(F)cccc1Cl)N1CCC(=C2CC2)CC1 238838725 HIMGQNQQAXLYTH-UHFFFAOYSA-N 293.769 3.734 0 40 CHAB CC(C)c1ccccc1NC(=O)COc1ccccc1 128336 HQNAOHAIKXJFDD-UHFFFAOYSA-N 269.344 3.828 0 40 CHAB CCOc1ccc(Cl)cc1CN1CCCCC1 530039 KYOSLKSRHLEPAC-UHFFFAOYSA-N 253.773 3.725 0 40 CHAB Cc1ccn2c(C=O)c(-c3ccc(Cl)cc3)nc2c1 1527452 YPRMQZGTZBFSLQ-UHFFFAOYSA-N 270.719 3.776 0 40 CHAB O=Cc1cc(COc2cccc(Cl)c2)cs1 2554624 GPRJCMGYXHZFMD-UHFFFAOYSA-N 252.722 3.793 0 40 CHAB COc1cc(C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1C 3565947 XFXJILBPFURLPD-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB Cc1ccccc1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 884777 NKHLOYGLKGGALJ-UHFFFAOYSA-N 296.395 3.839 0 40 CHAB CCOC(=O)c1cc(C(C)(C)C)cc(Cl)c1OC 57339281 YYCTUDQZUJINIS-UHFFFAOYSA-N 270.756 3.823 0 40 CHAB COc1ccc(Cl)cc1CN[C@H](C)c1ccccn1 35180213 JCUSQZFAACMOTP-LLVKDONJSA-N 276.767 3.594 0 40 CHAB C[C@H](O)C[C@@H](CN[C@H](C)C(C)(C)C)c1ccccc1 108324672 AHRAFDULWVDUBJ-LZWOXQAQSA-N 263.425 3.565 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 57541848 NUFBFLBABAIKHH-KJRVYASESA-N 278.355 3.847 0 40 CHAB O=C(NCCCF)N(c1ccccc1)c1ccccc1 97082835 IZGUBIIFPCMXGB-UHFFFAOYSA-N 272.323 3.894 0 40 CHAB CCc1nonc1NC(=O)c1oc2cc(C)cc(C)c2c1C 27580544 XUFPAYZKWOXXOU-UHFFFAOYSA-N 299.330 3.556 0 40 CHAB CCn1/c(=N/c2ccc(OC)cc2)ccc2ccccc21 13286452 WUBIVQSIQLGVCT-VHEBQXMUSA-N 278.355 3.902 0 40 CHAB CC(C)c1noc(CN[C@@H](C)c2ccc(Cl)cc2)n1 65591534 ASHVLFIKZGQBJS-JTQLQIEISA-N 279.771 3.697 0 40 CHAB O=C(CCc1ccco1)NCc1ccc(C(F)(F)F)cc1 14167550 JNEHJJSEPDPGPW-UHFFFAOYSA-N 297.276 3.547 0 40 CHAB COc1ccccc1-c1cc(-c2ccccc2F)nc(N)n1 71978107 DJXSJAOCORNTRN-UHFFFAOYSA-N 295.317 3.541 0 40 CHAB CCc1cc(N)cc(C)c1NC(=O)c1cccc(F)c1 45888809 ORNHSRNBAOZQKE-UHFFFAOYSA-N 272.323 3.531 0 40 CHAB CCCCc1ccc(C(=O)C[C@H](C)CC(=O)O)cc1 15441771 JIJAHSARWNVTJE-LBPRGKRZSA-N 262.349 3.713 0 40 CHAB C[C@@H]1Cc2ccccc2N1Cc1ccc(-n2ccnc2)cc1 7738375 ZARFRCIHTURGPR-OAHLLOKOSA-N 289.382 3.824 0 40 CHAB CCCc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 16126974 LPTZVFRUDVGZHP-UHFFFAOYSA-N 293.363 3.579 0 40 CHAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)cc2O)cc1 8189244 LIKLXBFZEPEJTC-UHFFFAOYSA-N 297.354 3.611 0 40 CHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccncc1 8707742 HKQBWQDONBIHTF-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB O=C(Nc1cccc2cnccc12)N1CCCCCC1 43168380 RYJHWHCZRGBGBX-UHFFFAOYSA-N 269.348 3.643 0 40 CHAB O=C(c1ccncc1Cl)N(CC1CC1)c1ccccc1 84243130 XBFHHJLHWZIFIJ-UHFFFAOYSA-N 286.762 3.792 0 40 CHAB C[C@@H](N[C@H](c1ccccc1)c1ccccn1)c1cccnc1 89910060 TYIPUAYJUVNGSX-DNVCBOLYSA-N 289.382 3.917 0 40 CHAB O=C(NCCSCc1cccs1)c1ccc(F)cc1 408906334 GJJQVRSTMVREJB-UHFFFAOYSA-N 295.404 3.550 0 40 CHAB O=C(CC1CCCCC1)N1CCc2sccc2C1 32883731 RUHSLDAZPDJZOF-UHFFFAOYSA-N 263.406 3.603 0 40 CHAB Cc1cccc(CC(=O)N2CC[C@@H](c3ccccc3)C2)c1 38566913 ROHQRMYPMYHZHO-GOSISDBHSA-N 279.383 3.554 0 40 CHAB C[C@@H](OCC(F)(F)F)C(=O)Nc1cccc2ccccc12 31663712 UKPMJZICZMHGPK-SNVBAGLBSA-N 297.276 3.746 0 40 CHAB C[C@@H](c1cccs1)N(C)C(=O)c1cnc2ccccc2n1 33235921 QSVLYEOHESJTMO-NSHDSACASA-N 297.383 3.525 0 40 CHAB CCc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1 35188764 ITLXIIGJDNODDY-LBPRGKRZSA-N 269.344 3.555 0 40 CHAB CC(C)(C)Sc1ncccc1[C@H]1CCCCN1C=O 72217454 ILTRODOMRGQNIX-CYBMUJFWSA-N 278.421 3.656 0 40 CHAB CCN(Cc1ccccc1)c1ccc(Br)cn1 36382091 DEWZPKYMXDGZTB-UHFFFAOYSA-N 291.192 3.871 0 40 CHAB Cc1cc(N2CCCCCC2)ncc1[C@H](O)c1ccccc1 72223528 SZBDFTNEKINXTN-LJQANCHMSA-N 296.414 3.852 0 40 CHAB CC(=O)Oc1ccccc1C(=O)c1ccc(C(C)C)cc1 43209771 KXQUBSAYMZBEGO-UHFFFAOYSA-N 282.339 3.966 0 40 CHAB Cc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1 40964775 LNWYBAVOVYOEQE-UHFFFAOYSA-N 269.373 3.645 0 40 CHAB CC(C)c1ccc2c(cnn2C(=O)OC(C)(C)C)c1 95098257 XDAUEQRNVHPVMJ-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB C[C@H]1CC[C@@H]1COc1cccc(Br)c1 96526376 DHBMWRKKVRQTQA-VHSXEESVSA-N 255.155 3.874 0 40 CHAB CC[C@@H](C(=O)OC)N1c2ccccc2[C@H](C)CC1(C)C 260624754 UPYAGBPDYXVJCD-OCCSQVGLSA-N 275.392 3.730 0 40 CHAB COc1ccc(C(=O)c2cccc(SC)c2)cc1OC 95917200 HKSYBVVFMJKOCA-UHFFFAOYSA-N 288.368 3.657 0 40 CHAB O=C(C[C@H]1CCCC1(F)F)Nc1ccc2cnccc2c1 822283748 VNQNKYPMIMYZJX-CYBMUJFWSA-N 290.313 3.999 0 40 CHAB Cc1ccncc1NC(=O)C(C)(C)c1cccc(Cl)c1 76343934 QOWQEKIGADCHLL-UHFFFAOYSA-N 288.778 3.960 0 40 CHAB O=C(CC1CCCCC1)N1CC[C@@H](c2ccccc2)C1 38566890 GRFXBQPUESHYFX-QGZVFWFLSA-N 271.404 3.973 0 40 CHAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccccc1 6061149 IBPJBGKBHKKTNI-UKTHLTGXSA-N 285.324 3.516 0 40 CHAB FC(F)(F)[C@]1(c2ccc(Br)cc2)CCO1 1772820933 ASELYVKOWZUBFK-SECBINFHSA-N 281.071 3.627 0 40 CHAB O=C1CCC(c2ccc(Cl)cc2)=NN1c1ccccc1 5519483 NEOMDMOZBNSVAN-UHFFFAOYSA-N 284.746 3.871 0 40 CHAB Cc1ccc(CNC(=O)CCCOc2ccc(C)cc2)cc1 14401161 IJEWETFCMVVLER-UHFFFAOYSA-N 297.398 3.779 0 40 CHAB Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccc(F)cc2)c1 14573667 IGTYIEAXYIFLFT-CQSZACIVSA-N 285.362 3.862 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(F)c2)c1C 15366673 UXUMTBQJMYLQBS-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB CCOC(=O)c1cc(/C=C\c2ccc(Cl)cc2)on1 5567809 IRILQNBBXIRKNC-YVMONPNESA-N 277.707 3.675 0 40 CHAB Cc1cc(C)c(/C=C2/C(=O)Nc3ccc(Cl)cc32)[nH]1 31356634 XLBQNZICMYZIQT-KPKJPENVSA-N 272.735 3.778 0 40 CHAB in-vitro CC(C)(Cc1ccccc1)NC(=S)Nc1ccccc1 223135157 SABMWZLIJCDWNW-UHFFFAOYSA-N 284.428 3.994 0 40 CHAB Cc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1 4201495 XZRPLHHRCXYIGK-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB C[C@H]1CCC[C@@H](C)N1Cc1cn2cc(Cl)ccc2n1 5072461 GCTZSZZKSHJBJN-TXEJJXNPSA-N 277.799 3.751 0 40 CHAB CC(=O)Nc1cc(Br)ccc1C(C)(C)C 19801612 VCXVBMOXCQHETO-UHFFFAOYSA-N 270.170 3.705 0 40 CHAB CSc1ccc2nc(N3CC[C@H](CF)C3)sc2c1 2086988598 ZOLUPSVOJOADAW-SECBINFHSA-N 282.409 3.814 0 40 CHAB O[C@@](CNc1nc2ccccc2o1)(c1ccccc1)C1CC1 1775971131 WITQNUFHDTUDQS-SFHVURJKSA-N 294.354 3.538 0 40 CHAB c1cnc2c(SCc3cn4cccnc4n3)cccc2c1 67278 IHHLEMBZQJLZMQ-UHFFFAOYSA-N 292.367 3.570 0 40 CHAB Cc1nn(C)c(Cl)c1CN(CC1CC1)C1CCCCC1 78460043 CSLCWZIWJDXDQJ-UHFFFAOYSA-N 295.858 3.927 0 40 CHAB COc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 102198168 PJTPDGXXNRKORF-USJZOSNVSA-N 297.398 3.571 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101290831 OPJVYVKELWZCHS-RRCSTGOVSA-N 257.377 3.550 0 40 CHAB O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1CC1 25929349 LCZLDDGUHUJIQK-UHFFFAOYSA-N 268.316 3.568 0 40 CHAB Cc1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]3CC[C@H]1C3)CCCO2 108158796 OVUDQDIZYSKZTN-SOUVJXGZSA-N 285.387 3.547 0 40 CHAB Cc1ccc(C)c(C(=O)N2CCC[C@H]2c2ccncc2)c1 27269386 PGDIAPNBAJWEFP-KRWDZBQOSA-N 280.371 3.676 0 40 CHAB COCCCCC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 84697761 YWQQYBUILSAQBP-CXAGYDPISA-N 293.382 3.552 0 40 CHAB C[C@@]12CC[C@@H]3[C@H](CC[C@H]4OCCC[C@@]43C)[C@@H]1CC[C@@H]2O 104378923 JMNISNRAJNKYBE-LSIGDULCSA-N 278.436 3.769 0 40 CHAB O[C@H](CN1CC=C(c2ccccc2)CC1)c1ccccc1 2651815 IWAGAOQLMHUERY-LJQANCHMSA-N 279.383 3.509 0 40 CHAB CC(C)c1ccc(OCCNC(=O)[C@@H]2CC=CCC2)cc1 48498834 JETYGGPNMXLZAB-MRXNPFEDSA-N 287.403 3.661 0 40 CHAB O=C(NCc1cccc(Cl)c1)c1cccc2ncccc12 9054002 WXPPBUUUXUOJOH-UHFFFAOYSA-N 296.757 3.818 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 4081943 VMYTXBKVYDESSJ-HKQXQEGQSA-N 288.431 3.879 0 40 CHAB biogenic,in-vitro S=C1NC2(CCCCC2)Nc2sc3c(c21)CCCC3 4133401 SRZXWWWQRGYZMW-UHFFFAOYSA-N 292.473 3.978 0 40 CHAB C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccccc2O)o1 14110850 KYKGYKJCXZAODC-WCQYABFASA-N 285.343 3.680 0 40 CHAB COc1cc(C)c(NC(=O)c2cccc(C)c2)cc1OC 5616924 LSUUXUNMLRPZKW-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB COc1cccc(-c2csc(-c3ccccn3)n2)c1 6809621 TZZPCEFPPUOUJG-UHFFFAOYSA-N 268.341 3.881 0 40 CHAB O=C(OCCOc1ccccc1F)c1c[nH]c2ccccc12 7508193 NDXLZMCJSGFDOI-UHFFFAOYSA-N 299.301 3.543 0 40 CHAB CC(C)n1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C)C3 17023616 RODOWUVBULQFAY-QMMMGPOBSA-N 294.445 3.826 0 40 CHAB O=C(CC(F)(F)F)N1CCCC[C@H]1Cc1ccccc1 69492776 OLTNYKHXRCIORG-ZDUSSCGKSA-N 285.309 3.563 0 40 CHAB CCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 69456461 SNUMXPABVABWOK-LBPRGKRZSA-N 271.282 3.779 0 40 CHAB COc1ccc(C(C)=O)cc1CNC1(c2ccccc2)CC1 69559804 PAKVQGFCJXBAQD-UHFFFAOYSA-N 295.382 3.677 0 40 CHAB O=C(C[C@@H]1C=CCC1)NCc1ccc(-c2cccnc2)cc1 89794102 VTYZMOSLXRXXGT-OAHLLOKOSA-N 292.382 3.721 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCC[C@H](C)C1 20459782 XEOZATYRTSGXIK-HOCLYGCPSA-N 289.419 3.719 0 40 CHAB COc1ccc2nccc(Nc3cccc(N)c3)c2c1 64875369 XZRSNIXCXNHUSN-UHFFFAOYSA-N 265.316 3.569 0 40 CHAB CN1/C(=C/C=C\C=[N+]2CCCCC2)Sc2ccccc21 31948788 XLSOROZAILXFBN-UHFFFAOYSA-N 285.436 3.893 0 40 CHAB c1ccc(-c2ccc(Oc3nccn4cnnc34)cc2)cc1 537793164 UUKKAQXMCWGGJK-UHFFFAOYSA-N 288.310 3.584 0 40 CHAB CCc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1 61838014 KTTHJBHEQPAGJP-UHFFFAOYSA-N 264.246 3.897 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccco2)o1 72243280 UUUXKEVTCCXUCY-LLVKDONJSA-N 259.305 3.554 0 40 CHAB C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccccc1F 78556017 GREDOJNTQLJTQA-WLRWDXFRSA-N 280.339 3.975 0 40 CHAB C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(F)cc1 78556234 VITAQECVULGQBJ-JEOXALJRSA-N 280.339 3.975 0 40 CHAB CCCNCc1c(C)[nH]c2ccc(OC(C)C)cc12 223766438 CBINGOPATWEOHA-UHFFFAOYSA-N 260.381 3.763 0 40 CHAB C=CC(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 41091580 RASDPEJGIZCCHK-UHFFFAOYSA-N 282.274 3.758 0 40 CHAB O=C(NCc1ccccc1)Nc1ccc(Cl)cc1F 48470281 ICDQZQDDTMMRDP-UHFFFAOYSA-N 278.714 3.801 0 40 CHAB Cc1cc(CO)cc(C)c1OC(=O)c1ccccc1Cl 256052970 PKFHTNYKISNYQH-UHFFFAOYSA-N 290.746 3.668 0 40 CHAB CC1(C)C(C(=O)Nc2cccc(Cl)c2)C1(C)C 126432 BQBSPLDDIVVJSS-UHFFFAOYSA-N 251.757 3.961 0 40 CHAB CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1 5438703 BTTJFKLMNCPEEW-LJQANCHMSA-N 294.803 3.734 0 40 CHAB Cc1cccc(C2=N/C(=C/C=C\c3ccccc3)C(=O)O2)c1 17023232 IWRNNCWDOYZRTJ-LROUVQFUSA-N 289.334 3.896 0 40 CHAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1 17916202 STSQLDQLHLJZBZ-NSHDSACASA-N 291.753 3.899 0 40 CHAB CC(=O)c1cc(Br)cc(C(F)(F)F)c1F 575689889 KVBYNEMZUUCSQM-UHFFFAOYSA-N 285.034 3.810 0 40 CHAB CC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1 967839 WWMCCCSLQVOFKE-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB biogenic,in-vitro CCN(Cc1csc(C)n1)[C@H](C)c1cccc(O)c1 79020192 UCNSEHXGZHNSQW-LLVKDONJSA-N 276.405 3.740 0 40 CHAB C[C@H]1CCC[C@H](C)N1CCCOc1ccc(C=O)cc1 217790399 PFGDLLKEWPKCDC-GJZGRUSLSA-N 275.392 3.531 0 40 CHAB Cc1csc(CNC(=O)Nc2ccc(F)c(Cl)c2)n1 40525925 RUOUPBYDSYDOMO-UHFFFAOYSA-N 299.758 3.566 0 40 CHAB O=C(O)c1occc1/C=C/c1ccc2ccccc2n1 32824927 WVTJOGRFLHQQTG-SOFGYWHQSA-N 265.268 3.696 0 40 CHAB CC(=O)OC[C@@]12COC3(CCCC3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 121104 DNFFPEBVRBASNE-NXNVCVFFSA-N 292.419 3.727 0 40 CHAB biogenic Cc1ccc(OCc2nc(-c3ccccc3)no2)cc1 496762 QXOWFMYRZSTHIB-UHFFFAOYSA-N 266.300 3.624 0 40 CHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(Cl)cc1 586903 JVGNLONVVBKBML-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB COc1cccc2c1SCc1ccccc1[C@@H]2CN(C)C 2021860 OMKCSQWWLSDBSG-INIZCTEOSA-N 299.439 3.994 0 40 CHAB CCCCCCC(=O)Nc1nnc(SCC)s1 2083911 YXLHFILBMLNKRK-UHFFFAOYSA-N 273.427 3.559 0 40 CHAB O=C(Nc1ccc(SC(F)F)cc1)c1ccco1 3597871 SZPZFVUCGOJJJP-UHFFFAOYSA-N 269.272 3.847 0 40 CHAB CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2 4613823 YYKMUKAEOPCXEZ-UHFFFAOYSA-N 295.404 3.541 0 40 CHAB COc1ccc2oc(-c3ccc(C)c(NC(C)=O)c3)nc2c1 4703827 KQHMBEGVERCHJW-UHFFFAOYSA-N 296.326 3.770 0 40 CHAB c1ccc2c(c1)oc1c(Nc3ccncc3)ncnc12 5338590 WTWVSEWKPMDNPF-UHFFFAOYSA-N 262.272 3.515 0 40 CHAB Cc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 5557377 SEBFDSUIBCQAFK-UHFFFAOYSA-N 269.388 3.694 0 40 CHAB CCNC(=O)c1cc(-c2cccs2)nc2ccccc12 6046675 ZIXAXZFLRVZORU-UHFFFAOYSA-N 282.368 3.713 0 40 CHAB Cc1ccc2[nH]c([C@H]3CC[C@@](C)(C(=O)O)C3(C)C)nc2c1 6413535 OBWBVBGCJSKNJY-DIFFPNOSSA-N 286.375 3.866 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1cc(F)ccc1F 9951285 DQRCEQFPLHSKOU-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2ncnc3c2oc2ccccc23)C1 12614806 RWDOVQVCAOWQNK-VXGBXAGGSA-N 281.359 3.858 0 40 CHAB Fc1ccc(-c2c(-c3ccncc3)[nH]c3nccnc23)cc1 13528360 LXTFKKVJJMDQNR-UHFFFAOYSA-N 290.301 3.826 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1ccccc1 13674856 COFFEOKUCIRRPA-GETOMWPZSA-N 263.340 3.678 0 40 CHAB Cc1cc(C)cc(CSc2nnc(-c3ccc[nH]3)o2)c1 14095997 GFFFHYWGJGCCQY-UHFFFAOYSA-N 285.372 3.974 0 40 CHAB CC(C)NC(=O)CCc1ccc(-c2ccc(F)cc2)o1 15867438 KXULREAGMGNFKP-UHFFFAOYSA-N 275.323 3.543 0 40 CHAB O=Cc1oc2ccc(Br)cc2c1Cl 16742537 UTDBXOWFKAJKNX-UHFFFAOYSA-N 259.486 3.661 0 40 CHAB Cc1ccc(S(=O)(=O)Oc2cc(C)ccc2Cl)cc1 21820584 LLYAKMBDAZDUFY-UHFFFAOYSA-N 296.775 3.725 0 40 CHAB O=C(Nc1ccc2oc3ccccc3c2c1)C1CC1 23702789 DMWHNABSWPVZQX-UHFFFAOYSA-N 251.285 3.935 0 40 CHAB CC[C@@H](C)NC(=O)c1sc(Cc2ccccc2)nc1C 28241412 ROGNJDANASOIEO-LLVKDONJSA-N 288.416 3.571 0 40 CHAB CC(=O)Nc1ccc(Nc2ncnc3ccccc23)cc1C 30775123 GXOYVVZYGDXGIV-UHFFFAOYSA-N 292.342 3.640 0 40 CHAB COc1ccc(NC(=O)C2[C@H]3CC/C=C/CC[C@H]23)cc1 31906018 IMMWUAGAFWRTBP-TZARZLCXSA-N 271.360 3.626 0 40 CHAB Cc1ccccc1OCc1ccc(C(=O)NCC(C)C)o1 32610785 HHXQFPWFTBOBFQ-UHFFFAOYSA-N 287.359 3.553 0 40 CHAB C[C@H](CC(=O)N1CCn2cccc2[C@H]1C)c1ccccc1 32753024 WILUHJAHOAKCQN-HUUCEWRRSA-N 282.387 3.585 0 40 CHAB CC[C@@H](C)n1cc(/C=C2\NC(=O)N=C2O)c2ccccc21 33286441 SXTTULFGFHDIBZ-GARZTLJTSA-N 283.331 3.633 0 40 CHAB CC(C)Oc1c(C(=O)O)oc2ccc(Cl)cc12 39043346 MVXWVMIWZDLISY-UHFFFAOYSA-N 254.669 3.572 0 40 CHAB CC[C@@H](C)n1c(CCCN)nc2cc(Cl)ccc21 40408311 FRFYXETXTQLVLL-SNVBAGLBSA-N 265.788 3.552 0 40 CHAB C[C@H](O)c1nc2cc(Cl)ccc2n1Cc1ccccc1 40417826 RPQZYGCICJJEKJ-NSHDSACASA-N 286.762 3.791 0 40 CHAB CCOc1cccc(C(=O)Nc2c(C)cc(N)cc2C)c1 45889278 KAMCHEWHBZSEQU-UHFFFAOYSA-N 284.359 3.537 0 40 CHAB COc1ncc(C(F)(F)F)cc1-c1ccc(F)cc1 47204812 NMKBCYQWPXELBL-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB CS[C@@H](C)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 48706568 SJQCDWPWKOLGQQ-VIFPVBQESA-N 296.417 3.710 0 40 CHAB N[C@H](c1ccccc1)c1ccccc1OC(F)(F)F 55206058 JPQLKGFRFAHSKP-CYBMUJFWSA-N 267.250 3.633 0 40 CHAB Cc1cccc(C(=O)c2ccc(F)c(F)c2F)c1 61838023 NDMXAVYODGPZFR-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB COc1cccc(C(=O)NCc2ccc3ccccc3c2)c1 71861485 COPUKPBXMJZXGH-UHFFFAOYSA-N 291.350 3.778 0 40 CHAB CC(C)CN1CCCC[C@@H]1c1ccc(Cl)nc1 72211465 NXMZQKFCVOUEDO-CYBMUJFWSA-N 252.789 3.918 0 40 CHAB CSc1ncccc1[C@H]1CCCN1CC(C)C 72216944 OFXOYTSIHFBOAY-CYBMUJFWSA-N 250.411 3.596 0 40 CHAB CCN1CCC[C@@H]1c1cnc(N2CCCCC2)cc1C 72219211 UCHFJJKMYARSRW-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB Cc1ncc(NC(=O)c2cccc(F)c2)c(C)c1Cl 72264666 DHZLWCCXHCFWAO-UHFFFAOYSA-N 278.714 3.743 0 40 CHAB Cc1cccc(-c2cccc([C@H]3CCCNC3)n2)c1 72343726 MQTGIXTUENESDK-HNNXBMFYSA-N 252.361 3.524 0 40 CHAB COc1ccc(-c2nc3ncccc3o2)cc1Cl 73639229 QNUWWZONHKUPEE-UHFFFAOYSA-N 260.680 3.552 0 40 CHAB COc1ccccc1[C@@H](C)SCc1cnc(C)cn1 78932001 HZQUIPBRQIPJND-GFCCVEGCSA-N 274.389 3.788 0 40 CHAB CCN(C(=O)c1c(F)cccc1F)c1ccccc1C 84847176 MQXQBOFYUDISAN-UHFFFAOYSA-N 275.298 3.940 0 40 CHAB OCc1cn(Cc2c(F)cccc2Cl)c2ccccc12 91006463 WZICYWGAGUVKBV-UHFFFAOYSA-N 289.737 3.974 0 40 CHAB Cc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 102939782 GZTRXDNKWBCGQK-HNNXBMFYSA-N 258.365 3.791 0 40 CHAB CC(=O)Nc1cc(OCc2ccccc2)ccc1C 199625742 VABSKJBYRQLYDO-UHFFFAOYSA-N 255.317 3.532 0 40 CHAB CC(C)(C)NC(=O)CCc1ccc(Cl)c(Cl)c1 201717764 FMSJYZBVAZPEPI-UHFFFAOYSA-N 274.191 3.841 0 40 CHAB COC(=O)/C=C/c1ccc(-c2ccc(OC)c(Cl)c2)o1 216765124 BUFQMDDUVGHYCC-VMPITWQZSA-N 292.718 3.795 0 40 CHAB CC[C@@H](C(=O)O)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223197652 PRINFNJWELKMDJ-JSGCOSHPSA-N 275.392 3.950 0 40 CHAB O=C(NCC1=CCCCC1)c1ccc(N2CCCCC2)cc1 224124093 KRFIDFSPUXNVIU-UHFFFAOYSA-N 298.430 3.907 0 40 CHAB CC[C@@H](NC(=O)c1cccnc1)c1ccc(C)c(C)c1 225431882 LLZBYKMQTLCMST-MRXNPFEDSA-N 268.360 3.580 0 40 CHAB S=C(Nc1ccccc1)NC1(c2ccccn2)CCCC1 225840237 JAKHOQQBLIYEPO-UHFFFAOYSA-N 297.427 3.838 0 40 CHAB C[C@@H](NC(=O)c1conc1-c1ccccc1)c1ccccc1 225870645 PZCLSJOEDYBELX-CYBMUJFWSA-N 292.338 3.833 0 40 CHAB c1cncc(-c2nc3cc(-n4cccc4)ccc3o2)c1 226246836 IQEXUXQAQYLUBZ-UHFFFAOYSA-N 261.284 3.681 0 40 CHAB Cc1c(N)cccc1[C@H](O)c1ccc2c3c(cccc13)CC2 226295772 ASDKZTANJSOSAS-FQEVSTJZSA-N 289.378 3.911 0 40 CHAB CCc1cc(N)ccc1-c1cc2ccccc2oc1=O 226314799 KSJWRGOGTKIETM-UHFFFAOYSA-N 265.312 3.605 0 40 CHAB Fc1ccc(CNc2cnn(CCC(F)(F)F)c2)s1 256049476 ABYRWLQRQYPOEW-UHFFFAOYSA-N 293.289 3.648 0 40 CHAB CCCCOCc1nn(C2CCCC2)cc1Cl 408715235 HGBUSGNFWNHNAO-UHFFFAOYSA-N 256.777 3.968 0 40 CHAB CCCCOCc1nn(CCC(F)(F)F)cc1Cl 408715426 NPZPAEVDOFPLHE-UHFFFAOYSA-N 284.709 3.806 0 40 CHAB O=C(c1cc(OC(F)(F)F)ccc1Cl)C(F)(F)F 575361533 PKRPEZMWGXKUHW-UHFFFAOYSA-N 292.562 3.984 0 40 CHAB Cc1cccc(C)c1Nc1nnc(C(F)(F)F)s1 73504 HRKVYPGJVFIFEX-UHFFFAOYSA-N 273.283 3.917 0 40 CHAB Cc1c2c3n(c4c(F)c(F)ccc4n3c1C=O)CCCC2 106998 PWZRPECFWUZNRS-UHFFFAOYSA-N 288.297 3.629 0 40 CHAB Fc1ccc(NC(=S)NCC2CCCCC2)cc1 500449 ZZFNSQPMETUGPA-UHFFFAOYSA-N 266.385 3.692 0 40 CHAB Cc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 570444 LPJPLLPCHWDFRF-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB Cc1nn2c(-c3cccs3)ccnc2c1Br 1386185 RCUDGVPFWHYBKJ-UHFFFAOYSA-N 294.177 3.529 0 40 CHAB Cn1cc([C@H](OC(=O)C2CC2)C(F)(F)F)c2ccccc21 1399173 IDMIFTNWHWKWTP-ZDUSSCGKSA-N 297.276 3.735 0 40 CHAB O=c1oc(-c2ccccc2Cl)nc2ccsc12 1399287 RVSYWOORIBXTII-UHFFFAOYSA-N 263.705 3.570 0 40 CHAB Cc1oc2ccc(O)cc2c1C(=O)NC1CCCCC1 4136953 PPFFRMPQQDVGEI-UHFFFAOYSA-N 273.332 3.509 0 40 CHAB O=C(O)[C@@H](Nc1ccccc1F)c1ccc(Cl)cc1 4253461 SMBRZKRAJHJDHA-ZDUSSCGKSA-N 279.698 3.717 0 40 CHAB Cc1sc2c(c1C)C(=O)N[C@H](c1c[nH]c3ccccc13)N2 4501926 MSOPUCWJXVXMCV-AWEZNQCLSA-N 297.383 3.700 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1nnc(CC(C)C)s1 4553308 BSPACXYMZIUPLI-NSHDSACASA-N 283.441 3.892 0 40 CHAB CC(C)=C1CC[C@]2(C)OC(=O)[C@@H](Cc3ccccn3)[C@@]12C 4574935 LABKVGSCWMJBSU-BPQIPLTHSA-N 285.387 3.692 0 40 CHAB CC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)C1 4591729 VDRVOLXATGBGNF-UHFFFAOYSA-N 295.338 3.768 0 40 CHAB BrC1=NO[C@@H]2c3cccc4cccc(c34)[C@@H]12 5767898 MELXZMFYUDZEJV-VXGBXAGGSA-N 274.117 3.717 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CCCCCCC1 5862293 CMZNNTNXUIHATN-UHFFFAOYSA-N 251.757 3.746 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C 6435799 QEHJUPGOGGULER-MISXGVKJSA-N 265.784 3.895 0 40 CHAB Cc1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 7888943 MXIJDSAWGSEFPU-UHFFFAOYSA-N 251.329 3.736 0 40 CHAB O=c1nc2ccc(Cl)cc2c(-c2cccc(Cl)c2)[nH]1 10152070 OWYDQNIAQDRCAW-UHFFFAOYSA-N 291.137 3.897 0 40 CHAB COc1ccccc1C(=O)NCCC1CCCCCC1 10542462 WHWRGJMUQZQNBG-UHFFFAOYSA-N 275.392 3.786 0 40 CHAB CC(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 11638375 GMXRDYPVJKWVLW-UHFFFAOYSA-N 265.662 3.953 0 40 CHAB CSc1nc(C)cc(Nc2ccc(C)c(C)c2)n1 11907754 CXTDEXYDFUHLQM-UHFFFAOYSA-N 259.378 3.867 0 40 CHAB CN(Cc1nc(CC2CC2)no1)[C@H]1CCCc2ccccc21 15078773 CUHCJKSBUYGAGY-INIZCTEOSA-N 297.402 3.532 0 40 CHAB CCC(C)(C)c1ccc(OC[C@@H]2CCCNC2)cc1 19233128 XPCSGDJILQAJRM-CQSZACIVSA-N 261.409 3.753 0 40 CHAB Cc1c(N)cccc1C(=O)Nc1cccc2ccccc12 19393455 MSABXQNROUELCM-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB CC[C@H](c1ccc(F)cc1)n1cncc1-c1cn(C)nc1C 19719514 KYCZOQFKJUIUGZ-MRXNPFEDSA-N 298.365 3.731 0 40 CHAB Cc1ccc2[nH]c(C)c(CCNCc3ccco3)c2c1 23650144 OGNHJUWOXLUGNP-UHFFFAOYSA-N 268.360 3.710 0 40 CHAB COc1ccc(C)cc1N[C@H](C)c1nc(-c2ccco2)no1 27058876 ULHYVUQEQYFRNQ-LLVKDONJSA-N 299.330 3.820 0 40 CHAB CCCCCCOCCNCCOCCCCCC 30836390 SIVDZOSNINXFCR-UHFFFAOYSA-N 273.461 3.770 0 40 CHAB Cc1ccc([C@H](NC(=O)NCC2CC2)c2ccccc2)cc1 32795376 YWSRMNFLSIKFJP-GOSISDBHSA-N 294.398 3.794 0 40 CHAB CCCCCNC(=O)Nc1ccc(Cl)cc1C 32862268 VKWZQINXTIVTMH-UHFFFAOYSA-N 254.761 3.960 0 40 CHAB NCCCn1c(-c2ccccc2)cc2ccccc21 36722418 GJRLBGNXSJZXMF-UHFFFAOYSA-N 250.345 3.657 0 40 CHAB c1ccc2c(c1)CCCC[C@H]2NCc1nccs1 41011576 UECRVJPVNUDVAN-CQSZACIVSA-N 258.390 3.700 0 40 CHAB Cc1ccc(C(C)C)c(OCC[C@@H]2CCCNC2)c1 42772861 UETPBILWMDKGBS-HNNXBMFYSA-N 261.409 3.887 0 40 CHAB CC1CCN(c2c(N)cc(Cl)cc2Cl)CC1 45958965 JNYNKLSBAAAYDV-UHFFFAOYSA-N 259.180 3.812 0 40 CHAB CCCCCC(=O)NCc1coc(-c2cccs2)n1 48326162 KCJVCWQJBNENSF-UHFFFAOYSA-N 278.377 3.600 0 40 CHAB CCCn1ccnc1SCCO[C@H]1CCCC[C@@H]1C 58171627 JDWPTFCGAXDSOC-KBPBESRZSA-N 282.453 3.981 0 40 CHAB CCC[C@@H]1CCCN(C(=O)c2cccnc2OCC)CC1 60221629 QGMDFWOYHAQJOK-CQSZACIVSA-N 290.407 3.523 0 40 CHAB O=C(O)[C@@H](Cc1ccc(F)cc1)Oc1ccc(Cl)cc1 73311524 SMVSZIQBLBEBJB-CQSZACIVSA-N 294.709 3.554 0 40 CHAB Fc1ccccc1C=C(Br)Br 75421018 RKZSZHAKTJXEQU-UHFFFAOYSA-N 279.934 3.914 0 40 CHAB O=C(Nc1cccnc1)N1CC[C@H]1c1ccc(Cl)cc1 75503848 FMQQTQYAWPCQEK-AWEZNQCLSA-N 287.750 3.714 0 40 CHAB Fc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1 90411491 SIYXRLWNYOOUNO-UHFFFAOYSA-N 257.186 3.786 0 40 CHAB CCCCOc1cc(F)c(F)cc1Br 95915366 BLZBHTHSUWOHIS-UHFFFAOYSA-N 265.097 3.906 0 40 CHAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccsc1 96662854 OBBCJBGVRJHSGB-VZUCSPMQSA-N 261.733 3.894 0 40 CHAB O[C@H]1CCCN(Cc2ccccc2)c2ccccc21 97109125 HTKQDGMCRQIAOD-KRWDZBQOSA-N 253.345 3.520 0 40 CHAB Cn1/c(=N\CCc2ccccc2)oc2ccc(Cl)cc21 104266180 BCHPJEFRKSVJKI-FBMGVBCBSA-N 286.762 3.568 0 40 CHAB CC(C)Oc1ccccc1C(=O)Cc1cccs1 129561958 SARFTXPKUJUZBV-UHFFFAOYSA-N 260.358 3.961 0 40 CHAB Cc1occc1[S@@](=O)Cc1cc(-c2cccs2)on1 189619788 WCTTYQRUIUEXSI-IBGZPJMESA-N 293.369 3.612 0 40 CHAB CCNCc1cc(C)n(Cc2ccccc2Cl)c1C 223663910 BJIOKCSITAZTLK-UHFFFAOYSA-N 276.811 3.916 0 40 CHAB COc1ccc(/C=C(/C(=O)NC(C)C)c2ccccc2)cc1 408907159 LRTPKJVXHHBLEY-QGOAFFKASA-N 295.382 3.760 0 40 CHAB Cc1nc2cc(C(=O)Nc3ccc(F)cc3)ccc2s1 408975678 CABUSGGMNVOXJV-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)s1 1776009154 JADKYUGPXYALFY-KBPBESRZSA-N 288.416 3.617 0 40 CHAB CCC(=O)Nc1ccc2c(c1)ncn2-c1ccc(C)cc1 552223 JYZSSEGKNQNARE-UHFFFAOYSA-N 279.343 3.682 0 40 CHAB Cc1ccc(C)c(OCC(=O)NCCC2=CCCCC2)c1 508867 QMNKYLCEWLDAEM-UHFFFAOYSA-N 287.403 3.689 0 40 CHAB CCOc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 574424 VBCJPDOUTLDAEL-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc1C 103149159 YLMYQOXLBCWUBR-PYJNHQTQSA-N 277.433 3.919 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc(F)c1 33444721 IESXCFDQCPAORT-QPEQYQDCSA-N 273.694 3.972 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1nccc2ccccc12 1337717 KHVJKUCKTUHLLY-UHFFFAOYSA-N 296.757 3.818 0 40 CHAB Cc1nc(CSc2nnc(-c3ccoc3C)o2)cs1 7195020 VTWZOEXOKRQDDY-UHFFFAOYSA-N 293.373 3.695 0 40 CHAB CC[C@@H]1c2ccccc2CCN1C(=O)C1[C@H]2CCC[C@H]12 102340285 SMCRCXGQWPQWFE-HRCADAONSA-N 269.388 3.569 0 40 CHAB COc1ccc2cc(C(=O)NC3CCCCC3)c(C)nc2c1 10402916 AAHLZQQITBCLTC-UHFFFAOYSA-N 298.386 3.614 0 40 CHAB NCC1(c2ccccc2Br)CCCCC1 55336145 AJYAWFOLJUVJEX-UHFFFAOYSA-N 268.198 3.610 0 40 CHAB CC(C)(C)[C@@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72405267 ZBFZSDUWFUZPHC-GFCCVEGCSA-N 273.336 3.646 0 40 CHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CC(F)(F)F 44615154 YPOWDQGMLXPXOT-SECBINFHSA-N 285.265 3.905 0 40 CHAB Cc1cc([C@H](C)NC(=O)c2c(F)cccc2F)c(C)o1 58210208 MVTYMGQOPZWYCC-VIFPVBQESA-N 279.286 3.666 0 40 CHAB Cc1noc(C)c1CSc1nc2ccccc2o1 58333061 PLRDIUJDATWJJW-UHFFFAOYSA-N 260.318 3.725 0 40 CHAB CCC[C@H](NCc1cnc(NCC)nc1)c1ccccc1 62717559 OERWXDBLCLMWAV-INIZCTEOSA-N 284.407 3.539 0 40 CHAB Cc1cc(C)c(-c2c(O)c3ccccc3n(C)c2=O)c(C)c1 100631069 LEIAVWWANCNTJJ-UHFFFAOYSA-N 293.366 3.836 0 40 CHAB O=C(c1cccc(Cl)c1)c1cccc(CN2CCC2)c1 2515117 MXWUAKMNZYLRAH-UHFFFAOYSA-N 285.774 3.777 0 40 CHAB Cc1ccccc1/C=C1\N=C(c2ccc(F)cc2F)OC1=O 12806275 MLKXMHUYJJFRIE-NVNXTCNLSA-N 299.276 3.618 0 40 CHAB CCc1cccc(NC(=O)COc2ccc(C)cc2OC)c1 3510565 DNCMERCEJFFTQA-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB Cc1cc2nc(-c3ccc(CN)cc3)oc2cc1C 8732291 YMPJPHHKQZEVRB-UHFFFAOYSA-N 252.317 3.570 0 40 CHAB C(=C/c1ccccc1)\COc1cccc(-c2nnco2)c1 71186352 WHWWQEFRECYNNI-VMPITWQZSA-N 278.311 3.829 0 40 CHAB C[C@H](NC(=O)Cn1ccc2ccccc21)c1ccccc1 4599579 YHVMQEZOVHBPSC-AWEZNQCLSA-N 278.355 3.519 0 40 CHAB N[C@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 19414864 XDZAZPSMRRQAGP-CYBMUJFWSA-N 253.679 3.666 0 40 CHAB Cn1cc(-c2nc3ccccc3n2C)c(-c2ccccc2)n1 6589185 YSISLADEWSMKEV-UHFFFAOYSA-N 288.354 3.641 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1cc2ccccc2c(=O)o1 6658958 VKIDPTWBNCKNGX-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB CCCCn1c(=S)[nH]c2sc(C)c(C)c2c1=O 4864849 RXPJIWZKRVZASH-UHFFFAOYSA-N 268.407 3.538 0 40 CHAB O=C(c1ccc2ccccc2n1)N1CCCc2ccccc21 16023040 BEYQSNPXWPEIOH-UHFFFAOYSA-N 288.350 3.828 0 40 CHAB COc1ccc(O[C@H](C)c2nc3ccc(F)cc3[nH]2)cc1 76555420 GQWQNQOFLGJZEL-SNVBAGLBSA-N 286.306 3.851 0 40 CHAB C[C@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)CC(C)(C)C 60659059 VNGXQQOHDYABJW-LBPRGKRZSA-N 295.398 3.924 0 40 CHAB CCC(C)(CC)NC(=O)c1ccc2nc(C)c(C)nc2c1 84721158 TYINUTOHYJGTNK-UHFFFAOYSA-N 285.391 3.555 0 40 CHAB COc1cc(CN(C)Cc2ccc(Cl)cc2)ccc1O 72272583 IOWQGQUMEKCZMM-UHFFFAOYSA-N 291.778 3.686 0 40 CHAB COc1ccc(OC)c([C@H](C)NCc2ccccc2C)c1 35012323 QYVLNGUSAXIKKK-AWEZNQCLSA-N 285.387 3.863 0 40 CHAB Sc1nnc(C[C@H](Cc2ccccc2)c2ccco2)o1 524734430 DRKYHPUEROSQJR-LBPRGKRZSA-N 286.356 3.520 0 40 CHAB Clc1cccc(Nc2ncnc3c2ncn3C2CC2)c1 431015718 QKAMFJRRIXSBHJ-UHFFFAOYSA-N 285.738 3.558 0 40 CHAB COc1ccc([C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 38566429 OIHWQVZFNXAMJZ-MRXNPFEDSA-N 287.403 3.591 0 40 CHAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2N)cc1 70462843 OIVXLFPIPZSDJN-UHFFFAOYSA-N 284.359 3.537 0 40 CHAB CCc1ccc([C@H](C)NC(=O)c2cccc(F)c2)cc1 36623424 FHIDFDVQAYMROT-LBPRGKRZSA-N 271.335 3.879 0 40 CHAB Clc1ccc(-c2nnc(Br)s2)cc1 71051196 BCYOCBCOIDTQRC-UHFFFAOYSA-N 275.558 3.621 0 40 CHAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(C)cc1 45888436 GNMVPLYVXUXYGF-UHFFFAOYSA-N 268.360 3.700 0 40 CHAB COc1ccc(C(=O)NCc2cccc(C)c2)cc1Cl 225848834 HVGLWDGWTOLMPN-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB Cc1sc(Nc2ccccc2Cl)nc1C(=O)O 137200499 VNIPEGAOWHQLNZ-UHFFFAOYSA-N 268.725 3.547 0 40 CHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225603491 JLODWJJIVGNPHS-MRXNPFEDSA-N 279.380 3.536 0 40 CHAB COc1ccc(Cl)cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 40096183 JWCZPXWBRKOBNO-PHIMTYICSA-N 296.798 3.858 0 40 CHAB CCOC(C)(C)C(=O)Nc1ccc(OC)c2ccccc12 225815829 LFCOZZABCAFDMQ-UHFFFAOYSA-N 287.359 3.602 0 40 CHAB O=C(O)c1ccc(/C=C/c2cccc(Br)c2)o1 85390194 CMCOFLXSVIIMSU-SNAWJCMRSA-N 293.116 3.911 0 40 CHAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCCC1 84632974 MDDPIWOXIUAHNL-UHFFFAOYSA-N 298.390 3.759 0 40 CHAB Clc1cccc(CN2CCN(C3CCCCC3)CC2)c1 19788649 DAYPHYDOPIRMCD-UHFFFAOYSA-N 292.854 3.790 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1C 240622 IZQIQRCBLPNYEN-AWEZNQCLSA-N 253.345 3.794 0 40 CHAB NC(=O)c1ccccc1OCc1ccc(Cl)c(Cl)c1 5189919 GDEQEFDXVZWCMU-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB O=c1oc2ccccc2cc1C1=NO[C@@H](c2cccs2)C1 5604923 JKTNEUAWSVXTRI-CQSZACIVSA-N 297.335 3.720 0 40 CHAB CCc1ccc(OCc2nc3ccccc3[nH]2)cc1 12627835 PLYCVBWGNLHEAQ-UHFFFAOYSA-N 252.317 3.704 0 40 CHAB O=C(Nc1ccccn1)c1ncc(-c2ccc(Cl)cc2)o1 8737067 OHAMWCMBWAIZEQ-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CCOC(=O)c1ccc(C(=O)CCc2ccccc2)s1 575361765 KPTLCDZJVRDRER-UHFFFAOYSA-N 288.368 3.740 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)NCc1ccc(F)cc1 30982663 YUEKPQHCSCDKLS-ZDUSSCGKSA-N 286.350 3.695 0 40 CHAB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccccc1Cl 100449336 HCWQYJDKWBKTPF-XYPYZODXSA-N 280.751 3.804 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)NCCc2ccccc2)C1(C)C 356662 FHSCASJCQIFIIY-JKSUJKDBSA-N 271.404 3.584 0 40 CHAB Cc1ccc2cc(C)c(SCC(=O)OC(C)C)nc2c1 421031 HJAKTJRPQXTQCX-UHFFFAOYSA-N 289.400 3.895 0 40 CHAB CCn1c(SC/C=C(/C)Cl)nc2ccccc2c1=O 547964 SRDXTJKLSZRMAX-NTMALXAHSA-N 294.807 3.651 0 40 CHAB COc1cccc(NC(=O)c2ccc3nc(C)sc3c2)c1 803404 FGILUNMBZSQQAN-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB FC(F)(F)c1cccc(-c2nc(-c3ccncc3)no2)c1 1400948 OVIYXNBACPKJJV-UHFFFAOYSA-N 291.232 3.817 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1cc(OC)ccc1OC 2064677 ULPVFOQMVCWXQJ-GFCCVEGCSA-N 279.380 3.859 0 40 CHAB COC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1 2578439 YYIMLLCQNPKOAG-UHFFFAOYSA-N 282.339 3.541 0 40 CHAB CN(Cc1cccs1)C(=O)CCc1c[nH]c2ccccc12 3438691 AHZALSDIOUTRLH-UHFFFAOYSA-N 298.411 3.821 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)CCCC(C)C)cc1 4704380 KLSLIIHPIHEMFX-OAHLLOKOSA-N 261.409 3.869 0 40 CHAB COc1ccn(-c2cccc(Cl)c2)c1SC 5393984 BEGZZRVVDWXABG-UHFFFAOYSA-N 253.754 3.861 0 40 CHAB CCCn1cc(C=O)c2cc(Br)ccc21 5946920 OGNSXOUTJKJCJP-UHFFFAOYSA-N 266.138 3.626 0 40 CHAB Cc1ccc(-c2cc[n+]3cc(Cl)ccc3n2)c(C)c1 6426234 UENDCYPLWVXOLC-UHFFFAOYSA-N 269.755 3.758 0 40 CHAB Cc1ccc(NC(=S)NCC(C)C)cc1Cl 7571543 XBNJEBSCRXAEKX-UHFFFAOYSA-N 256.802 3.591 0 40 CHAB Oc1ccc(F)cc1-c1cc(-c2ccccc2F)[nH]n1 9088688 LGKKOBPNLMCSTE-UHFFFAOYSA-N 272.254 3.728 0 40 CHAB Cc1cnc(NC(=O)CCc2ccccc2Cl)s1 9154088 KBDHUAGCDQNXNB-UHFFFAOYSA-N 280.780 3.676 0 40 CHAB Oc1ccc(-c2csc(Cc3ccccc3)n2)c(O)c1 12567954 NQBQQKACFFEQPL-UHFFFAOYSA-N 283.352 3.812 0 40 CHAB C[C@@H](CNC(=O)c1cc2ccsc2[nH]1)c1ccccc1 12762656 WMYAWHJPCAUVBQ-NSHDSACASA-N 284.384 3.763 0 40 CHAB Cc1ccc(CS[C@H](C)C(=O)Nc2cc(C)on2)cc1 14161973 ZGZZUWPQWVYVFG-GFCCVEGCSA-N 290.388 3.552 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@@]12C[C@H]2c1ccccc1 16607559 ABGBAHFQEQUBSI-WMZOPIPTSA-N 276.339 3.583 0 40 CHAB CCOc1ccc(/N=c2\ccn3ccccc3c2)cc1 17121700 OPFQXKLFMQIVPQ-OBGWFSINSA-N 264.328 3.570 0 40 CHAB CCCCN1CCN(CCCC)[C@H]2CCCC[C@@H]21 19365564 UYPHWUXYKSXDIF-HOTGVXAUSA-N 252.446 3.515 0 40 CHAB COc1cc(CNc2cccc(Cl)c2C)ccc1O 19905455 YXRNUMRSIAJGMI-UHFFFAOYSA-N 277.751 3.975 0 40 CHAB COc1cccc(CNc2ccc(F)c(F)c2F)c1 19907517 JPORJRUGPWQTLO-UHFFFAOYSA-N 267.250 3.725 0 40 CHAB Brc1cccc(CNCCc2ccccc2)c1 19919719 KVEARNUHJLTCKJ-UHFFFAOYSA-N 290.204 3.781 0 40 CHAB FC(F)(F)c1cc(Cl)nc(N2CCCCC2)c1 20358043 GWAJQXVPOBPEGC-UHFFFAOYSA-N 264.678 3.744 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C(C)C 20493112 FIYDSMXTKLVZQX-KBPBESRZSA-N 277.408 3.882 0 40 CHAB COc1cccc(-c2nc(Cl)n(-c3ccc(C)cc3)n2)c1 22125271 NVHITRJEKCVRQX-UHFFFAOYSA-N 299.761 3.905 0 40 CHAB CC(C)CC(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28221179 IBABJXWWXCAETR-AWEZNQCLSA-N 270.376 3.701 0 40 CHAB O=C(c1ccccc1)N(Cc1cccc2[nH]ccc12)C1CC1 32100178 PJUCHEQAPNRZPQ-UHFFFAOYSA-N 290.366 3.973 0 40 CHAB Cc1ccc(SCc2cc(=O)n3cccc(C)c3n2)cc1 32852832 PTQCPXJKEXACFI-UHFFFAOYSA-N 296.395 3.604 0 40 CHAB CCC(CC)NC(=O)N(C)Cc1nc2ccccc2s1 32909429 XQFWSJZIPSUIQV-UHFFFAOYSA-N 291.420 3.626 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(Cl)c1N1CCCC1 33779011 XEFFJSCYZMISOK-UHFFFAOYSA-N 280.799 3.925 0 40 CHAB CCOc1ccc([C@@H](C)NCc2ccc(C)o2)cc1 35052910 UTOLLFYAGIDFES-CYBMUJFWSA-N 259.349 3.838 0 40 CHAB Cc1n[nH]cc1CN[C@@H](c1ccc(Cl)cc1)C(C)C 36975525 SGDPLKHNXMFUKV-OAHLLOKOSA-N 277.799 3.858 0 40 CHAB CC(C)CNC(C)(C)c1ccc(Br)cc1 37129008 OXECLDGMDZCMTQ-UHFFFAOYSA-N 270.214 3.930 0 40 CHAB O=C(O)c1cc(-c2ccccc2)c2ccccc2c1O 38337775 OUJLIZHYJOKRCC-UHFFFAOYSA-N 264.280 3.911 0 40 CHAB COc1ccc2sc(-c3ccc(N)cc3)nc2c1 39079802 URSIJLFKUGUAGH-UHFFFAOYSA-N 256.330 3.554 0 40 CHAB CC(C)c1noc([C@@H](C)Sc2nccn2C2CC2)n1 40059773 ZTZPFZRIUZAWBH-SECBINFHSA-N 278.381 3.578 0 40 CHAB C[C@@H]1CCCCN1C(=O)Nc1cccc(Br)c1 40095229 OXXOPGVZPWAZRE-SNVBAGLBSA-N 297.196 3.855 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1C 44901150 DMDNPZQDJFBOPI-HNNXBMFYSA-N 297.398 3.641 0 40 CHAB Cc1c(N)cc(-c2nc3ccc(F)cc3s2)cc1N 45920032 ODDRSOMAEDGZEL-UHFFFAOYSA-N 273.336 3.575 0 40 CHAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(C(F)(F)F)cc1 49549035 SHIPTBJYURDCPU-SNVBAGLBSA-N 295.264 3.563 0 40 CHAB O=C1OCCN1c1cccc(Nc2nc3ccccc3o2)c1 51882070 SXCOTJVXTTUWJY-UHFFFAOYSA-N 295.298 3.528 0 40 CHAB CC(C)Oc1ccc(NC(=O)Cc2ccsc2)c(F)c1 52021317 MIKCZJVZNCSOLG-UHFFFAOYSA-N 293.363 3.856 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC(=O)C2 58200757 VUQQUDLAAJRNMK-VSZNYVQBSA-N 270.372 3.817 0 40 CHAB Cc1nc(NC(=O)c2cc(C)n(C3CC3)c2C)sc1C 60925179 YGRCVTBWUCUBEV-UHFFFAOYSA-N 289.404 3.765 0 40 CHAB CCOc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1C 71899342 FWMAMRILQJMPRX-CYBMUJFWSA-N 287.359 3.820 0 40 CHAB CC(C)(C)CNC(=O)C(c1ccccc1)c1ccccc1 72022007 NYKNBQSULYWYGC-UHFFFAOYSA-N 281.399 3.981 0 40 CHAB O=C(O)c1cc(Br)ccc1COC1CCCC1 72209151 IEAXFAVJUORXTN-UHFFFAOYSA-N 299.164 3.607 0 40 CHAB Cc1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C 74978200 FBMIFACPPKBWSA-UHFFFAOYSA-N 280.331 3.526 0 40 CHAB CC(C)(C)c1cc2ccccc2c2nc(C=O)cn12 78404189 LFDJBOZKPYLJBT-UHFFFAOYSA-N 252.317 3.598 0 40 CHAB CCC[C@H]1[C@H](C)CCCN1c1nccc(C(F)(F)F)n1 79017591 RPOAMHDOVJOVHP-MNOVXSKESA-N 287.329 3.900 0 40 CHAB COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCCCCCC1 89473558 NXVTVCNJNZLOSF-CVEARBPZSA-N 287.403 3.591 0 40 CHAB C[C@@H](C1CC1)n1nccc1NCc1ccc(F)cc1 89894214 UQKPZXUNCYQNDF-NSHDSACASA-N 259.328 3.605 0 40 CHAB Cc1cc(C(=O)CC(C)(C)CC(=O)O)ccc1Cl 95634128 CPSIWCODAPYBFY-UHFFFAOYSA-N 268.740 3.722 0 40 CHAB COc1cc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)ccc1O 100314212 SOHWVJPJRLXISV-CEMKMUMLSA-N 288.387 3.937 0 40 CHAB C[C@H]1CCCN([C@H](CN)c2ccc(Cl)cc2Cl)C1 108349959 UJGDOGDFIJTPLX-IINYFYTJSA-N 287.234 3.725 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@]45C[C@H]4CC[C@]35C)[C@@H]1CCC2=O 118936213 ABXKYAJHLPGJLD-JDIMODRQSA-N 286.415 3.777 0 40 CHAB Cc1ccc([C@H](C)N(C)Cc2ccccc2)cc1N 218282713 SAWXNWQDVIAHPH-AWEZNQCLSA-N 254.377 3.770 0 40 CHAB CCCNCc1cccn1-c1cccc(C(F)(F)F)c1 223688876 REMCRXKMDUCVLY-UHFFFAOYSA-N 282.309 3.996 0 40 CHAB Fc1ccc(NC(=S)Nc2c(F)cccc2F)cc1 225458481 NJGFVGBJPBBZQL-UHFFFAOYSA-N 282.290 3.913 0 40 CHAB COc1ccc2cc(C(=O)CCSC)ccc2c1 259144905 MOUYVXBSLZPCBP-UHFFFAOYSA-N 260.358 3.784 0 40 CHAB Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(Cl)cn1 390835818 YZKRBMZFNXSVLG-UHFFFAOYSA-N 285.734 3.777 0 40 CHAB CC[C@H](C)OCc1c(Br)cnn1CC(C)C 408715540 BMZFVNRGUJINRW-JTQLQIEISA-N 289.217 3.617 0 40 CHAB CCC[C@H](C(=O)c1ccc(C)c(C)c1)N1CCCC1 575598507 IKKXRCRMSQZNLG-MRXNPFEDSA-N 259.393 3.751 0 40 CHAB in-vitro Cc1csc([C@H]2CCCN2Cc2ccc3c[nH]nc3c2)n1 584908328 XCCIGYHJEWVZQY-OAHLLOKOSA-N 298.415 3.665 0 40 CHAB Clc1cnccc1OCC1CCN(CC2CCC2)CC1 1889090379 XOQQAQIGMVQMFG-UHFFFAOYSA-N 294.826 3.626 0 40 CHAB CC[C@H](C)NC(=O)C1c2ccccc2Oc2ccccc21 30235 YGDBKTGSMJVKKZ-LBPRGKRZSA-N 281.355 3.839 0 40 CHAB Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Cl 60772 GRRAKROCURHRIV-UHFFFAOYSA-N 288.778 3.967 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCCC[C@@H]1C 507898 VMIOFZFIOOEUFH-LBPRGKRZSA-N 270.376 3.533 0 40 CHAB CCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2C)cc1 557958 MGZJORZZOQQFBV-UHFFFAOYSA-N 296.370 3.904 0 40 CHAB CCCNc1nc(C)nc2[nH]c(Cc3ccccc3)c(C)c12 1584924 AJGDFYDFBKRGGG-UHFFFAOYSA-N 294.402 3.987 0 40 CHAB CC(=O)Nc1ccc2c(c1)C(=O)c1cc(Cl)ccc1-2 1694583 BUGAMHNJLSWZID-UHFFFAOYSA-N 271.703 3.510 0 40 CHAB CCCCCc1nc2sc3c(c2c(=O)[nH]1)C[C@H](C)CC3 2344371 SHUJIRCATPVWAA-SNVBAGLBSA-N 290.432 3.842 0 40 CHAB C[P@](=O)(NC(=O)Nc1ccccc1)Oc1ccccc1 3219169 LGQPPEWZJQBPIH-HXUWFJFHSA-N 290.259 3.710 0 40 CHAB S=C(NCc1ccccc1)N[C@H]1CCCc2ccccc21 5127413 QMPKYZMMCRCHNT-KRWDZBQOSA-N 296.439 3.728 0 40 CHAB CCCCCNC(=O)c1ccccc1SCC 6397261 UZPSAYWKCMIBNC-UHFFFAOYSA-N 251.395 3.719 0 40 CHAB COc1ccc(Sc2ccccc2CN(C)C)cc1 6637833 QPEXKHAYIOIQOH-UHFFFAOYSA-N 273.401 3.908 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCC2 6785188 DRHAPSOQNHCHLZ-UHFFFAOYSA-N 285.368 3.692 0 40 CHAB O=C(Nc1nc2ccc(F)cc2s1)C1CCCCC1 7643708 GQUKFNYHBXQHTD-UHFFFAOYSA-N 278.352 3.954 0 40 CHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(C)c1 8049087 QDICFKCOUDIAGG-OAHLLOKOSA-N 287.334 3.930 0 40 CHAB CCc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 8106428 LTELVHPUDLFTBG-UHFFFAOYSA-N 289.400 3.667 0 40 CHAB COc1c(C)cccc1C(=O)Nc1c(C)cccc1C 9141477 JTWYCFLDAZBFTK-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB Oc1ccc(-c2csc(-c3ccsc3)n2)c(O)c1 9513557 ONOFUYZTDRABPB-UHFFFAOYSA-N 275.354 3.950 0 40 CHAB CCCCN[C@@H]1c2ccccc2C(=O)N1CCC(C)C 9730667 HUCLMIYAMYOHCF-INIZCTEOSA-N 274.408 3.577 0 40 CHAB C/C(=C\c1ccccc1)S(=O)(=O)c1ccccc1 16954627 YMTZAJXCKSXNEN-OUKQBFOZSA-N 258.342 3.521 0 40 CHAB NC(=S)N1N=C2CCCCCC[C@@H]2[C@@H]1c1ccccc1 16957945 LZUFXUCJBCSOMY-ZFWWWQNUSA-N 287.432 3.613 0 40 CHAB CCCCCc1c(C)nc(N2CCc3ccccc32)[nH]c1=O 18266678 JCRRRLPOWKNTDW-UHFFFAOYSA-N 297.402 3.505 0 40 CHAB CCOc1cc(CNc2ccc(C)cc2)ccc1O 19964373 KHQJSYQLZGXKHG-UHFFFAOYSA-N 257.333 3.711 0 40 CHAB CCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1C 20136582 LPFRCKVVVYRYEP-UHFFFAOYSA-N 287.359 3.876 0 40 CHAB CN(Cc1ccc2ccccc2c1)C(=O)c1ccccn1 23644146 DXOMKPGYCFGBMN-UHFFFAOYSA-N 276.339 3.507 0 40 CHAB O=C(Nc1cccc(-c2nnco2)c1)c1cccc(Cl)c1 27112124 GNCKNNARKRDPFE-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CC(C)c1ccccc1NC(=O)/C=C/c1ccncc1 32335818 UOHYTXKOMAAUET-BQYQJAHWSA-N 266.344 3.857 0 40 CHAB COc1cccc([C@@H]2CCCN2C(=O)C2CCCCC2)c1 32889851 PKODPDMTEFRGMF-KRWDZBQOSA-N 287.403 3.939 0 40 CHAB Cc1ccc(NC(=O)N(C)Cc2ccncc2)cc1Cl 32907359 DALLIWRYJQOUKS-UHFFFAOYSA-N 289.766 3.707 0 40 CHAB Cc1cccc(CNCCCc2nc3ccccc3[nH]2)c1 35287273 UYOBRGNFTJRLDZ-UHFFFAOYSA-N 279.387 3.594 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 36622212 CQKNLCRBHNMRQL-CVEARBPZSA-N 297.398 3.682 0 40 CHAB CC(C)c1ccc(Nc2ccc(N)cc2C(=O)O)cc1 37930386 KYBYXBGRGVCVHN-UHFFFAOYSA-N 270.332 3.834 0 40 CHAB CC(C)n1cnnc1SCCCc1ccccc1 40161891 ZLINAUUDBYJCRL-UHFFFAOYSA-N 261.394 3.584 0 40 CHAB Fc1ccc(NCc2nc(-c3ccsc3)no2)cc1 40473147 DTLJGCDAQUIPJW-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB O=C(c1ccsc1)c1ccccc1C(F)(F)F 43210305 QFUBEOXTTUOKAN-UHFFFAOYSA-N 256.248 3.998 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 44847883 SLUUZVZJUXVVRO-CXAGYDPISA-N 285.387 3.912 0 40 CHAB Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2)s1 48353531 YAOVWCYQSZMNDW-UHFFFAOYSA-N 279.792 3.569 0 40 CHAB Cc1ccc(CN(C(=O)C2CCC2)C(C)C)s1 57400249 GQRFLBUFIFQWNQ-UHFFFAOYSA-N 251.395 3.594 0 40 CHAB CC(C)c1cc(NC(=O)c2ccc(F)cc2Cl)[nH]n1 58392345 AETSXZSCNTXIOA-UHFFFAOYSA-N 281.718 3.578 0 40 CHAB O=C(O)c1noc(-c2ccccc2)c1Cc1ccccc1 72220495 ARQXJFHPEASGSA-UHFFFAOYSA-N 279.295 3.631 0 40 CHAB Cc1nc(C)c(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)o1 74081678 VGSCKXDGSMQGIW-ZDUSSCGKSA-N 290.750 3.532 0 40 CHAB CC(C)N(C(=O)c1cnc(-c2ccco2)s1)C(C)C 78612320 OKIJXZFJYWPANN-UHFFFAOYSA-N 278.377 3.662 0 40 CHAB CC(C)COc1ccc(CC(=O)Nc2ccccc2O)cc1 84544454 DAHZRTWBRAWPRB-UHFFFAOYSA-N 299.370 3.608 0 40 CHAB Cc1cc(CNC(C)(C)C)ccc1Br 85706588 CKQUWEQHRLRMJY-UHFFFAOYSA-N 256.187 3.646 0 40 CHAB CCOCCC1(C(=O)Nc2ccc(CC)cc2)CCC1 89284934 QDENPYKAKHLHJY-UHFFFAOYSA-N 275.392 3.784 0 40 CHAB Nc1nc(Cl)cc(Nc2ccc(Cl)cc2Cl)n1 91302227 RQPMATPNGLUKRY-UHFFFAOYSA-N 289.553 3.763 0 40 CHAB Cc1cc(F)ccc1C(=O)c1cc(F)c(F)cc1F 95917006 HYKZKHAUTPIKIG-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB CSc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1 97211702 CBXBDGGDXMUWFO-UHFFFAOYSA-N 298.411 3.608 0 40 CHAB CCOC(=O)c1nc(CSc2ccoc2C)cs1 131557124 XAOTYRHLAKGBBK-UHFFFAOYSA-N 283.374 3.514 0 40 CHAB CCNC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 205331938 SURHZKOLJXLQAU-UHFFFAOYSA-N 289.423 3.543 0 40 CHAB CCCCc1ccc(C(=O)O)n1Cc1ccc(F)cc1 226027064 BOSSNDHXZXQIQY-UHFFFAOYSA-N 275.323 3.716 0 40 CHAB CCCC[C@H](C)C(=O)NC1CCC(OC(C)C)CC1 252509311 YKVLUMXEYYUUFG-NFOMZHRRSA-N 269.429 3.665 0 40 CHAB CC[C@@H](C(=O)c1ccc2c(c1)CCCC2)N1CCCC1 299817117 DNKYSKGKPOHTKY-KRWDZBQOSA-N 271.404 3.623 0 40 CHAB in-vitro CC(C)n1cc(Cl)c(COCCC(F)(F)F)n1 408717173 WNQBFNPMTRHKKE-UHFFFAOYSA-N 270.682 3.586 0 40 CHAB Fc1ccc2nccc(C3=CCC4(CC3)OCCO4)c2c1 1240706573 ZOYNBPXYTUWXRS-UHFFFAOYSA-N 285.318 3.684 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)Oc1ccccc1 140771 BMLTWXNHYACLOI-UHFFFAOYSA-N 279.295 3.869 0 40 CHAB CC(C)(C)N1C(=O)C(Cl)(Cl)[C@@H]1c1ccccc1 302680 YKHNVNMBJJTXEZ-JTQLQIEISA-N 272.175 3.542 0 40 CHAB CCOc1ccc(CN[C@@H](C)c2ccccc2)cc1 517046 JNVVIQPMHUDYTJ-AWEZNQCLSA-N 255.361 3.936 0 40 CHAB CSc1nc(C)c(CC(=O)NC2CCCCCC2)s1 22884504 MHPRFIHYIYMGAP-UHFFFAOYSA-N 298.477 3.555 0 40 CHAB C[C@@H]1CCC[C@H](NC(=S)Nc2ccccc2)[C@@H]1C 4622232 POCWVXYCWXWCGM-BZPMIXESSA-N 262.422 3.798 0 40 CHAB CCSc1ccccc1C(=O)Nc1nccs1 4696329 HPYXJOJECXSFBE-UHFFFAOYSA-N 264.375 3.507 0 40 CHAB Cc1ccc(-n2nc(S)sc2=S)cc1Cl 12504652 GKNWBMFWVYDEFB-UHFFFAOYSA-N 274.823 3.914 0 40 CHAB Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)nc1 12523565 VJASULZVEWBJOB-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1cc(Cl)cc2sc(NC[C@H]3CCCO3)nc12 26423943 PTUAVKAEKINLCT-SNVBAGLBSA-N 282.796 3.849 0 40 CHAB CCCc1cc(C(=O)Nc2ncccc2C)sc1C 27650385 SFIKEXVEKORIAF-UHFFFAOYSA-N 274.389 3.965 0 40 CHAB Cc1ccc(CCC(=O)Nc2cccc(F)c2)cc1 10337610 NCHSYPHXENFCTL-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB O=C(NC1CCCCCC1)c1ccc2ncsc2c1 2629825 FGSKKZNDRYWWHM-UHFFFAOYSA-N 274.389 3.749 0 40 CHAB C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 2660687 AXVWPVJKFLHNTA-ZDUSSCGKSA-N 271.335 3.636 0 40 CHAB CC(=O)c1ccc(Oc2ncnc3ccccc23)cc1 12896795 ZCPRLRYHFXXRBK-UHFFFAOYSA-N 264.284 3.625 0 40 CHAB C[C@H](NCc1cccnc1)C12CC3CC(CC(C3)C1)C2 4168182 KJVLVVDSJRPNIS-FCCIYARUSA-N 270.420 3.776 0 40 CHAB Cc1cccc(COc2ccc(/C=C/C(=O)O)cc2)c1 6450627 DJDVQZCOIJLICF-JXMROGBWSA-N 268.312 3.672 0 40 CHAB Cc1ccc(CS[C@@H](C)C(=O)Nc2cc(C)on2)cc1 14161976 ZGZZUWPQWVYVFG-LBPRGKRZSA-N 290.388 3.552 0 40 CHAB c1ccc2c(OCCC3CCNCC3)cccc2c1 14632397 PXZZNGJRQLANKS-UHFFFAOYSA-N 255.361 3.608 0 40 CHAB in-vitro CCCCc1ccc(NC(=O)Nc2cnsn2)cc1 9426092 ISGLBMRVMRZLJP-UHFFFAOYSA-N 276.365 3.525 0 40 CHAB Cc1[nH]c2ccc(C(=O)NCCc3ccccc3)cc2c1C 6756620 ISJVYCKBPRQDPM-UHFFFAOYSA-N 292.382 3.757 0 40 CHAB Cc1ccc2c(C(=O)CN3CCC[C@@H](C)C3)c(C)[nH]c2c1 4871835 BPKDNISJDFGUFK-CYBMUJFWSA-N 284.403 3.699 0 40 CHAB CCCCNCc1cccn1Cc1cccc(C)c1 35293108 AMFMASDRDOQDNZ-UHFFFAOYSA-N 256.393 3.735 0 40 CHAB C[C@@H]1c2ccsc2CCN1c1ncnc2sccc12 9549809 KBQLBWYWEIQJQQ-SECBINFHSA-N 287.413 3.877 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)o1 8111465 UIBFGRPQGHPBHC-BNBULKTBSA-N 293.322 3.748 0 40 CHAB CC(=O)Nc1ccc(SCC[C@H]2CCCCN2C)cc1 8185622 DKQBKQBHSTYJTP-OAHLLOKOSA-N 292.448 3.612 0 40 CHAB CCCNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 8208942 SABRQKCAZIEQCZ-UHFFFAOYSA-N 287.388 3.517 0 40 CHAB CC(C)c1nc(CCNC(=O)CC2CCCC2)cs1 69514170 UUZIRQSGEULCKX-UHFFFAOYSA-N 280.437 3.506 0 40 CHAB C[C@@]1(NC(=O)Cc2cccc(F)c2)CCCc2ccccc21 95958477 KRYOAVYIUROTMU-LJQANCHMSA-N 297.373 3.736 0 40 CHAB CCOc1cc(C(=O)NC2CCCC2)cc2occc12 72240126 WTXICHAEZOXRLC-UHFFFAOYSA-N 273.332 3.504 0 40 CHAB Cc1ccc(N2CCC(N[C@H](C)c3ccc(C)o3)CC2)nc1 95968424 XOZDYDXWMSJQLP-OAHLLOKOSA-N 299.418 3.611 0 40 CHAB Cc1cc(C)nc(NCc2ccccc2CN(C)C(C)C)n1 89599448 XLPRHOYGIUFQJW-UHFFFAOYSA-N 298.434 3.546 0 40 CHAB CCC(=O)c1ccc(OCc2ccccc2)cc1O 3128868 KYOWJYOUOIVFFM-UHFFFAOYSA-N 256.301 3.564 0 40 CHAB biogenic CC(C)[C@H]1CCCN1C(=O)c1ncoc1-c1cccs1 78661683 DNEUACWAAZDLLX-LLVKDONJSA-N 290.388 3.664 0 40 CHAB CC(C)(C)Sc1ncccc1[C@H]1CCCCN1 72217434 OGWDRJSSQBNCOJ-GFCCVEGCSA-N 250.411 3.787 0 40 CHAB O=C(c1ccc(F)cc1)c1cc(Cl)ccc1F 36940521 DJUVORVUAJOGEP-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CC1CCN([C@H](CN)c2ccc(Cl)c(Cl)c2)CC1 39142597 GLMIRNAVPZGQJZ-CQSZACIVSA-N 287.234 3.725 0 40 CHAB CN(C)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 71502717 RWMWSVKTYQOINJ-UHFFFAOYSA-N 299.805 3.800 0 40 CHAB CC(C)c1cc(Br)ccc1O[C@H]1CCCNC1 42774624 VPJVHCDVELAAPN-LBPRGKRZSA-N 298.224 3.703 0 40 CHAB Clc1cc(-n2cnnc2)ccc1-c1nc2ccccc2o1 45920489 ARGPQOWCESUMQA-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB CCCCc1ccc(C(=O)c2cnccc2C)cc1 45029016 JQKARZNZXWNOHW-UHFFFAOYSA-N 253.345 3.964 0 40 CHAB CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12 44200315 LEUWMYSQIIIWDT-UHFFFAOYSA-N 279.339 3.866 0 40 CHAB O=C(c1ccc(Oc2nccs2)cc1)N1CCCCC1 238953842 XMVQICACSLQSOF-UHFFFAOYSA-N 288.372 3.562 0 40 CHAB CCC(CC)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224118648 DPUVANAGZYTHCI-CYBMUJFWSA-N 289.419 3.638 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)N1CCc2ccccc21 40092919 LUQLHGLZKGZKDW-UHFFFAOYSA-N 286.400 3.778 0 40 CHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(F)s1 225387744 IPACCQGOHGNUSC-UHFFFAOYSA-N 299.392 3.559 0 40 CHAB CC[C@@H](C)CCOC(=O)c1snnc1-c1ccccc1 223832828 AKLIWINQGCXJJQ-LLVKDONJSA-N 290.388 3.798 0 40 CHAB COC(=O)c1ccc(CCc2ccccc2)n1C(C)C 226028718 KBAJIOHIAZGXAV-UHFFFAOYSA-N 271.360 3.641 0 40 CHAB CCOCCN[C@@H](c1ccccc1)c1ccc(C)cc1 96979502 OAAONTXSSSHNPW-SFHVURJKSA-N 269.388 3.711 0 40 CHAB COc1cc(CO)c(Cl)cc1OCc1ccc(F)cc1 95095038 IAWKVRSDPZRVRX-UHFFFAOYSA-N 296.725 3.559 0 40 CHAB Cc1c(Cl)cccc1C(=O)[C@@H]1CCCC[C@@H]1C(=O)O 95634074 OVXRXWANKGKKSJ-NEPJUHHUSA-N 280.751 3.722 0 40 CHAB O=C(NC1CCCC1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001623 CJHFRQKZDPGCJU-HOTGVXAUSA-N 274.408 3.746 0 40 CHAB COc1cccc([C@@H]2SCC(=O)N2C2CCCCC2)c1 19927445 UXGNDEIWHDCSIE-INIZCTEOSA-N 291.416 3.602 0 40 CHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)s1 6909505 XYLJWNKHNJOYHW-UHFFFAOYSA-N 277.736 3.530 0 40 CHAB S=C(Nc1ccccc1)N(Cc1ccco1)C1CC1 8993114 CVZTUTXARJJMAE-UHFFFAOYSA-N 272.373 3.641 0 40 CHAB c1ccc2c(c1)CCN(Cc1nc3ccccc3s1)C2 32668103 DLUUYFQKWKJBBG-UHFFFAOYSA-N 280.396 3.855 0 40 CHAB COc1ccc(C)cc1N[C@H](C)c1nc(C(C)(C)C)no1 40494019 DLKJNNJZJJUJJJ-LLVKDONJSA-N 289.379 3.857 0 40 CHAB Cc1ccccc1C(=O)CC(=O)c1ccccc1C 100780514 ATKAXTJKEOYCOI-UHFFFAOYSA-N 252.313 3.759 0 40 CHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)C2CC2)[C@H]3CCC1 105638 VUFZGYDWSOSQLG-KRWDZBQOSA-N 294.398 3.579 0 40 CHAB O=C(Cc1ccc(Cl)cc1)Nc1cccnc1Cl 550976 GYMSPHHAZLASMO-UHFFFAOYSA-N 281.142 3.570 0 40 CHAB CCCOC(=O)Nc1ccc(C(=O)OCCC(C)C)cc1 1800718 LZRCXDHLBLGDFN-UHFFFAOYSA-N 293.363 3.848 0 40 CHAB CCOC(=O)N(c1ccccc1)c1ccccc1N 2525512 VQDKFHKDYVWQCC-UHFFFAOYSA-N 256.305 3.563 0 40 CHAB CC(C)(C)c1cc(N)n(-c2ccccc2Br)n1 2527265 KKHQLXCYXNWGAP-UHFFFAOYSA-N 294.196 3.515 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN1C[C@H]2CCCC[C@@H]2[C@H]31 4026531 HKCFIODYAGNXJQ-SPKLELGKSA-N 296.414 3.896 0 40 CHAB CC[C@H](C(=O)Nc1ccccc1F)c1ccccc1 4666147 FJWQHGODSDPQQT-ZDUSSCGKSA-N 257.308 3.958 0 40 CHAB CCOc1ccc(C(=O)O)cc1/C=N/c1ccc(OC)cc1 6963872 LVWJGVKOEJUURS-WOJGMQOQSA-N 299.326 3.543 0 40 CHAB CSC(=S)/C(=C/Nc1ncccn1)c1ccccc1 104266799 DPLMOXTVNFMHSK-ZRDIBKRKSA-N 287.413 3.620 0 40 CHAB COc1ccccc1-c1csc(-c2ccncc2)n1 23623205 CSLHJHSYZPFUOI-UHFFFAOYSA-N 268.341 3.881 0 40 CHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCCc2cc(F)c(F)cc21 105571373 NRMIKHQFCZAHQG-GMXVVIOVSA-N 291.341 3.680 0 40 CHAB Cc1ccoc1C(=O)N[C@@H]1CCSc2ccccc21 24281929 DQTUMILGUHPFIX-GFCCVEGCSA-N 273.357 3.555 0 40 CHAB CSc1nc2c(c(=O)[nH]1)[C@@H]1C=C(C)CC[C@@H]1C(C)(C)C2 9692023 HFVQGXYSGIZIDB-MNOVXSKESA-N 290.432 3.514 0 40 CHAB Cc1nc(N)sc1Cc1cccc(C(F)(F)F)c1 35250904 MGVYUJNPGPBJFI-UHFFFAOYSA-N 272.295 3.643 0 40 CHAB CC(C)c1cccc(C(C)C)c1NC(=S)NN(C)C 44051889 GVGWZVZUYLQONX-UHFFFAOYSA-N 279.453 3.696 0 40 CHAB CNc1coc(-c2ccc(OCc3ccccc3)cc2)n1 100367026 QLZOZUKXHVDULK-UHFFFAOYSA-N 280.327 3.962 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)N1CCC[C@@H]1c1cccnc1 12737355 SDPPUWGQCHNFSA-PYUISTEWSA-N 296.345 3.598 0 40 CHAB Cc1ccc(C)c2sc(NCc3ccncc3)nc12 36657586 IJSDQACLNUYYAM-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB CCCCn1nc(NC(C)=O)c2cc3cc(C)ccc3nc21 2452712 ZXWFHDIKPVYOHI-UHFFFAOYSA-N 296.374 3.651 0 40 CHAB C[C@@H](NC(C)(C)C)C(=O)C12CC3CC(CC(C3)C1)C2 27988411 MIAWBOWAAZHWMV-SFCYXTAJSA-N 263.425 3.549 0 40 CHAB CCCCCC[C@H](C)NC(=O)c1ccc[nH]c1=S 12822003 SZDUQIQJRDCROV-NSHDSACASA-N 266.410 3.833 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](N)(=O)c1ccccc1 3865640 JEIUEGUEQPISEY-CQNRTFJUSA-N 295.363 3.941 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1Cl)c1ccn[nH]1 4024861 WVVFQDIAEDHSSL-ZETCQYMHSA-N 257.120 3.857 0 40 CHAB O=C(NCc1ccccn1)Nc1ccc(Cl)cc1Cl 6277105 DLNFRXBGRFOBNJ-UHFFFAOYSA-N 296.157 3.710 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1C[C@@H]1c1ccco1 71834974 ULCFTQGTDPGGAQ-WXHSDQCUSA-N 287.384 3.591 0 40 CHAB CCCNC(=O)/C=C/c1ccc(Cl)cc1Cl 5468516 WDUJPQLHTNBZKT-GQCTYLIASA-N 258.148 3.533 0 40 CHAB CCn1c(=S)[nH]c2cc(-c3ccccc3)sc2c1=O 15829491 AMEJZTRCZQMRTH-UHFFFAOYSA-N 288.397 3.807 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1sccc1C 7655702 ZAZGWUSVRNPEIQ-UHFFFAOYSA-N 281.764 3.971 0 40 CHAB Cc1nc(NC(C)(C)C)sc1C(=O)Nc1ccccc1 7844578 ORBYYRVDEGTTJL-UHFFFAOYSA-N 289.404 3.914 0 40 CHAB Cc1cc(=O)oc2cc(OC[C@@H]3CC3(Cl)Cl)ccc12 8006670 DFEUKVDSAFOVDW-VIFPVBQESA-N 299.153 3.674 0 40 CHAB COC(=O)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 20136182 FYYXECLOLHQSIL-UHFFFAOYSA-N 287.702 3.935 0 40 CHAB O=C(NCCC1=CCCCC1)c1ccc2ccccc2n1 8340914 DACGFHBBLZOVHG-UHFFFAOYSA-N 280.371 3.855 0 40 CHAB O=C(Nc1cccc(OCc2ccncc2)c1)C1=CCCC1 95414637 MEBPODQGMIOPMQ-UHFFFAOYSA-N 294.354 3.709 0 40 CHAB C[C@H]1C[C@H](C)CN(Cc2ccc(N)cc2Br)C1 37515908 DYZRRTDXJJNUOE-QWRGUYRKSA-N 297.240 3.509 0 40 CHAB CC(=O)[C@@H]1CCC(c2ccccc2)(c2ccccc2)C[C@@H]1O 3844298 CLVLAVFCIQZXKQ-OALUTQOASA-N 294.394 3.723 0 40 CHAB biogenic Cc1ncoc1C(=O)Nc1ccc(Cl)cc1Cl 72310334 IZRYXTQSUJUREF-UHFFFAOYSA-N 271.103 3.542 0 40 CHAB Cc1cc([C@H]2CCCN2CC(C)C)cnc1N1CCCC1 72218804 UQXLOXOAIHYHLY-QGZVFWFLSA-N 287.451 3.783 0 40 CHAB CCCCCc1cnc(-c2ccc(C(=O)O)cc2)nc1 34253058 KKBKNYAHAWZKLN-UHFFFAOYSA-N 270.332 3.575 0 40 CHAB Cc1cc(S)ncc1[C@@H]1CCCCN1CC(C)C 72218342 QOXLYJZNVFTJGE-AWEZNQCLSA-N 264.438 3.862 0 40 CHAB Fc1cccc(CNC(=S)Nc2ccc(F)cc2F)c1 46415895 BEVXKUPFXHQPGW-UHFFFAOYSA-N 296.317 3.591 0 40 CHAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccccc1C(F)(F)F 49544265 IRWVQVACLHUQSH-SECBINFHSA-N 295.264 3.563 0 40 CHAB O=C(CCc1ccc(Cl)c(Cl)c1)NC1CCCC1 225320494 ILARDUWUWNMYIP-UHFFFAOYSA-N 286.202 3.985 0 40 CHAB O=Cc1cccn1-c1ccc(Br)c(Cl)c1 223730320 DACQHSJQIZJUPB-UHFFFAOYSA-N 284.540 3.706 0 40 CHAB C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(-c3ccccc3)cn2)O1 332180349 YQRLXUZCUIGCLE-PBFPGSCMSA-N 296.370 3.501 0 40 CHAB Cc1ccc([C@H]2CCCCCN2C(=O)C[C@@H]2CCCO2)o1 98012613 KPSCBUUTVIGIBQ-LSDHHAIUSA-N 291.391 3.601 0 40 CHAB O=C(c1ccc(Cl)c(C(F)(F)F)c1)C(F)F 381060777 KYQTVEYEMNEXEX-UHFFFAOYSA-N 258.573 3.807 0 40 CHAB Cc1ccc(NC(=O)N2CCC3(CC2)CC3(F)F)cc1C 649928645 OBIOVEBXRCGMQB-UHFFFAOYSA-N 294.345 3.957 0 40 CHAB Cc1cc(OCC(C)C)ccc1C(=O)C(F)(F)F 95740042 OEYLHXAYBHSPRK-UHFFFAOYSA-N 260.255 3.775 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1 14013218 DBTKMTHJKLWXCV-MRXNPFEDSA-N 269.344 3.791 0 40 CHAB Nc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1Cl 19481412 RUIVLTRVHLKVTJ-UHFFFAOYSA-N 295.169 3.757 0 40 CHAB O=C(C1CCC1)N1CCC[C@H]1c1nc2ccccc2s1 9501451 UBYZIRBRGLWWIO-ZDUSSCGKSA-N 286.400 3.760 0 40 CHAB Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)c(O)c1 5066036 QKYMDISWMJUZNQ-UHFFFAOYSA-N 293.725 3.674 0 40 CHAB CC(=O)Nc1nc2c(s1)-c1cccc3cccc-2c13 4279307 IAOCYHNHNVFBPN-UHFFFAOYSA-N 266.325 3.902 0 40 CHAB Nc1c(-c2cccs2)nc2ccc(C(F)(F)F)cn12 74543211 XEXQJIPYYBPSTA-UHFFFAOYSA-N 283.278 3.664 0 40 CHAB CC(C)CCOc1ccc(Cl)cc1CN1CCOCC1 19809178 BCUSJEBDSGZLBB-UHFFFAOYSA-N 297.826 3.597 0 40 CHAB O=C(Nc1cccc(Cl)c1F)NC1CCCC1 40103693 AGNPUPCBFANFNN-UHFFFAOYSA-N 256.708 3.543 0 40 CHAB CC(C)CCC(=O)N(C)Cc1nc2ccccc2s1 32740980 WZAIDKFCQRPIKV-UHFFFAOYSA-N 276.405 3.691 0 40 CHAB Cc1ccc(C)c(OCC(=O)N2CCCc3ccccc32)c1 142677 GLIDRNLQFRGPNA-UHFFFAOYSA-N 295.382 3.662 0 40 CHAB CCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 149449 QHWQGNTYRDNUOM-UHFFFAOYSA-N 260.362 3.775 0 40 CHAB O=C(COc1cccc2ccccc12)Nc1ccc(F)cc1 362401 WKUVFLSUTRKUKH-UHFFFAOYSA-N 295.313 3.996 0 40 CHAB O=C(O)CC1(CC(=O)Nc2ccc(Cl)cc2)CCCC1 553883 VAUQONGYWKKNTP-UHFFFAOYSA-N 295.766 3.704 0 40 CHAB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1 2329724 MRPWMJUQIHSLRT-TZMCWYRMSA-N 277.364 3.542 0 40 CHAB O=C(Nc1ccc(F)cc1F)c1ccc2ncsc2c1 2630606 DTDBESZWZLHGPJ-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB CCC[C@H](C)C(=O)OCC(=O)c1cccc(Cl)c1 3303308 AIVYPYSGFJZMOW-JTQLQIEISA-N 268.740 3.502 0 40 CHAB O=C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1 3306483 XWOTUBHDCDTDOM-UHFFFAOYSA-N 282.339 3.527 0 40 CHAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1 3598095 XAZABFAYRUEUHH-LBPRGKRZSA-N 287.384 3.588 0 40 CHAB O=C(CSCc1ccccc1)Nc1ccccc1F 3601995 CMXLDPZWGJMXDM-UHFFFAOYSA-N 275.348 3.698 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](C)OC(=O)c1ccccc1F 3904959 RVQIYLDWJBKUAL-HZSPNIEDSA-N 293.382 3.634 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1 4103707 MMHOORGJMMGYJY-HNNXBMFYSA-N 284.384 3.754 0 40 CHAB Cc1oc2ccc(O)cc2c1C(=O)OCCc1ccccc1 4136946 PFEMQVZRLVEOPJ-UHFFFAOYSA-N 296.322 3.846 0 40 CHAB Cc1ccccc1CSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 4180691 YHHUMHROJPMLDH-LZWOXQAQSA-N 289.444 3.533 0 40 CHAB FC(F)(F)c1ccc2sc(C3CCNCC3)nc2c1 4219236 TVCHTNHZBYJKSL-UHFFFAOYSA-N 286.322 3.782 0 40 CHAB Fc1ccc(CNCc2ccc(Br)cc2)cc1 4657561 GAVZNUSBNNCFFC-UHFFFAOYSA-N 294.167 3.878 0 40 CHAB COc1ccc(NC(=O)/C(C)=C/c2ccccc2)cc1 4696222 WWZALPXGKOLJDV-OUKQBFOZSA-N 267.328 3.737 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1c[nH]c2ccccc12 5299882 SPRIUNZPZBWWKA-WCQYABFASA-N 271.364 3.868 0 40 CHAB CCc1[nH]c2ccc(C)cc2c1C(=O)c1cccnc1 5572928 AIULPEFPYRRLLJ-UHFFFAOYSA-N 264.328 3.665 0 40 CHAB CCOc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 6616442 VLDZIFNRRYJOID-GOSISDBHSA-N 295.382 3.893 0 40 CHAB Cc1ccc(C)c(NC(=O)c2sc(C)nc2C)c1 6767525 HLBNNELWTFQSRE-UHFFFAOYSA-N 260.362 3.629 0 40 CHAB Cc1sc2nc(/C=C/c3ccsc3)[nH]c(=O)c2c1C 6953216 KATULZJDBSAITP-ONEGZZNKSA-N 288.397 3.833 0 40 CHAB CCc1ccccc1NC(=O)c1noc2c1C[C@H](C)CC2 7000169 OCTXAYPGKPUENA-LLVKDONJSA-N 284.359 3.614 0 40 CHAB CC(=O)c1ccccc1NC(=O)/C=C/c1cccc(F)c1 7642676 XUVQHJHQUJSQJE-MDZDMXLPSA-N 283.302 3.680 0 40 CHAB CCCOc1ccc(C(=O)NCCCc2ccccc2)cc1 7668778 GAEUMFMNJRRTNY-UHFFFAOYSA-N 297.398 3.838 0 40 CHAB C[C@H]1Cc2ccccc2N1Cc1ccc(-n2ccnc2)cc1 7738376 ZARFRCIHTURGPR-HNNXBMFYSA-N 289.382 3.824 0 40 CHAB CCOc1ccccc1C(=O)Nc1ccc(C)c(F)c1 8325580 ZOCZDBPSRYYLAW-UHFFFAOYSA-N 273.307 3.785 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2)c2cnn(C(C)C)c2n1 10808756 XMMMDMCTHZMVSG-UHFFFAOYSA-N 294.358 3.573 0 40 CHAB CCn1ccnc1S[C@@H](C)C(=O)c1c[nH]c2ccccc12 11890621 UHHVOQTUOAEHNG-NSHDSACASA-N 299.399 3.748 0 40 CHAB CCOCCn1c(-c2ccc(OC)cc2)nc2ccccc21 12411241 NBCURTAYHLMSQJ-UHFFFAOYSA-N 296.370 3.748 0 40 CHAB C[C@H](NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C)c1ccccc1 16804826 YRRGAAPZEMLIFP-FASAQXTFSA-N 299.414 3.649 0 40 CHAB CCCCOc1ccccc1C(=O)Nc1cccc(N)c1 19736021 QSRNCCLGEYKJOO-UHFFFAOYSA-N 284.359 3.700 0 40 CHAB C[C@H](Oc1ccccc1Cl)C(=O)N(C)C1CCCC1 22517453 QHTRUKLGNBBCSO-NSHDSACASA-N 281.783 3.508 0 40 CHAB O=C(Nc1ccccc1Cl)c1cc(F)ccc1F 22559828 NOSIWUGIOCJGLU-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB CC[C@H](C)NC(=O)c1cnn(-c2ccccc2C)c1C1CC1 29740352 BVPMEEQCZJRTQW-ZDUSSCGKSA-N 297.402 3.586 0 40 CHAB Nc1nc2c(s1)[C@H](c1cccc(Cl)c1)CC(O)=N2 32092144 JKDBHMJRGHBENV-QMMMGPOBSA-N 279.752 3.502 0 40 CHAB COc1cc(O)cc2c1C(=O)O[C@H](C)CCCCCCC2 32222038 OKWRDLQBKAOJNC-GFCCVEGCSA-N 292.375 3.843 0 40 CHAB biogenic,in-vitro CC(C)(C)C(=O)NCc1ccc(COc2ccccc2)cc1 32304437 QAQOHZBYONLRGR-UHFFFAOYSA-N 297.398 3.928 0 40 CHAB Clc1ccc2oc(-c3ccc(-n4cnnc4)cc3)nc2c1 40542231 YBXAWQVZESMTFM-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB Cc1ccnc(C(=O)c2ccc(Cl)cc2Cl)c1 45028634 CKXXWYQIPJVYMI-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1nc(C)c([C@H](C)NC(=O)N[C@H]2CCC[C@H](C)C2)s1 49242254 NCDDVHJAMPYCQG-GAFUQQFSSA-N 295.452 3.699 0 40 CHAB CC(C)Oc1cccc(CNC(=O)NC2CCCCC2)c1 55328722 XWNLPHDBOVXDDC-UHFFFAOYSA-N 290.407 3.606 0 40 CHAB Cc1ccccc1C[S@](=O)Cc1ccccc1F 58168119 HWAMOWIIJYRJFP-GOSISDBHSA-N 262.349 3.583 0 40 CHAB C[C@H](CNCCCc1nc2ccccc2[nH]1)c1ccccc1 62718678 QZZUCSHMYZKKSU-OAHLLOKOSA-N 293.414 3.889 0 40 CHAB Nc1cc(CN2CCCCC2)ccc1NC1CCCCC1 71788744 NXHYXQLSKRIYMT-UHFFFAOYSA-N 287.451 3.999 0 40 CHAB O=C(c1ccccc1)c1cccc(NC(=O)N2CCCC2)c1 71857132 ATOJFZUZZDOQHQ-UHFFFAOYSA-N 294.354 3.545 0 40 CHAB CCCCc1nn(-c2ccc(OC)cc2)c(Cl)c1C=O 71976531 NMVUIFDGASJJPD-UHFFFAOYSA-N 292.766 3.689 0 40 CHAB CC(C)CN1CCCC[C@@H]1c1ccc(S)nc1 72217023 KLOJJZGJCMUSAB-CYBMUJFWSA-N 250.411 3.553 0 40 CHAB C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@H]1CC[C@H]2O)CC(=O)CC4 79873433 BAZGVDKAIHZPOH-ZKXLYKBJSA-N 274.404 3.633 0 40 CHAB biogenic O=C(c1nccc2ccccc12)N1CCC[C@@H]1c1ccc[nH]1 84598716 GJBASEQSVJFZAS-MRXNPFEDSA-N 291.354 3.540 0 40 CHAB COc1cccc(F)c1C(=O)c1ccc(Cl)cc1 88079932 ZMPIUIDSSIPURH-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB Cc1ccc(-c2noc(-c3ccccc3C(=O)O)n2)cc1C 89262304 LCGGXPSZBSNJGT-UHFFFAOYSA-N 294.310 3.719 0 40 CHAB Cc1cnc([C@@H](C)N[C@@H](C)Cc2ccsc2)s1 96479074 GYLBFPCIJHFZGC-GXSJLCMTSA-N 266.435 3.795 0 40 CHAB Cc1cc(C)c2nc(C(F)(F)F)nc(Cl)c2c1 96865410 ORDOCFPAQBYPHL-UHFFFAOYSA-N 260.646 3.919 0 40 CHAB Cc1ccc(F)cc1Cn1c(C(=O)O)cc2ccccc21 97849977 SLYXQTNONXADEJ-UHFFFAOYSA-N 283.302 3.835 0 40 CHAB CCc1cccc(C)c1NC(=O)C1C[C@H]2CCC[C@H](C1)C2=O 103031501 CJDFSYFJGJHVCY-HUUCEWRRSA-N 299.414 3.891 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccnn1C1CCCC1 105931581 VDYXWGVNOZUPFG-IHRRRGAJSA-N 287.407 3.763 0 40 CHAB CCc1ccc(CC(=O)N[C@H](C)CCc2ccccc2)cc1 223863047 HGCBLEDJAZGZSW-MRXNPFEDSA-N 295.426 3.929 0 40 CHAB Cc1ccc(O[C@H](Cc2c(C)cccc2C)C(=O)O)cc1C 225031832 UQCJMLYKUSFBGR-GOSISDBHSA-N 298.382 3.995 0 40 CHAB COc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1N 226265127 HNNJMGPGTSMGHK-UHFFFAOYSA-N 292.338 3.683 0 40 CHAB CC(=O)Nc1ccc(/C=C/c2ccccc2)c(NC(C)=O)c1 255190521 XTKMCDDJRBRGAR-CMDGGOBGSA-N 294.354 3.774 0 40 CHAB CC[C@@H](C)n1ccc(NCc2cnn(C3CCCC3)c2)n1 256050349 DSOILNQFANGJSL-CYBMUJFWSA-N 287.411 3.778 0 40 CHAB Fc1ccc(Br)c(CN2CCCCCC2)c1 303245328 LNWPKXFJOYEKBA-UHFFFAOYSA-N 286.188 3.964 0 40 CHAB Cc1csc(C(=O)Nc2cccc(F)c2F)c1 334928601 BEEGSNKMHADBJZ-UHFFFAOYSA-N 253.273 3.587 0 40 CHAB C[C@H](c1ccccc1)[C@@H]1NN=C(c2ccccc2)S1 409080021 HJKBWXRGVJJQGO-IUODEOHRSA-N 268.385 3.814 0 40 CHAB CCCCc1ccc(C(=O)C(C)(C)OC(C)=O)cc1 575357436 CZPIUJZPJBDGKV-UHFFFAOYSA-N 262.349 3.554 0 40 CHAB Cc1ccc(CN2CC(n3c(C)nc4ccccc43)C2)s1 1775975635 LIGOPSRFAINVSE-UHFFFAOYSA-N 297.427 3.772 0 40 CHAB Oc1cccc(Nc2cc(-c3ccccc3)ncn2)c1 1286889 QQUQOCDTRITFQE-UHFFFAOYSA-N 263.300 3.593 0 40 CHAB CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@](C)(O)C2=O 1570323 LEFXKTBEJJFWRN-QGZVFWFLSA-N 276.376 3.565 0 40 CHAB CCN(CC)[C@H](C)[C@@H](O)c1ccc2cccc3c2c1CC3 1592045 FXEIPEMCWVHOLS-BFUOFWGJSA-N 283.415 3.702 0 40 CHAB O=C(Nc1nc(-c2ccccc2)cs1)C1CCC1 3561747 HEIBSPGFAPXMPJ-UHFFFAOYSA-N 258.346 3.549 0 40 CHAB CC(C)(C)c1cc(Br)c2c(c1)OC=CO2 4671477 NWONVKKCYPUIRX-UHFFFAOYSA-N 269.138 3.989 0 40 CHAB O=C1N[C@H](c2cccc(Cl)c2Cl)Oc2ccccc21 4997895 UILYVAWLEHOCPC-AWEZNQCLSA-N 294.137 3.814 0 40 CHAB Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1 5031581 ZSPMPHNFDHOXIT-UHFFFAOYSA-N 271.703 3.696 0 40 CHAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccco1 5244884 FQSAMRJJRNCOPX-UHFFFAOYSA-N 284.359 3.912 0 40 CHAB Cc1cccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)c1 5689551 ZLFLSCGLBHIOKM-GXTWGEPZSA-N 262.422 3.860 0 40 CHAB c1ccc2c(-c3cc(C4CCNCC4)[nH]n3)cccc2c1 5762761 KJCOJSQXSSWBOW-UHFFFAOYSA-N 277.371 3.697 0 40 CHAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1 6789747 DFDWFEBAIMQKOB-UHFFFAOYSA-N 296.395 3.877 0 40 CHAB Cc1ccc(NC(=O)CSc2ccccn2)c(Cl)c1 6831298 KGYYJJUZVOKPNM-UHFFFAOYSA-N 292.791 3.774 0 40 CHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCCCCC1 6882321 JLIFWPGIJMURQD-GFCCVEGCSA-N 280.799 3.543 0 40 CHAB Cc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 7370198 BFEORRUJMUSJII-SFHVURJKSA-N 294.398 3.735 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1cccc2cccnc12 8011349 VMZJYVDLWSHCLJ-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB COc1ccc2c(CNc3ccc(F)cc3)cc(=O)oc2c1 8130669 IIAYZGOZFRQVHZ-UHFFFAOYSA-N 299.301 3.553 0 40 CHAB Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc2c(c1)CCCC2 8880136 XOXDIBPAIANJHB-ZDUSSCGKSA-N 297.446 3.767 0 40 CHAB Cc1ccsc1CN(C)C(=O)Nc1ccccc1F 12889719 LHUIVJXRGLRZGW-UHFFFAOYSA-N 278.352 3.860 0 40 CHAB Cc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2ncnn21 13131668 POGWTRRCYJWWKQ-IAGOWNOFSA-N 290.370 3.733 0 40 CHAB aggregator CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708555 LTHHIEKMUCMSJK-ZIAGYGMSSA-N 285.387 3.912 0 40 CHAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccnc1 13709087 SDJQMEDITAVYHX-CYBMUJFWSA-N 292.338 3.641 0 40 CHAB COc1cccc(CNCCC2=CCCCC2)c1OC 13723727 BAXHQNXNJOWUMQ-UHFFFAOYSA-N 275.392 3.684 0 40 CHAB CCOC(=O)c1ccc(NCc2ccc3[nH]ccc3c2)cc1 15424262 OMCQRMCTFPJTTA-UHFFFAOYSA-N 294.354 3.957 0 40 CHAB C[C@@H]1c2cccn2CCN1C(=O)Nc1cccc(Cl)c1 17742811 RBJCJJINMWLGEJ-LLVKDONJSA-N 289.766 3.750 0 40 CHAB CC(C)c1cc(=O)[nH]c(Nc2cc(Cl)cc(Cl)c2)n1 19941893 XLWBZEVXKZSQOI-UHFFFAOYSA-N 298.173 3.944 0 40 CHAB Nc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1 19950812 ZVICQZBGBFGBCJ-UHFFFAOYSA-N 271.703 3.696 0 40 CHAB Cc1noc2nc(-c3ccccc3Cl)cc(C(=O)O)c12 22221328 QAYKXDMMRJUXMY-UHFFFAOYSA-N 288.690 3.550 0 40 CHAB CC[C@H](NC(=O)Cc1cccs1)c1ccc(OC)cc1 24595315 QPPDFHXWJJNTKQ-HNNXBMFYSA-N 289.400 3.567 0 40 CHAB c1ccc(-c2ccc(Oc3cc4nncn4cn3)cc2)cc1 24985375 MLCUOQIQEVUUMJ-UHFFFAOYSA-N 288.310 3.584 0 40 CHAB CC[C@H](C)NC(=O)c1ccc(COc2ccc(F)cc2)o1 28576836 YIIPKRBITCXIAF-NSHDSACASA-N 291.322 3.526 0 40 CHAB CC1CCC(NC(=O)Cc2coc(-c3ccccc3)n2)CC1 28777844 MHLOSIAZRJBGNZ-UHFFFAOYSA-N 298.386 3.579 0 40 CHAB CC[C@@H](C)NC(=O)/C=C\c1ccc(Cl)c(Cl)c1 31425118 WMHSFCNWWYFBSS-WILPJHFFSA-N 272.175 3.921 0 40 CHAB O=C(CCCc1nc2ccccc2o1)Nc1ccccc1 31808806 GEPVGBDZJCESOS-UHFFFAOYSA-N 280.327 3.789 0 40 CHAB CC(C)[C@H](NC(=O)/C=C/c1ccncc1)c1cccs1 32247268 XWOGXYRTBTVKJQ-JFDDCEBESA-N 286.400 3.670 0 40 CHAB CCc1oc2ccccc2c1/C=C/C(=O)NCC(F)(F)F 32780848 QWGZMXQSQBAFND-BQYQJAHWSA-N 297.276 3.687 0 40 CHAB c1csc(-c2csc(CNCCN3CCCC3)c2)c1 35256046 XIUSYKDVDJTHJU-UHFFFAOYSA-N 292.473 3.662 0 40 CHAB O=c1[nH]nc(-c2ccc(Cl)c(Cl)c2)c2ccccc12 36961826 GKHJJRRZTWDZJO-UHFFFAOYSA-N 291.137 3.897 0 40 CHAB in-vitro C[C@H](NCc1cnn(C(C)(C)C)c1)c1ccc(F)c(F)c1 37277480 HGQKHRNDBWIRQR-NSHDSACASA-N 293.361 3.767 0 40 CHAB COc1cccc([C@@H](N)Cc2cc(C)cc(C)c2)c1 38077294 LGFHYNNNCWRVMF-KRWDZBQOSA-N 255.361 3.555 0 40 CHAB in-vitro Cc1ccc(-c2nc(COc3cccc(F)c3)no2)cc1 40051473 VJRQTIWJOSVMEI-UHFFFAOYSA-N 284.290 3.763 0 40 CHAB O=C(CCCSc1ccccc1)NC1CCCC1 40160895 VWSDNFAPGWJECS-UHFFFAOYSA-N 263.406 3.618 0 40 CHAB O=C1Nc2ccccc2[C@H]1Cc1c(F)cccc1Cl 40267120 KWIPHIPGIZMFKE-SNVBAGLBSA-N 275.710 3.758 0 40 CHAB COC(=O)c1cc(OCc2ccccc2)c2[nH]ccc2c1 40564579 YIBLEJYPNQHEIQ-UHFFFAOYSA-N 281.311 3.534 0 40 CHAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1cccs1 48841901 SHWVVMFLZAHAAH-UHFFFAOYSA-N 295.429 3.580 0 40 CHAB COc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccccc12 49580947 GMCKZEHFYUNGTD-OKILXGFUSA-N 297.398 3.967 0 40 CHAB CC[S@@](=O)c1ccccc1C(=O)OCC1CCCCC1 57634942 BGYRJLOBKLATOP-FQEVSTJZSA-N 294.416 3.551 0 40 CHAB COc1ccc2c(Nc3cccc(N)c3)ccnc2c1 64875384 UDOMDSVSDHXXBF-UHFFFAOYSA-N 265.316 3.569 0 40 CHAB Cc1cc(CN(C)[C@@H](C)c2cccnc2)ccc1F 65371590 MMUFQJTWMFVURQ-ZDUSSCGKSA-N 258.340 3.722 0 40 CHAB CCc1cc(CNCc2c(Cl)cccc2Cl)[nH]n1 69815324 QSCALQOWZGRVET-UHFFFAOYSA-N 284.190 3.569 0 40 CHAB CCO[C@@H]1C[C@@H](NCc2cccc(O)c2)C12CCCCC2 75092252 IIRGZAREOFZPFD-IAGOWNOFSA-N 289.419 3.610 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)c2cc3nc(C)ccc3o2)c1C 78441025 CKOUIGQWCZWCKE-UHFFFAOYSA-N 296.326 3.515 0 40 CHAB CC[C@@H](C)Oc1cc(F)c(F)cc1Br 95915369 QEZSXJXVMHFOFR-ZCFIWIBFSA-N 265.097 3.905 0 40 CHAB CCC[C@@H](NC(=O)c1c(C)noc1C)c1cccs1 95954863 BDFGZNDWDZTMIY-LLVKDONJSA-N 278.377 3.624 0 40 CHAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccco1 96232786 SZSHEMZQNNVRHN-AWEZNQCLSA-N 280.327 3.568 0 40 CHAB C[C@@H](Nc1cccc(Cn2cccn2)c1)c1cncc(F)c1 97037343 CXVDMPWHXNBVMG-CYBMUJFWSA-N 296.349 3.639 0 40 CHAB Oc1cccc(NCc2cnn(-c3ccc(Cl)cc3)c2)c1 97104742 TZGIRNZGSZXJPS-UHFFFAOYSA-N 299.761 3.843 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)s1 100622641 RFNRIMXQDDDNGY-FDYHWXHSSA-N 263.406 3.611 0 40 CHAB CCC1(NC(=S)Nc2ccc(F)cc2F)CCCC1 225857387 GWZJXEVNCIXHMH-UHFFFAOYSA-N 284.375 3.974 0 40 CHAB c1ccc([C@@H]2Cn3ccnc3CN2Cc2ccsc2)cc1 257336683 YPOMDYVZMPKMPR-INIZCTEOSA-N 295.411 3.702 0 40 CHAB Cc1cc(C(=O)NCC(C)(C)c2ccsc2)c(C)o1 1565519299 KKICLNFWXIUIHL-UHFFFAOYSA-N 277.389 3.666 0 40 CHAB Cc1ccc(SC(=O)c2ccc(Cl)nc2)cc1 166084 MHHZZQMMRUGRQE-UHFFFAOYSA-N 263.749 3.976 0 40 CHAB CN1[C@H](c2ccccc2)CC(C)(O)C[C@@H]1c1ccccc1 208435 YKVNCLSIBPRPTL-DFNIBXOVSA-N 281.399 3.946 0 40 CHAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1 217277 YDWXOUSZTLISCA-BLLLJJGKSA-N 282.387 3.852 0 40 CHAB O=C(Nc1ccsn1)c1ccc(Cl)cc1Cl 410312 HHVAJJQHSRTHRZ-UHFFFAOYSA-N 273.144 3.702 0 40 CHAB Cc1cccc(NC(=O)c2cc(Cl)nc3ccccc23)n1 549809 CYBPDEKRJMSSCD-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB Nc1cc(F)c(F)cc1Sc1cc(F)c(F)cc1N 1595364 JYCYVTHXSQIVKB-UHFFFAOYSA-N 288.269 3.559 0 40 CHAB Cc1cccc(NC(=O)N(C)Cc2cccs2)c1 3359283 BMUCLSFBYGJBLP-UHFFFAOYSA-N 260.362 3.720 0 40 CHAB O=C(O)c1cccnc1Sc1cccc(C(F)(F)F)c1 4218313 JIRPHTGRJDLTME-UHFFFAOYSA-N 299.273 3.950 0 40 CHAB O[C@H](c1cccc(F)c1)c1ccc(F)c(Cl)c1 4242368 FMZBMPXYPIHNSQ-CYBMUJFWSA-N 254.663 3.700 0 40 CHAB C(=NNc1ccccc1)c1nnsc1-c1ccccc1 4280986 IRFITCFAXJQRDV-UHFFFAOYSA-N 280.356 3.651 0 40 CHAB biogenic CC(=O)SC[C@H](C)[C@@H]1CC[C@H](C)[C@@H](SC(C)=O)C1 4706045 HGDCJIHXSWQFGW-ZNIXKSQXSA-N 288.478 3.987 0 40 CHAB O[C@@H]1c2ccccc2-c2cc(Br)ccc21 4917156 GYBYYSKYAJLEJQ-CYBMUJFWSA-N 261.118 3.511 0 40 CHAB O=C1S/C(=C/c2cccs2)C(=O)N1c1ccccc1 5234135 ULRGJMCRIVPTEP-FMIVXFBMSA-N 287.365 3.989 0 40 CHAB COc1ccc(OC)c(CC(=O)Nc2cc(C)cc(C)c2)c1 5241697 YABRVADGIDFZTD-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB CCOC(=O)N[C@H](Cc1ccccc1)c1ccccc1 5575161 QOIGPCFSWDGKDJ-MRXNPFEDSA-N 269.344 3.717 0 40 CHAB CCCc1cc(=O)[nH]c(Nc2ccc3ccccc3c2)n1 5625394 LPAYFLRPTZGZBS-UHFFFAOYSA-N 279.343 3.619 0 40 CHAB O=C(NCc1ccc(F)cc1)c1ccc(F)cc1Cl 6305904 XZHDWKUJUHCVQU-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CCCNC(=O)CSCc1c(Cl)cccc1Cl 6879722 KDPZILSBIGWKMW-UHFFFAOYSA-N 292.231 3.753 0 40 CHAB CC1CCN(C(=S)c2ccc(Cl)cc2)CC1 9189027 NGSLRAUDXFEMEY-UHFFFAOYSA-N 253.798 3.747 0 40 CHAB OCc1cccc(Nc2ncnc3c2oc2ccccc23)c1 9314176 SUDFJNUJOJSJQF-UHFFFAOYSA-N 291.310 3.612 0 40 CHAB CN(CCc1ccccn1)C(=O)c1cc2ccccc2s1 9314362 IMASBWYPHSAQOP-UHFFFAOYSA-N 296.395 3.611 0 40 CHAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccccn1 9421982 USNDPAWOXNDMQD-UHFFFAOYSA-N 279.343 3.524 0 40 CHAB Nc1cccc(-c2nc(Cc3ccccc3)cs2)c1 11632125 HLRZSWDTXYXURL-UHFFFAOYSA-N 266.369 3.983 0 40 CHAB c1coc(-c2cnc(NC3CC3)nc2-c2ccco2)c1 12253084 QVPWUZWMILIESS-UHFFFAOYSA-N 267.288 3.571 0 40 CHAB O=C(O)C=CC(=O)c1ccc(C2CCCCC2)cc1 12370116 YJJOPFUDTMESJU-UHFFFAOYSA-N 258.317 3.558 0 40 CHAB Cc1ccc(C(=O)Nc2cnc3ccccc3c2)s1 12546142 RZAOFFZNKMJREM-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB Cc1cc(C)nc(NC(=O)Nc2ccc(C)c(F)c2)c1 13320332 ZTDSLILNPRQPRD-UHFFFAOYSA-N 273.311 3.790 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1 14022375 MCJGGAMBURUVSS-INIZCTEOSA-N 287.334 3.930 0 40 CHAB Cc1ccc(O)c(NC(=S)Nc2ccccc2F)c1 17007528 ZTVXZNKZTRUDSP-UHFFFAOYSA-N 276.336 3.649 0 40 CHAB C[C@@H]1CCCN([C@@H](CN)c2cccc(Cl)c2Cl)C1 19806666 GKTKLFLXYDSQAX-MFKMUULPSA-N 287.234 3.725 0 40 CHAB CCc1cc2c(N3CCc4ccccc43)ncnc2s1 21651640 IVDAAJXLPROLRF-UHFFFAOYSA-N 281.384 3.948 0 40 CHAB COc1ccc(NC(=O)CCc2ccsc2)cc1Cl 21889686 ALVPXSAJSUMYTB-UHFFFAOYSA-N 295.791 3.981 0 40 CHAB CCOc1ccc(-n2c(C)c(C)c(C=O)c2C)cc1 22122404 MJYAOGMEQISFSC-UHFFFAOYSA-N 257.333 3.614 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1C 22250630 XQHNKHFVUVGAOE-UHFFFAOYSA-N 273.307 3.785 0 40 CHAB CCOc1ccc([C@H](C)NC(=O)c2cccc(OC)c2)cc1 26048827 ZGTJPDDZKNIEJT-ZDUSSCGKSA-N 299.370 3.585 0 40 CHAB C[C@H](NC(=O)/C=C/c1ccncc1)c1ccc(Cl)s1 33193503 NTJAEJMDOQFBFI-FWYAXHSGSA-N 292.791 3.687 0 40 CHAB O=C(c1ccccc1)c1cc(Br)ccc1F 36941609 RERLHWDVTGPLOY-UHFFFAOYSA-N 279.108 3.819 0 40 CHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1c1cccs1 37493376 DEETYUQUULRPFT-AWEZNQCLSA-N 297.383 3.602 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(F)cc1Cl 39995069 ZTMNHGLLRKJDFB-PHIMTYICSA-N 299.773 3.647 0 40 CHAB CCc1nc(NC(=O)c2ccc3ccccc3n2)sc1C 40118956 CBIFETWVCNEHQF-UHFFFAOYSA-N 297.383 3.814 0 40 CHAB Cc1nc(-c2ccc(NC(=O)N3CCCC3)cc2)cs1 40498732 AMYKYJIKGXGDCG-UHFFFAOYSA-N 287.388 3.746 0 40 CHAB Cc1nc(N)cc(Nc2ccc(Oc3ccccc3)cc2)n1 49467306 SICVGGFUNSHUSL-UHFFFAOYSA-N 292.342 3.903 0 40 CHAB CCCCc1ccc(C(=O)CCCC(=O)OC)cc1 49850610 CJKGJIWNHCUYBY-UHFFFAOYSA-N 262.349 3.555 0 40 CHAB Cc1ccc(N(C(=O)c2cnc(C)s2)C(C)C)cc1 69419616 GFBHHRTWVPQVKL-UHFFFAOYSA-N 274.389 3.815 0 40 CHAB Nc1ccc(Oc2nccc(C(F)(F)F)n2)c(Cl)c1 70266382 QTZPRUFVOKDCKT-UHFFFAOYSA-N 289.644 3.523 0 40 CHAB Cc1ccc2nc(C)c(C(=O)NCCC3=CCCCC3)n2c1 71476837 CARNDNWXBSIAMP-UHFFFAOYSA-N 297.402 3.571 0 40 CHAB c1ccc(CN2CCCC[C@@H]2c2ccccn2)cc1 72210992 ZGNGBBMEYSSAIL-QGZVFWFLSA-N 252.361 3.809 0 40 CHAB Cc1ncc(NC(=O)Nc2ccccc2)c(C)c1Cl 72264660 AJSZOGLQWKDHON-UHFFFAOYSA-N 275.739 3.996 0 40 CHAB Cc1ccc(C(=O)C(=O)N2CCCC[C@@H]2CC(C)C)cc1 75110723 HIGFRUYBMQBWMO-MRXNPFEDSA-N 287.403 3.605 0 40 CHAB CCOC(=O)Nc1c(F)ccc2nc(Cl)sc12 75251581 SIDNQCULOANOBO-UHFFFAOYSA-N 274.704 3.657 0 40 CHAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnco1 82337006 YTBATUHTYBNFJN-UHFFFAOYSA-N 290.628 3.599 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1ccnc2ccccc12 83313970 ZDUXPMAWADEVBP-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB CN(Cc1cccn1C)C(=O)c1cc(Cl)cc(Cl)c1 84321861 PIWHAVZAGTVAFB-UHFFFAOYSA-N 297.185 3.604 0 40 CHAB CN(CCC(=O)c1ccc(Cl)cc1)CCC(F)(F)F 88435849 LTYLPIUWVJUKDG-UHFFFAOYSA-N 293.716 3.797 0 40 CHAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCC1(C)C 95457175 VXVCAWZWHQOQIN-HRLGVUPISA-N 285.497 3.625 0 40 CHAB C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@]45C[C@H]4CC[C@]35C)[C@@H]1CCC2=O 96031667 NIDVKCKYZAQGOI-BTAVXEMNSA-N 288.431 3.569 0 40 CHAB in-vitro CC[C@@](C)(NC(=O)CC1=CCCCC1)c1nccs1 96416605 CEGCVOVZUTVESX-OAHLLOKOSA-N 278.421 3.775 0 40 CHAB C[C@H](c1cccnc1)N(C)Cc1cnc2ccsc2c1 97113724 ZDDHQSQTNCMJNG-GFCCVEGCSA-N 283.400 3.884 0 40 CHAB O=C(O)Cc1cc(Cl)c(Cl)c(OC(F)(F)F)c1 98210727 XQRFKCKDLDTDIX-UHFFFAOYSA-N 289.036 3.519 0 40 CHAB Cc1ccc(C(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 102179262 JYFQYTBVEGUFNZ-CWRNSKLLSA-N 286.371 3.547 0 40 CHAB CC(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 103447865 DZOKHJLSFKOOIC-IIYDPXPESA-N 274.408 3.559 0 40 CHAB O=C(Cc1cnc2ccccc2c1)OCc1ccccc1 188244766 CJQPTWIOOCXSAE-UHFFFAOYSA-N 277.323 3.521 0 40 CHAB CCC1(CC)CCCN(C(=O)CC[C@@H]2CCOC2)CC1 188867006 DBWYQFDTQOPQME-OAHLLOKOSA-N 281.440 3.622 0 40 CHAB C[C@@H](N)CCc1ccc(-c2cncc(C(F)F)c2)cc1 521398665 XKUOSNOBTSLZGR-LLVKDONJSA-N 276.330 3.966 0 40 CHAB CC(=O)c1cc(-c2cccc(C(F)(F)F)c2)no1 124090 AHDZGWUYNWWHGQ-UHFFFAOYSA-N 255.195 3.563 0 40 CHAB biogenic c1ccc(-c2cc3c(-n4cccc4)ncnc3o2)cc1 144039 YENSLLPLIAMTRS-UHFFFAOYSA-N 261.284 3.681 0 40 CHAB Cc1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1 150114 PXGWJPYGOZQLGB-UHFFFAOYSA-N 257.337 3.624 0 40 CHAB Oc1cc(C(F)(F)F)nc2cc(C(F)(F)F)ccc12 170979 KBTXVMVBORZGOL-UHFFFAOYSA-N 281.155 3.978 0 40 CHAB CCn1c(NCc2ccc(OC)cc2)nc2ccccc21 804806 ASRWESSLJNDBFK-UHFFFAOYSA-N 281.359 3.677 0 40 CHAB O=C(Nc1ccc2c(c1)Cc1ccc(F)cc1-2)C(F)(F)F 1598762 ACYUYGOCECJDII-UHFFFAOYSA-N 295.235 3.898 0 40 CHAB O=C(O)[C@H]1CC2(CC[C@@H]1c1ccccc1)SCCS2 1644715 NPAMBDXBAONOKE-OLZOCXBDSA-N 294.441 3.831 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccc(F)cc1 2242945 RFVHMMPOTGMPTJ-UHFFFAOYSA-N 266.312 3.522 0 40 CHAB CCCCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1 2739848 YODPKVHBLFCCIE-GFCCVEGCSA-N 283.799 3.804 0 40 CHAB CCc1ccccc1NC(=O)[C@](F)(Cl)C(F)(F)F 2751808 DJZGOEVMVZQFGC-SNVBAGLBSA-N 283.652 3.654 0 40 CHAB O=C(c1ccccc1)c1ccc2nc[nH]c3cccc1c23 3098266 BTNIOSVCPNBPKM-UHFFFAOYSA-N 272.307 3.947 0 40 CHAB CC(=O)[C@@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(C)C 3846285 YOZCVQKUWBRLMA-HNKHHVNMSA-N 282.424 3.852 0 40 CHAB Fc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@H](c1ccco1)N2 4204907 BGXDUIOHIMCBER-KMUNFCNLSA-N 259.280 3.663 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 4613862 KQIKUEMEPOYEBC-KFKAGJAMSA-N 293.410 3.928 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(C)cc1 5683798 PCVORMWCOXVSHT-SFHVURJKSA-N 292.382 3.720 0 40 CHAB CCN(Cc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 6558835 MXHGZIXFMLJXSE-UHFFFAOYSA-N 292.382 3.759 0 40 CHAB COc1ccc(NC(=O)CCn2ccc3ccccc32)cc1 7917375 CYJTZZPTUHVUCR-UHFFFAOYSA-N 294.354 3.679 0 40 CHAB CCCCc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 9064116 YQQUWWQMVJZVJG-UHFFFAOYSA-N 292.448 3.888 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 12734609 PKEANWHPRLMFGP-UHFFFAOYSA-N 279.339 3.630 0 40 CHAB COc1ccc(-c2cc3nc4c(c(Cl)n3n2)CCC4)cc1 13562642 CEKDWNXDXQKSMA-UHFFFAOYSA-N 299.761 3.547 0 40 CHAB OCc1ccc(OCc2ccc3ccccc3c2)cc1 15416424 MKJMVTZKZPMNTB-UHFFFAOYSA-N 264.324 3.911 0 40 CHAB CC(=O)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 15442402 IPXLXOSTJQDOLD-SECBINFHSA-N 286.171 3.761 0 40 CHAB CSc1n/c(=N\c2ccccc2)sn1-c1ccccc1 16952990 PYNCBSFXWCUAOP-JQIJEIRASA-N 299.424 3.888 0 40 CHAB CSc1cccc(NC(=O)NC2CCCCC2)c1 16990812 DLOPXMCTDUDFEE-UHFFFAOYSA-N 264.394 3.863 0 40 CHAB Cc1c(N)cccc1C(=O)Nc1cccc(C(F)(F)F)c1 19266681 XJNZWCXXECYIKP-UHFFFAOYSA-N 294.276 3.848 0 40 CHAB Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1N 19438760 OEIIPKGYWOHBNX-UHFFFAOYSA-N 284.403 3.732 0 40 CHAB CC(C)NC(=S)N[C@H](c1ccc(Cl)cc1)C1CC1 20623609 LAFXYPDBJFKARK-ZDUSSCGKSA-N 282.840 3.664 0 40 CHAB Cc1cccc(NC(=O)c2ccc(F)c(F)c2)c1C 21031343 KCWFRECIEFXGTD-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB C=C1c2ccccc2NC(=O)N1Cc1cccc(OC)c1 24926475 RCLGKEDJRMSTDF-UHFFFAOYSA-N 280.327 3.714 0 40 CHAB COC(=O)c1ccc(Nc2ccnc3ccccc23)cc1 26507703 GUEFUBLATXMZHZ-UHFFFAOYSA-N 278.311 3.765 0 40 CHAB CC[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1OC 27130712 PSHKEORNUWMRBK-UKRRQHHQSA-N 273.376 3.619 0 40 CHAB CCn1c(CN[C@H](C)Cc2cccs2)nc2ccccc21 38046811 SVJIRRBDILJTHG-CYBMUJFWSA-N 299.443 3.839 0 40 CHAB CC(C)C(=O)NCCc1ccc(OCc2ccccc2)cc1 40122127 GVRAUHGWMHCHMB-UHFFFAOYSA-N 297.398 3.580 0 40 CHAB CC[C@H](C)[C@@H](NC(=O)C1CCC1)c1nc2ccccc2[nH]1 40146163 GBUOVPSOJMUCFN-XHDPSFHLSA-N 285.391 3.566 0 40 CHAB O=Cc1ccc(-c2nc3ccccc3o2)cc1Cl 41127207 JVEJHDVSIHHGJN-UHFFFAOYSA-N 257.676 3.961 0 40 CHAB Cc1cc(NCc2ccccc2)ncc1Br 42784032 ZENHOQKEQUCHHL-UHFFFAOYSA-N 277.165 3.765 0 40 CHAB O=C(c1ccccc1Br)C1CCCC1 43560616 OSJIELOOCJGJFE-UHFFFAOYSA-N 253.139 3.822 0 40 CHAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)C(F)(F)F 44781907 FWEDKKDEAUFZDF-UHFFFAOYSA-N 278.233 3.822 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1cccc(Cl)c1 48412023 CPORDTWDQZODAN-HNNXBMFYSA-N 271.747 3.757 0 40 CHAB COc1ccc(NC(=O)Nc2cc(F)ccc2F)c(C)c1 51355880 PHLRYWOWQTVABE-UHFFFAOYSA-N 292.285 3.926 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1cccc(F)c1 55862645 IRMGNUYFPROYPC-CZUORRHYSA-N 273.351 3.846 0 40 CHAB OC[C@@H](c1cccc(Cl)c1Cl)N1CCCCC1 70453287 JNWZHNNYQCKSDD-LBPRGKRZSA-N 274.191 3.513 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1c[nH]c2ccccc12 72324507 MJUYAOOJOHATBR-ZHACJKMWSA-N 262.312 3.820 0 40 CHAB biogenic CCC[C@](C)(CO)NC(=O)Nc1ccccc1C(C)(C)C 75094183 MUWZJWQRWOWYAE-QGZVFWFLSA-N 292.423 3.657 0 40 CHAB C1CCCC(c2noc([C@H]3CCCCCN3)n2)CC1 83255157 SIFOPMPDQCHBDI-CYBMUJFWSA-N 263.385 3.712 0 40 CHAB in-vitro CCn1ccnc1CSCc1cc(-c2ccccc2)no1 83632343 HBSYKSXKMBFVPE-UHFFFAOYSA-N 299.399 3.991 0 40 CHAB CC(=O)n1cc(Br)c2cc(Cl)ccc21 90493623 WWJGSGYLHLDIMT-UHFFFAOYSA-N 272.529 3.717 0 40 CHAB CO[C@H](C)c1nc(CNc2ccc(F)c(F)c2)cs1 95412861 ACGIOIJXAQGJMV-MRVPVSSYSA-N 284.331 3.741 0 40 CHAB CC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1cccs1 95946433 ADJOSQANQWOIQI-CQSZACIVSA-N 288.347 3.585 0 40 CHAB Cc1nc(C)c(CN[C@H](C)c2cc(F)cc(F)c2)s1 97228393 XRVJZTPGNWGTLW-MRVPVSSYSA-N 282.359 3.889 0 40 CHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102213145 GIZUHUTZKZGUSF-OXXUSNJHSA-N 297.398 3.571 0 40 CHAB Cc1ccnc(NCc2ccc(OC(F)(F)F)cc2)c1 199720116 DXQXZIXSFRLADJ-UHFFFAOYSA-N 282.265 3.901 0 40 CHAB Cc1ccc(-n2cccc2CNCC(C)C)cc1C 223682241 FPGZYIAEWAPBEM-UHFFFAOYSA-N 256.393 3.840 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)C(C)C 225230458 GHSFOPHDBRMULR-LSDHHAIUSA-N 277.408 3.622 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(Cl)s1 245228140 GNAQFHZACMKTJG-KXUCPTDWSA-N 271.813 3.956 0 40 CHAB CCCn1cc(NCc2cnn(C3CCCC3)c2)c(C)n1 256050468 FCSAZWMGDGKMHB-UHFFFAOYSA-N 287.411 3.525 0 40 CHAB Clc1cnc(N2CCC(c3ccsc3)CC2)nc1 274963221 GWYVPQPQDWEJLB-UHFFFAOYSA-N 279.796 3.576 0 40 CHAB Fc1ccc(Br)c(CN2CCCCC2)c1 308795322 JZGVNAZCQACWOF-UHFFFAOYSA-N 272.161 3.574 0 40 CHAB C[C@@H]1CCC[C@H](OCc2nnc(-c3ccccc3)o2)C1 521393742 RJHNFFLVOQOQJV-OCCSQVGLSA-N 272.348 3.832 0 40 CHAB COc1ccc(-c2cc(=O)c3cc(C)ccc3o2)c(OC)c1 148150 WPPANZXNMMHZNB-UHFFFAOYSA-N 296.322 3.786 0 40 CHAB COc1ccc(Cc2nc(C)cc(Cl)n2)cc1Cl 186948 RGQCTLXWWDHEQV-UHFFFAOYSA-N 283.158 3.691 0 40 CHAB COc1cccc(Sc2ccccc2CN(C)C)c1 347483 ZKDJTQMXLPCOTF-UHFFFAOYSA-N 273.401 3.908 0 40 CHAB CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(Cl)c3)CC[C@H]1C2 352944 AYQHCBUMVMKAFK-QFYYESIMSA-N 291.778 3.674 0 40 CHAB CCOc1ccc(CN[C@H](C)c2ccccc2)cc1 517047 JNVVIQPMHUDYTJ-CQSZACIVSA-N 255.361 3.936 0 40 CHAB O=c1[nH]ccc2oc(-c3cccc(C(F)(F)F)c3)cc12 2531965 ICVXPLDIRPNIOG-UHFFFAOYSA-N 279.217 3.807 0 40 CHAB in-vitro O=C(Cc1ccccc1F)OCc1ccc(Cl)cc1 3237633 ZUATWTLJPDAHGB-UHFFFAOYSA-N 278.710 3.765 0 40 CHAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1Cl 3323352 KOYZXVNTQBNOLB-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB Clc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 5013040 HTNCGEDDDSEHQY-UHFFFAOYSA-N 280.718 3.598 0 40 CHAB COc1cccc(NC(=O)Nc2cn(C)c3ccccc23)c1 5265799 SYHNNSFMCBMBBN-UHFFFAOYSA-N 295.342 3.831 0 40 CHAB C[C@H]1CN(c2ccnc3cc(Cl)ccc23)C[C@@H](C)O1 6561440 KRWMDOOKRDVCKN-PHIMTYICSA-N 276.767 3.502 0 40 CHAB CCCCCNC(=O)CSCc1ccccc1C 6597198 WTNUFZDCJLFWIF-UHFFFAOYSA-N 265.422 3.535 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 7520991 QCLQLNKQZJCJPD-QMMMGPOBSA-N 274.792 3.954 0 40 CHAB CC[C@H](C)NC(=S)Nc1cccc(Br)c1 8103992 TUUBJLRLHZBHCD-QMMMGPOBSA-N 287.226 3.534 0 40 CHAB Cc1nc(CSc2nc3ccccc3[nH]2)cs1 8656799 DNUBOCUGZRGYFT-UHFFFAOYSA-N 261.375 3.620 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2O 9231977 VOXZDWNPVJITMN-ILOCAZANSA-N 272.388 3.609 0 40 CHAB biogenic,in-vitro Cc1nc2c3c(C)c(C)n(C4CCCCCC4)c3ncn2n1 9419752 GZVJMJLRVJUVBA-UHFFFAOYSA-N 297.406 3.900 0 40 CHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)cc2)c1 10443972 XWMQZQBNDMBULD-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)c1ccccc1 12556726 MNAOCFLJVMWGQP-GFCCVEGCSA-N 296.395 3.937 0 40 CHAB Cc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)n1 12747815 KDQZJPKHSFHBBZ-UHFFFAOYSA-N 293.370 3.833 0 40 CHAB Cc1cc([C@@H]2CCCN2c2nc3ccccc3s2)no1 13004131 BICDNKXJDYCFIJ-ZDUSSCGKSA-N 285.372 3.934 0 40 CHAB CCOc1ccccc1NC(=O)c1ccc(F)c(F)c1 14197448 IFKKFWNPHFLHLW-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB Fc1ccc(CCNCc2cccc3[nH]ccc23)cc1 15423474 BGEGZFUZOOPCRM-UHFFFAOYSA-N 268.335 3.639 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2[nH]cnc2c1 15591116 BJTOYCKANDRMHV-UHFFFAOYSA-N 289.697 3.608 0 40 CHAB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cn1 15617238 SACDTVOYPXSAJM-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB c1ccc(CN2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19371879 KONDMWWEHWMJEY-UHFFFAOYSA-N 291.398 3.943 0 40 CHAB C[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1cc2ccccc2o1 19458616 UXWWZKBTJWFJHM-SNVBAGLBSA-N 295.342 3.524 0 40 CHAB Cc1cccc(CNC(=O)C(C)(C)c2ccccc2)c1 26886771 VZEPLOBFKOTSKS-UHFFFAOYSA-N 267.372 3.589 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1OC(F)F 27989901 LADBSWRFBCOQOB-ZYHUDNBSSA-N 283.318 3.597 0 40 CHAB C[C@H](OC(=O)c1cccs1)C(=O)c1ccc(Cl)cc1 32603811 FAPFCTUTWKLZKK-VIFPVBQESA-N 294.759 3.830 0 40 CHAB O[C@]1(C(F)(F)F)ON=C2/C(=C\c3ccccc3)CCC[C@H]21 36533595 RHOOTQAOZKPADG-KRFXKNSESA-N 297.276 3.507 0 40 CHAB Cc1n[nH]cc1CN[C@H]1CCSc2ccc(Cl)cc21 37073470 SUNCVWMNPCBADI-ZDUSSCGKSA-N 293.823 3.698 0 40 CHAB COc1ccc([C@H]2CCN(C(=O)CC3CCCC3)C2)cc1 38566432 DEOOJIVCZIVKDJ-INIZCTEOSA-N 287.403 3.591 0 40 CHAB O=C(c1c(F)cccc1Cl)N1CCc2sccc2C1 40047022 SEZRBECAZUPYTG-UHFFFAOYSA-N 295.766 3.739 0 40 CHAB FC(F)(F)c1ccc(Oc2ccnc(Cl)n2)cc1 40448068 PDLQTTIMIIRKIK-UHFFFAOYSA-N 274.629 3.941 0 40 CHAB CC[C@H](C)c1ccc(O[C@@H]2CCCNC2)c(Cl)c1 42775041 RDXNLUDUYXGEEU-WCQYABFASA-N 267.800 3.984 0 40 CHAB Cc1ccccc1NC(=O)NCc1sccc1C 43134715 OBFYQYSMWZRLIG-UHFFFAOYSA-N 260.362 3.687 0 40 CHAB O=C(c1ccccn1)c1c(Cl)cccc1Cl 43210496 CDIUPILJBIGHGN-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB CCOC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F 47202640 RFRCILWTRIADIM-UHFFFAOYSA-N 286.171 3.901 0 40 CHAB c1csc(-c2cc(CSC3=NCCS3)no2)c1 48364929 VCZBIFOTUUUUHI-UHFFFAOYSA-N 282.415 3.739 0 40 CHAB CCc1nc(CC(=O)Nc2cccc(C)c2)sc1C 48841930 DHHBSCLIQPWFDZ-UHFFFAOYSA-N 274.389 3.504 0 40 CHAB CCc1cc(CNCc2ccc(-c3ccc(F)cc3)o2)[nH]n1 69980860 RLMSAOBONLDYLP-UHFFFAOYSA-N 299.349 3.661 0 40 CHAB CCCCS[C@@H](C)C(=O)N1CCC[C@@H]1c1cccn1C 71904763 LBOOIJFRBHWYRG-DZGCQCFKSA-N 294.464 3.610 0 40 CHAB Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccsc1 90765014 VBQAEYZCXGLQCS-VHSXEESVSA-N 264.394 3.807 0 40 CHAB CC[C@H]1CC[C@H](C)N1C(=O)CSc1ccccc1 95458850 PAVMLDKTNJEGCU-STQMWFEESA-N 263.406 3.568 0 40 CHAB O=C(O)C1=C(C(=O)c2ccc(Cl)c(F)c2)CCCC1 95634044 JCAJBJMBLKDMQQ-UHFFFAOYSA-N 282.698 3.617 0 40 CHAB C[C@H]1CCCN(c2ccc(Br)cc2F)C1 95915679 KLKNBIOPBDYNPM-VIFPVBQESA-N 272.161 3.825 0 40 CHAB Cc1ccc([C@H](NCc2cnn(C)c2)c2cccs2)cc1 97123794 CEUUJAIUNNTZLK-KRWDZBQOSA-N 297.427 3.669 0 40 CHAB Cc1cc(C)c(C2=NO[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)c(C)c1 100469730 WKLZNTYMDOPBSE-GKLJAUDBSA-N 255.361 3.761 0 40 CHAB CCN(CC)c1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100622162 KHTYTECZYNVANU-CKEIUWERSA-N 286.419 3.908 0 40 CHAB Cc1ccc(O)c(CN[C@@H](C)c2ccc3c(c2)CCCC3)n1 103341100 GPMFGOGUAMIBKO-AWEZNQCLSA-N 296.414 3.825 0 40 CHAB CC(C)CC(=O)c1ccc(Br)c(F)c1 164047627 ZWCRHGBWHNIDLO-UHFFFAOYSA-N 259.118 3.817 0 40 CHAB O=C(CCC(F)(F)F)Nc1ccc(Cl)cc1 173021441 AGRVEFBLEGGZQB-UHFFFAOYSA-N 251.635 3.621 0 40 CHAB CC1(C)C[C@@H](NC(=O)c2cccc(F)c2)c2ccccc2O1 224958596 ZURFRJNFLGNTSD-OAHLLOKOSA-N 299.345 3.858 0 40 CHAB CCc1cc(Br)cc(CC)c1NC(=O)C1CC1 226098327 QCCPPYIPSLEZMZ-UHFFFAOYSA-N 296.208 3.922 0 40 CHAB CCCCc1ccc(-c2cc[nH]c2C(=O)OC)cc1 1772715097 XHAMQKWLNIVNJX-UHFFFAOYSA-N 257.333 3.811 0 40 CHAB O=C(Nc1cccc2cccnc12)c1ccccc1F 362770 GVEFCZFPNNBIKL-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB Cc1cc(C)c(NC(=O)COc2ccccc2)c(C)c1 485259 BMEYGXOBJLCHSX-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB CC(C)Nc1nc(-c2ccncc2)nc2ccccc12 510464 GNDPDLFGPMUYFC-UHFFFAOYSA-N 264.332 3.512 0 40 CHAB CCOC(=O)c1c(C)oc2c1c(C=O)c(O)c1ccccc12 564606 UEHOMMYHGWTNEW-UHFFFAOYSA-N 298.294 3.589 0 40 CHAB Cc1ccc(C)c(NC(=O)Cn2ccc3ccccc32)c1 581696 QYNLGUHXCFNPKP-UHFFFAOYSA-N 278.355 3.897 0 40 CHAB Cc1cc2c3ccccc3n(CCCN(C)C)c2c(C)n1 1280602 LHEQMTCMJWEKGO-UHFFFAOYSA-N 281.403 3.758 0 40 CHAB O=C(Nc1ccc2ccccc2c1)[C@H]1C[C@@H]2C=C[C@H]1C2 1711897 NRTDLBDAGJPCIU-PVUWLOKVSA-N 263.340 3.991 0 40 CHAB Cc1onc(-c2ccccc2)c1[C@](C)(O)c1ccccc1 2031861 QNOHFTLRXDVUKD-GOSISDBHSA-N 279.339 3.906 0 40 CHAB Cc1cc(C)cc(C(=O)c2ccc(CN3CC=CC3)cc2)c1 2514904 PKYFFHMMDMWCJW-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 3607783 IFMXPOLSQLVNFP-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1 5458222 ZZWDMMTXQILHQF-LBPRGKRZSA-N 257.308 3.625 0 40 CHAB CCCCN1C(=O)S/C(=C/c2cccs2)C1=O 5552438 WBTPWMJNNXEDAE-CSKARUKUSA-N 267.375 3.585 0 40 CHAB Cc1cc(C(=O)N[C@@H]2CCSc3ccccc32)c(C)o1 6649146 DIZBQSWUBOSQID-CQSZACIVSA-N 287.384 3.863 0 40 CHAB CCCOC(=O)c1ccccc1NC(=O)c1ccccc1 6757392 BCCQJAFRUDFAEC-UHFFFAOYSA-N 283.327 3.506 0 40 CHAB Cc1ccc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)cc1 7503409 PQXZHKROJNDVTQ-UVTDQMKNSA-N 296.757 3.968 0 40 CHAB CCc1cccc(NC(=O)CNc2ccc(C)c(F)c2)c1 7973080 YWRXCWMEAFMGLL-UHFFFAOYSA-N 286.350 3.747 0 40 CHAB Cn1cc(C(=O)Nc2ccc(F)c(F)c2)c2ccccc21 8077424 OQSGPALEZNAWGJ-UHFFFAOYSA-N 286.281 3.709 0 40 CHAB CCOc1cc(C=O)ccc1OCCc1ccccc1 8727042 MNINXUWZMIVAMY-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB CCOCc1ccc(C(=O)Nc2ccc(C)c(C)c2)o1 8924751 SXQRUUVDEZDOGQ-UHFFFAOYSA-N 273.332 3.685 0 40 CHAB CCC(=O)N1c2c(OC)cccc2C(C)=CC1(C)C 10157727 QXLAKAYMJNKMGR-UHFFFAOYSA-N 259.349 3.634 0 40 CHAB CCn1cncc1CNC1(c2ccccc2F)CCCC1 12147594 WBJOJYHBZKZQBV-UHFFFAOYSA-N 287.382 3.601 0 40 CHAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nccc3N2)s1 12357591 XVDUXCIJVMKPGD-WCBMZHEXSA-N 287.310 3.913 0 40 CHAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(F)c(F)c1 12748251 ZQHAFXGZXDWILL-QMMMGPOBSA-N 297.251 3.734 0 40 CHAB Cc1ccnc(NC(=S)Nc2cccc(Cl)c2)c1 13223164 KWWXZCPLQRGDRF-UHFFFAOYSA-N 277.780 3.852 0 40 CHAB O=C(CCSCc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2 13687960 YNBNIRZUMMKNMA-XHSDSOJGSA-N 289.444 3.615 0 40 CHAB Cc1c(C=O)c2ccccc2n1Cc1ccc(C(=O)O)cc1 17023148 QULRMWKUMOKETM-UHFFFAOYSA-N 293.322 3.509 0 40 CHAB O=c1[nH]c(/C=C/c2ccccc2Cl)nc2ccccc12 17147711 GVTQWTBKPKRCFL-MDZDMXLPSA-N 282.730 3.747 0 40 CHAB CO[C@@H]1C2=C(CCCC2)C(=O)N1[C@H](C)CCc1ccccc1 20149867 PPIQTESFORMGPF-AUUYWEPGSA-N 299.414 3.693 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C)c1 20489642 LYIDSPDQDRJUBZ-INIZCTEOSA-N 287.334 3.930 0 40 CHAB CC(=O)c1ccc(NC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 20569807 SWCYIFXDLIUSEE-RYUDHWBXSA-N 274.364 3.684 0 40 CHAB CN(C(=O)/C=C/c1ccco1)[C@@H]1CCCc2ccccc21 23151769 BJTDXRSTQUMCGO-FMQWLBJXSA-N 281.355 3.829 0 40 CHAB CC(C)(C)c1cc(NC(=O)c2cc(F)ccc2F)no1 27925286 HXFCIBZADQUYRK-UHFFFAOYSA-N 280.274 3.503 0 40 CHAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)CCCC(C)C)s1 32865932 DUTWVQJCZUNHDL-NSHDSACASA-N 296.436 3.651 0 40 CHAB CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=O 34770573 IAILTMQZTBPZMQ-UHFFFAOYSA-N 262.740 3.521 0 40 CHAB in-vitro C[C@H](O)c1ccc(NC(=O)c2ccccc2Cl)cc1 35646256 RMWWKHOFMLXOFN-JTQLQIEISA-N 275.735 3.646 0 40 CHAB O[C@H](CNCc1ccccc1)c1ccc2ccccc2c1 37873777 CTNYAHYHHWIJAG-LJQANCHMSA-N 277.367 3.663 0 40 CHAB CC(C)(C)CC(=O)N[C@@H](c1ccccc1)C(F)(F)F 40145425 HSOUMNLKFJIKCU-LBPRGKRZSA-N 273.298 3.842 0 40 CHAB CC(C)(C)c1ccc(NC(=O)c2cscn2)cc1 41507005 GZFJQSGKGRBSGP-UHFFFAOYSA-N 260.362 3.693 0 40 CHAB O=C(O)c1ncc(C(F)(F)F)cc1-c1ccccc1F 47205268 MFNUXCDBZHLWEA-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccco1 48353721 QBBHXCDOBHEZAE-GFCCVEGCSA-N 273.332 3.558 0 40 CHAB Cn1ccnc1CSc1ncc(-c2ccc(F)cc2)o1 48873024 CQDDJWZYLWCVAL-UHFFFAOYSA-N 289.335 3.507 0 40 CHAB Cc1ccccc1NC(=O)Cc1cccc(Cl)c1 67786084 PSBRZMHVYQQLCX-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB CCCN1CCCC[C@H]1c1cccnc1NC1CC1 72213737 WXOVPOGHKWDDNV-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB c1cnc(SC2CCCCC2)c([C@H]2CCCN2)c1 72217284 BPHGKWNKMISGQG-CQSZACIVSA-N 262.422 3.931 0 40 CHAB Cc1cc(CNCc2cccnc2)c2[nH]c(C)c(C)c2c1 72274487 XJRIWPNIXQUFBL-UHFFFAOYSA-N 279.387 3.778 0 40 CHAB CC(C)c1cnc(COc2ccc(Br)nc2)o1 84630751 HKXSLUGNQWZWQM-UHFFFAOYSA-N 297.152 3.535 0 40 CHAB Fc1cnc(Cl)nc1Oc1ccccc1Cl 85754763 ATXITIHNRMEDSH-UHFFFAOYSA-N 259.067 3.715 0 40 CHAB Cc1nc(C)c(CNC(=O)Nc2ccc(C)c(F)c2)s1 86071748 UWGJCBTXDGTEIF-UHFFFAOYSA-N 293.367 3.529 0 40 CHAB Cc1nc(CCN[C@@H](c2ccc(F)cn2)C(C)C)cs1 95466840 FHBRVPAJVUWYQZ-OAHLLOKOSA-N 293.411 3.515 0 40 CHAB COc1ccc(C(=O)c2cccc(Cl)c2C)cc1OC 95916338 OZSGIEXAUGKDDX-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB COC(=O)c1ccc(/C=C\c2ccc(C(C)=O)cc2)cc1 96029403 CWSWJDRBVQPDCO-ARJAWSKDSA-N 280.323 3.846 0 40 CHAB CCc1ccc(C(=O)Nc2cncc(Cl)c2Cl)o1 97046997 OWUVEVIBQWENIK-UHFFFAOYSA-N 285.130 3.796 0 40 CHAB CN1CCC[C@H]1c1nc(-c2cccc3ccccc23)no1 97102695 GVOOZCDCFWAVJA-HNNXBMFYSA-N 279.343 3.657 0 40 CHAB CC1(C)O[C@H](c2ccccc2)[C@@H]2C[C@@H]1CC[C@@]2(C)O 100099091 LEVCRGWPKKRIOU-LJIGWXMPSA-N 260.377 3.704 0 40 CHAB biogenic O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCc1ccc(Cl)cc1 102362265 FUSXZSSVLQIVHQ-SOUVJXGZSA-N 291.822 3.825 0 40 CHAB CC1=CC=C/C(=C2\Nc3cc(F)ccc3N2C2CC2)C1=N 102540846 SNGUDDXPGCWKNT-KNQBNYQZSA-N 281.334 3.967 0 40 CHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCCc2cc(F)c(F)cc21 105571378 NRMIKHQFCZAHQG-GVXVVHGQSA-N 291.341 3.680 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1[C@H](O)C2 118934781 YOGRGJCUTNCLJZ-BAMGFKBFSA-N 292.463 3.751 0 40 CHAB C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)c(C[S@](C)=O)c1 215556448 UEOISBBFTDMTSI-RHXQLXPWSA-N 285.840 3.819 0 40 CHAB CCCN(CCCC(=O)O)c1ccc(Cl)cc1C 224992156 QWRRIRHMNXTTQK-UHFFFAOYSA-N 269.772 3.730 0 40 CHAB CC(C)(C)C(=O)Nc1cc(C(=O)O)cc(Cl)c1Cl 226354362 DOKQQKPKRZZFQV-UHFFFAOYSA-N 290.146 3.676 0 40 CHAB Cc1cc(-c2cccc(O)c2)ncc1Br 536954449 QCOVHMQSGBVPEM-UHFFFAOYSA-N 264.122 3.525 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1Cl 791620 OYRBJBCHAJRQCM-UHFFFAOYSA-N 298.773 3.680 0 40 CHAB COc1ccc2nc([C@H]3CCCC[C@@H]3C(=O)O)cc(C)c2c1 1595925 KIIOLKMSTZNPFU-KBPBESRZSA-N 299.370 3.910 0 40 CHAB O=C(c1ccc(Cl)cc1)c1cccc(CN2CCC2)c1 2515118 HYHADGBZJUSQTM-UHFFFAOYSA-N 285.774 3.777 0 40 CHAB CCCCCOC(=O)Nc1[nH]c(C)c(C(=O)OCC)c1C 2685904 DGAOSWTYJKVPJC-UHFFFAOYSA-N 296.367 3.547 0 40 CHAB O=C1N[C@H](c2cccc3ccccc23)Oc2ccccc21 5001177 YGXBVMISFGQDTK-SFHVURJKSA-N 275.307 3.661 0 40 CHAB CCC[C@@H]1[C@H](CC)C=C(CC)[C@H](O)[C@@]1(CC)CO 5707151 YFEVEUYLZHKMAO-OJLVUWQFSA-N 254.414 3.529 0 40 CHAB CCCCCNC(=O)[C@H](C)SCc1ccccc1 6597249 FVFWMNSNBBDNFQ-ZDUSSCGKSA-N 265.422 3.615 0 40 CHAB C[C@@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)NC1CC1 6652535 SYHNVYAMSBTBMW-CYBMUJFWSA-N 297.354 3.525 0 40 CHAB Cc1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n1 6653408 WOVRJPJSYGDERL-UHFFFAOYSA-N 279.343 3.740 0 40 CHAB Cc1ccc(F)cc1NC(=O)CCC(=O)c1ccccc1 8079193 ZEPVKEQKHNECCH-UHFFFAOYSA-N 285.318 3.736 0 40 CHAB C[C@@H](CNC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 8168595 QMIIQSXKPMRKGH-TZIYXEQSSA-N 283.346 3.759 0 40 CHAB S=C(NCCc1ccccc1)c1ccc(Cl)cc1 9188099 SXGPKVRNTZVJSQ-UHFFFAOYSA-N 275.804 3.848 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1cccc2ncccc12 9584630 WNKSGBCIEMNGKD-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1F 11204593 OHRQUFDFWOOPLA-INIZCTEOSA-N 287.309 3.846 0 40 CHAB O=C(NCc1ccc(Cl)c(Cl)c1)NC1CCCC1 13328266 UDMUCRXUJJTWKR-UHFFFAOYSA-N 287.190 3.735 0 40 CHAB Clc1cccc(-n2ncc3nc4ccccc4nc32)c1 16545559 OVABNKSNINHGIE-UHFFFAOYSA-N 280.718 3.622 0 40 CHAB N[C@@H](c1ccc(-c2ccccc2)cc1)C(F)(F)F 19968082 CPLKUCUJUJTRNL-ZDUSSCGKSA-N 251.251 3.916 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCCC(C)(C)C1 20104505 HKQYUEZNXGKVNE-INIZCTEOSA-N 289.419 3.801 0 40 CHAB COc1cc(-c2cc(=O)c3c(C)cc(C)cc3o2)ccc1O 20272613 RIWGZUNYCNWLLF-UHFFFAOYSA-N 296.322 3.791 0 40 CHAB O=C(CCc1cccnc1)Nc1cccc2ccccc12 26939932 CTGRINWOYMSDLS-UHFFFAOYSA-N 276.339 3.806 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1ccc2nc(C)c(C)nc2c1 36139395 KSWVEROMHHQTCW-HNNXBMFYSA-N 297.402 3.651 0 40 CHAB CCN(CC)C(=O)c1sc(-c2ccc(C)o2)nc1C 36397588 HPXDUZUNNYSGLQ-UHFFFAOYSA-N 278.377 3.502 0 40 CHAB O=C(Nc1cccc(Cl)c1F)N1CCCCCC1 43450733 ZVNVHYWANULRFV-UHFFFAOYSA-N 270.735 3.887 0 40 CHAB Cc1n[nH]cc1NC(=O)c1sccc1-c1ccccc1 49476533 FIBKPJXSZISLTR-UHFFFAOYSA-N 283.356 3.699 0 40 CHAB Cc1ccc(-c2ccc(C(N)=S)o2)cc1Cl 49839151 YVKLQIBYUJALNP-UHFFFAOYSA-N 251.738 3.543 0 40 CHAB Cc1ccc(F)cc1[C@H](O)c1ccc(Br)cc1 55200927 SYPOUSPQJSIXEW-CQSZACIVSA-N 295.151 3.978 0 40 CHAB COc1ccc(Cl)cc1C(=O)Nc1ccnc(Cl)c1 58283455 IPDKHPUYEJWQLH-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB O=C(Nc1ccc(-n2cccc2)c(Cl)c1)c1cccnc1 61718780 LHYSOVFGDSJLMV-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB O=C(O)CCCNCc1ccc(-c2ccccc2Cl)o1 62718050 UVOBKTLQKPQFRS-UHFFFAOYSA-N 293.750 3.554 0 40 CHAB CCc1cc(Cl)c(OC)c(C(=O)N2CCC(C)CC2)c1 72206576 HJPGQYJDKREXEW-UHFFFAOYSA-N 295.810 3.783 0 40 CHAB Cc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72211234 HTWPDSSQQWXQMM-KRWDZBQOSA-N 296.370 3.864 0 40 CHAB CCn1nc(C)c(NC(=O)Nc2cccc3[nH]ccc23)c1C 76070275 TYONUEGLAIMMFA-UHFFFAOYSA-N 297.362 3.645 0 40 CHAB O=C(Nc1ccccc1Oc1ccccc1)c1cnco1 82336865 HGKPLHLDLNFPKG-UHFFFAOYSA-N 280.283 3.719 0 40 CHAB Cc1noc([C@H](C)S[C@@H](C)c2nnc(CC(C)C)o2)n1 89718572 BBKQUYRKIQGJKW-IUCAKERBSA-N 296.396 3.515 0 40 CHAB COc1cc(C(=O)Cc2cccs2)ccc1Cl 94007526 LBTPEWSBAKFNEM-UHFFFAOYSA-N 266.749 3.836 0 40 CHAB CCCCOc1ccc(C(=O)C(F)(F)F)c(C)c1 95740038 RXUHPXYDPOXFPX-UHFFFAOYSA-N 260.255 3.919 0 40 CHAB COC(=O)[C@H]1CCCC[C@]1(C)NCc1cccc(Cl)c1 95976354 FYPFAQHQWKPDAJ-ZBFHGGJFSA-N 295.810 3.552 0 40 CHAB COc1cccc(CNc2cc(C(C)(C)C)on2)c1OC 95990024 AFSUNJHGSAZNPZ-UHFFFAOYSA-N 290.363 3.601 0 40 CHAB Cc1ccc([C@@H]2OCCN(Cc3ccccc3)[C@H]2C)cc1 140727213 MRJDEFWKIOSCAG-QFBILLFUSA-N 281.399 3.957 0 40 CHAB COc1ccc2cccnc2c1C(F)(F)C(F)(F)F 169804798 ZYYNTZXKIQRMSP-UHFFFAOYSA-N 277.192 3.898 0 40 CHAB O=C(CCC(F)(F)F)Nc1ccc2sncc2c1 191342650 JOJZVNCFXAXCLF-UHFFFAOYSA-N 274.267 3.577 0 40 CHAB C[C@H]1CC(C)(C)N([C@H](C)C(=O)O)c2ccc(Cl)cc21 223191519 HQKPWHIZXTUCIB-VHSXEESVSA-N 281.783 3.905 0 40 CHAB S=C(Nc1ccc(Cl)cn1)NC1CCCCCC1 224039981 YQCXUHKFUGFTSH-UHFFFAOYSA-N 283.828 3.744 0 40 CHAB CC[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225320308 CYSXCZWVKDZJLX-SECBINFHSA-N 274.191 3.841 0 40 CHAB COc1ccc(C(=O)c2c(C)ccc3ccccc23)cc1N 226294438 MHIZGBQTUOBMJG-UHFFFAOYSA-N 291.350 3.970 0 40 CHAB O=C(c1cccc(OCc2ccccc2)c1)C(F)F 390733174 ZBUQWFBUBZFJCD-UHFFFAOYSA-N 262.255 3.713 0 40 CHAB CSc1ccccc1C(=O)COc1ccccc1 575243046 OKKCXZLYOBUWQE-UHFFFAOYSA-N 258.342 3.670 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1ccc(-c2ccccc2)cc1 575357523 IUQNOQXSCMWXBU-UHFFFAOYSA-N 282.339 3.878 0 40 CHAB Fc1ccc(-c2cncc(Br)c2)c(F)c1 585672914 PBKSWRFMJYAJIO-UHFFFAOYSA-N 270.076 3.789 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CC[C@H](c2ccsc2)C1 675008366 UMVHIOZDGFNFFR-ZDUSSCGKSA-N 296.395 3.859 0 40 CHAB O=C(N[C@@H]1C[C]2CCC1CC2)[C@@H]1CCCc2ccccc21 1560410016 MTNOUPZVURTLEW-QZTJIDSGSA-N 282.407 3.760 0 40 CHAB O=c1c2ccccc2ncn1-c1ccc(Cl)c(Cl)c1 342730 AADCKMNBUAAAFK-UHFFFAOYSA-N 291.137 3.693 0 40 CHAB aggregator CN(C)CCc1ccccc1Sc1ccccc1 347484 RAHQYFXENSUGDT-UHFFFAOYSA-N 257.402 3.942 0 40 CHAB CC(C)CC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 377186 DZJXHIGVKSOLSZ-UHFFFAOYSA-N 293.370 3.986 0 40 CHAB Cc1c(C(=O)NC(C)C)sc2nc(-c3ccccc3)cn12 429795 LBLGCJSMFWUNAA-UHFFFAOYSA-N 299.399 3.509 0 40 CHAB COc1cc(C)c(/C=C2/C(=O)N(C)c3ccccc32)cc1C 575042 BIYLAVQOIZKIGJ-LFIBNONCSA-N 293.366 3.829 0 40 CHAB O[C@H]1Cc2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1 1695668 QTBPVJOHAFKPAU-GJZGRUSLSA-N 293.288 3.776 0 40 CHAB CCCCNC1C2CC3CC1CC(C2)C3NCCCC 2896525 CBRAHBFSPUKVNZ-UHFFFAOYSA-N 278.484 3.569 0 40 CHAB O=C(Nc1cc(F)ccc1F)c1cc2ccccc2o1 3360376 MKTLDIILLGACEB-UHFFFAOYSA-N 273.238 3.963 0 40 CHAB CCOc1ccc(/C=N/c2cccc(C)c2)cc1C(=O)O 6963938 SGKONOBTMFWZDP-WOJGMQOQSA-N 283.327 3.843 0 40 CHAB Cc1ccc(Nc2nnc(S)s2)cc1Cl 7718460 HCXHURYLLKFBLZ-UHFFFAOYSA-N 257.771 3.532 0 40 CHAB Cc1cc(Cl)ccc1N[C@H](C)C(=O)NC1CCCC1 8038364 SQTMSOPJTBDJLA-LLVKDONJSA-N 280.799 3.508 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1C=CCC1 8137223 FELHPAXYAJDCLF-LLVKDONJSA-N 279.767 3.952 0 40 CHAB O=C(c1cc(Cl)ccc1F)N1CCc2sccc2C1 12216318 JTHUWDMMMGHLPJ-UHFFFAOYSA-N 295.766 3.739 0 40 CHAB CC(C)(CC(=O)O)CC(=O)Nc1cccc2ccccc12 12853686 IOCXFZRRTOMUTE-UHFFFAOYSA-N 285.343 3.669 0 40 CHAB CCCc1cc2c(CCC)cc(=O)oc2c(C(C)=O)c1O 13725869 QVVBAVATGKUBBA-UHFFFAOYSA-N 288.343 3.606 0 40 CHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1Cl 14124271 PSKJEOLWQJWMPC-LLVKDONJSA-N 292.766 3.593 0 40 CHAB CC(C)(C)N1CCO[C@@H](c2cccc(Cl)c2)C1 14982324 XNEVATPUJAWEMS-CYBMUJFWSA-N 253.773 3.512 0 40 CHAB O=C(O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 15022111 PUCCNHPECQWLHX-UHFFFAOYSA-N 272.691 3.582 0 40 CHAB CCc1ccc(NC(=O)/C=C\c2ccc(C)o2)cc1 16989498 BQQXTKWLKWFKSV-KHPPLWFESA-N 255.317 3.802 0 40 CHAB CC(C)(O)[C@]1(C)c2ccccc2CCN1Cc1ccccc1 19848037 UOGRJJMJWDCFCP-FQEVSTJZSA-N 295.426 3.731 0 40 CHAB O=C1N=N[C@H](c2ccc(F)c(F)c2)c2ccccc21 19943897 SRBSUHOLLFLDGD-CYBMUJFWSA-N 258.227 3.660 0 40 CHAB Cc1ccc(OC(C)(C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 20367907 PBTKMRKQBDCHML-HUUCEWRRSA-N 289.419 3.657 0 40 CHAB CC(C)C[C@@H](NC(=O)COc1ccccc1)c1ccccc1 20495776 AHCZBIMBMGQNSA-GOSISDBHSA-N 297.398 3.969 0 40 CHAB Cc1cc(C)cc(-n2c(S)nnc2-c2ccccc2)c1 20590641 MXEDRCKKHIMQEC-UHFFFAOYSA-N 281.384 3.840 0 40 CHAB S=c1[nH]cc(-c2ccc(Br)cc2)o1 20849597 LGZAFDFORIFNJX-UHFFFAOYSA-N 256.124 3.767 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1 29810249 AESHATUBWBRQTE-UHFFFAOYSA-N 295.386 3.633 0 40 CHAB Cc1cc2cc(NC(=O)CCc3ccco3)ccc2[nH]1 32818549 DNKIUMQCGWOAHO-UHFFFAOYSA-N 268.316 3.641 0 40 CHAB O=C(N[C@H]1CCSc2c(F)cccc21)[C@H]1CC=CCC1 32837309 GZSIQZPAOXBNDY-FZMZJTMJSA-N 291.391 3.835 0 40 CHAB CCC(CC)(C1=N[C@H](C(C)C)CO1)C1=N[C@H](C(C)C)CO1 33619913 PIJFQTUSLZLNOP-KBPBESRZSA-N 294.439 3.699 0 40 CHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccs1 40107197 WDNCKDBDQFBFRK-LLVKDONJSA-N 293.819 3.691 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)o1 42009988 OEIOXKCLFOCCRQ-CQSZACIVSA-N 255.317 3.565 0 40 CHAB Cc1cccc(C(=O)c2cccc(C3OCCO3)c2)c1C 43212548 CGFCAFJFPOOUJP-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB CC(C)Oc1ccccc1/C=N/Nc1ccccc1 43776140 GNUSRHPPDOXTAP-SFQUDFHCSA-N 254.333 3.920 0 40 CHAB CN(C)c1ccc(N=Nc2cccc(C(=O)O)c2)cc1 44076014 JAMPLPMVLCTBSB-UHFFFAOYSA-N 269.304 3.866 0 40 CHAB Cc1ccc(C)c(CNc2cccc3[nH]ncc23)c1 49670294 RTXQVSWEVOFACC-UHFFFAOYSA-N 251.333 3.792 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(F)cc1Cl 53777058 YOKCILBKZAMBFO-OAHLLOKOSA-N 289.737 3.896 0 40 CHAB Cc1ccccc1[C@@H](C)NCc1nc2ccccc2n1C 66969961 LVDMCGZZABSJOS-CQSZACIVSA-N 279.387 3.733 0 40 CHAB O=C(Nc1ccc(Cl)cn1)[C@H]1C[C@@H]1c1ccc(F)cc1 67184023 OKFNABZRBMKEPQ-OLZOCXBDSA-N 290.725 3.616 0 40 CHAB Cc1cc(Cl)c2nc(-c3ccc(N)cc3)[nH]c2c1 73633929 AIWZVPPTFFCXHF-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB CCOc1ccc(CC(=O)NCC2(CC(C)C)CC2)cc1 79093552 RXAYTVDFKWTBJU-UHFFFAOYSA-N 289.419 3.570 0 40 CHAB O=C(NC(C1CC1)C1CC1)c1ccc(N2CCCCC2)cc1 81827022 DICMOAGPIAPOHO-UHFFFAOYSA-N 298.430 3.595 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)c1ccnc2ccccc12 83313972 FBCSDUOFOFRKPL-UHFFFAOYSA-N 287.240 3.883 0 40 CHAB C[C@H](CNC(=O)[C@H]1C[C@H]1C)c1c(Cl)cccc1Cl 84686719 BSUAPJCFMNZSGE-BBBLOLIVSA-N 286.202 3.869 0 40 CHAB Cc1cccc([C@H](C)NCCc2nc(C(C)C)no2)c1C 89578978 CCVKFXWFQBTAQZ-AWEZNQCLSA-N 287.407 3.703 0 40 CHAB CC(=O)Nc1ccccc1NCc1ccccc1C 95997246 ZHRZWTKMSWPKIP-UHFFFAOYSA-N 254.333 3.566 0 40 CHAB CC(C)Sc1ccc(CSCc2nncn2C)cc1 96004450 ZUYZEILLBRPVKZ-UHFFFAOYSA-N 293.461 3.749 0 40 CHAB CCOC(=O)CSc1cc(C)c2cc(C)ccc2n1 98087182 LGHQQECNRJRTRH-UHFFFAOYSA-N 275.373 3.507 0 40 CHAB CC(C)(C)c1n[nH]c2cc(Br)ccc12 146027211 YTVUMLSFBWZZLI-UHFFFAOYSA-N 253.143 3.623 0 40 CHAB O=C(O)[C@@H](Cc1ccccc1)Oc1ccc2ccccc2c1 146352124 GVMPFDAQXKKAHY-GOSISDBHSA-N 292.334 3.915 0 40 CHAB CCCCn1c(C)c(CNC)c2cc(OCC)ccc21 223759062 KDHUMRULYZRJAB-UHFFFAOYSA-N 274.408 3.868 0 40 CHAB Cc1ccc(CC(=O)N(C)Cc2ccccc2)c(C)c1 224066564 FHDICAOCHJXUEZ-UHFFFAOYSA-N 267.372 3.505 0 40 CHAB CCc1ccccc1C[C@H](Oc1ccc(C)cc1)C(=O)O 225039491 UTCIRWLLAPZQTF-KRWDZBQOSA-N 284.355 3.632 0 40 CHAB CCN(Cc1ccccc1)C(=O)Cc1ccc(C)cc1C 225799085 LMFACYGEGHFWOR-UHFFFAOYSA-N 281.399 3.895 0 40 CHAB C[C@]12CC[C@@H]3C(=CC=C4C[C@H](O)CC[C@]43C)[C@H]1CCC2=O 263606035 QKVSSSWYCZWEQM-DZLVSBGCSA-N 286.415 3.799 0 40 CHAB Cc1ccccc1C(=O)Oc1ccc(-c2ccccc2)nn1 408529742 OEYMESFRTQCFLF-UHFFFAOYSA-N 290.322 3.671 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CCC(=C2CCC2)CC1 1775985908 IBCYAMDRGULRSX-UHFFFAOYSA-N 280.371 3.884 0 40 CHAB CN(Cc1ccccc1)C(=O)c1ccccc1Cl 37708 SFRGSZYPRPCWGP-UHFFFAOYSA-N 259.736 3.612 0 40 CHAB Cc1csc(NC(=O)c2ccc3ccccc3c2)n1 253245 ZQIXCLQAEXPHIZ-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB COc1ccc2c(c1)C(=O)C[C@H](c1ccc(F)cc1)O2 388789 VARCHUJAXLHBPL-MRXNPFEDSA-N 272.275 3.541 0 40 CHAB biogenic O=C(OCc1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 401202 MGUNSPBYVYRPIJ-QGZVFWFLSA-N 282.339 3.576 0 40 CHAB O=C(Nc1ccccc1Br)C1CCCC1 1006291 UWSKTJKLUHNDIZ-UHFFFAOYSA-N 268.154 3.578 0 40 CHAB C[C@H]1CCc2nc(NC(=O)c3ccccc3)sc2C1 1512514 JNCDGDYAQHIVOU-JTQLQIEISA-N 272.373 3.520 0 40 CHAB COc1cccc(CCC(=O)c2cccc(F)c2)c1 2516509 BVSBEDFXLYMBEM-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB Cn1nccc1C(=O)N(C1CCCCC1)C1CCCCC1 2766400 GRWGBABUYDPBCJ-UHFFFAOYSA-N 289.423 3.528 0 40 CHAB CC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3221992 GWKUURPZFBLWAP-UHFFFAOYSA-N 293.417 3.580 0 40 CHAB CC(=O)c1sc(N[C@H](C)c2ccccc2)nc1C 3346070 IOUCLFJOKCPWIG-SECBINFHSA-N 260.362 3.827 0 40 CHAB CCC1=C(c2ccc(OC)cc2)CC[C@H](C(=O)O)[C@@H]1C 4626624 VJKVHUZOVAWKEB-ABAIWWIYSA-N 274.360 3.990 0 40 CHAB biogenic,in-vitro CC(C)CSc1nnc(NC(=O)c2ccccc2)s1 4723901 HDBNEBWVXMQHJL-UHFFFAOYSA-N 293.417 3.539 0 40 CHAB CC(C)(C)[C@@H](O)[C@H](Oc1ccc(Cl)cc1)n1ccnc1 5114323 JRGUJQIBKGUMHR-KBPBESRZSA-N 294.782 3.521 0 40 CHAB Cc1cc(=O)[nH]c(SCc2ccc(C(C)(C)C)cc2)n1 5181931 OTFNJEVLLIIKKI-UHFFFAOYSA-N 288.416 3.668 0 40 CHAB Fc1ccccc1NC(=S)NC1CCCCCC1 7572166 QDCKGAIZOWURTH-UHFFFAOYSA-N 266.385 3.835 0 40 CHAB C[C@H](NC(=O)c1ccncc1)c1ccc2ccccc2c1 9366725 ABANJZFMBJXNJT-ZDUSSCGKSA-N 276.339 3.726 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCCCCC1 30847994 HBDYKFCZHVRLBN-INIZCTEOSA-N 289.419 3.863 0 40 CHAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(C)c2C)c1 30860368 USLLTXRGVQGSRD-CQSZACIVSA-N 299.370 3.718 0 40 CHAB O=C(Cc1cccs1)NCC1(c2ccccc2)CCC1 32904544 BJHMRGXVMNTDKT-UHFFFAOYSA-N 285.412 3.529 0 40 CHAB COc1cccc(OC)c1C(=O)c1ccc(Cl)cc1 37357931 UCBGXMDCDSUSGQ-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB C[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccc(Cl)s1 40074604 GFHZMNAHFBXZJL-NXEZZACHSA-N 287.812 3.538 0 40 CHAB Cc1ccc(C)c(NC(=O)NCCc2ccccc2F)c1 40095016 ZLRBBOONTTVOKG-UHFFFAOYSA-N 286.350 3.807 0 40 CHAB Cc1ccc(SCCNC(=O)C2CCCC2)cc1C 40160015 KQYMLUJXXYUJGU-UHFFFAOYSA-N 277.433 3.702 0 40 CHAB O=C(Nc1ccc2[nH]ccc2c1)c1c[nH]c2ccccc12 40809830 CBPSWDLZZNFVNM-UHFFFAOYSA-N 275.311 3.902 0 40 CHAB biogenic COc1ccc(Cl)cc1C(=O)CCCCCC(=O)O 43214170 MGHHMPQMWDABAM-UHFFFAOYSA-N 284.739 3.566 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 49497016 DYXUCFBSRUIVBS-KWQFWETISA-N 272.373 3.768 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1CSc1ccccn1 57810730 OJNXKUHQYKXBTM-LBPRGKRZSA-N 294.420 3.573 0 40 CHAB CC[C@H](NC(=O)c1sccc1C)c1ccc(OC)cc1 69712235 QQJHPJUMYJUOFA-AWEZNQCLSA-N 289.400 3.946 0 40 CHAB O=C(Cn1ccc2ccccc21)Nc1cccc2[nH]ccc12 70666621 YJDRFEYHMPNHME-UHFFFAOYSA-N 289.338 3.761 0 40 CHAB biogenic CC1(C)CCCN1C(=O)CSCc1ccc(Cl)cc1 72242410 HQEBYLVXJGDJTE-UHFFFAOYSA-N 297.851 3.974 0 40 CHAB Cc1ccc(-c2cc(CN3CCC[C@@H]3C)on2)cc1 76115183 AJXHCLZBFQZLFZ-ZDUSSCGKSA-N 256.349 3.634 0 40 CHAB Clc1cnccc1NCc1ccc(Cn2ccnc2)cc1 89787919 YPPOQOPFVPYQRV-UHFFFAOYSA-N 298.777 3.592 0 40 CHAB Cc1cc(F)cc(C(=O)C(F)(F)C(F)(F)F)c1 95916991 BHFSYDZKKFJNFC-UHFFFAOYSA-N 256.145 3.514 0 40 CHAB Cc1cnc(CSCc2ncccc2C)s1 95991029 CEUOYAWJEWIICD-UHFFFAOYSA-N 250.392 3.588 0 40 CHAB CCC(CNCc1ccccc1)CNCc1ccccc1 96319133 LBPUDTOJZROMLF-UHFFFAOYSA-N 282.431 3.592 0 40 CHAB Cc1cs/c(=N/[C@]2(C)[C@H]3CC[C@@H](C3)C2(C)C)o1 100697610 HGVTVYHFXJHDNH-SKRHQACASA-N 251.395 3.765 0 40 CHAB CC1(C)C(=O)[C@]2(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]1C2 100769248 MOTMTBSQXPJLGU-HWPZZCPQSA-N 291.778 3.674 0 40 CHAB Cc1cccc(C(=O)N2CC[C@H](c3ccsc3)C2)c1 670739977 AVUCVKKHCQXPLO-AWEZNQCLSA-N 271.385 3.686 0 40 CHAB Cc1ccccc1C(=O)NCC1(c2ccsc2)CC1 1888919673 SAXJUYYDKRZDTP-UHFFFAOYSA-N 271.385 3.518 0 40 CHAB Clc1cnccc1OCC1CCN(C2CCCC2)CC1 1889081503 KKKJNOLPZWIHFI-UHFFFAOYSA-N 294.826 3.768 0 40 CHAB c1ccc(N2N=N[C@@H]3CCC[C@]32N2CCCCC2)cc1 1720274 ZWPIBSWGWNALCM-HZPDHXFCSA-N 270.380 3.609 0 40 CHAB CCc1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 3611756 OMBNXKGLMZFQQO-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccc(C)c(N)c2)cc1 57340461 BXXPVENRECAGGM-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Cc1ccc(CN(C)Cc2nc(-c3ccco3)no2)c(C)c1 24814410 GMGZNMLWYQNNEY-UHFFFAOYSA-N 297.358 3.578 0 40 CHAB CC(=O)c1ccc(NC(=O)Nc2cccc(F)c2C)cc1 43322943 IXXGHMSIGDQFCO-UHFFFAOYSA-N 286.306 3.981 0 40 CHAB Cc1cccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1 12618284 WIWFWCQXPXMAGB-INIZCTEOSA-N 283.396 3.959 0 40 CHAB Cc1sc2nc(CN3CCCC3)nc(Cl)c2c1C 3335147 OQXIHVZAXNRASY-UHFFFAOYSA-N 281.812 3.557 0 40 CHAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CC2)c1 12817849 MFUOYHYKBKJPTD-UHFFFAOYSA-N 295.342 3.679 0 40 CHAB Cc1cc(C)c(C)c(OCc2ccc(C(=O)O)cc2)c1 2536629 PCJQUWYBWXONLB-UHFFFAOYSA-N 270.328 3.889 0 40 CHAB Cc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccsc2)c1 12917019 GGKPXLODLVSJTN-CYBMUJFWSA-N 288.416 3.516 0 40 CHAB Cc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 13131801 YEDIBVFJZQKFGD-SJORKVTESA-N 290.370 3.733 0 40 CHAB aggregator CC[C@H](Nc1ccc2c(c1)C(=O)NC2)c1ccc(OC)cc1 97232061 IIMDBCDEZGNSGB-KRWDZBQOSA-N 296.370 3.502 0 40 CHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1 14241461 USIHMJOSYGBWRC-UHFFFAOYSA-N 293.288 3.678 0 40 CHAB CC(C)(C)c1ccc(OCC[C@H]2CCCNC2)cc1 14632372 XZONYLGJBZSYHK-CQSZACIVSA-N 261.409 3.753 0 40 CHAB Cc1ccc(CSCC(=O)N(C)C2CCCC2)cc1 22520355 VWIZLTHJOQBDJZ-UHFFFAOYSA-N 277.433 3.629 0 40 CHAB C[C@H](NCc1ccncc1)C12CC3CC(CC(C3)C1)C2 4959764 DTFSRLNARQAVEK-FCCIYARUSA-N 270.420 3.776 0 40 CHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1 7052918 MSNJLZIGTLEMFZ-UHFFFAOYSA-N 289.400 3.919 0 40 CHAB CC[C@@H](N[C@H](C)c1ccc(C)o1)c1c(C)noc1C 90886178 JJGIQAJUBPSIPV-ZWNOBZJWSA-N 262.353 3.995 0 40 CHAB Cc1ccc(-c2noc(-c3ccc[nH]c3=S)n2)cc1 67172464 ZTXKLCKUQWLWBV-UHFFFAOYSA-N 269.329 3.770 0 40 CHAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccnc1 8710544 MDSCGAYNORUSAZ-SNVBAGLBSA-N 294.276 3.591 0 40 CHAB COc1ccc(CNc2ccccc2-n2cccn2)cc1C 84093614 CMQPGBILMFNNMQ-UHFFFAOYSA-N 293.370 3.801 0 40 CHAB Cc1cscc1C(=O)Nc1ccnc(C)c1Cl 97080061 FQRZKJSATOFDBK-UHFFFAOYSA-N 266.753 3.666 0 40 CHAB Clc1ccc(COC[C@H]2CCCNC2)c(Cl)c1 28521991 YRKZFPQWMLSAGA-JTQLQIEISA-N 274.191 3.510 0 40 CHAB CCO[C@H]1C[C@H](NCc2cccs2)C12CCCCC2 76021626 YNAMHGMOSRGRJM-GJZGRUSLSA-N 279.449 3.966 0 40 CHAB CO[C@H](C(=O)Nc1cccc(SC)c1)c1ccccc1 61333125 JEZPKXBWCQQKRK-HNNXBMFYSA-N 287.384 3.735 0 40 CHAB Cc1c(C(=O)O)ccn1-c1ccc(Cl)c(Cl)c1 75420427 HTMWOXNSDANUAL-UHFFFAOYSA-N 270.115 3.791 0 40 CHAB COC(=O)[C@H](CSc1ccccc1)c1ccccc1 73633149 MDFKQAGNLYJOLS-OAHLLOKOSA-N 272.369 3.736 0 40 CHAB COc1cccc(C[S@@](=O)[C@@H](C)c2ccc(F)cc2)c1 78556272 CROJLQIRSROQEA-YUNKPMOVSA-N 292.375 3.844 0 40 CHAB Cc1cc(Cl)ncc1[C@@H]1CCCN1CC(C)C 72217843 QAXQVDCTZOAMSO-ZDUSSCGKSA-N 252.789 3.836 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1 40160049 AGBTYCCEIOGREX-PTRXPTGYSA-N 271.282 3.539 0 40 CHAB CCC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 224120845 ASLMSFIWOIWRTH-AWEZNQCLSA-N 273.376 3.739 0 40 CHAB COCCCNCc1cccn1-c1ccc(C)c(Cl)c1 223687736 UOLJPLMCSVHHLY-UHFFFAOYSA-N 292.810 3.565 0 40 CHAB Nc1cnccc1C(=O)c1ccc(-c2cccc(Cl)c2)o1 199712593 QKVHONUCHXZMSU-UHFFFAOYSA-N 298.729 3.808 0 40 CHAB Cc1cc(C[C@@H](C)N[C@@H](C)c2cc3ccccc3o2)n[nH]1 90532035 KEFRMYALNWOVLA-YPMHNXCESA-N 283.375 3.746 0 40 CHAB CSc1ccccc1C(=O)C(F)(F)C(F)(F)F 95730884 JXUJJFFYANNKFA-UHFFFAOYSA-N 270.222 3.789 0 40 CHAB c1cc(Cc2ccc(Cc3ccncc3)cc2)ccn1 98073397 FFHRKYGEMWVANQ-UHFFFAOYSA-N 260.340 3.658 0 40 CHAB COc1cc(Br)ccc1-c1ccncc1 90413746 SEQYMZWSIDYPME-UHFFFAOYSA-N 264.122 3.520 0 40 CHAB CCc1nc(CSc2ncc(C(C)C)n2C(C)C)no1 96416352 CTDKZOXCRSZFSA-UHFFFAOYSA-N 294.424 3.825 0 40 CHAB COc1cc(F)cc(C(=O)CCC2CCCC2)c1 382709917 XDTWBWGPNAETIP-UHFFFAOYSA-N 250.313 3.987 0 40 CHAB Cc1cc(F)ccc1C(=O)c1cc(F)ccc1F 95916993 LUHWBFMZYRWMSY-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CO[C@H]1CCN(C2CCCC2)C[C@H]1Cc1ccccc1F 1615140673 UAFQKHQFKQBOKL-QAPCUYQASA-N 291.410 3.648 0 40 CHAB O=C(Oc1ccccc1)c1cc(Cl)cnc1Cl 166845 FJLUELAATSZDTR-UHFFFAOYSA-N 268.099 3.608 0 40 CHAB CCCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 9503222 HUMNMYWCVUTMOQ-OAHLLOKOSA-N 277.364 3.893 0 40 CHAB CC(C)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1 7375538 ZGWZTDIXTLRULR-UHFFFAOYSA-N 295.448 3.669 0 40 CHAB CC(C)C[C@H](C)N(C)C(=O)Cc1c[nH]c2ccccc12 30427914 MPOMSLFWJYWQGQ-ZDUSSCGKSA-N 272.392 3.603 0 40 CHAB C[C@H]1CCCCN1Cn1nc(-c2ccccc2)oc1=S 71652 YZQARGPSRQHAFX-LBPRGKRZSA-N 289.404 3.704 0 40 CHAB COc1ccc(C(C)=O)cc1Oc1ccc(C(C)=O)cc1 1656181 XZGVMKMWIIEHGS-UHFFFAOYSA-N 284.311 3.893 0 40 CHAB O=C(Nc1ncnc2sccc12)c1ccc(Cl)cc1 5299383 DZZLKYRVDSWFTR-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB CC(C)CCSc1nnc2n1CCN2c1ccccc1 9574063 YMVFSSJWOVGVQL-UHFFFAOYSA-N 288.420 3.568 0 40 CHAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccco1 575621135 NQLUYMHEQZTDTR-LLVKDONJSA-N 285.368 3.855 0 40 CHAB CC(C)(C)OC(=O)N1CCc2cc(C3CC3)ccc2C1 1250032485 NMQRAEBHONGCJI-UHFFFAOYSA-N 273.376 3.857 0 40 CHAB CCNC(=S)Nc1cc(C(F)(F)F)ccc1Cl 6954232 HELDTSHDKMPYAF-UHFFFAOYSA-N 282.718 3.665 0 40 CHAB CC[C@H](C)N(C(=O)c1ccc(F)cc1)[C@@H](C)CC 6120239 RPMHMSPVDYKIEA-RYUDHWBXSA-N 251.345 3.865 0 40 CHAB CC(C)=CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C 31025917 PGCQETBQUYUFAE-UHFFFAOYSA-N 283.375 3.702 0 40 CHAB CN(C)C[C@@H]1c2ccccc2CSc2ccccc21 347717 ICVCJRXWYDUPFT-MRXNPFEDSA-N 269.413 3.986 0 40 CHAB Cc1nc2cc(NC(=O)[C@H](C)Oc3ccccc3)ccc2o1 21704352 WDUFMVHCLHPFFX-NSHDSACASA-N 296.326 3.542 0 40 CHAB CC(C)(C)OC(=O)N1CCc2cccc(C3CC3)c2C1 1857793586 WBPVRQURZCWYPH-UHFFFAOYSA-N 273.376 3.857 0 40 CHAB CCSc1ncnc2sc3c(c12)CC[C@H](C)C3 84892 DBERKFFXHHQEIQ-QMMMGPOBSA-N 264.419 3.928 0 40 CHAB C[C@H]1CCc2c(sc3ncnc(N4CCCCC4)c23)C1 383337 UNXTXIYUGSSXPM-NSHDSACASA-N 287.432 3.806 0 40 CHAB C1=CC[C@@H]2[C@H](C1)CN1CCc3c([nH]c4ccccc34)[C@@H]21 2124056 OUQFYCOJMMHQMV-SNUQEOBHSA-N 264.372 3.663 0 40 CHAB biogenic COc1ccc(CNC(=O)c2ccco2)c(C(C)(C)C)c1 6262667 IMHYRTDQFZQQPN-UHFFFAOYSA-N 287.359 3.516 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 108972911 RLVQLZXINSMGIX-DGCLKSJQSA-N 294.826 3.707 0 40 CHAB Cc1ccc(O)c(C(=O)Nc2cccc3c2CCCC3)c1 20551821 JCKHSCQFWYLTQO-UHFFFAOYSA-N 281.355 3.832 0 40 CHAB Clc1c(CSc2ncn[nH]2)sc2ccccc12 24958337 YAJRUKIADQNDOC-UHFFFAOYSA-N 281.793 3.965 0 40 CHAB Cc1[nH]c(C(F)(F)F)c(C(=O)c2ccccc2)c1C 55104197 RJATWFRZZJTTAH-UHFFFAOYSA-N 267.250 3.881 0 40 CHAB CCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 11667380 SJHKNPHXWVKYCK-LBPRGKRZSA-N 297.358 3.530 0 40 CHAB O=C(c1ccccc1F)c1ccccc1CN1CCCC1 2515572 WVRWHXPVKSFBGP-UHFFFAOYSA-N 283.346 3.653 0 40 CHAB Fc1cc(F)c2nc(NCc3cccnc3)sc2c1 11919986 ZUZFGGVLRHLOMJ-UHFFFAOYSA-N 277.299 3.582 0 40 CHAB c1ccc2c(SCc3nc4ccccc4[nH]3)nncc2c1 2699489 MBYOLPCUJKPJGJ-UHFFFAOYSA-N 292.367 3.798 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1 3480021 ZXNZBJZGAQTCRK-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB C[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1 3569689 JBMKKVXAGNNEER-NSHDSACASA-N 291.297 3.779 0 40 CHAB Nc1c(Cl)cc(Cl)cc1-c1nc2ncccc2o1 73639991 IUAINBJAFUDIJU-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB Cc1ccc(C(C)C)cc1CN1C(=O)C(=O)c2ccccc21 4553854 VENKWYSXUGLISZ-UHFFFAOYSA-N 293.366 3.848 0 40 CHAB C[C@@H](c1ccccc1)n1c(=S)[nH]c2ccccc2c1=O 5691707 DWHNTCIHPKYFIN-NSHDSACASA-N 282.368 3.668 0 40 CHAB Nc1cc(NC(=O)c2ccccc2Cl)ccc1Cl 19736448 GCQVLUMBRXTXKL-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Cc1cc(C)c2nc(NC(=O)c3ccccn3)sc2c1 9451601 SBVUZGFPAVCGMS-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB CC[C@H](C)c1ccccc1NC(=O)c1cc(C)no1 7990645 PBOJDVJGOXHZRS-JTQLQIEISA-N 258.321 3.749 0 40 CHAB CC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)c(C)c1 69656747 ONKAYXJZXZOYRO-UHFFFAOYSA-N 296.248 3.799 0 40 CHAB CSc1ccc([C@@H]2CCCCN2CC(C)C)cn1 72216904 ODKADYXKFLWGLT-AWEZNQCLSA-N 264.438 3.987 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 8714220 WWGIBUOCPUZTGM-NEPJUHHUSA-N 283.799 3.721 0 40 CHAB CO[C@H](C)c1cccc(NCc2cn3c(C)cccc3n2)c1 75092086 FLLJROVMOBOKAO-CQSZACIVSA-N 295.386 3.962 0 40 CHAB Cc1nc(-c2ccccc2)nc2c1[C@H]1[C@@H](C2)C1(C)C 237572 VVZNGIWLPQQXHU-IUODEOHRSA-N 250.345 3.748 0 40 CHAB biogenic Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccccc2C)cc1 30854288 RPKUAYQLBWDLSM-INIZCTEOSA-N 297.398 3.729 0 40 CHAB CC(C)C[C@H]1CCCCCN1Cc1ccc(C(=O)O)o1 516872858 RSCNQGUCAIBEKE-CYBMUJFWSA-N 279.380 3.769 0 40 CHAB OC[C@H](c1cccc(Cl)c1Cl)N1CCCCC1 70453286 JNWZHNNYQCKSDD-GFCCVEGCSA-N 274.191 3.513 0 40 CHAB CC(C)c1ocnc1C(=O)N1c2ccccc2CC[C@H]1C 71915219 RNXVKCSIJMPQJQ-GFCCVEGCSA-N 284.359 3.780 0 40 CHAB CC[C@H](C)n1c(Cc2ccccc2)ccc1C(=O)O 226027635 WQZNREGAOOPQAB-LBPRGKRZSA-N 257.333 3.748 0 40 CHAB CCC(=O)NCCSCc1ccc(Cl)c(Cl)c1 225655970 ZSGIRHTVZYQVSF-UHFFFAOYSA-N 292.231 3.753 0 40 CHAB COc1ccc(CC(=O)N2c3ccccc3C[C@H]2C)cc1C 223187439 ZRQXYEHBVLAQGA-CQSZACIVSA-N 295.382 3.524 0 40 CHAB CCCCc1ccc(C(=O)CC(C)(C)C(=O)O)cc1 43214250 UHRHQEDZAQNGKZ-UHFFFAOYSA-N 262.349 3.713 0 40 CHAB Cc1ccc(OCC[C@H]2CCCCN2)c(Cl)c1 42770866 XWDREOFGFGKLBT-GFCCVEGCSA-N 253.773 3.559 0 40 CHAB Cc1ccc(OCCC2CCNCC2)c(Br)c1 42772183 NZVHAHCTEHRWDL-UHFFFAOYSA-N 298.224 3.526 0 40 CHAB CC[C@@H](NC(=S)Nc1ccncc1)c1ccccc1 225482570 DHTLCYLNCBKKEB-CQSZACIVSA-N 271.389 3.519 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCC1=CCCCC1 224447030 LBKZOZPNHYELCP-MRXNPFEDSA-N 291.366 3.600 0 40 CHAB CCOc1ccc(NC(=O)[C@H](C)c2ccccc2)cc1 96318521 BWAYJXABUWGJGB-CYBMUJFWSA-N 269.344 3.828 0 40 CHAB Cc1ccc(CO)c(OCc2ccccc2F)c1C 95095204 GIYCNCHYAVDTRT-UHFFFAOYSA-N 260.308 3.514 0 40 CHAB CCOC(=O)c1cc(Cl)sc1C(F)(F)F 252496341 PHAABIWUVIZTJF-UHFFFAOYSA-N 258.648 3.597 0 40 CHAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc2c(N)cccc12 685938667 YURCQHFNAPJBCI-RYUDHWBXSA-N 269.392 3.608 0 40 CHAB CCc1ccc2oc(-c3ccc(N)c(C)c3)nc2c1 523606 YZCYXNLPZFZKFX-UHFFFAOYSA-N 252.317 3.948 0 40 CHAB NC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 42112989 OLODERROMSINKU-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB Cc1ccc(C)c(/C=C2/N=C(c3cccs3)OC2=O)c1 445702 YKIUXUZQAZOMIV-UKTHLTGXSA-N 283.352 3.709 0 40 CHAB C/C(CN1CCCC1)=C(/[O])c1ccc(C(F)(F)F)cc1 1560411735 KPVFZIDGEDQMAF-UHFFFAOYSA-N 284.301 3.963 0 40 CHAB Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1F 5702124 NPQBKBCFCWRNAU-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CCCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 5524763 CKQZIEOAUUXBLS-UHFFFAOYSA-N 290.388 3.947 0 40 CHAB O=C1O[C@@H](/C=C/c2ccccc2)Sc2ccccc21 1599617 RGNQSOOYPAWNOV-AUECHBEKSA-N 268.337 3.989 0 40 CHAB Cc1cc(C(=O)C(F)(F)F)ccc1Br 107773345 JRPAFFSPQFABQW-UHFFFAOYSA-N 267.044 3.503 0 40 CHAB CCOc1ccc(C(=O)c2cc(C)ccc2C)cc1 37353577 XQOXVBRRTLGKDN-UHFFFAOYSA-N 254.329 3.933 0 40 CHAB CC(C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 20539381 AMVSBKZWPLMVQE-GFCCVEGCSA-N 256.349 3.608 0 40 CHAB COc1ccccc1NC(=O)[C@H]1CCCc2ccccc21 32755148 MCBMEEMYUODTOS-HNNXBMFYSA-N 281.355 3.754 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@H]2CC[C@@H]1C2 438764 DUTDNCVTPKVCGV-IQJOONFLSA-N 267.731 3.854 0 40 CHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1N 487773 SOXAGEOHPCXXIO-HEHGZKQESA-N 275.392 3.886 0 40 CHAB in-man CNCc1cc(F)ccc1Oc1ccc(Cl)cc1 12359681 PMXOUAJLQYBUOO-UHFFFAOYSA-N 265.715 3.991 0 40 CHAB CCCCOC(OCCCC)C(C)(C)CN(C)C 1724879 FLPFAJDQYYZFJD-UHFFFAOYSA-N 259.434 3.534 0 40 CHAB O=C(CCC1CCCCC1)Nc1ccc2c(c1)OCO2 3607253 SPQQBAAVNWYOLW-UHFFFAOYSA-N 275.348 3.714 0 40 CHAB c1ccc(C(CNC[C@H]2CCCO2)c2ccccc2)cc1 4992645 PFYGZRURHRYWBG-GOSISDBHSA-N 281.399 3.587 0 40 CHAB COc1ccc(C2=CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 47554640 UOYHAHIOVYBHBZ-HNNXBMFYSA-N 297.398 3.667 0 40 CHAB O=C(NCc1ccc(F)c(Cl)c1)c1ccccc1F 53155912 FSRZYKPKRAWINE-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB O=C(Nc1ccncc1)c1occc1-c1ccccc1 12545273 XQFCXABYTHFBDP-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB Cc1nc(N[C@@H](C)CCc2ccccc2)sc1C(=O)O 20156583 CYYAAQFRKBPFLS-JTQLQIEISA-N 290.388 3.583 0 40 CHAB CCCNC(=O)c1ccc(SCc2cscn2)cc1 44896755 UQSVATPENGNQQC-UHFFFAOYSA-N 292.429 3.575 0 40 CHAB COc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1 26443219 MBUZRNKDIGXZAX-UHFFFAOYSA-N 295.294 3.715 0 40 CHAB O=C(c1cc(F)ccc1F)c1cncc2ccccc12 45028911 IWUHSLUUXGFEHX-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB Cc1cc(C)cc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)c1 12799254 MDHIATJWBAVWNW-DHDCSXOGSA-N 281.311 3.549 0 40 CHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Cl)cc1Cl 28236335 BLBPASFGAABUNH-UHFFFAOYSA-N 298.173 3.596 0 40 CHAB CCSc1cc(C)nc2c(-c3ccccc3)cnn12 2380910 RMMJCWITMHFZNZ-UHFFFAOYSA-N 269.373 3.817 0 40 CHAB FC1[C@](F)(Cl)[C@](F)(Cl)[C@](F)(Cl)[C@@]1(F)Cl 64220160 FQFOJXUQZIYKKN-AJQRYJNJSA-N 297.865 3.957 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)NC1CCCCCC1 20043699 NQYUGSHZLHNPNE-KRWDZBQOSA-N 289.419 3.991 0 40 CHAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 12864400 ZKZWMMCGYQDRKV-UHFFFAOYSA-N 289.281 3.566 0 40 CHAB Cc1cc(C(=O)Nc2cccc(F)c2)c2ccccc2n1 2638881 RQUMNBQCJJZNNZ-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB c1cnc2c(OC[C@@H]3CCCN4CCCC[C@H]34)cccc2c1 4029148 YTPGZPIZLZHNLJ-DLBZAZTESA-N 296.414 3.878 0 40 CHAB biogenic,in-vitro C1CCCC(c2noc([C@@H]3CCCCCN3)n2)CC1 83255155 SIFOPMPDQCHBDI-ZDUSSCGKSA-N 263.385 3.712 0 40 CHAB in-vitro Cc1cc(Cl)ccc1OCCCC(=O)NCCC(C)C 6270378 MZPQMGUWNOUEIR-UHFFFAOYSA-N 297.826 3.970 0 40 CHAB Fc1cc2s/c(=N\C3=NCCCCC3)[nH]c2c(F)c1F 6413821 XWSNEDWMPRQKOS-UHFFFAOYSA-N 299.321 3.520 0 40 CHAB Fc1ccc(CSC2=N[C@@H]3CCCC[C@H]3N2)c(Cl)c1 14196670 MZLCWNMQPLWQFP-CHWSQXEVSA-N 298.814 3.983 0 40 CHAB CC(=O)Nc1cccc(OCc2cc3ccccc3s2)n1 96190778 UOSRAXXHMWJKAU-UHFFFAOYSA-N 298.367 3.834 0 40 CHAB Cc1ccc(-c2nnc(SC(=O)c3ccco3)o2)cc1 408599833 LWXUMRLARNDMGE-UHFFFAOYSA-N 286.312 3.571 0 40 CHAB C[C@H](c1cccc(O)c1)N(C)C(=O)NC1CCCCCC1 67581452 NNLIYRNVIPHKLR-CYBMUJFWSA-N 290.407 3.817 0 40 CHAB COc1ccc(CN(C(=O)Nc2ccccc2)C2CC2)cc1 7989317 IHDTVHQPRMPXOU-UHFFFAOYSA-N 296.370 3.892 0 40 CHAB FC(F)(F)c1ncnc(Cl)c1Cc1ccccc1 114718610 DRGWDZWEOTYVBF-UHFFFAOYSA-N 272.657 3.740 0 40 CHAB O=C(CN(C1=NCCCC1)c1ccccc1)c1ccccc1 8435932 XPXWSASHFDTNJU-UHFFFAOYSA-N 292.382 3.958 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@H]2CCCC[C@@H]21 69874266 FVIHFDUAXKRQIE-WBMJQRKESA-N 268.360 3.573 0 40 CHAB Cc1nc2cc(C(=O)Nc3ccc4cc[nH]c4c3)ccc2[nH]1 95472906 GDBCZANMMOAOPO-UHFFFAOYSA-N 290.326 3.605 0 40 CHAB CC1CCN(C(=O)CC2(n3cccc3)CCCCC2)CC1 95472608 ZSAIBFDNIHTYHO-UHFFFAOYSA-N 288.435 3.796 0 40 CHAB Cc1ccsc1CNC(=O)C1(c2ccc(F)cc2)CC1 23137932 RCANIRLMNLKIJB-UHFFFAOYSA-N 289.375 3.544 0 40 CHAB COc1ccccc1-c1nnc(Nc2ccccc2)s1 1501040455 SGGFMTBAFZANML-UHFFFAOYSA-N 283.356 3.957 0 40 CHAB CCCCCCSc1cc(C(N)=O)cc(Cl)n1 3850994 PBYQWJFFTDCGOK-UHFFFAOYSA-N 272.801 3.506 0 40 CHAB biogenic CC(C)[C@@H]1NC(=S)OC1(c1ccccc1)c1ccccc1 31829542 RPZKBIVAULGKTQ-INIZCTEOSA-N 297.423 3.860 0 40 CHAB CCCn1c(CCCCC(=O)O)nc2cc(Cl)ccc21 37440155 CQMBJMUGFMTXFQ-UHFFFAOYSA-N 294.782 3.897 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cc1)OCC(F)(F)F 32628841 LQCXCGJWHXQZMV-UHFFFAOYSA-N 287.159 3.816 0 40 CHAB CC(C)c1cccc(C2(O)CCN(C(C)C)CC2)c1 79030454 GFXZIRQBOHHQNG-UHFFFAOYSA-N 261.409 3.502 0 40 CHAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1cccc(C)c1 80344803 HYECDAGHWCLCSD-KRWDZBQOSA-N 297.398 3.891 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@@H](C)COc2ccccc2C)c1 225394476 CPQZOPYWMXDRKO-INIZCTEOSA-N 297.398 3.809 0 40 CHAB CCOC(=O)c1cc(C)n(-c2c(Cl)cccc2Cl)n1 88259970 NCSMQFGYBBNKNO-UHFFFAOYSA-N 299.157 3.664 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)c1sccc1C 42161234 GUNUNXFWSUJOFZ-UHFFFAOYSA-N 271.385 3.958 0 40 CHAB CCc1ccc(NCc2coc3ccccc3c2=O)cc1 96137244 PHHVRLVATQMHAZ-UHFFFAOYSA-N 279.339 3.968 0 40 CHAB OCc1cc(-c2ccccc2)nc(-c2ccccc2)c1 98175190 NJANCCNBUVIRPV-UHFFFAOYSA-N 261.324 3.908 0 40 CHAB OCc1ccc(Oc2ccc(Cl)cc2)nc1Cl 261507650 KSAITOSSLNCGGI-UHFFFAOYSA-N 270.115 3.673 0 40 CHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCCCC1 577365 PNPFVTPKZNLUAU-UHFFFAOYSA-N 295.810 3.900 0 40 CHAB CCCN1CCCC[C]1C(=O)Nc1c(C)cccc1C 1560405199 LPLHSCHGSWVVHA-UHFFFAOYSA-N 273.400 3.670 0 40 CHAB Cc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1C 16031806 GNVFSFZGQQIFII-UHFFFAOYSA-N 265.356 3.974 0 40 CHAB Cc1cc(Cl)nc(COc2ccc(F)cc2Cl)n1 163685664 NILOOOJFTIWENK-UHFFFAOYSA-N 287.121 3.810 0 40 CHAB O[C@]1(C(F)(F)F)ON=C2/C(=C/c3ccccc3)CCC[C@H]21 4269867 RHOOTQAOZKPADG-QRUMOCGTSA-N 297.276 3.507 0 40 CHAB COc1ccc(C(C)=O)cc1CN1CCCCCCC1 34980778 VUWDWNPNNQHJJP-UHFFFAOYSA-N 275.392 3.664 0 40 CHAB Cc1ccc([C@H](C)NC(=O)CCc2ccc(F)c(F)c2)o1 40086613 LIGBNVXIVHDVQG-NSHDSACASA-N 293.313 3.676 0 40 CHAB Cc1ccc2nc(NC(=O)COc3ccccc3)sc2c1 362974 WURMMBDBVFQPPP-UHFFFAOYSA-N 298.367 3.622 0 40 CHAB CC1[C@H](C(=O)c2ccccc2)[C@H]1C(=O)c1ccccc1 501091 GQQMNGZUUPRBMD-HOTGVXAUSA-N 264.324 3.634 0 40 CHAB CCOc1ccccc1C(=O)Nc1ccccc1Cl 41841 QJTXPAPJIDPGGC-UHFFFAOYSA-N 275.735 3.991 0 40 CHAB COc1ccccc1C(=O)c1nc2ccccc2n1C(C)C 103925 SEZWDOGJVKMNEB-UHFFFAOYSA-N 294.354 3.857 0 40 CHAB COc1ccc(OCC(=O)N(c2ccccc2)C(C)C)cc1 245818 MSBCYKPQBQRSLJ-UHFFFAOYSA-N 299.370 3.516 0 40 CHAB Cc1cc2ccccc2n1CCNC(=O)c1ccccc1F 427881 FEUCKBAWOIICAI-UHFFFAOYSA-N 296.345 3.519 0 40 CHAB C[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O 488411 PIQARLQHRWXSLS-SGTLLEGYSA-N 282.387 3.588 0 40 CHAB biogenic Cc1ccc(CNC(=O)c2cc(C)cc(C)c2)cc1 496689 MDZUJFFPSQEHOK-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB c1ccc(CCNc2nc(-c3ccccn3)cs2)cc1 613589 CTSMFICDQCUJKD-UHFFFAOYSA-N 281.384 3.860 0 40 CHAB Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)o1 818328 BVIUIGDQOJXSIT-UHFFFAOYSA-N 298.367 3.888 0 40 CHAB O=C1C[C@@H](c2ccccc2)O[C@H](c2ccccc2)C1 1649635 CNCKPUJDRCRAJV-IRXDYDNUSA-N 252.313 3.849 0 40 CHAB O[C@@H](c1ccccc1)c1nc2cccc3cccc([nH]1)c32 1718950 QMRJCXWOVDWCOT-KRWDZBQOSA-N 274.323 3.798 0 40 CHAB CC(=O)Nc1ccccc1C(=O)Nc1ccccc1Cl 3186650 JWUKUWUCTSTTQK-UHFFFAOYSA-N 288.734 3.551 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccc(F)cc2)cc1 5682814 SUBKWFVZWIQSLC-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB Nc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1Cl 6083871 GCLMWCKHWCZCSH-UHFFFAOYSA-N 295.169 3.506 0 40 CHAB Cc1csc(NC(=O)Cc2ccc3ccccc3c2)n1 7039100 OLRWDUBQKNIFOA-UHFFFAOYSA-N 282.368 3.786 0 40 CHAB Cc1noc(C)c1CC(=O)Nc1cc(Cl)cc(Cl)c1 9256766 AYJUMFDAVDYYGY-UHFFFAOYSA-N 299.157 3.779 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10321920 BUCRDNJATNFKPP-DOMZBBRYSA-N 291.354 3.596 0 40 CHAB CC(C)CCNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 11150948 CYKBKNOJIZIYRM-UHFFFAOYSA-N 291.782 3.506 0 40 CHAB Cc1nc2c(c(Nc3ccccc3OC(C)C)n1)CCC2 11907795 CGJNUWDULUGNGX-UHFFFAOYSA-N 283.375 3.805 0 40 CHAB Cc1ccoc1C(=O)N[C@@H](c1ccccc1)c1ccccn1 12536484 SQUPSQSMGMJYIC-INIZCTEOSA-N 292.338 3.502 0 40 CHAB Cc1ccccc1NC(=O)C1(c2ccccc2)CC1 16028896 VITYWEPVZFFHCF-UHFFFAOYSA-N 251.329 3.665 0 40 CHAB CC(=O)c1c(-c2ccccc2)c2cc(C)ccc2[nH]c1=O 17009402 DCDUKTUZOFIPJE-UHFFFAOYSA-N 277.323 3.706 0 40 CHAB O=C(Nc1ccncc1)c1ccc2[nH]c3c(c2c1)CCCC3 17583581 BEKSITRTRFMFKR-UHFFFAOYSA-N 291.354 3.694 0 40 CHAB c1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2NCc2ccccn2)cc1 19373727 UTMCZKMWHNMOGX-NCXUSEDFSA-N 278.399 3.754 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)c1ccccc1 20455995 BNDPRDRYUZCUME-MRXNPFEDSA-N 283.371 3.815 0 40 CHAB Cc1cc(CNC(=O)c2ccc3cc[nH]c3c2)ccc1F 32924454 USXJRFUIMXWORO-UHFFFAOYSA-N 282.318 3.545 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)C1CCCC1 38751995 YHYIYSONLROAEV-INIZCTEOSA-N 289.419 3.862 0 40 CHAB Cc1ccc(F)cc1NC(=O)NCc1cccs1 40012743 GYTVTBWXYIVFPX-UHFFFAOYSA-N 264.325 3.517 0 40 CHAB C[C@@H](Sc1ccccn1)c1nc(-c2ccco2)no1 40501967 BXFOERFRIRPAJX-SECBINFHSA-N 273.317 3.578 0 40 CHAB CCc1ccsc1C(=O)Nc1nnc(C(C)C)s1 48942165 KCPFDWVFRWMCOH-UHFFFAOYSA-N 281.406 3.538 0 40 CHAB COc1ccc(-c2cn[nH]c2)cc1CNC1CCCCCC1 67817300 NAVBUUNIPYMYTG-UHFFFAOYSA-N 299.418 3.898 0 40 CHAB CC(C)N1CCCC[C@H]1c1cccnc1Br 72211630 UGBXUCSCONXPFB-LBPRGKRZSA-N 283.213 3.780 0 40 CHAB Cc1nc([C@H](C)NC(=O)N(C)C2CCC(C)CC2)cs1 72271614 OCGWOWUYCXABNF-AKJDGMEZSA-N 295.452 3.733 0 40 CHAB Cc1cc(CNCc2ccncc2)c2[nH]c(C)c(C)c2c1 72274488 GXJBHFJGAZOVBX-UHFFFAOYSA-N 279.387 3.778 0 40 CHAB O=C(O)c1cc(OCc2ccc3ccccc3n2)cs1 91342650 KTVWKIRMTWYDQS-UHFFFAOYSA-N 285.324 3.574 0 40 CHAB Fc1ccccc1CCNc1nc(C(F)(F)F)cs1 95415892 BSXGFZYTQXJEDJ-UHFFFAOYSA-N 290.285 3.956 0 40 CHAB C[C@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)c1nccs1 105992998 KMJCOXNSOLEJEZ-MNOVXSKESA-N 292.379 3.653 0 40 CHAB CN(C(=O)Nc1nc2ccccc2s1)c1ccccc1 107580376 PTRYTWRCECQGET-UHFFFAOYSA-N 283.356 3.965 0 40 CHAB Cc1ccccc1CSCCNC(=O)C1CCCC1 178372379 FUYKPFBSUBJSOT-UHFFFAOYSA-N 277.433 3.535 0 40 CHAB COc1ccc([C@H](CC(C)C)NC(=O)C(C)C)cc1 223096350 TXINYWYJCPQQLV-HNNXBMFYSA-N 263.381 3.555 0 40 CHAB Cc1cccc(CS(=O)(=O)NC(C)(C)CC(C)(C)C)c1 224168142 GGDAPUJFBKOOLI-UHFFFAOYSA-N 297.464 3.629 0 40 CHAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccco1 225323987 DWKXVDRRMHTDRM-UHFFFAOYSA-N 298.169 3.835 0 40 CHAB CCCCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 225660387 DCRFLUDYNNNTQT-AWEZNQCLSA-N 289.419 3.639 0 40 CHAB CC[C@H](NC(=O)C(C)(C)C)c1ccc(OC)c(C)c1 225749353 NKNGTYFREYGYJB-ZDUSSCGKSA-N 263.381 3.617 0 40 CHAB CC(C)[C@@H]1C[C@H](N)c2ccccc2N1C(=O)OC(C)(C)C 252492253 MGPYHEWUULDAER-ZFWWWQNUSA-N 290.407 3.856 0 40 CHAB CCC[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1 408706393 LBLFZPAQPAUIQR-LBPRGKRZSA-N 283.799 3.804 0 40 CHAB Cn1ccc2cc(Br)c(C(F)(F)F)cc21 575441147 IKQAIQZIECBICD-UHFFFAOYSA-N 278.071 3.960 0 40 CHAB FC(F)COc1ccnc2c(Br)cccc12 685937335 HDIOOOCAAYHTIS-UHFFFAOYSA-N 288.091 3.641 0 40 CHAB Cc1ccc(OC[C@H]2Nc3ccc(F)cc3N2)c(C)c1 1772765519 LDBJTNGBTINVJH-INIZCTEOSA-N 272.323 3.685 0 40 CHAB COc1cccc(C(=O)Nc2ccc(OC)c(Cl)c2)c1 266722 UPVSMCJOGYDGDV-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB C[n+]1c(-c2ccccc2)cn2ccc3ccccc3c21 387322 DCKFBWSASXHOPM-UHFFFAOYSA-N 259.332 3.584 0 40 CHAB c1ccc(-c2nnc3sc4ccccc4n23)cc1 1585810 KDTJMEXGCZZEOX-UHFFFAOYSA-N 251.314 3.611 0 40 CHAB CC(C)c1ccccc1NC(=S)NC(C)(C)C 6541211 FHFZJVSYYBSFMC-UHFFFAOYSA-N 250.411 3.895 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1C 8041106 COBKPRCGGAYZBZ-GOSISDBHSA-N 297.398 3.777 0 40 CHAB O=C(c1cc2cc3ccccc3nc2s1)N1CCCC1 1399186 AFBYYHWKKKITTJ-UHFFFAOYSA-N 282.368 3.686 0 40 CHAB Cc1cc(C)n2nc(-c3sccc3-n3cccc3)cc2n1 1383650 FLNVTPWQXXHJIQ-UHFFFAOYSA-N 294.383 3.865 0 40 CHAB Cc1cn2c(CC(=O)Nc3cccc(C)c3C)csc2n1 25050988 YXIRZDPQVXXFKY-UHFFFAOYSA-N 299.399 3.502 0 40 CHAB CC1(C)N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N21 25720869 SMTPRAOVWHJEDI-LGJCEAAXSA-N 262.356 3.651 0 40 CHAB Cc1ccc(CN(C)C(=O)c2cnc(Cl)c(Cl)c2)o1 35122293 SNOFLHSCIDSPJZ-UHFFFAOYSA-N 299.157 3.562 0 40 CHAB CCCn1nccc1C(=O)Nc1cccc(C(F)(F)F)c1 28245351 YDGHCTFUQHZMJD-UHFFFAOYSA-N 297.280 3.564 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 10296370 RTEIQSVFHYOUJW-CUOATXAZSA-N 297.320 3.724 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)N[C@@H](C)c1ccco1 25261385 UNWCLTGAODXTJD-JTQLQIEISA-N 268.316 3.560 0 40 CHAB CCCCCC(=O)NC[C@H](Nc1ccccc1)C(C)C 58637939 AWZKZEAHHAYLDI-INIZCTEOSA-N 276.424 3.820 0 40 CHAB C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 18173471 AJIINWQZQLGPNK-JTQLQIEISA-N 276.286 3.848 0 40 CHAB Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c(C)o1 28225654 JGDAEINQZOMRBQ-MRVPVSSYSA-N 290.388 3.730 0 40 CHAB C[C@H](NCC[C@@H]1CCCO1)c1ccc(Br)cc1 38095374 STZUTWBLZGEWQO-FZMZJTMJSA-N 298.224 3.669 0 40 CHAB CCCC(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)cc1 28244508 IDQUCFBKBDFFII-UHFFFAOYSA-N 291.782 3.881 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]1c1ccccc1 6340390 MQPGNHOUIMXJOI-LUJKNUAXSA-N 295.426 3.875 0 40 CHAB CCc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1 14248164 GTUVVGCWEAVPTM-ZDUSSCGKSA-N 283.371 3.749 0 40 CHAB COc1ccccc1[C@H](C)Nc1ncnc2ccsc12 8921589 QMUBZGTXSQIAFJ-JTQLQIEISA-N 285.372 3.873 0 40 CHAB CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14397978 MNTDDSHYMSKZFV-STQMWFEESA-N 277.408 3.666 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc2c1CCCC2 14633201 QGWYWTJLJFNTBQ-ZDUSSCGKSA-N 255.361 3.860 0 40 CHAB C[C@H](NC(=O)COc1ccccc1)c1ccccc1Cl 7597535 QPENQFFLVUBYMQ-LBPRGKRZSA-N 289.762 3.596 0 40 CHAB Brc1ccc2c(c1)C1(CCCC1)CN2 68593507 XAIVBUKCMJRNHM-UHFFFAOYSA-N 252.155 3.686 0 40 CHAB in-vitro CCc1cccc(C)c1NC(=O)N1CCC=C(F)C1 96013168 UPTHNGUOFPBQGC-UHFFFAOYSA-N 262.328 3.648 0 40 CHAB CC(C)NC(=O)c1cc2c(s1)CCCCCC2 17300005 ZJRRWSANXDYSNV-UHFFFAOYSA-N 251.395 3.545 0 40 CHAB Oc1ccc(-c2csc(Nc3ccccc3)n2)c(O)c1 9322076 FXVHSVUUZUOZDG-UHFFFAOYSA-N 284.340 3.965 0 40 CHAB Cc1ccc2[nH]cc(C(=O)NCCc3ccccc3F)c2c1 95468468 OZIVFEAOCSFULD-UHFFFAOYSA-N 296.345 3.588 0 40 CHAB Cc1cnc(NCc2ccc(Oc3cnccn3)cc2)s1 97114416 CQBRGFUORLELBH-UHFFFAOYSA-N 298.371 3.646 0 40 CHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccon2)o1 121039558 TZYBRCHYEXBKDC-PWSUYJOCSA-N 289.335 3.581 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1 36623479 RKZQJYWMEDYYKV-CABCVRRESA-N 297.398 3.894 0 40 CHAB CCN(CC)C(=O)[C@H](C)Oc1cc(Cl)ccc1Cl 32647989 VVJXKTRVYUSPLB-VIFPVBQESA-N 290.190 3.629 0 40 CHAB Oc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72212275 QQZUJZSQCHLLLV-INIZCTEOSA-N 268.360 3.514 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](O)C2 4720682 CVCDJRPXEWJAAY-DSEYRMEUSA-N 290.447 3.671 0 40 CHAB biogenic,in-vitro CCC(=O)Nc1cc(N2[C@@H](C)CCC[C@H]2C)c(C)cc1N 216865050 DNNMJZUXQMPDGO-BETUJISGSA-N 289.423 3.693 0 40 CHAB Cc1nc(N2CCCCCC2)ccc1[C@@H](N)c1ccccc1 72224582 JPJZAPVLRVZSAE-IBGZPJMESA-N 295.430 3.819 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 38754346 OLOTUOHSZGEJBQ-AWEZNQCLSA-N 253.345 3.794 0 40 CHAB c1ccc(Nc2nc(NC3CC3)c3ccccc3n2)cc1 41149524 POARUTXHRNDXQQ-UHFFFAOYSA-N 276.343 3.948 0 40 CHAB CCCCc1ccc(Nc2ccc(C(=O)NC)cc2N)cc1 225446338 AOHKOOLVDYKHFX-UHFFFAOYSA-N 297.402 3.715 0 40 CHAB COC(=O)c1cc(N)ccc1Nc1ccc(C(C)C)cc1 41080868 OCLWONJVSBQZDS-UHFFFAOYSA-N 284.359 3.922 0 40 CHAB O=C(O)Cc1cccc(OCc2ccc(Cl)cc2)c1 48806032 NGKBMFVBGSHBLA-UHFFFAOYSA-N 276.719 3.546 0 40 CHAB CC[C@@H](C)Oc1ccc(NC(=O)[C@](C)(CC)OC)cc1 225600951 HBYXQHXXCFRIKZ-WBMJQRKESA-N 279.380 3.618 0 40 CHAB O=C(CSCc1ccccc1)NCC1=CCCCC1 223396245 VWOKLIYINXCYAB-UHFFFAOYSA-N 275.417 3.536 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)NCC1CCCCC1 224420595 AOXBSDUPRFRRNZ-AWEZNQCLSA-N 289.419 3.713 0 40 CHAB COc1ccc(Cl)cc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 40096189 JWCZPXWBRKOBNO-GHMZBOCLSA-N 296.798 3.858 0 40 CHAB Clc1cc([C@@H]2CCCO2)nc(-c2ccccc2)n1 96524136 GGTASKKEYCPGSM-LBPRGKRZSA-N 260.724 3.649 0 40 CHAB Clc1ccc(SC2C[C@@H]3CC[C@H](C2)N3)cc1 95908594 OQWSLDAPYXRVNA-QYJAPNMZSA-N 253.798 3.715 0 40 CHAB COc1ccc(-c2n[nH]c([C@@H](C)c3ccccc3)n2)cc1 642882624 VBTOHKOEQVLSIK-LBPRGKRZSA-N 279.343 3.632 0 40 CHAB CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 1665862 CBZIGGLPIYJLLU-KRWDZBQOSA-N 255.361 3.589 0 40 CHAB CCOc1ccc(CNC(=O)/C=C/c2ccc(F)cc2)cc1 13673657 LEHHGBNHCSERRU-KPKJPENVSA-N 299.345 3.554 0 40 CHAB CCCCCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708544 FGHJFTUQQIMLJA-CQSZACIVSA-N 285.387 3.914 0 40 CHAB CCN(CC)C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14400718 SVWYCXZHHQCMFJ-LBPRGKRZSA-N 283.799 3.593 0 40 CHAB Nc1cc(Br)ccc1Oc1ccc(F)cc1 14631005 LDLZCMSKHTZAAP-UHFFFAOYSA-N 282.112 3.963 0 40 CHAB C[C@H](OC(=O)c1ccccc1)C(Cl)(Cl)Cl 162174 UOZZELCKTHEAQQ-ZETCQYMHSA-N 267.539 3.602 0 40 CHAB CCC[C@@H](NC(=O)c1ccccc1)c1ccccc1 295718 VZDCIRXTMQWXRT-MRXNPFEDSA-N 253.345 3.958 0 40 CHAB CCCCC(=O)Nc1nc2ccc(CC)cc2s1 6427036 XDGIHZKGXXJXCD-UHFFFAOYSA-N 262.378 3.987 0 40 CHAB CCN(c1ccc(NC(=O)c2cccn2C)cc1)C(C)C 12539204 MYNOUVCVZOIVTO-UHFFFAOYSA-N 285.391 3.512 0 40 CHAB Cc1cccc(-c2noc(-c3ccc(N)cc3Cl)n2)c1 48814628 CLQCQCDAAFVBSY-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB CC[C@H](C)Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 10386140 RWLWBJFBBQCKFH-ZDUSSCGKSA-N 295.390 3.643 0 40 CHAB CCN(Cc1cccs1)C(=O)NCc1ccc(F)cc1 31037311 XMZGEMVEKOZQQE-UHFFFAOYSA-N 292.379 3.619 0 40 CHAB Cc1oc2c(C)c(O)ccc2c(=O)c1-c1ccccc1F 32634062 PBTPRDGFEDRDIM-UHFFFAOYSA-N 284.286 3.922 0 40 CHAB C/C=C/COC(=O)c1sc(-c2ccsc2)nc1C 32860329 RQSXAVXQLMAZLU-ONEGZZNKSA-N 279.386 3.913 0 40 CHAB CC(C)NC(=O)/C=C/c1cccc(Cl)c1Cl 32973817 PCQZQYBKCQXONZ-VOTSOKGWSA-N 258.148 3.531 0 40 CHAB COc1ccc(-c2c(C)c3ccccc3oc2=O)cc1OC 57840 XTQFXRPKOWXOQI-UHFFFAOYSA-N 296.322 3.786 0 40 CHAB biogenic Cc1ccccc1OCC(=O)Nc1cccc(C)c1C 335665 UDIKMQLYUGBOLB-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB COC(=O)c1ccc(COc2ccccc2Cl)cc1 484163 LQOLSKRIRFBLDV-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB CC[C@H](C)Nc1nc(-c2cccnc2)nc2ccccc12 892018 ICHVUPHTLBHKJK-LBPRGKRZSA-N 278.359 3.902 0 40 CHAB CCCC(=O)NC(=S)Nc1cc(Cl)ccc1Cl 1000658 VSGXFGJPJZFPDC-UHFFFAOYSA-N 291.203 3.607 0 40 CHAB CCc1c(Cl)nc(N)nc1Nc1ccccc1Cl 1679318 VBZSMXUCJWXFKH-UHFFFAOYSA-N 283.162 3.672 0 40 CHAB CC(=O)Nc1ccc(Cc2ccc(Cl)cc2)cc1 1701630 DQZZHTXVCZLISL-UHFFFAOYSA-N 259.736 3.889 0 40 CHAB O=C(CNC1CC1)Nc1ccccc1Sc1ccccc1 3310784 PAPFSAKQYMLEIQ-UHFFFAOYSA-N 298.411 3.528 0 40 CHAB Cc1cccc(C(=O)c2c(N)sc3c2CCCC3)c1 3338706 ZPRLDCBLJUFUMQ-UHFFFAOYSA-N 271.385 3.749 0 40 CHAB Fc1ccc(CO[C@@H]2CCOc3ccccc32)cc1 4107014 XQAHRPDGNVJSON-MRXNPFEDSA-N 258.292 3.866 0 40 CHAB O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 5517457 IYSYPCSSDZBWHN-UHFFFAOYSA-N 295.407 3.672 0 40 CHAB world O=Cc1ccc2cccc3[nH]c(C(F)(F)F)nc1c23 6438299 FRZCJQMDGWOKDO-UHFFFAOYSA-N 264.206 3.547 0 40 CHAB FC(F)(F)c1ccc(N/N=C/c2ccsc2)nc1 6866708 ABQQOYFFQMWPPD-FZSIALSZSA-N 271.267 3.608 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](C)SCc1ccccc1 6946865 MXQATGSBXVFYKO-QWHCGFSZSA-N 265.422 3.613 0 40 CHAB CC1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1 12608353 OVIJHITXRUHUMC-UHFFFAOYSA-N 279.383 3.811 0 40 CHAB CN1C(=O)c2ccccc2N[C@@H]1c1cc2ccccc2o1 12633737 XEOLLKBFVJHMGV-INIZCTEOSA-N 278.311 3.629 0 40 CHAB C[C@H]1C[C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)CC(C)(C)C1 13138456 RJOWTKXJOABMPB-OPQQBVKSSA-N 292.250 3.901 0 40 CHAB CCCCCCn1c(CCCO)nc2ccccc21 13452924 CLCXMZXPMNDLHW-UHFFFAOYSA-N 260.381 3.542 0 40 CHAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 13939858 DQBNHFGYRCCQJY-UHFFFAOYSA-N 297.464 3.792 0 40 CHAB CCN(CC)C(=O)c1sc2c(N)cccc2c1Cl 20160114 RAYHUHYFGDDWDK-UHFFFAOYSA-N 282.796 3.619 0 40 CHAB Fc1ccc(-c2ccc(NC3CCCC3)nn2)cc1 20716948 NYFUSBZDBPPDSJ-UHFFFAOYSA-N 257.312 3.637 0 40 CHAB CC(C)=CC(=O)Nc1nc(-c2ccccc2)cs1 22832970 HPUXBZWYOFHBDK-UHFFFAOYSA-N 258.346 3.715 0 40 CHAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccccn1 26071158 XYOFPRACMJSVRI-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)NC(C(C)C)C(C)C 30752743 LYQSLYAIOQRFMJ-HNNXBMFYSA-N 291.435 3.949 0 40 CHAB Cc1ccc(C)c(-n2nc(C)cc2NC(=O)c2ccoc2)c1 32859961 DXDLZJBQPBUOIB-UHFFFAOYSA-N 295.342 3.643 0 40 CHAB O=C(NCCC1=CCCCC1)N1CCc2sccc2C1 32891542 RBQYVOJGKGXPLZ-UHFFFAOYSA-N 290.432 3.706 0 40 CHAB C#CCn1cc(/C=C2\SC(=S)N=C2O)c2ccccc21 33595883 AYIZOJOVXZPTCN-JYRVWZFOSA-N 298.392 3.604 0 40 CHAB O=C(c1ccccc1F)N1CCSc2ccccc21 37975169 IKBPFHOZWIVWAV-UHFFFAOYSA-N 273.332 3.578 0 40 CHAB CCN(C(=O)C(=O)c1c[nH]c2ccccc12)C1CCCCC1 38531254 ZKYXCLYMDVVNAD-UHFFFAOYSA-N 298.386 3.532 0 40 CHAB CC(C)Oc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 40122330 YEQFJKWFRLYQBY-ZDUSSCGKSA-N 259.349 3.769 0 40 CHAB Clc1nccc(Nc2cccc(Br)c2)n1 40448066 PPJNGASJYDQDDU-UHFFFAOYSA-N 284.544 3.636 0 40 CHAB COC(=O)c1ccc(Nc2cccc(Cl)c2C)c(N)c1 41080413 NFQSIBGCLWYVAU-UHFFFAOYSA-N 290.750 3.761 0 40 CHAB CCN(Cc1cc(C)on1)Cc1ccccc1Cl 42157226 PCSUTSFTAAUNDF-UHFFFAOYSA-N 264.756 3.659 0 40 CHAB CCCOc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 43209782 RTKQURPJYJBGKY-UHFFFAOYSA-N 298.338 3.632 0 40 CHAB CCCCCC[C@H](CN1CCCC1)N1CCCC1 43752073 BPPURDXHUMCGDJ-MRXNPFEDSA-N 252.446 3.517 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CC[C@@H]1c1ccccc1 45827385 GOPNRLPIQHBHMO-OAHLLOKOSA-N 270.307 3.805 0 40 CHAB CCOc1ccc(C(=O)c2ccc(F)c(C)c2)cc1 55199773 DWZKDJKFDGYTJS-UHFFFAOYSA-N 258.292 3.764 0 40 CHAB Cc1ccc(C2=CS[C@@H]3N=CN=C(NCC(C)C)[C@H]23)cc1 57369756 UYLWGJKSAUBLDY-RDJZCZTQSA-N 299.443 3.711 0 40 CHAB CN(C(=O)CC(c1ccccc1)c1ccccc1)C1CC1 63092457 AUIBOPOIYQCTGB-UHFFFAOYSA-N 279.383 3.829 0 40 CHAB O=C(CC1CCCC1)N[C@H](c1ccccc1)c1ccccn1 69292694 QPPIPWOIZRQBMH-LJQANCHMSA-N 294.398 3.868 0 40 CHAB Cc1cccc([C@H]2CCCN2Cc2ccccc2)n1 72211068 POHOSRLWZRWRET-QGZVFWFLSA-N 252.361 3.727 0 40 CHAB CCCNc1ccc([C@H]2CCCN2CC(C)C)cn1 72213198 FTILUARQIYMTLT-OAHLLOKOSA-N 261.413 3.696 0 40 CHAB CCCCN1CCCC[C@@H]1c1cccnc1S 72217085 KHYHNSPPXWBHPO-CYBMUJFWSA-N 250.411 3.697 0 40 CHAB CCCCN1CCCC[C@H]1c1cnc(NC)c(C)c1 72219005 BWNHDBCHFGQOGQ-HNNXBMFYSA-N 261.413 3.759 0 40 CHAB CCCOc1c(F)cc(F)cc1Br 95915491 AWMCURCPWLIMLI-UHFFFAOYSA-N 251.070 3.516 0 40 CHAB CCCC[C@@H](NC1CCOCC1)c1ccc(OC)cc1 96477076 YYJRKZNHUJMJJR-QGZVFWFLSA-N 277.408 3.695 0 40 CHAB CO[C@H](C)c1nc(Cl)cc(-c2ccc(F)cc2)n1 96529146 VHGGGWKKCGOVGE-MRVPVSSYSA-N 266.703 3.644 0 40 CHAB COc1c2c(c(OC)c3ccccc13)[C@@H]1C=C[C@@H]2C1 100939424 MVNKVWQSNVLBIV-GHMZBOCLSA-N 252.313 3.998 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cnc2ccccc2c1 104688879 OZVTXTLDYZVVBF-KCQAQPDRSA-N 280.371 4.000 0 40 CHAB O=C(O)/C=C/c1cccc(NC(=S)Nc2ccccc2)c1 216928966 KJUFYJFDYQAMCT-MDZDMXLPSA-N 298.367 3.593 0 40 CHAB Cc1ccccc1CNC(=O)c1ccccc1OC(C)C 219732090 VQOCDXGEYCDGKS-UHFFFAOYSA-N 283.371 3.712 0 40 CHAB CC[C@H](C(=O)O)N1c2ccc(C)cc2C(C)=CC1(C)C 223196489 OLWYNWKYUISAEF-CQSZACIVSA-N 273.376 3.860 0 40 CHAB COC(=O)C(C)(C)N1c2ccccc2C(C)=CC1(C)C 223205433 WKGSEJODMLQZIV-UHFFFAOYSA-N 273.376 3.640 0 40 CHAB CCc1ccc(NC(=O)c2ccc(OC)c(COC)c2)cc1 224395909 ANVWIIXMHLPHOG-UHFFFAOYSA-N 299.370 3.656 0 40 CHAB CCCOC(=O)c1ccc(Nc2ccccc2F)c(N)c1 225421988 NGAFWXUDELVWFU-UHFFFAOYSA-N 288.322 3.718 0 40 CHAB CC[C@@H](NC(=S)Nc1cc(C)ccn1)c1ccccc1 225482396 KBTNODSWCPBWAD-CQSZACIVSA-N 285.416 3.828 0 40 CHAB CC[C@H](C)Oc1c(C)cc(NC(=O)C(F)(F)F)cc1C 225588860 SQUBTWIVWNPEQB-JTQLQIEISA-N 289.297 3.982 0 40 CHAB CCOC(=O)c1ccc(C(=O)C(CC)CC)s1 575361724 JSRMYGHJHMQZKW-UHFFFAOYSA-N 254.351 3.544 0 40 CHAB CC(=O)c1coc2ccc(OCCN3CCCCC3)cc12 51629 ATEYYOJGFUAQPB-UHFFFAOYSA-N 287.359 3.500 0 40 CHAB CC(C)Cc1ccc(/C=C/C(=O)N2CCCC2)cc1 122111 PTXGTICIJKJDCX-MDZDMXLPSA-N 257.377 3.521 0 40 CHAB C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1)C(=O)O 297066 BDMDXLRFUPFFHD-XJKSGUPXSA-N 297.354 3.520 0 40 CHAB Cc1ccc(C(=O)Nc2cccnc2Cl)cc1C 338605 SMVNBMDJDJJHAY-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc2ccccc2c1 2378949 VQOKJNORNTYAEF-UHFFFAOYSA-N 270.328 3.756 0 40 CHAB CCOC(=O)c1cccc(C(=O)CCc2ccccc2)c1 2516320 QQJBVNLCYPPKSP-UHFFFAOYSA-N 282.339 3.679 0 40 CHAB Fc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nccc3N2)cc1 2526595 GSGLBLIAPYQJFC-MNOVXSKESA-N 285.244 3.683 0 40 CHAB Cc1sc2nc(CN3CCCCC3)nc(Cl)c2c1C 3296767 NPGUYIWHZCFXDH-UHFFFAOYSA-N 295.839 3.947 0 40 CHAB CC(C)CCNC(=O)c1ncc(Cl)c(Cl)c1Cl 3451613 JHMBBIHYZQDGSK-UHFFFAOYSA-N 295.597 3.818 0 40 CHAB Cc1cnc(NC(=O)C[C@H](C)c2ccccc2)s1 3459659 FGRSIROENMMPIB-JTQLQIEISA-N 260.362 3.584 0 40 CHAB CC(=O)N1c2ccccc2-c2nc3ccccc3n2[C@H]1C 6664778 ZWOOOMQPBDKRQE-NSHDSACASA-N 277.327 3.588 0 40 CHAB COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@H]1C=CCC1 8130116 CMUMYUXKSLACCH-KGLIPLIRSA-N 273.376 3.537 0 40 CHAB Clc1ccccc1CN1CCNc2ccccc21 8699833 XDSOBFNLQWXTGG-UHFFFAOYSA-N 258.752 3.772 0 40 CHAB CCc1cccc(NC(=O)/C=C/c2csc(C)n2)c1 8924430 MRKXPDGZQFHXCN-BQYQJAHWSA-N 272.373 3.666 0 40 CHAB O=C(O)c1cc2ccccc2n1Cc1ccccc1F 9239704 XYDOYFJXQVZCRB-UHFFFAOYSA-N 269.275 3.527 0 40 CHAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccn1 9607508 FUFFJOPIDWRSBC-CQSZACIVSA-N 290.366 3.655 0 40 CHAB CC(=O)Nc1ccc2oc(-c3ccc(C)cc3)cc(=O)c2c1 9659945 FJBJJIMYXIDSJI-UHFFFAOYSA-N 293.322 3.727 0 40 CHAB c1ccc2sc(C3CCN(Cc4ccno4)CC3)nc2c1 10023569 LKAZWTFXHDYAMK-UHFFFAOYSA-N 299.399 3.664 0 40 CHAB Cc1cc(C)c(NC(=O)Cc2noc3ccccc23)c(C)c1 12808524 MIDFCUVQLTUZMV-UHFFFAOYSA-N 294.354 3.934 0 40 CHAB CC(=O)c1cccc(OC(=O)c2ccc(Cl)cc2)c1 12991816 HOSOZAPNSWCUBF-UHFFFAOYSA-N 274.703 3.762 0 40 CHAB CC(C)CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708553 TWAMCZAIDHVOBH-AWEZNQCLSA-N 285.387 3.769 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)c1cccs1 14095810 YVLAWFHTKIPSIW-NSHDSACASA-N 275.398 3.715 0 40 CHAB CC(C)(C)c1ccc(COC[C@H]2CCCNC2)cc1 14631121 XLOVURHAIXGRDA-HNNXBMFYSA-N 261.409 3.500 0 40 CHAB O=C(NC1CCCCC1)N1CCC[C@H]2CCCC[C@H]21 16137825 RGFILLUHHRAWHK-UKRRQHHQSA-N 264.413 3.683 0 40 CHAB Clc1ccc(CNNCc2ccc(Cl)cc2)cc1 19167467 LOPOUEMMDPIGBB-UHFFFAOYSA-N 281.186 3.788 0 40 CHAB C[C@@H]1CCCC[C@H]1N1CCN(Cc2ccccc2F)CC1 19359005 NZOCCSUBAZMUQL-CRAIPNDOSA-N 290.426 3.522 0 40 CHAB C[C@@H](NCc1ccccc1Cl)c1ccc2c(c1)OCO2 19908255 RRHDOGCAQINUEW-LLVKDONJSA-N 289.762 3.920 0 40 CHAB O=C(NCCc1cccs1)c1occc1-c1ccccc1 22620214 BWLABCBCZKYEML-UHFFFAOYSA-N 297.379 3.981 0 40 CHAB CC(C)=CC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 22833381 IHLZZQZRPYWBLB-UHFFFAOYSA-N 286.297 3.676 0 40 CHAB Cc1ccc(C(=O)NCc2nc3ccccc3s2)cc1 27562047 IWYLWORARFOJGG-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3ccccn3)no2)cc1C 27989386 KJRYDMVICANAIM-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 28817532 WTPSGAGGBLVYRS-UHFFFAOYSA-N 269.053 3.975 0 40 CHAB CC(C)c1nc(CC(=O)Nc2ccccc2F)cs1 31664521 MANWJWRDDFVGPM-UHFFFAOYSA-N 278.352 3.587 0 40 CHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccco1 32779638 MTBHWZGSFFUPLE-LLVKDONJSA-N 292.766 3.836 0 40 CHAB COc1ccc(C)cc1NC(=O)N(C)Cc1ccsc1 40526023 HYFVLBAHCYQUIB-UHFFFAOYSA-N 290.388 3.729 0 40 CHAB C[C@@H](CC(=O)Nc1ccc(CCO)cc1)CC(C)(C)C 40715242 GBIIWAIAVUFQAA-ZDUSSCGKSA-N 277.408 3.622 0 40 CHAB O=C(O)c1cc(C2CC2)nc2c(F)ccc(Cl)c12 41656116 VJIGCGJJGNZWMV-UHFFFAOYSA-N 265.671 3.603 0 40 CHAB C[C@@H](CC(=O)O)CC(=O)c1cccc2ccccc12 43214221 QGZMTTKGJGSGSJ-LLVKDONJSA-N 256.301 3.523 0 40 CHAB CN(C(=O)CSc1ccc(Cl)cc1)C1CCCC1 44901512 QBXHOHDNCUOCHC-UHFFFAOYSA-N 283.824 3.833 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)c1cncc2ccccc12 45028933 AJQXZXKHOTWALW-UHFFFAOYSA-N 287.240 3.883 0 40 CHAB CCN(C(=O)c1ccc(F)cc1F)c1ccccc1 47219795 ZQJXTXRIMIISQB-UHFFFAOYSA-N 261.271 3.632 0 40 CHAB CCc1cc2c(Oc3ccc(C)nc3)ncnc2s1 49099798 CIZCHVKOJKHTBB-UHFFFAOYSA-N 271.345 3.749 0 40 CHAB Cc1cc(C)cc(Cn2nc(-c3ccccc3)ccc2=O)c1 52892722 SNGPQSWVUMJSKE-UHFFFAOYSA-N 290.366 3.575 0 40 CHAB Cc1ccc(NC(=S)NCCCOC2CCCC2)cc1 57815630 JQZTYHAAMOSICS-UHFFFAOYSA-N 292.448 3.631 0 40 CHAB Cc1ccc(SCCNC(=O)Cc2cccs2)cc1 61046470 CANPMWTWCBXSNW-UHFFFAOYSA-N 291.441 3.508 0 40 CHAB CN(C)[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 62124635 JYALUUFTEJQMCC-HNNXBMFYSA-N 288.778 3.581 0 40 CHAB CCc1nc2c(C)cccn2c1C(=O)N1CCCC[C@H]1CC 71460496 KEYIYWQBLJIJSA-CQSZACIVSA-N 299.418 3.610 0 40 CHAB Brc1cccnc1SCc1cccnc1 71914322 VLPIAEMBXPJVAJ-UHFFFAOYSA-N 281.178 3.531 0 40 CHAB CC(C)CN1CCC[C@H]1c1cccnc1OC(C)C 72211963 FRCYRFSDMRZTJJ-HNNXBMFYSA-N 262.397 3.662 0 40 CHAB CC(C)N(c1ccc([C@H]2CCCCN2C)cn1)C(C)C 72212971 NSIKWAUSYNIPQK-MRXNPFEDSA-N 275.440 3.862 0 40 CHAB Cc1ncc(Cl)c(Br)c1Br 95949856 ZMERKXRIFIBBJI-UHFFFAOYSA-N 285.366 3.568 0 40 CHAB CC1(C)CCN(C(=O)c2ccco2)c2ccccc21 96100828 ISGPPQXHDIUWQO-UHFFFAOYSA-N 255.317 3.608 0 40 CHAB CS[C@H](C)c1nc(-c2ccc(Br)o2)no1 98016370 LPMAVJQJZKGPMV-RXMQYKEDSA-N 289.154 3.516 0 40 CHAB Cn1c(=O)c(-c2cccc(Cl)c2)c(O)c2ccccc21 100631237 ZFUYYBNODMBJPS-UHFFFAOYSA-N 285.730 3.565 0 40 CHAB CCN1C(=O)[C@H](Cc2cccc(C)c2)c2ccccc21 101013895 QRDHNOAJNMUIJB-MRXNPFEDSA-N 265.356 3.688 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102593427 KHRSAXBMJLFWDF-KWBADKCTSA-N 294.192 3.824 0 40 CHAB CC/N=C1\S/C(=C/c2ccccc2Cl)C(=O)N1CC 109596721 KEBDHNBHNYNNIX-XATUQZFKSA-N 294.807 3.652 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1ccccc1CC 109769405 RGJIZDMHBLYLFP-UHFFFAOYSA-N 284.359 3.752 0 40 CHAB Cc1c(N)cccc1-c1noc(-c2ccc(Cl)cc2)n1 140341474 VHDNAGGJUQYUMC-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB CCCCCNC(=O)COc1cc(C)ccc1C(C)C 224426616 AVJLXQSWPNSKLU-UHFFFAOYSA-N 277.408 3.804 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)C(C)C 225216699 ZBIKAGZTTCKHOA-DGCLKSJQSA-N 283.799 3.658 0 40 CHAB CCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC)c(C)c1 225620473 NGERJSWVMOVJTD-QGZVFWFLSA-N 293.407 3.846 0 40 CHAB CCOC(=O)Nc1ccc(C(C)C)c(NC(=O)OCC)c1 255188743 LGLYQADOHQZFIL-UHFFFAOYSA-N 294.351 3.947 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCc2sc(Cl)cc2C1 335443079 XSVJDHULBOLWRB-SNVBAGLBSA-N 281.808 3.643 0 40 CHAB Cc1cccc(C(=O)COCc2ccccc2)c1C 382710115 XLFWJADDDIGVGA-UHFFFAOYSA-N 254.329 3.703 0 40 CHAB Cc1cccc2sc(N3CC(C(F)(F)F)C3)nc12 892899375 KLENQRDSKWWLNR-UHFFFAOYSA-N 272.295 3.603 0 40 CHAB CCCCOc1ccc2cc(C3CNC3)ccc2c1 1857794138 VLPSFCYUANZZGH-UHFFFAOYSA-N 255.361 3.706 0 40 CHAB CCCc1ccc(Br)cc1O[C@@H]1CCCOC1 1562034 XEVVHZCELAIQOA-CYBMUJFWSA-N 299.208 3.959 0 40 CHAB Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccccn1 1685129 KWPRKXDMQWZUCB-UHFFFAOYSA-N 261.348 3.642 0 40 CHAB Cc1ccc2c(Br)c(Cl)ccc2n1 1710741 AFRCIAQUASVGNF-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB C[C@H]1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1 1734793 SORJRIYVSQTPMJ-CZUORRHYSA-N 266.340 3.628 0 40 CHAB CCCCOc1ccc(C(=O)c2ccccc2)c(O)c1 2018914 IADJBCIKCXGXDN-UHFFFAOYSA-N 270.328 3.802 0 40 CHAB CC(=O)c1ccc(-c2ccc(Br)cc2)o1 3195412 YUKLQPFNXLGHQA-UHFFFAOYSA-N 265.106 3.912 0 40 CHAB CN(Cc1cccs1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 105699348 WYFOSPJVXPSNBP-RWMBFGLXSA-N 263.406 3.533 0 40 CHAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NCCC1=CCCCC1 103584898 VAUVHWYRAVWBMF-OAGGEKHMSA-N 261.409 3.819 0 40 CHAB CC(C)CN(CC(C)C)C(=O)[C@@H]1C[C@@H]1c1ccccc1 1480391 VPCWQGLHGNIBCI-IAGOWNOFSA-N 273.420 3.931 0 40 CHAB COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@H]4[C@H]5[C@@H]3[C@@]13CC=CC[C@]53[C@H]24 104289869 BYMOLZMTZMIORZ-MRRNPJEZSA-N 292.378 3.727 0 40 CHAB O=C(CCC(=O)c1cccs1)NC1CCCCCC1 3246957 LDPGGSHDXVGXSN-UHFFFAOYSA-N 279.405 3.550 0 40 CHAB CCCCCC(=O)Nc1ccc(Oc2ncccn2)cc1 48202764 ZRQOTHRAOMOVDI-UHFFFAOYSA-N 285.347 3.788 0 40 CHAB C[C@H](NC(=O)c1ccccc1F)c1ccc2c(c1)CCC2 53387384 JXYGEZUFHMGIQH-LBPRGKRZSA-N 283.346 3.805 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1 2242940 OOPDHVNHCPWRCK-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB Cc1ccoc1C(=O)NCCOc1ccc(C(C)C)cc1 48374805 LJABGTBLMHXNQO-UHFFFAOYSA-N 287.359 3.520 0 40 CHAB CCNc1ncnc2scc(-c3ccccc3)c12 2640302 ZNEUJFOYYQFADJ-UHFFFAOYSA-N 255.346 3.790 0 40 CHAB Cc1ccc2nc(NC(=O)C[C@@H]3C=CCC3)sc2c1 13005783 KTQQAYZROCNIBC-LLVKDONJSA-N 272.373 3.900 0 40 CHAB O=C(O)c1c(-c2ccc(Cl)cc2)cn2ccccc12 4085164 JJZKBDIEKNWMME-UHFFFAOYSA-N 271.703 3.958 0 40 CHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccccc1 5558143 JVOLEOIEIVIXJI-UHFFFAOYSA-N 294.379 3.991 0 40 CHAB Cc1ccc(C)c(NC(=O)CCN2C[C@@H](C)C[C@H](C)C2)c1 4743749 SNFXETNYWHPWJA-GJZGRUSLSA-N 288.435 3.610 0 40 CHAB Cc1sc(NC(=O)c2ccccc2)c(CN(C)C)c1C 4866184 QPOYSNKDKSRNOC-UHFFFAOYSA-N 288.416 3.679 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2F)c2ccccc2n1 9256793 LJTHFXMTLMXYHP-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB CN(Cc1csc2ccccc12)C(=O)Nc1ccccn1 67299520 XIAQXAMROUJBKW-UHFFFAOYSA-N 297.383 3.960 0 40 CHAB Cc1ccc(N)cc1NC(=O)c1ccc(OCC(C)C)cc1 19736109 JUCRTCOTIWNHBZ-UHFFFAOYSA-N 298.386 3.864 0 40 CHAB Cc1cc(C(C)(C)C)cc(C)c1CSC(=N)N 7715652 ISCUEMHMVFELKM-UHFFFAOYSA-N 250.411 3.728 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)NC2CCCCCC2)n1 7816966 BNJISSKNPUWPQS-NSHDSACASA-N 298.477 3.771 0 40 CHAB CCC(C)(C)NCC(=O)Nc1cccc2ccccc12 9494806 VFOZKRKCCIKIQT-UHFFFAOYSA-N 270.376 3.557 0 40 CHAB Cc1cnn(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 16991767 PNTHOAPDJXHDKS-UHFFFAOYSA-N 270.119 3.579 0 40 CHAB CC(C)(O)c1cccc(NC(=O)CCC2CCCC2)c1 97117376 IVSLFZYSUJGITQ-UHFFFAOYSA-N 275.392 3.823 0 40 CHAB Fc1cccc(CSc2nsc(Cl)n2)c1 71980822 ZSVCGPWTQPAMEH-UHFFFAOYSA-N 260.746 3.623 0 40 CHAB O=C(NC1CCCCC1)c1ccc2oc(Cl)nc2c1 225974636 HYUDLYVQPJJDGE-UHFFFAOYSA-N 278.739 3.544 0 40 CHAB CCCCOc1c(C=O)cc(Cl)cc1OCC 225274463 QFEBOTYYXJQVMT-UHFFFAOYSA-N 256.729 3.730 0 40 CHAB CCc1ccc(CC(=O)NC[C@@H](C)c2ccccc2)cc1 225135867 ZCUDHYFRSMZOLY-OAHLLOKOSA-N 281.399 3.711 0 40 CHAB CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(N)cc21 44563575 IJCDSQPIXLEJKO-UHFFFAOYSA-N 276.380 3.692 0 40 CHAB CC[C@H](CNC(=S)Nc1ccncc1)Cc1ccccc1 225634087 ACDWRELTIRKVGR-AWEZNQCLSA-N 299.443 3.637 0 40 CHAB CNCc1cc(C)n(Cc2ccc(Cl)cc2)c1C 223664424 LOWAQTULSZDRMV-UHFFFAOYSA-N 262.784 3.526 0 40 CHAB CCCNC(=O)N[C@H](c1ccccc1)c1ccccc1C 225773499 QZKLAPVPMSMRQA-QGZVFWFLSA-N 282.387 3.794 0 40 CHAB CCN(CC)C(=O)Nc1cccc(Oc2ccccn2)c1 96435613 FWWMRWOQPRFXDJ-UHFFFAOYSA-N 285.347 3.748 0 40 CHAB COc1cccc(-c2n[nH]c([C@H](C)c3ccccc3)n2)c1 642882619 UNGVWRRTIPKJBO-GFCCVEGCSA-N 279.343 3.632 0 40 CHAB Fc1ccccc1CCNCc1c(F)cccc1Cl 16449517 FTWBPHCZFFLUQM-UHFFFAOYSA-N 281.733 3.951 0 40 CHAB c1ccc(C2CC3(C2)CN(c2cc(C4CC4)ncn2)C3)cc1 1776000669 DYZACMUGDZHNQF-UHFFFAOYSA-N 291.398 3.738 0 40 CHAB CC[C@@H]1CC[C@H](C(=O)Nc2ccc(SC)c(Cl)c2)O1 84735453 LOZZKPFOIOPMNN-ZYHUDNBSSA-N 299.823 3.958 0 40 CHAB O=c1oc2c(O)cccc2cc1-c1nc2ccccc2s1 5605093 KJPUTVGFFPPVJE-UHFFFAOYSA-N 295.319 3.775 0 40 CHAB O=C1C[C@H]2[C@@H](CCC23OCCO3)c2ccc3ccccc3c21 1708674 ZMESGXPQBUTYGV-HOCLYGCPSA-N 294.350 3.663 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)c2C)c1C 429459 YKCDPFIQLZCOIP-UHFFFAOYSA-N 284.359 3.703 0 40 CHAB Cc1nc(NC(=O)OC(C)(C)C)ccc1C(F)F 1942116954 ZAIDMXJQNCPRJZ-UHFFFAOYSA-N 258.268 3.675 0 40 CHAB CCC(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C 4057602 BMBUAGHYIDMJNF-UHFFFAOYSA-N 272.392 3.539 0 40 CHAB Cc1ccc(-n2nc(C)c(CCC(C)C)c2O)cc1 100070138 WIZSKSVILLJOFQ-UHFFFAOYSA-N 258.365 3.783 0 40 CHAB Cc1ccc(C2=C[C@@H](c3cccs3)n3ncnc3N2)cc1 100869432 MXJCMDINMJTHMO-AWEZNQCLSA-N 294.383 3.704 0 40 CHAB CC[C@H](C)N1C(=O)N(c2ccccc2)[C@@](C)(O)CC1(C)C 491452 SVKHWMUHEZPJOS-GUYCJALGSA-N 290.407 3.604 0 40 CHAB CCN(CC)c1ccc2c(=O)cc(C(C)(C)C)oc2c1 576843 CFJMBWHDWMQHDJ-UHFFFAOYSA-N 273.376 3.937 0 40 CHAB O=C(NC1CCC(c2ccccc2)CC1)c1cccnc1 877363 PNYFXLLUSAIPJS-UHFFFAOYSA-N 280.371 3.538 0 40 CHAB CC1(C)CC(=O)C(C)(CCc2ccccc2)C(=O)C1 1610546 IORULPWMUHEAIR-UHFFFAOYSA-N 258.361 3.584 0 40 CHAB COc1ccc2cc(C(=O)C(F)(F)Cl)ccc2c1 2014814 OHHFNSUASFABJR-UHFFFAOYSA-N 270.662 3.863 0 40 CHAB Nc1nc2c(s1)COc1c(Cl)cc(Cl)cc1-2 3135523 ZGBZDPUJTMQISO-UHFFFAOYSA-N 273.144 3.592 0 40 CHAB CN(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12 4003073 MRNQMYQVAKMUSY-UHFFFAOYSA-N 285.778 3.716 0 40 CHAB CCCCC(=O)Nc1nc2c(s1)COc1ccccc1-2 4223929 UJHXPYHXTJWJRV-UHFFFAOYSA-N 288.372 3.831 0 40 CHAB CCCCCCN1C2=NCCCN2c2ccccc21 4859437 DEKARAJCSHYCLR-UHFFFAOYSA-N 257.381 3.653 0 40 CHAB CCn1c(-c2ccc3c(c2)c(C)c(C)n3C)n[nH]c1=S 5445085 PLKJWGUKGBSQHQ-UHFFFAOYSA-N 286.404 3.736 0 40 CHAB O=C(OCc1ccccc1)c1cc2ccccc2[nH]1 5531695 GBVAGZMJJSANDQ-UHFFFAOYSA-N 251.285 3.525 0 40 CHAB CCOC(=O)[C@H]1CC12c1ccccc1-c1ccccc12 5575537 ZGLGCCUGERDNKB-MRXNPFEDSA-N 264.324 3.536 0 40 CHAB CCCCCNC(=O)CSc1ccc(Cl)cc1 6597201 FSHMPZWKNJXNDQ-UHFFFAOYSA-N 271.813 3.739 0 40 CHAB Cc1occc1C(=O)OCc1coc(-c2cccs2)n1 7850660 UZTXXKYLHKXWNY-UHFFFAOYSA-N 289.312 3.662 0 40 CHAB Nc1ccccc1-c1nc(-c2ccccc2Cl)no1 8701895 GTHONJVPKRUJNM-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB Cc1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1 9970561 QMBMJMZRZHHKFE-UHFFFAOYSA-N 257.333 3.722 0 40 CHAB Cc1cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)no1 12027549 OSHGSHFDIKCPRY-ZDUSSCGKSA-N 286.375 3.924 0 40 CHAB Cc1noc([C@H](C)Sc2nc3ccccc3s2)n1 12876402 KTSGUTVVNGJQBQ-ZETCQYMHSA-N 277.374 3.841 0 40 CHAB c1ccc2c(c1)CC[C@@H]2Nc1ncnc2sccc12 12889374 RDLKCTFCPATGON-ZDUSSCGKSA-N 267.357 3.791 0 40 CHAB CC1(C)C[C@@]2(C)C[C@@H]1CN(C(=O)Nc1ccccc1)C2 13576465 UJPWYKJLSULERI-CXAGYDPISA-N 272.392 3.977 0 40 CHAB Cc1cccc(NC(=S)N(C)C2CCCCC2)c1 13684467 CMVKCWHNXRHYTH-UHFFFAOYSA-N 262.422 3.956 0 40 CHAB CCc1ccccc1NC(=S)NC(C)(C)CC 13823531 GSXAVYDTRJDWGL-UHFFFAOYSA-N 250.411 3.724 0 40 CHAB C[C@H](NC(=O)c1ccccn1)c1ccc2ccccc2c1 14424685 IHOCXTRIKARHCW-ZDUSSCGKSA-N 276.339 3.726 0 40 CHAB COc1ccc(-c2cn3ccccc3n2)cc1Cl 16751959 GKVWOBJXXPYAET-UHFFFAOYSA-N 258.708 3.663 0 40 CHAB O=C1CS[C@@H](c2cccc(Cl)c2)N1c1nccs1 19927176 NPZKYONYQOCQEB-NSHDSACASA-N 296.804 3.575 0 40 CHAB CCc1ccc2oc(-c3ccc(O)c(OC)c3)cc(=O)c2c1 20272626 ULIMZNDSFOCZNP-UHFFFAOYSA-N 296.322 3.737 0 40 CHAB CC(C)[C@@H](C)NCc1ccc(Br)cc1 20305319 UCQUNOICIBLDPY-SNVBAGLBSA-N 256.187 3.583 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)NC(C(C)C)C(C)C 20484954 VROUODLSBNIZQK-INIZCTEOSA-N 291.435 3.949 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)NCCC1CCCC1 32779645 NANIFCJUNRKDHU-HNNXBMFYSA-N 288.435 3.887 0 40 CHAB C[C@H]1c2ccsc2CCN1C[C@H](O)c1ccccc1F 40071617 XVNKBBUKWDENTD-NHYWBVRUSA-N 291.391 3.540 0 40 CHAB Cc1occc1C(=O)Nc1nc(-c2ccco2)cs1 40111458 IABIYLWSAPMMAN-UHFFFAOYSA-N 274.301 3.557 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC1CCCCCC1 44843458 XNNOUSPTPKGSHE-INIZCTEOSA-N 293.382 3.822 0 40 CHAB CC(C)(C)c1nnc(CN2CCC[C@@H]2c2ccsc2)o1 44937878 PSDJZLOFZUUMQQ-GFCCVEGCSA-N 291.420 3.766 0 40 CHAB CCC(=O)Nc1cc(Cl)c2nc(N)sc2c1Cl 45891498 VRDFNMUFZVGISA-UHFFFAOYSA-N 290.175 3.534 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2-n2cccn2)C1 48151654 LFXLFKJSADVSEQ-UONOGXRCSA-N 298.390 3.573 0 40 CHAB Cn1ncc2c1N=C(O)C[C@H]2c1ccccc1C(F)(F)F 49544263 IRWVQVACLHUQSH-VIFPVBQESA-N 295.264 3.563 0 40 CHAB Cc1c(Cl)ccc2sc(NCCCN(C)C)nc12 56900942 DLIBJXKCLWNZLK-UHFFFAOYSA-N 283.828 3.622 0 40 CHAB Fc1cc2nc(Cl)c(Cl)nc2cc1Cl 62152710 NDYATAUOZJAIEF-UHFFFAOYSA-N 251.475 3.729 0 40 CHAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(F)c1 71282539 FNAXAOLDQLBGNP-LBPRGKRZSA-N 273.311 3.727 0 40 CHAB CN(c1ccccc1)c1ccc([C@@H]2CCCCN2)cn1 72214210 DHVCRWDBVBCLIM-INIZCTEOSA-N 267.376 3.664 0 40 CHAB CCSc1ccc([C@H]2CCCCN2CC)cn1 72217137 ASXFAWIRLBQIDB-CYBMUJFWSA-N 250.411 3.741 0 40 CHAB CC(C)[C@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 79070416 NFIQJVPDWVDDDO-HOCLYGCPSA-N 289.444 3.522 0 40 CHAB CCOC(=O)c1cc(C)c(O[C@@H](C)CC)c(C)c1 95095325 HJHKPBGFYBLHAS-LBPRGKRZSA-N 250.338 3.657 0 40 CHAB C[C@@H]1CCCN(c2ccc(Br)cc2)C1 95915748 GBFUJWXQZRMJGP-SNVBAGLBSA-N 254.171 3.685 0 40 CHAB C[C@@H](NCc1ccc(Oc2ccccc2)o1)[C@@H]1CCOC1 96500131 UJIQJUPLJAYXKB-ZIAGYGMSSA-N 287.359 3.587 0 40 CHAB CCc1c(N[C@H](C)c2ccccn2)cnn1CC(C)C 97038717 BQQYZWJAIWFPPI-CYBMUJFWSA-N 272.396 3.670 0 40 CHAB Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c(C)c1 102264397 WWTDKXYTWWGNJK-SOUVJXGZSA-N 255.361 3.763 0 40 CHAB CCN(C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1cc(C)ccc1C 102396698 BRNQQJJIRLGMBT-JYJNAYRXSA-N 269.388 3.869 0 40 CHAB Cc1nc(C2=C(O)CN(c3ccccc3)C2=N)sc1C 102733528 YGWOKEBZUOTTBY-UHFFFAOYSA-N 285.372 3.527 0 40 CHAB CNCc1ccccc1Oc1ccc(F)c(Cl)c1 104430042 QRSJHNAKKOFQIN-UHFFFAOYSA-N 265.715 3.991 0 40 CHAB O=C1CCC2(CC1)CCc1cc(Br)ccc12 118458407 FFAJOEHSAPRPGA-UHFFFAOYSA-N 279.177 3.776 0 40 CHAB Cc1cccc(NC(=O)Cc2ccc(Cl)cc2F)c1 169831116 CCECUAHWHAXSFR-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CC(C)[C@H](C(=O)O)N1c2ccccc2[C@@H](C)CC1(C)C 223209659 DQKMNBVHPPVOCK-SWLSCSKDSA-N 275.392 3.888 0 40 CHAB Cc1cccc(O[C@H](Cc2ccc(C)cc2C)C(=O)O)c1 225024992 VYGKTZJMVXOLEI-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB O=C(O)C1(c2cc3ccccc3cc2Br)CC1 575629287 OPZMOOMOIVCSHU-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB O=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1 58096 QIMAXWFBDUTNFD-UHFFFAOYSA-N 272.687 3.819 0 40 CHAB biogenic,in-vitro O=C(CSCc1ccc(F)cc1)NC1CCCCCC1 262631 HEUKMYRMDUIRBH-UHFFFAOYSA-N 295.423 3.898 0 40 CHAB COc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 266020 LFNAWYHFUBCOCK-UHFFFAOYSA-N 270.259 3.608 0 40 CHAB CCN(CC)c1ccc(NC(=O)CC(C)C)c(C)c1 568407 MCFTYKJOWKTSAV-UHFFFAOYSA-N 262.397 3.826 0 40 CHAB c1ccc(-c2nnc(-c3ccco3)n2-c2ccncc2)cc1 1425319 ZNQINHBAYPDXRC-UHFFFAOYSA-N 288.310 3.589 0 40 CHAB C[n+]1ccc(/C=C/c2ccc(O)c3ccccc23)cc1 1713039 RAMJSMYFUWBUPM-UHFFFAOYSA-O 262.332 3.540 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc3c(s2)CCCC3)C1 3172768 BUELXSQUPNGNNR-RYUDHWBXSA-N 277.433 3.745 0 40 CHAB CCOC(=O)c1ccc2c(O)c(-c3ccccc3)[nH]c2c1 3845129 LUQYLDWEJJDJGH-UHFFFAOYSA-N 281.311 3.717 0 40 CHAB COc1cccc(C(=O)CSc2nc3ccccc3[nH]2)c1 4550779 PJHCSYGNIVVUNP-UHFFFAOYSA-N 298.367 3.547 0 40 CHAB CCSc1ccccc1C(=O)N1CCC[C@H](C)C1 5244478 IGRHPWURLDDQTE-LBPRGKRZSA-N 263.406 3.671 0 40 CHAB C[C@H](NC(=O)c1ccc(F)cc1)[C@@H]1CC2CCC1CC2 5515657 UBWAPIJEWRMFDH-ITDKRANNSA-N 275.367 3.770 0 40 CHAB O=C(Nc1ccc(F)c(F)c1F)c1cc(F)cc(F)c1 6224364 VMBDQPXSRMXYNA-UHFFFAOYSA-N 287.187 3.634 0 40 CHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(C)c2)c1 6235876 YAHXGAZAGVSVEP-UHFFFAOYSA-N 297.354 3.651 0 40 CHAB C[C@H](NC(=O)C(C)(C)C)C12CC3CC(CC(C3)C1)C2 7265273 SLWUBSADFSFVQD-GVMDUPDNSA-N 263.425 3.754 0 40 CHAB CCc1cccc(NC(=O)c2c(C)noc2C(C)C)c1 7278331 MGCAKHQXTVLIJX-UHFFFAOYSA-N 272.348 3.921 0 40 CHAB Cc1cccc(NC(=O)[C@H](C)Sc2ccccn2)c1 7699568 SCUPZQVFPYNTOO-LBPRGKRZSA-N 272.373 3.509 0 40 CHAB CNc1ncnc2scc(-c3ccc(F)cc3)c12 8147703 LVQBPFCNJXQCCV-UHFFFAOYSA-N 259.309 3.539 0 40 CHAB O=Cc1ccc(OCCCN2CCCc3ccccc32)cc1 8703243 PLJNCUZRBDPYFI-UHFFFAOYSA-N 295.382 3.721 0 40 CHAB C[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccccc2)no1 12536590 CLEDCRJYXDGVSD-CYBMUJFWSA-N 291.354 3.688 0 40 CHAB O=C(NCc1ccccc1)N[C@H](c1ccccc1)C1CC1 12783682 SOSZDQRUMWLKQQ-QGZVFWFLSA-N 280.371 3.637 0 40 CHAB O=C(NC[C@@H]1CCCc2ccccc21)c1ccsc1 12933038 ZGNMKOMCTBPOHD-ZDUSSCGKSA-N 271.385 3.598 0 40 CHAB O[C@@H](Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 13729988 IXJFAZPPIDOJGE-FQEVSTJZSA-N 295.426 3.502 0 40 CHAB CC[C@@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 13820865 SPAHWOQROXSSJZ-MRVPVSSYSA-N 276.327 3.790 0 40 CHAB S=C(Nc1ccccc1-c1ccccc1)NC1CC1 13841491 RXCIHHZCBHOGPB-UHFFFAOYSA-N 268.385 3.802 0 40 CHAB Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 19265550 FLJAAXBAEURGPD-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB COc1cccc2cc([C@@H](C)NCc3ccccn3)oc12 20091773 UKERCNWJNKVQEA-GFCCVEGCSA-N 282.343 3.687 0 40 CHAB Cc1ccc(CN(C)C(=O)c2ccc(C)cc2)cc1 20453589 RZKVFKYENOXTEE-UHFFFAOYSA-N 253.345 3.576 0 40 CHAB CCc1ccc(C(=O)NC(=S)Nc2cccc(C)c2)cc1 21596416 TWFLEOQUWNYTRU-UHFFFAOYSA-N 298.411 3.684 0 40 CHAB C[C@H](c1cccc(OCc2ccccc2)c1)N(C)C 22051338 KSGZYOKUQUKFBY-CQSZACIVSA-N 255.361 3.888 0 40 CHAB in-vitro CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)C 30859628 BHCXACHDVIMSGF-MRXNPFEDSA-N 285.387 3.912 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CCC2)c1C 31113847 LPZBTNHRYIHQQS-CYBMUJFWSA-N 286.375 3.638 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(C2CC2)n[nH]1 31938429 MNUPNXAJASDKND-UHFFFAOYSA-N 295.264 3.558 0 40 CHAB N=C(O)[C@H](c1ccccc1)N(Cc1cccs1)C1CC1 32777916 USNZTAHRJYQLPM-HNNXBMFYSA-N 286.400 3.989 0 40 CHAB CCOc1cccc(C=O)c1OCc1ccc(C)cc1 36672348 HWFXGXPKRYVPIM-UHFFFAOYSA-N 270.328 3.785 0 40 CHAB Cc1cc(N(C)C)ccc1NC(=O)c1sccc1C 40111573 PWWIBJNCZBPRKM-UHFFFAOYSA-N 274.389 3.683 0 40 CHAB Cc1ccc(-c2noc(-c3cccc(N)c3C)n2)cc1 45894373 MIPWUSCIFIOBPU-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1ccccn1 46960823 DZZROHGDKXBUJF-CYBMUJFWSA-N 299.374 3.818 0 40 CHAB CCc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 48413059 NCRFCEWSXUPXCF-KRWDZBQOSA-N 265.356 3.666 0 40 CHAB Fc1ccc(-c2cc(SCc3ccccn3)ncn2)cc1 49026044 JXKFNPSWOAGRSJ-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB Cc1cc(C)cc(CSCC(=O)NC2CCCC2)c1 57688917 GKOUZRUDAWXTFC-UHFFFAOYSA-N 277.433 3.595 0 40 CHAB O=[S@@](Cc1ccccc1)Cc1ccc(Cl)cc1 58131504 JWBPNABELLAWOA-QGZVFWFLSA-N 264.777 3.789 0 40 CHAB Cc1cc(CN(C)[C@H](C)c2cccnc2)ccc1F 65371591 MMUFQJTWMFVURQ-CYBMUJFWSA-N 258.340 3.722 0 40 CHAB c1ccc([C@H]2CCN(Cc3cc(-c4ccco4)on3)C2)cc1 69899150 KUXDSAVADDVKDC-HNNXBMFYSA-N 294.354 3.924 0 40 CHAB Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)n1 71977679 WUNILGZEMZGTRF-UHFFFAOYSA-N 283.281 3.671 0 40 CHAB CCOC(=O)c1cc(-c2cc(Cl)ccc2Cl)[nH]n1 71978727 JKVHXZVNQCIEOM-UHFFFAOYSA-N 285.130 3.560 0 40 CHAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccncc1 72211053 BYLYKUYMXTUTQK-QGZVFWFLSA-N 296.370 3.945 0 40 CHAB CCCN1CCCC[C@@H]1c1cccnc1OC(C)C 72211977 XBPAHAWJYVGVIN-OAHLLOKOSA-N 262.397 3.806 0 40 CHAB CC[C@@H](C)Nc1ccc([C@@H]2CCCN2C(C)C)cn1 72213503 OBRGPSBTKPREKR-HIFRSBDPSA-N 261.413 3.837 0 40 CHAB CCCCC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl 84742870 XFBDOGVTXQEQIJ-DGCLKSJQSA-N 251.757 3.502 0 40 CHAB COc1ccc(Cl)cc1[C@@H](C)NCc1ccco1 89904575 BDNKBAFYFNNRNX-SNVBAGLBSA-N 265.740 3.792 0 40 CHAB Cc1c(NCc2cccnc2)cccc1OC(F)F 95429004 MWXPOOUZDIKHMJ-UHFFFAOYSA-N 264.275 3.604 0 40 CHAB CC(C)(c1cc(-c2cnc(N)s2)ccn1)C(F)(F)F 95629740 JMRDKEXLAAFMLW-UHFFFAOYSA-N 287.310 3.627 0 40 CHAB CCn1nc(C)c2nc(C)nc(Nc3ccc(C)cc3)c21 96193138 OKWZJOJTXRBYOL-UHFFFAOYSA-N 281.363 3.515 0 40 CHAB CC12C3[C@H]4C[C@H]5C6[C@@H]7C[C@@H]3[C@H]3[C@H]7[C@H]7C(C8[C@@H]1[C@H]4[C@H]5[C@@H]8[C@@]67C)[C@H]32 104294451 GIOLPCYFILVKLC-WJDHRHJNSA-N 290.450 3.774 0 40 CHAB CC(C)C(NC(=O)c1cc2ccccc2o1)C(C)C 113958978 JJLOBFFZQRQGEJ-UHFFFAOYSA-N 259.349 3.843 0 40 CHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccon2)o1 121039782 TZYBRCHYEXBKDC-ZYHUDNBSSA-N 289.335 3.581 0 40 CHAB Cc1c(Br)cc(Cl)c(O)c1Cl 143349860 SQCAINOXUYGYKI-UHFFFAOYSA-N 255.926 3.770 0 40 CHAB Cc1cccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)c1 216949892 AKZOALBWZSRWLY-UHFFFAOYSA-N 293.322 3.645 0 40 CHAB CCOc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 222722245 SXPCLIMNVRBWQT-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB Cc1ccc([C@H](C)NC(=O)COc2cccc(C)c2C)cc1 222819818 HOYWEKGTSZJNKM-INIZCTEOSA-N 297.398 3.868 0 40 CHAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C)cc2C)cc1 222827825 RBPFJSUGOANBRW-INIZCTEOSA-N 297.398 3.868 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)C(C)C 225217160 QIYPAQSTOFVEOV-GOEBONIOSA-N 277.408 3.622 0 40 CHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1ccco1 240068170 SLPXYDYAUGQHIY-ZDUSSCGKSA-N 295.338 3.786 0 40 CHAB O=C(CCCCl)c1cc(F)c(Cl)c(F)c1 382675042 MTEGYCDNJGULEN-UHFFFAOYSA-N 253.075 3.820 0 40 CHAB O=C(c1ccc(F)cc1Cl)C(F)(F)C(F)(F)F 575242704 DCGATRDSEFRYMY-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB O=C(CC1CC1)N[C@H](c1ccsc1)c1cccs1 575414942 SMEPYJBVWNDBDX-CQSZACIVSA-N 277.414 3.815 0 40 CHAB O=C(NCc1ccc(C2CC2)nc1)c1ccc(Cl)s1 618254155 JRDIRGLEBHGQCI-UHFFFAOYSA-N 292.791 3.604 0 40 CHAB Cc1cc(NC(=O)C2CCc3ccccc3CC2)cnc1C 1533660875 BKSXIIGDKPBIDL-UHFFFAOYSA-N 294.398 3.832 0 40 CHAB O[C@H](c1cccc(-c2ccccc2)c1)C(F)(F)F 1857793247 WSWHSYRVPBWPPI-CYBMUJFWSA-N 252.235 3.949 0 40 CHAB Nc1ccccc1SCc1cc(F)cc(F)c1 165565 FUUBNJMIVAYCFQ-UHFFFAOYSA-N 251.301 3.839 0 40 CHAB CCN(CC)C[C@@H](O)c1ccc(C2CCCC2)cc1 347578 OTUPOONJCYPSTC-QGZVFWFLSA-N 261.409 3.719 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccccc1 364941 DECORNFPFKATTI-HUUCEWRRSA-N 283.371 3.640 0 40 CHAB COc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1OC 1511546 WTLVUEKKWVLCTL-UHFFFAOYSA-N 292.338 3.596 0 40 CHAB CCO[C@](C)(c1ccc(Cl)cc1)C1CCNCC1 1568033 PNUYOXJICDSTHX-OAHLLOKOSA-N 267.800 3.591 0 40 CHAB COc1ccc(CC[C@]2(C)O[C@H](C)CC(C)(C)O2)cc1 1671347 AGEGKOQENQSFOE-CXAGYDPISA-N 278.392 3.948 0 40 CHAB O=C(O)CCCCCCCCCC[C@H]1CCC1=O 2388353 XFBXXTOEKUXMOY-ZDUSSCGKSA-N 254.370 3.951 0 40 CHAB in-vitro O=C(CC1CCC1)Nc1ccc(Br)cc1 3160579 DHJXMDCFNQDBJO-UHFFFAOYSA-N 268.154 3.578 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)Oc1ccc(F)cc1 3221102 VVWRPUDVONALBF-UHFFFAOYSA-N 283.302 3.845 0 40 CHAB Cc1occc(=O)c1OCc1c(Cl)cccc1Cl 4040956 QIMKTDQNOABNOW-UHFFFAOYSA-N 285.126 3.834 0 40 CHAB CCc1nc(NC(C)C)c2oc3ccccc3c2n1 4301736 BAGQAQLHXOSYAJ-UHFFFAOYSA-N 255.321 3.759 0 40 CHAB CCCCC(=O)Nc1ccc(Br)c(C)c1 4666332 RVOJLJMJORTDCM-UHFFFAOYSA-N 270.170 3.886 0 40 CHAB Cn1c(C(=O)Nc2cccc(F)c2)cc2sccc21 4971106 XHXYEKXFMQFQOP-UHFFFAOYSA-N 274.320 3.631 0 40 CHAB CC1=NN2C(c3ccccc3)=CSC2=NC(C)(C)C1 5416591 LDNDAZFXNNWPFM-UHFFFAOYSA-N 271.389 3.948 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1 5676869 XZKPBZIKMAVBEK-RUDMXATFSA-N 289.281 3.625 0 40 CHAB CN(C)c1ccc(NC(=O)CCCOc2ccccc2)cc1 5737802 CSSAYFHQPNYDKV-UHFFFAOYSA-N 298.386 3.550 0 40 CHAB O=C(NCc1cccc(Cl)c1)c1ccc(F)cc1F 6377560 TWCQXLWAHCWCFO-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB Cc1ccnc(NC(=O)c2cc3cc(F)ccc3s2)c1 6650818 OEVXXWZSBLQTBD-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB CC(=O)OCc1ccc(C(=O)Nc2cccc(C)c2C)cc1 6939884 UTLZMUANRXHVSJ-UHFFFAOYSA-N 297.354 3.619 0 40 CHAB Cc1ccc(SCc2cccc(C(=O)O)c2)cc1 11851224 OBWKNEUMZMSDOG-UHFFFAOYSA-N 258.342 3.986 0 40 CHAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2c1C 12850217 ZGDXENFRURQQCT-NSHDSACASA-N 270.376 3.657 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 13023733 PWQDMRIBILHQAA-LSDHHAIUSA-N 295.382 3.740 0 40 CHAB CC(C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 14128994 XPBXQFWEWLBIOG-UHFFFAOYSA-N 289.356 3.566 0 40 CHAB Cc1ccc2nc(COc3cccc4cccnc34)cn2c1 15081324 WGJAXNWOMZSLOQ-UHFFFAOYSA-N 289.338 3.770 0 40 CHAB CCNC(=S)N1CCCCC[C@@H]1c1ccc(OC)cc1 15156111 CSRBAKQXVCWNRE-OAHLLOKOSA-N 292.448 3.507 0 40 CHAB COc1cc(C(C)=O)ccc1OCc1cccc(F)c1 19474123 UMMOUCVOUYAORF-UHFFFAOYSA-N 274.291 3.616 0 40 CHAB Nc1cccc(-c2nnc(-c3ccccc3Cl)o2)c1 19771760 GNKJHLYLQNOSSD-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB COc1cc(C(C)=O)ccc1OC/C=C/c1ccccc1 19806754 UWEYTEHPLOHLCH-RMKNXTFCSA-N 282.339 3.990 0 40 CHAB CCc1ccc(C(=O)Nc2cc(C)ccc2O)cc1 19897681 ANEJPTNXSJXORH-UHFFFAOYSA-N 255.317 3.515 0 40 CHAB COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(C)c2)cc1 20025528 RJSFEPNVSAPLJZ-ZDUSSCGKSA-N 299.370 3.503 0 40 CHAB Cc1ccc(C)c(CC(=O)NCc2ccc(Cl)cc2)c1 20452133 WPGZPIUAXOYICU-UHFFFAOYSA-N 287.790 3.816 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)C1CCCC1 22520733 JTLYTGGZWXDVJJ-MRXNPFEDSA-N 275.392 3.553 0 40 CHAB O=C(NC[C@@H]1CCCO1)c1ccc(C2CCCCC2)cc1 25044053 ZVDSUQHPXAMEFW-KRWDZBQOSA-N 287.403 3.643 0 40 CHAB Cn1c(SCC2CCCCC2)nc2ccccc2c1=O 29842044 HNCJVQLTGKGGDW-UHFFFAOYSA-N 288.416 3.606 0 40 CHAB c1coc(CSCCNc2nc3ccccc3o2)c1 30621919 RLNDRYABTYLKQV-UHFFFAOYSA-N 274.345 3.766 0 40 CHAB COc1ccc(C(C)=O)cc1COc1ccc(F)cc1F 35229304 FFFJLUZWRUROOE-UHFFFAOYSA-N 292.281 3.755 0 40 CHAB COc1cccc2c(SCc3cccnc3)nccc12 36708192 DDYBXJIIKWZJGH-UHFFFAOYSA-N 282.368 3.931 0 40 CHAB CCc1nc(NC(=O)Cc2ccccc2Cl)sc1C 40118939 DTZMAUOLFJQLDI-UHFFFAOYSA-N 294.807 3.849 0 40 CHAB CCc1ccc(OCC[C@@H]2CCCNC2)c(Cl)c1 42770882 HNQSJFINTLICAE-ZDUSSCGKSA-N 267.800 3.671 0 40 CHAB Clc1snnc1CN1CCC[C@H]1C1CCCCC1 48287169 SGOSUSVYQJRQKT-LBPRGKRZSA-N 285.844 3.736 0 40 CHAB CC(C)OCc1cccc(NC(=O)Nc2cccnc2)c1 58146558 ZDYAMMSNLAQKSN-UHFFFAOYSA-N 285.347 3.651 0 40 CHAB Cc1noc(C)c1CN[C@H](C)[C@@H]1C[C@@H]1c1ccccc1 65479302 QANRNMUWCPZKAL-XFBWCDHKSA-N 270.376 3.573 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)NCCSC(C)(C)C 66739598 MBTVONAOLIYSDB-LBPRGKRZSA-N 297.489 3.815 0 40 CHAB Brc1cccc2c(N3CCCCC3)nccc12 72206992 VWARYMSDYIHDKC-UHFFFAOYSA-N 291.192 3.988 0 40 CHAB Cc1nc(SC2CCCCC2)ccc1[C@H](C)N 72224885 SSOCZGIOLKAEEP-JTQLQIEISA-N 250.411 3.835 0 40 CHAB Nc1ccc(OC(F)(F)F)cc1C(=O)c1ccccc1F 75835455 DMGWUUALZJQNMB-UHFFFAOYSA-N 299.223 3.538 0 40 CHAB CCc1cccc(NC(=O)Nc2c(C)nn(CC)c2C)c1 78936353 MLNAHYSEELIJEK-UHFFFAOYSA-N 286.379 3.726 0 40 CHAB CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(C)sc1C 79000867 LKSBRFJGGKGOAY-CHWSQXEVSA-N 283.462 3.769 0 40 CHAB C[C@H]1CN(C(=O)Nc2ccccc2)Cc2ccccc2O1 82358626 LTUMVVNAWDPZJK-ZDUSSCGKSA-N 282.343 3.502 0 40 CHAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C 82609866 XMVDDMYXAPKGFS-JTQLQIEISA-N 269.772 3.796 0 40 CHAB in-vitro Cc1cc([C@@H](C)NC(=O)N(C)[C@H](C)C2CC2)c(C)s1 84081824 XGKXEZOEELQYMO-GHMZBOCLSA-N 280.437 3.866 0 40 CHAB O[C@H](c1cc(Cl)ccc1Br)C(F)(F)F 85221588 ARBZCUASJIPAGT-SSDOTTSWSA-N 289.478 3.698 0 40 CHAB CC[C@]1(C)OC(=S)Nc2ccc(Br)cc21 90415021 DCKAFEQQFCQWOZ-NSHDSACASA-N 286.194 3.801 0 40 CHAB O=Cc1ccc(OCc2ccc(Cl)c(F)c2)cc1 95738613 JQLFJRPJILBKPY-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB COc1ccc(C(=O)c2cc(C)c(C)cc2C)c(OC)c1 95917383 RSKPGNZAUZDERW-UHFFFAOYSA-N 284.355 3.860 0 40 CHAB O=C(CCC1CCCC1)Nc1cc(-c2cccnc2)no1 96184004 MIJNGTQKFRAFNH-UHFFFAOYSA-N 285.347 3.646 0 40 CHAB O=[S@](CCSc1cccs1)c1ccccc1 96409125 NUJOHFDKRPLHHJ-INIZCTEOSA-N 268.428 3.648 0 40 CHAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)C(=O)C[C@@H]12 118925768 PCRFKLBZXMNBGB-SHMJFQSUSA-N 288.431 3.735 0 40 CHAB CCOC(=O)c1cccc(CCc2ccccc2)c1 142556166 LHOVHYYZJZZISC-UHFFFAOYSA-N 254.329 3.649 0 40 CHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 223431953 HNWFJKQZDQAOLQ-INIZCTEOSA-N 297.398 3.809 0 40 CHAB CCCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCCC1 225655415 AQZZLZQEUPIUTH-UHFFFAOYSA-N 291.391 3.682 0 40 CHAB O=C(Cc1cccs1)c1cc(F)cc(Cl)c1 382674000 INSNGAFGBFNTTO-UHFFFAOYSA-N 254.713 3.966 0 40 CHAB Cc1cnc([C@H](C)Nc2ccc(Cl)c(C)c2)cn1 656127922 CHDPYNPCXWTKSS-NSHDSACASA-N 261.756 3.920 0 40 CHAB CC(=O)Nc1ccc(Nc2nc(C3CC3)nc(C)c2C)cc1 1888930411 MIKXXHBVKVSGKJ-UHFFFAOYSA-N 296.374 3.673 0 40 CHAB CC(C)c1ccc(-n2cc(N)c(C(C)(C)C)n2)cc1 2056127427 MFWICEGISICSAI-UHFFFAOYSA-N 257.381 3.875 0 40 CHAB CCC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 92445 VSABSAOTGMUKEG-UHFFFAOYSA-N 279.343 3.658 0 40 CHAB COc1ccccc1C(=O)Nc1c(F)c(F)cc(F)c1F 138458 RNIBUOXBWNSTGY-UHFFFAOYSA-N 299.223 3.504 0 40 CHAB Cc1ccc2c(c1)C(C(=O)O)=Cc1ccccc1O2 415542 BZTXNFOIJWTAIB-UHFFFAOYSA-N 252.269 3.726 0 40 CHAB CCn1c(SCc2ccccc2)nnc1-c1cccnc1 422169 VPHVTDGUKROOHL-UHFFFAOYSA-N 296.399 3.652 0 40 CHAB Cc1cccc(C(=O)NCCCCc2ccccc2)c1 2738763 PRKBEZNBJJOIMO-UHFFFAOYSA-N 267.372 3.748 0 40 CHAB Cc1nc(Nc2ccccc2)c2c(C)c(C)[nH]c2n1 1612111 CMBJBGWHEWMWSK-UHFFFAOYSA-N 252.321 3.627 0 40 CHAB CCOCCCC(=O)N1[C@@H](C)CCC[C@@H]1c1ccccc1 79059957 YYGNUYPTLQGKDC-DOTOQJQBSA-N 289.419 3.945 0 40 CHAB COC(=O)c1sccc1-c1ccc(Cl)cc1 4090536 WRNYEINWQFJNJY-UHFFFAOYSA-N 252.722 3.855 0 40 CHAB CN(Cc1ccccc1)C(=O)CSCc1ccccc1 6169317 IUJXQWCSISVHEW-UHFFFAOYSA-N 285.412 3.578 0 40 CHAB Fc1ccccc1OCCCCCCn1ccnc1 23115383 FKDLJGKHXIFCQH-UHFFFAOYSA-N 262.328 3.662 0 40 CHAB Cc1ccc(CC(=O)N[C@@H]2CCCc3ccccc32)cc1 8061059 QEZCWNLXIJJTAC-GOSISDBHSA-N 279.383 3.731 0 40 CHAB Cc1cc(C)c2[nH]c(=O)c(C)c(C)c2c1Br 8649198 KOEDGXPLHYUFBO-UHFFFAOYSA-N 280.165 3.524 0 40 CHAB Cc1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42772194 NXNZKDQUPWVSKJ-LBPRGKRZSA-N 298.224 3.669 0 40 CHAB CC(=O)Nc1ccc(CNCc2cccc(Cl)c2)cc1 14196413 PRUALMBDURPVLK-UHFFFAOYSA-N 288.778 3.588 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC(C)C)c1 20460472 AWZLJJZQJUDFQL-HNNXBMFYSA-N 277.408 3.541 0 40 CHAB C[C@H](NC(=O)/C=C/c1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 108051437 NHTFWWAFMBTKOR-VMTAPPHVSA-N 275.417 3.702 0 40 CHAB Cc1nc2ccc(C(=O)N3CCCCCCC3)cc2nc1C 58147579 XKUVMFNWBJRYGY-UHFFFAOYSA-N 297.402 3.653 0 40 CHAB CCc1ccc(C(=O)N2CCC[C@@H]2c2cc(C)on2)s1 44633826 PHUVJECCPNDOHF-CYBMUJFWSA-N 290.388 3.584 0 40 CHAB CCCNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 113951401 HHSNFVIELGMGNV-MRXNPFEDSA-N 271.360 3.523 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)C1CCCC1 45603009 BCQAMHXWZICZPK-UHFFFAOYSA-N 257.786 3.550 0 40 CHAB CCc1cccc(C)c1NC(=O)Cc1ccsc1 3486496 DEOVGLTZRKVEKH-UHFFFAOYSA-N 259.374 3.800 0 40 CHAB Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 12938763 WIHRKMVWGOESGZ-UHFFFAOYSA-N 282.368 3.971 0 40 CHAB in-vitro Cc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1C 4310096 BPEHAXDDXDVZRG-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB COc1ccc2cc([C@@H](C)C(=O)N3CCCC3)ccc2c1 14163011 WISIRXZCMJZPMZ-CYBMUJFWSA-N 283.371 3.574 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(F)cc1 19702287 XQZPTCJTTCSDTJ-QGZVFWFLSA-N 296.345 3.551 0 40 CHAB biogenic CC[C@H](C)[C@@H](C(=O)Nc1nccs1)c1ccccc1 7654871 JYVAGFSJUUCFSS-WCQYABFASA-N 274.389 3.912 0 40 CHAB Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1F 7971580 ZQSBICJVXKWWMZ-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB CCc1ccc([C@@H](O)c2nccn2Cc2ccccc2)cc1 9421077 JDXUZBVDFWVODA-GOSISDBHSA-N 292.382 3.576 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1cc2ccccc2[nH]1 8241053 IKZCXHXNGALEKG-UHFFFAOYSA-N 276.339 3.909 0 40 CHAB CC(C)(C)OCc1cccc(CNCc2ccco2)c1 71854228 ZRUBFZZLQHSGBW-UHFFFAOYSA-N 273.376 3.885 0 40 CHAB COC(=O)c1ccc(OCc2ccccc2F)c(Cl)c1 60714015 WOIUIICVVPFPFQ-UHFFFAOYSA-N 294.709 3.845 0 40 CHAB FC(F)(F)Oc1ccc(-c2ccnc(Cl)n2)cc1 38580147 XWJXIKFHTMNBLW-UHFFFAOYSA-N 274.629 3.696 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3ccncc3)cc2)oc1C 33645601 SWDFDWGWAYJOGJ-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB c1ccc(C2(Nc3ncnc4sccc34)CC2)cc1 32520346 YTKAVPKIAIWGKQ-UHFFFAOYSA-N 267.357 3.793 0 40 CHAB CCCCOc1cc2oc(C(=O)O)cc2cc1Cl 72219751 WEJWFSABZIQPSF-UHFFFAOYSA-N 268.696 3.963 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1 24929228 ZFOCBSCTYJKDMQ-WFASDCNBSA-N 294.826 3.760 0 40 CHAB CC(C)CN1CCCC[C@H]1c1ccc(S)nc1 72217024 KLOJJZGJCMUSAB-ZDUSSCGKSA-N 250.411 3.553 0 40 CHAB Cc1cc(N2CCCCCC2)ncc1[C@@H](O)c1ccccc1 72223529 SZBDFTNEKINXTN-IBGZPJMESA-N 296.414 3.852 0 40 CHAB Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)o1 72243336 DBFOAZGXVHETQL-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB CN(C)c1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1 30978132 BZJACYLXXJHPHW-GOSISDBHSA-N 294.398 3.512 0 40 CHAB O=C(NCC1(c2cccs2)CC1)Nc1cccs1 38489673 CQIJKOFABKSWFO-UHFFFAOYSA-N 278.402 3.663 0 40 CHAB CN(c1ccccc1)c1ccc([C@@H](N)c2ccccc2)cn1 72225333 ILUBAKYXMAHTMH-IBGZPJMESA-N 289.382 3.898 0 40 CHAB Nc1cccc(-c2nc3cc(Cl)cnc3s2)c1 78407052 FDDYNQGXYHTARF-UHFFFAOYSA-N 261.737 3.594 0 40 CHAB CCCCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225147240 JPOMOIODSVKESN-AWEZNQCLSA-N 289.419 3.639 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1ccc(OC)c(C)c1 225116015 BBQYMKOSDDMLJG-CQSZACIVSA-N 277.408 3.950 0 40 CHAB CC(C)[C@@H](C)NC(=O)CSc1ccc(Cl)cc1 49535214 FVPVYQBBNGAZAB-SNVBAGLBSA-N 271.813 3.593 0 40 CHAB CC[C@H](C)C(=O)c1c(F)cc(Br)cc1F 229249394 UPPLJXVXBDDTMN-LURJTMIESA-N 277.108 3.956 0 40 CHAB CC(C)Oc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 40122332 JIBIVPWCDCISOP-ZDUSSCGKSA-N 259.349 3.769 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223147412 DXZNXFHLLNWUQP-AWEZNQCLSA-N 279.383 3.975 0 40 CHAB Cc1ccc([C@@H](O)c2ccccc2Br)cc1F 95730092 XQZFCOFLAKNANN-CQSZACIVSA-N 295.151 3.978 0 40 CHAB Cc1nn(C(C)C)cc1NCc1cccc(F)c1F 256050753 GITUWBRNWOCVMN-UHFFFAOYSA-N 265.307 3.663 0 40 CHAB Cc1noc(C2CCN([C@H]3CCCc4ccccc43)CC2)n1 65541139 KVEVTQLHKVUENV-KRWDZBQOSA-N 297.402 3.635 0 40 CHAB CC(C)c1cc(N2C[C@H](C)O[C@H](C)C2)nc2c(N)cccc12 685938447 SKPMFMOPWNQITI-BETUJISGSA-N 299.418 3.554 0 40 CHAB O=C(NCc1ccccc1)N[C@H]1CCCc2ccccc21 45683894 XMSUYLLASUQXKD-KRWDZBQOSA-N 280.371 3.563 0 40 CHAB O=C(Cc1ccccc1Cl)N1CCC(=C2CCC2)CC1 1775986115 VVBSRRHECHPFEM-UHFFFAOYSA-N 289.806 3.985 0 40 CHAB CSc1nc(C)nc2sc3c(c12)CC[C@H](C)C3 413937 LLKRXHQJWJADGO-ZETCQYMHSA-N 264.419 3.846 0 40 CHAB Cc1ccc(CNCc2ccccc2N2CCCC2)cc1 5701405 USSDRUOGNUJZOF-UHFFFAOYSA-N 280.415 3.885 0 40 CHAB CCc1ccc2oc(-c3ccc(OC)c(N)c3)nc2c1 5611019 WXYYJXXJTZEJDK-UHFFFAOYSA-N 268.316 3.648 0 40 CHAB Cc1ccc(-c2nnc(S)n2C2CCCC2)cc1 11692616 SBMYBKSYVIUVPZ-UHFFFAOYSA-N 259.378 3.657 0 40 CHAB CN(C(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 13675941 FQJISOKXSGARHJ-UHFFFAOYSA-N 294.398 3.954 0 40 CHAB COc1ccc2c(c1)CCC/C2=C\CC1(C)C(=O)CCC1=O 16577137 PHYRXYUDHILFBN-JLHYYAGUSA-N 298.382 3.743 0 40 CHAB O=c1oc2cc(O)ccc2cc1-c1ccccc1Cl 58094 BGMJHLCMSVMDLM-UHFFFAOYSA-N 272.687 3.819 0 40 CHAB biogenic,in-vitro Cc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1C 11750107 VSWOEYHSSGODMS-UHFFFAOYSA-N 279.383 3.765 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCc2ccccc21 2442014 HPXKGOKLYKERAY-UHFFFAOYSA-N 290.366 3.722 0 40 CHAB Cc1nc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cs1 33034253 MZINNSNRVRWUPY-VZUCSPMQSA-N 276.748 3.598 0 40 CHAB CSc1sc(-c2ccccc2)c2nc(C)cc(C)[n+]12 4263372 BEIAYJHBUMZJHB-UHFFFAOYSA-N 287.433 3.888 0 40 CHAB CC[C@@H](C(=O)c1cccc(OC(C)=O)c1)c1ccccc1 575362236 PETVHOZYXYLAIX-QGZVFWFLSA-N 282.339 3.988 0 40 CHAB c1ccc2c(c1)CCCN2Cc1nc(-c2ccsc2)no1 25406134 SAABYHKLCVUDGS-UHFFFAOYSA-N 297.383 3.751 0 40 CHAB CC(C)NCc1ccccc1OCc1ccccc1 10435785 GTNGUPMJCARYLB-UHFFFAOYSA-N 255.361 3.764 0 40 CHAB c1ccc(-c2cc3c(Nc4cn[nH]c4)ncnc3s2)cc1 40091202 UWQZCWPCVUZLBU-UHFFFAOYSA-N 293.355 3.825 0 40 CHAB Cc1cc(C)c(NC(=O)NCCCOC(C)C)c(Cl)c1 40023846 KAEVJARBYYLFKI-UHFFFAOYSA-N 298.814 3.893 0 40 CHAB C[C@H]1CCc2c(C(=O)Nc3nccs3)csc2C1 540312 LSDTZRXQOXPXFY-QMMMGPOBSA-N 278.402 3.582 0 40 CHAB CCC(CC)C(=O)Nc1nnc(-c2cccs2)s1 795814 BKZOXCPEABYIIK-UHFFFAOYSA-N 281.406 3.641 0 40 CHAB CCO[C@@H]1CSc2ccccc2C(c2ccccc2)=N1 1584160 MAIYTAQSKUNZHK-MRXNPFEDSA-N 283.396 3.992 0 40 CHAB CC(=O)OCCc1ccc(CCc2ccccc2)cc1 1666529 MATJGZJYDMPPMT-UHFFFAOYSA-N 268.356 3.577 0 40 CHAB CCCCOCCOC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 1719046 MGZDAYPGXNRHMP-KGLIPLIRSA-N 268.397 3.585 0 40 CHAB Cc1ccccc1OCCCn1cnc2ccccc21 2700803 LGOLBDQVIVVQMD-UHFFFAOYSA-N 266.344 3.814 0 40 CHAB C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 4011729 ITAAODZSCWETAN-XYPHTWIQSA-N 265.356 3.668 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)OCCF 3088249 IKXYOHBDERZXOK-UHFFFAOYSA-N 252.072 3.511 0 40 CHAB C[C@@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)NCCC[C@H]12 8615825 GWLZIXUQGCRFNW-RPVYPSMYSA-N 289.463 3.652 0 40 CHAB Cc1nc2cc(NC(=O)CCCc3cccs3)ccc2[nH]1 10895612 KKKVVPGXWNSYEH-UHFFFAOYSA-N 299.399 3.894 0 40 CHAB CCc1ccc(N2COc3ccc(NC(C)=O)cc3C2)cc1 2399817 AMURBLNETCFXSK-UHFFFAOYSA-N 296.370 3.564 0 40 CHAB O=C(O)CCCCCC(=O)c1ccccc1Cl 2518020 JCLWUQDRQZUEGO-UHFFFAOYSA-N 254.713 3.558 0 40 CHAB Cc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)o1 12784814 MHSSRHNKVVIFAL-QWRGUYRKSA-N 289.297 3.747 0 40 CHAB CC1(CNC(=O)CCc2ccc(-c3ccccc3)o2)CC1 72311352 BFYVGRABCWKODL-UHFFFAOYSA-N 283.371 3.796 0 40 CHAB CC(C)c1cc(NC(=O)Cc2c(F)cccc2Cl)[nH]n1 49044414 SNPUVXQCSCJCIR-UHFFFAOYSA-N 295.745 3.507 0 40 CHAB CC[C@H](C)NC(=O)N[C@H](CC)c1ccc(C)cc1C 13745634 AOKBCXSLXGRHMD-DZGCQCFKSA-N 262.397 3.852 0 40 CHAB Cc1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 5616925 RBYWSKQUQAKHBM-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB O=C(CCC(=O)c1ccccc1)Nc1ccc2c(c1)CCC2 6946878 HMEIMCQEIFTYKT-UHFFFAOYSA-N 293.366 3.777 0 40 CHAB Cc1nc2ccc(C(=O)Nc3ccc(F)cc3)cc2nc1C 8060349 XPRNQXUHGMFBNL-UHFFFAOYSA-N 295.317 3.638 0 40 CHAB Cc1c(NCc2ncc[nH]2)cccc1OC1CCCC1 95429052 SXLPLMRQEVFCHS-UHFFFAOYSA-N 271.364 3.652 0 40 CHAB CC[C@@H](NCc1cscn1)c1ccc(OC(F)F)cc1 95421392 IKIIRBXTOZSIDH-CYBMUJFWSA-N 298.358 3.985 0 40 CHAB Cn1ccc(CSCc2c(F)cccc2Cl)n1 95939252 AWTCFYIVEHDTQO-UHFFFAOYSA-N 270.760 3.646 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1ccc(F)c(F)c1 20025695 AGRLWHHUNKCQKV-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB Fc1ccccc1[C@@H]1NCc2ccccc2-n2cccc21 55028053 XXUDAETZNPQVFA-SFHVURJKSA-N 278.330 3.809 0 40 CHAB CC(C)(C)CCNC(=O)NC[C@H]1CCCc2ccccc21 504234592 DLYGQHFVLOCPAT-OAHLLOKOSA-N 288.435 3.842 0 40 CHAB c1ccc(CN[C@H]2CCCC[C@H]2NCc2ccccc2)cc1 66066509 SJBYIGXWWGSEES-BGYRXZFFSA-N 294.442 3.877 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2COC(=O)c1ccc(N)cc1 3846353 YVLDLIKDVQTDRK-QIIPPGSGSA-N 287.403 3.888 0 40 CHAB biogenic COc1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1OC 62791733 BKYJSJKFPHUBGO-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB ClC1(Cl)C[C@H]1CCN1CCCC[C@H]1c1cn[nH]c1 521396163 YJRWZUIZISCCAU-NEPJUHHUSA-N 288.222 3.521 0 40 CHAB CC(C)CC(=O)Nc1cccc(Cl)c1N1CCCC1 33740349 KUUPMRFNXCMPSW-UHFFFAOYSA-N 280.799 3.925 0 40 CHAB O=C1Nc2ccccc2/C1=C\c1c(F)cccc1Cl 44859805 GCNGBHCUHYKALC-CSKARUKUSA-N 273.694 3.972 0 40 CHAB COc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c2ccccc12 225813215 KVQUUEGZTCMILA-SFHVURJKSA-N 299.370 3.602 0 40 CHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C(C)C 225216874 GEIBTSOAXYNINH-BXUZGUMPSA-N 283.799 3.658 0 40 CHAB CCCC[Sn](=S)CCCC 195761355 JJPZOIJCDNHCJP-UHFFFAOYSA-N 265.010 3.776 0 40 CHAB CC(C)CNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254168 UUSHBITUNQBBEL-UHFFFAOYSA-N 293.370 3.616 0 40 CHAB CCOC(=O)c1cc(-n2cccc2)c(Cl)cc1Cl 226244928 XIQKFUYQVLNBGN-UHFFFAOYSA-N 284.142 3.961 0 40 CHAB CCCOc1cccc(C(=O)Nc2ccc([C@H](C)O)cc2)c1 226273354 LGOMVBVYAAXSEV-ZDUSSCGKSA-N 299.370 3.781 0 40 CHAB CCC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 96001299 IJNFILPJNJWKMY-CQSZACIVSA-N 299.374 3.590 0 40 CHAB CCOC(=O)c1nc2ccccc2c(-c2ccccc2)c1N 257197949 OJOXCHOGWPKQNA-UHFFFAOYSA-N 292.338 3.661 0 40 CHAB CC[C@H](C(=O)O)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616233 HFEZZAMITOHSKB-DGCLKSJQSA-N 291.391 3.651 0 40 CHAB CC(C)(C)[C@H]1CCCN(C(=O)c2ccnc3ccncc23)C1 280531858 MNLRMHSGMHOFCP-ZDUSSCGKSA-N 297.402 3.528 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)cc2C)cc1 95916449 MAHCPERDWGIMHV-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB CC(C)Oc1ccccc1C(=O)C(F)(F)Br 394686107 HDPFUBHJPJQOSK-UHFFFAOYSA-N 293.107 3.644 0 40 CHAB COc1ncccc1CNc1ccnc2cc(Cl)ccc12 37396835 GIBLIYWCSVXOMH-UHFFFAOYSA-N 299.761 3.904 0 40 CHAB COc1ccc(-c2nc3ccccn3c2NC(C)C)cc1 413658 GMKWTRLZNRTNKQ-UHFFFAOYSA-N 281.359 3.830 0 40 CHAB CO[C@@H]1CCN(C2CCCC2)C[C@H]1Cc1ccc(F)cc1 1615191490 GITSVHQIPFHUKH-CRAIPNDOSA-N 291.410 3.648 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(F)c2)c1 13710479 GQNUCOCHKAOJRI-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB CN(C)c1ccc(C(=O)[C@H]2N=NC[C@@H]2c2ccccc2)cc1 5495427 CQWMJXRESLIOML-SJORKVTESA-N 293.370 3.554 0 40 CHAB CC1(C)O[P@](=O)(c2ccccc2)C=C1Br 5734228 UZZAFLQYWCVDRQ-HNNXBMFYSA-N 287.093 3.635 0 40 CHAB Cc1ccc(C)c(-c2cc(C(=O)O)nn2-c2ccccc2)c1 11801732 RTIGJBWDZYRGDW-UHFFFAOYSA-N 292.338 3.854 0 40 CHAB CCCCCCOc1ccc(C(=O)O)cc1OCC 11896464 GBAKHNNGJMMPRY-UHFFFAOYSA-N 266.337 3.743 0 40 CHAB Cc1ccccc1CC(=O)NC12CC3CC(CC(C3)C1)C2 12856860 JNSFNOJTORDFML-UHFFFAOYSA-N 283.415 3.623 0 40 CHAB Cc1ccccc1CC(=O)Nc1cccc2cccnc12 14095736 LDWOFPZLCLCFFL-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB Cc1ccc2cc(CN[C@H]3CCCC[C@@H]3C)c(=O)[nH]c2c1 4130448 FRGXALQPKZYEGR-BBRMVZONSA-N 284.403 3.505 0 40 CHAB CCc1ccc(/C=C/C(=O)NCc2ccccc2OC)cc1 5405007 ZOIXZYKKHMTXFS-OUKQBFOZSA-N 295.382 3.587 0 40 CHAB COc1ccc([C@@H](C)NC(=S)Nc2ccccc2)cc1 13932624 YIANSLFUDQVVOA-GFCCVEGCSA-N 286.400 3.743 0 40 CHAB O=C(Nc1ccccc1)N1CC[C@@H](c2cccs2)C1 827907089 ICINEWIFLXMZGK-GFCCVEGCSA-N 272.373 3.770 0 40 CHAB O=C(CCC1CCCC1)c1ccc2c(c1)OCCO2 37354100 SNJASBGGCXSMCD-UHFFFAOYSA-N 260.333 3.611 0 40 CHAB c1ccc([C@H]2CCN(c3nc4ccccc4s3)C2)nc1 798415429 YPQHUDPXILONOV-LBPRGKRZSA-N 281.384 3.685 0 40 CHAB O=C(NCc1ccccc1F)Nc1ccc(Cl)cc1F 20495104 HNZFLYJUJYPRNL-UHFFFAOYSA-N 296.704 3.940 0 40 CHAB Cc1noc(C)c1C(=O)N[C@H](CC(C)C)c1ccccc1 21835654 VLXMSKAARCHOEX-OAHLLOKOSA-N 286.375 3.809 0 40 CHAB O=C(Nc1ccc2ncccc2c1)c1ccsc1 60788587 OTFDFJYEJMJUDC-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB Cc1cccc(NC(=O)CCSc2ccccn2)c1 386159 INVWWGKNWLEPBA-UHFFFAOYSA-N 272.373 3.511 0 40 CHAB CCN(CC)CCC[C@H](C)Nc1ncnc2ccccc12 1592008 RJBCXEKWORHRHM-AWEZNQCLSA-N 286.423 3.552 0 40 CHAB Brc1ccc(SCN2CCCCC2)cc1 1688773 DMNBWNVUEPSSQJ-UHFFFAOYSA-N 286.238 3.985 0 40 CHAB CCCCOC(=O)Nc1ccc(N(CC)CC)cc1 1770723 MFCYKAZBLJEOIG-UHFFFAOYSA-N 264.369 3.881 0 40 CHAB CC1CCN(Cc2ccc(Br)cc2F)CC1 42205949 LRKGSZRMZIURNL-UHFFFAOYSA-N 286.188 3.820 0 40 CHAB O=C(CCSCc1ccccc1)Nc1ccccc1 7685252 RUODVYWIRZVJLF-UHFFFAOYSA-N 271.385 3.949 0 40 CHAB O=C(NCC1CCC1)c1cc(-c2ccccc2Cl)on1 26145919 FLZDQIJWMWYPKM-UHFFFAOYSA-N 290.750 3.525 0 40 CHAB Cc1cc(C(=O)c2cccc(C(F)(F)F)c2)ccn1 45038443 DEHOFZRFNJUNJN-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB COc1ccc(NC(=O)Nc2cccc(F)c2C)cc1 51354497 QYFGGDNQWDBRPY-UHFFFAOYSA-N 274.295 3.787 0 40 CHAB CC(C)CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 24929383 RVIZHSRIEJYALZ-UHFFFAOYSA-N 276.380 3.656 0 40 CHAB Clc1nc2cccc(Br)c2nc1Cl 26506858 SJMFLJROEFRGAR-UHFFFAOYSA-N 277.936 3.699 0 40 CHAB CN(C(=O)CCc1ccc(-c2ccccc2)o1)C1CC1 48344255 UJWGQAIPUUCBPB-UHFFFAOYSA-N 269.344 3.500 0 40 CHAB C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)NC(C)(C)C 12920409 KXKNWJPLVIFQAN-QMMMGPOBSA-N 289.803 3.874 0 40 CHAB OC1=Nc2n[nH]cc2[C@H](c2ccc(Cl)cc2Cl)C1 20722132 WLBRIBVFQUWGBV-QMMMGPOBSA-N 282.130 3.840 0 40 CHAB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C/[N+](=O)[O-] 408528231 UOJXNVKBVUMODJ-AQASXUMVSA-N 295.294 3.553 0 40 CHAB CCC[C@H](NC(=O)c1cccnc1OCC)c1ccccc1 9052610 MDISGAAMONUIQN-INIZCTEOSA-N 298.386 3.752 0 40 CHAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2)s1 14094813 NVJRKBSZFXQDTA-UHFFFAOYSA-N 291.347 3.797 0 40 CHAB CC(C)CCNC(=O)c1cc2cc(Cl)ccc2o1 14187443 AZMJWHBWEYWYPS-UHFFFAOYSA-N 265.740 3.862 0 40 CHAB CC(=O)c1cccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)c1 7528432 UGJWSICJEZICSU-XHDPSFHLSA-N 290.432 3.754 0 40 CHAB C[C@@H](C1CC1)N(C)CCc1ncc(-c2ccccc2)o1 69971768 QOZKNAMJAGSEBO-ZDUSSCGKSA-N 270.376 3.614 0 40 CHAB CCOc1cccc(CNc2nc3ccccc3[nH]2)c1OC 97162772 OCNIFISIBZXXJQ-UHFFFAOYSA-N 297.358 3.582 0 40 CHAB CCc1nnc(CN2CCCC3(CCCCCC3)C2)o1 75968335 FVHBTPVHJUOOOQ-UHFFFAOYSA-N 277.412 3.568 0 40 CHAB Cc1ccccc1[C@H]1CCN(C(=O)C2CCC2)CCS1 219285202 QOHZIGIRJNWIJY-MRXNPFEDSA-N 289.444 3.802 0 40 CHAB Cc1cccc([C@H](O)c2ccc(Br)cc2)c1 37464415 UKLHVCVSCLGKJJ-CQSZACIVSA-N 277.161 3.839 0 40 CHAB COC(=O)c1c(O)cccc1/C=C/C=C/c1ccccc1 35973517 IKSVULXRGCHDJI-YOYBCKCWSA-N 280.323 3.905 0 40 CHAB CCCCN(CCCC)C(=O)c1ccccc1OC 71415910 NDIORTDQJOYVQR-UHFFFAOYSA-N 263.381 3.738 0 40 CHAB CC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 71910083 RFHRDYHXHPZPBF-CQSZACIVSA-N 251.757 3.804 0 40 CHAB O=C(O)[C@@H](Cc1ccccc1F)Oc1ccccc1Cl 225050582 RBHDXHJUGAFPNC-CQSZACIVSA-N 294.709 3.554 0 40 CHAB CC(C)[C@@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 225211429 QBKMXRQYAHPFPI-KGLIPLIRSA-N 285.387 3.768 0 40 CHAB Cc1cccc(C(C)(C)NC(=O)[C@H]2C[C@@H]2c2cccnc2)c1 96412115 RGDLWTDNZWBZFF-SJORKVTESA-N 294.398 3.545 0 40 CHAB CN(C(=O)Cc1cccnc1)c1c(Cl)cccc1Cl 93262468 XYYGNAUZAAIXJB-UHFFFAOYSA-N 295.169 3.594 0 40 CHAB Nc1nc(Cl)cnc1-c1ccc2ccccc2c1 616567916 WSXYSHPHWGPIGI-UHFFFAOYSA-N 255.708 3.532 0 40 CHAB O=C(CCc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 260897564 JAHQWKVZZZYOAN-KCQAQPDRSA-N 277.795 3.577 0 40 CHAB Cc1ccc(Cl)cc1C(=O)[C@@H]1CCCC[C@H]1C(=O)O 95634140 UDOCBAOKJVJBDB-VXGBXAGGSA-N 280.751 3.722 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccc(Cl)cc2C)c1 95916453 JAMYABKBFTTZKB-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB CC[C@H](C(=O)Nc1cc(F)ccc1O)c1ccccc1 72313293 FTIJXUJBKMKVPO-ZDUSSCGKSA-N 273.307 3.664 0 40 CHAB CC(C)(C)[n+]1cn(-c2ccc(F)cc2)c(-c2ccccc2)n1 12551145 FDXYCBRSGJFNCY-UHFFFAOYSA-N 296.369 3.721 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12753601 MDYZLCWRWJYFFF-PIGZYNQJSA-N 263.340 3.852 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=S)Nc2ccccc2F)C1 13827166 GAVSWDDGJAXVSY-PHIMTYICSA-N 266.385 3.500 0 40 CHAB CCOC(=O)c1cc2c(ccc3[nH]c(C)c(C)c32)nc1C 4744952 MQKONBOXSFHARN-UHFFFAOYSA-N 282.343 3.818 0 40 CHAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 6355871 GLMUKGCJYWVWMM-PEHNMLCRSA-N 291.372 3.530 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1 3613650 SPKGAGSONNJNFU-ZWNOBZJWSA-N 296.208 3.758 0 40 CHAB O=C(Nc1cccc2ncccc12)c1ccsc1 12936364 LNWAYLQGTKOMDQ-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB COC(=O)c1cc(N)ccc1Nc1ccc(C)c(Cl)c1 41080052 JQYOQNDUKDGDRD-UHFFFAOYSA-N 290.750 3.761 0 40 CHAB CCOc1ccc(C(=O)Cc2nc3ccccc3o2)cc1 20426876 ACJOTQWQMZBCFN-UHFFFAOYSA-N 281.311 3.652 0 40 CHAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccsc1 32907739 RMZCXHBUYPNQGW-UWVGGRQHSA-N 277.311 3.599 0 40 CHAB CNc1nc(-c2c(C)[nH]c3ccc(OC)cc23)cs1 544530 IGXJEIRLTFXBMP-UHFFFAOYSA-N 273.361 3.650 0 40 CHAB Cc1ccc(NC(=O)/C=C/c2ccc(C)o2)c(C)c1 106346 ZOSSKUCLDCBEQH-VQHVLOKHSA-N 255.317 3.857 0 40 CHAB S=C(c1ccc(Br)cc1)N1CCCCC1 355245 ILKQIVOMWVNDQN-UHFFFAOYSA-N 284.222 3.611 0 40 CHAB CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C(C)(C)C)C3 1346373 OHGNUSBQVVPIJY-SECBINFHSA-N 290.432 3.698 0 40 CHAB Clc1ccc2c(Nc3ccc4c(c3)OCO4)ncnc2c1 1387068 SHCCRWRTGQHVSE-UHFFFAOYSA-N 299.717 3.756 0 40 CHAB CCn1c([C@@H](F)C(F)(F)F)[n+](CC)c2ccccc21 1496632 ZQYJRWVKDAIIFW-LLVKDONJSA-N 275.269 3.542 0 40 CHAB COc1ccc2c(c1)[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1CC2 1705295 WEGOBZDECLEAOK-NJAFHUGGSA-N 288.387 3.790 0 40 CHAB CCOC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 1736771 MZZUYEIINDGZJR-UHFFFAOYSA-N 299.326 3.612 0 40 CHAB O=C(O)CCCCC(=O)c1ccccc1C(F)(F)F 2579906 WZBTYVSWZZCRBJ-UHFFFAOYSA-N 274.238 3.533 0 40 CHAB COC(=O)C(C)(C)[C@@H](c1ccccc1)[C@@H]1CCCCC1=O 3850133 ITXQPFPWSIBFQG-ZBFHGGJFSA-N 288.387 3.729 0 40 CHAB biogenic Cc1ccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc1 4588609 GDOGSFJWIVSVBQ-GDNBJRDFSA-N 297.741 3.993 0 40 CHAB Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 4690253 KTVHRCHVPOMWFX-UHFFFAOYSA-N 295.382 3.891 0 40 CHAB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=O)NC1=S 5347110 JFUDFJGRCDKBKB-VQLBTBKJSA-N 289.381 3.519 0 40 CHAB Cc1ccc(C(=O)n2cc3c(n2)-c2ccccc2CC3)cc1 5413705 SZISCOKHBPNCQN-UHFFFAOYSA-N 288.350 3.646 0 40 CHAB COc1ccc(NC(=O)c2sccc2C)cc1Cl 6303184 CAJJPIPGDFXAGS-UHFFFAOYSA-N 281.764 3.971 0 40 CHAB CCc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 7889097 STANHNKYRYLYHO-UHFFFAOYSA-N 265.356 3.990 0 40 CHAB Cc1cccc(C)c1OCc1nnc(-c2ccccc2)o1 8040493 GRAOSEYDOULOFB-UHFFFAOYSA-N 280.327 3.932 0 40 CHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCCC1 8040939 YEZBZOYHTATSSV-AWEZNQCLSA-N 281.783 3.510 0 40 CHAB CC[C@@H]1CCCCN1CCCOc1ccccc1C=O 8731535 CUDYOZDLNBETNG-MRXNPFEDSA-N 275.392 3.533 0 40 CHAB CCC(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1 8984031 UWVHTMFURJVNSX-UHFFFAOYSA-N 296.779 3.821 0 40 CHAB O=C(c1ccccc1Nc1ccccc1)N1CCCC1 9336010 KFRMXGBJSJLTGS-UHFFFAOYSA-N 266.344 3.666 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccccc1 9447816 OTDWXHOHMBFNBR-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCCC1 9578130 FERKTIDVNAOHGK-UHFFFAOYSA-N 283.396 3.750 0 40 CHAB COc1ccccc1/C=C/C(=O)N1c2ccccc2C[C@@H]1C 10449631 WPTWEFYZHLEMFY-GETOMWPZSA-N 293.366 3.686 0 40 CHAB COc1ccc(-c2cc(C(F)(F)F)cnc2C(C)=O)cc1 12338611 WPNDKFHBXPCBMR-UHFFFAOYSA-N 295.260 3.979 0 40 CHAB O=Cc1cc(F)ccc1Oc1ccc(F)cc1F 12359773 DDWJWMOYGHOQQQ-UHFFFAOYSA-N 252.191 3.709 0 40 CHAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)o1 12915164 XGQHBTIPQCXNCG-UHFFFAOYSA-N 291.734 3.535 0 40 CHAB Cc1ccc(NC(=O)c2cc(C)nc3onc(C)c23)c(C)c1 14179808 OSJKIMZBNRRQDN-UHFFFAOYSA-N 295.342 3.709 0 40 CHAB C[C@H](OCCCNC(=O)Nc1ccccc1)c1ccccc1 14240343 PYKVNUVAKQUFOJ-HNNXBMFYSA-N 298.386 3.976 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1C 25590116 RIQZVSQJARXFPD-KRWDZBQOSA-N 280.371 3.676 0 40 CHAB CC(=O)OC[C@@]12CC=C(C)[C@@H](C1)[C@@H](c1ccccc1)OC2 36367387 OORPXUWOQSNTSJ-KZNAEPCWSA-N 286.371 3.664 0 40 CHAB biogenic FC(F)(F)c1cc(C2CC2)nc(NC2CCCC2)n1 36613245 LJCAKGJPOUUPGI-UHFFFAOYSA-N 271.286 3.727 0 40 CHAB COc1ncccc1N[C@@H](C)c1cc(C)sc1C 37070316 HZVYILHCJKXARA-JTQLQIEISA-N 262.378 3.942 0 40 CHAB O=C(O)c1cccc(CSc2cc(F)ccc2F)c1 37374905 RWVVSLYNWJZWFZ-UHFFFAOYSA-N 280.295 3.955 0 40 CHAB CC(C)CC[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 39975572 CQOVWFSGECWKMH-JTQLQIEISA-N 269.772 3.600 0 40 CHAB CC(C)[C@@H](C)NC(=O)CSCc1cccc(Cl)c1 44195070 UHDCIHICZFCTNT-LLVKDONJSA-N 285.840 3.734 0 40 CHAB COc1ncc(C(F)(F)F)cc1-c1ccccc1 47211984 WOPXLTMJDXJMGG-UHFFFAOYSA-N 253.223 3.776 0 40 CHAB CC(=O)c1ccc(OCC(=O)c2ccc(C)s2)cc1 48322353 PMFGOVCGBSATHB-UHFFFAOYSA-N 274.341 3.521 0 40 CHAB CN(Cc1ccc(Br)cc1)Cc1cscn1 48374783 UQILRQYHZYMKLT-UHFFFAOYSA-N 297.221 3.538 0 40 CHAB CC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 49350885 AWXQLLXHYIPYKM-CYBMUJFWSA-N 265.765 3.627 0 40 CHAB Clc1ccc(-c2cc3c(Cl)nccn3n2)cc1 57352183 BNXLFXLCPZJBOH-UHFFFAOYSA-N 264.115 3.703 0 40 CHAB CCCCCCOc1ccc(/C=C/C(=O)OC)cc1OC 60805818 PMYOSZGQDYHLAN-PKNBQFBNSA-N 292.375 3.841 0 40 CHAB CCc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)s1 69416465 GCKCMKOXVKAZDF-SECBINFHSA-N 291.338 3.725 0 40 CHAB C[C@H](Nc1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 72207644 HWBKXUHOEGJMFF-ZFWWWQNUSA-N 290.407 3.887 0 40 CHAB CC(C)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344115 HNMBGILZWOTGHR-NWDGAFQWSA-N 272.175 3.622 0 40 CHAB O=C(C[C@H]1C=CCC1)NCc1ccc(-c2cccnc2)cc1 89794101 VTYZMOSLXRXXGT-HNNXBMFYSA-N 292.382 3.721 0 40 CHAB O=C(CC1(n2cccc2)CCCCC1)Nc1ccccc1O 95480431 VEZPPASLZFTFNW-UHFFFAOYSA-N 298.386 3.882 0 40 CHAB COc1cc2occc2cc1C(=O)CC(=O)c1ccccc1 96904017 FCPPPMUIOSTCHQ-UHFFFAOYSA-N 294.306 3.897 0 40 CHAB biogenic,in-vitro CCc1noc(C)c1CNc1cc(F)c(F)cc1F 97080266 YFVBYRQJOVVORO-UHFFFAOYSA-N 270.254 3.575 0 40 CHAB O=C(OCc1nccs1)[C@@H]1CCCC[C@@H]1C(F)(F)F 97159122 RUNZVTZPBTWPGW-BDAKNGLRSA-N 293.310 3.555 0 40 CHAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccc(Cl)cc1 100227567 YSTXAYMWXJLSHB-YOEHRIQHSA-N 299.805 3.700 0 40 CHAB CCN1C(=O)[C@H](Cc2cccc(F)c2)c2ccccc21 101014009 PPXDUEOOTDMGQI-OAHLLOKOSA-N 269.319 3.519 0 40 CHAB COc1ccc(OC)c2c1[C@H]1[C@H]3[C@H]4[C@H]5[C@@H]3[C@@]13CC=CC[C@]53[C@H]24 104289877 BYMOLZMTZMIORZ-GZMDLBLKSA-N 292.378 3.727 0 40 CHAB COc1ccc(C(=O)O)cc1COc1cccc(Cl)c1 131896946 VVJQJFKNXMONGJ-UHFFFAOYSA-N 292.718 3.626 0 40 CHAB CC(C)C(=O)c1ccc(Br)c(Cl)c1 167723944 LDCYTSSTWMPFIN-UHFFFAOYSA-N 261.546 3.941 0 40 CHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c(Cl)c1 225732748 VOCAOWMOCLPJGT-HNNXBMFYSA-N 299.798 3.882 0 40 CHAB CCCOC(=O)c1cc(NC)ccc1N1CCCC[C@@H]1C 226277340 BIVRQWCSXSIZIW-ZDUSSCGKSA-N 290.407 3.674 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1 226352115 YYBMOOAQVAFIDV-UHFFFAOYSA-N 287.315 3.629 0 40 CHAB O=C(/C=C/c1ccccc1)NCc1ccc(-c2ccco2)o1 575609022 NCMQPFOYTQBOHQ-DHZHZOJOSA-N 293.322 3.869 0 40 CHAB CC(C)Cc1nc2sc3c(c2c(=O)o1)CCCCC3 235394 HBEYHRWFORHFAV-UHFFFAOYSA-N 277.389 3.717 0 40 CHAB CCc1ccc(NC(=O)[C@]23CC[C@H](C2)C(C)(C)C3=O)cc1 352968 ZFBPDCMVHFIDKD-FZKQIMNGSA-N 285.387 3.583 0 40 CHAB COc1ccc(OC)c2nc3c(cc12)CCCCCC3 1385135 ODLCWJHFXQSRME-UHFFFAOYSA-N 271.360 3.911 0 40 CHAB COc1cc2ccnc(Cc3ccccc3)c2cc1OC 1669230 FDEYTMQYESXADG-UHFFFAOYSA-N 279.339 3.843 0 40 CHAB O=C1Nc2ccccc2[C@@H]2Cc3c([nH]c4ccccc34)C[C@H]12 1692017 VTLHZVQWKGYIBJ-ZFWWWQNUSA-N 288.350 3.619 0 40 CHAB Brc1ccccc1C[n+]1cccc2ccccc21 1870598 VLIRXLSMGBEEPY-UHFFFAOYSA-N 299.191 3.938 0 40 CHAB CCCCCc1nnc(NC(=O)c2ccccc2C)s1 2067547 MLBDYRXGZDSWAE-UHFFFAOYSA-N 289.404 3.832 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1ccccc1OC 2378943 CJYNQAUFUOYCFZ-UHFFFAOYSA-N 292.375 3.782 0 40 CHAB Cc1ccc(NC(=S)NC2CCCCC2)c(C)c1 2781293 KQYNMSDMKAZACR-UHFFFAOYSA-N 262.422 3.923 0 40 CHAB 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 4027444 WDTAJXMIXADUTH-MQJSTHQHSA-N 291.479 3.717 0 40 CHAB biogenic CCCCC(=O)Nc1ccc2c3c(cccc13)C(=O)N2CC 4071240 WSRAOHTXASPHRU-UHFFFAOYSA-N 296.370 3.949 0 40 CHAB O=C(NCCCCc1ccccc1)c1cccc(F)c1 4113229 GWCSOMQUHPTPMN-UHFFFAOYSA-N 271.335 3.578 0 40 CHAB biogenic Cc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 4539490 QGMXNKNPBDJMDK-UHFFFAOYSA-N 266.300 3.624 0 40 CHAB CCOc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1 6499338 LDDIAGDYZRPALL-UHFFFAOYSA-N 287.344 3.589 0 40 CHAB CC[C@@H](NC(=O)c1ccc(C)cc1)c1ccc(OC)cc1 7037303 JGCDZCSXXCWPOI-QGZVFWFLSA-N 283.371 3.885 0 40 CHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1 7263839 TUSJTUJEGIYYOO-UHFFFAOYSA-N 295.260 3.723 0 40 CHAB CCc1cccc(C)c1NC(=O)[C@H]1COc2ccccc2C1 8113005 XXDUPXYGERAJKL-MRXNPFEDSA-N 295.382 3.747 0 40 CHAB CC[C@H](Sc1ccccc1NC(=O)C(C)(C)C)C(=O)O 8732846 GVEDGLCYOXFZLO-NSHDSACASA-N 295.404 3.627 0 40 CHAB Cc1nc(NC(=O)CSc2ccccc2)ccc1Cl 10119513 DXDRDDWAVWLEKC-UHFFFAOYSA-N 292.791 3.774 0 40 CHAB CCc1ccc(CCC(=O)N2CCCCCC2)cc1 10332237 MRGYKVWVTXIIKG-UHFFFAOYSA-N 259.393 3.584 0 40 CHAB Clc1cccc2sc(NCc3cccnc3)nc12 11919980 NTFXFVYJHFTQPI-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB CC(C)C[C@H](N)C(=O)Nc1ccc(Oc2ccccc2)cc1 11961349 MTSPMSPHSCYSRY-KRWDZBQOSA-N 298.386 3.791 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)c(F)c1 12987251 LCGYECMZWOFXFC-UHFFFAOYSA-N 269.319 3.875 0 40 CHAB Cc1cc(C)c(OC(=O)c2ccc(Cl)nc2)c(C)c1 14627329 SHQDZRLRRGPSRW-UHFFFAOYSA-N 275.735 3.879 0 40 CHAB CC(C)(c1ccccc1)c1ccc(O[C@@H]2CCNC2)cc1 14632237 RYPLQWRKHHDZAD-GOSISDBHSA-N 281.399 3.753 0 40 CHAB Cc1cccc(NC(=O)N2CCCc3ccccc32)c1 16349688 NCGVDPRAFSAMKV-UHFFFAOYSA-N 266.344 3.980 0 40 CHAB Cc1csc(NC(=O)Nc2ccccc2Cl)n1 20030784 SCQFWOGDHDOKAB-UHFFFAOYSA-N 267.741 3.749 0 40 CHAB COc1cccc2cc([C@@H](C)NCc3ccco3)oc12 20084150 JZHCXJFIOCJNDO-LLVKDONJSA-N 271.316 3.885 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](CC)Oc1ccccc1Cl 20482509 KMVVOYVDWIYSSG-AAEUAGOBSA-N 283.799 3.802 0 40 CHAB Cc1cc(C)c([C@H](c2ccccc2)N2CCNCC2)c(C)c1 22793229 FXZOPXCXLYXBPO-FQEVSTJZSA-N 294.442 3.606 0 40 CHAB COc1ccc2c(c1)CC[C@H]1[C@H]3C=C[C@H](O)[C@@]3(C)CC[C@@H]21 32271506 KAECVEVIXKMEOP-JKEDJMADSA-N 284.399 3.688 0 40 CHAB COCSc1nc(C)c(C)n1C1CCCCC1 32724297 VMERHDUENITDBI-UHFFFAOYSA-N 254.399 3.701 0 40 CHAB O=C(CC1CCCCC1)N1CCC[C@H]1c1ccncc1 32907461 GEPSIOUIUTXTFG-INIZCTEOSA-N 272.392 3.716 0 40 CHAB Clc1ccc2nccc(NCc3cccnc3)c2c1 41474769 WMDLOCOZHTWPIV-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1ccc(F)cc1 62157991 LCMASTYUNBCKCR-CYBMUJFWSA-N 283.346 3.736 0 40 CHAB CCN(CCC(F)(F)F)C(=O)c1cc(C)cc(C)c1 69439430 LRRZYFOOFOCMLB-UHFFFAOYSA-N 273.298 3.718 0 40 CHAB CCN1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C 72219237 PVIZCTHGELKOQT-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB CSCC[C@H](C)NC(=O)Nc1ccc(C)cc1C 77178188 QLCRSFWZCPWGNQ-LBPRGKRZSA-N 266.410 3.567 0 40 CHAB COc1cccc2cc(C(=O)NC3CCCCC3)oc12 78658835 ZJSIQVXCWHEICC-UHFFFAOYSA-N 273.332 3.504 0 40 CHAB Cc1ccc(C(=O)O[C@H](C2CC2)C(F)(F)F)cc1F 79063161 PHYLWEZXBPVHBL-LLVKDONJSA-N 276.229 3.632 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NCc1cscn1 84017055 KEERVDYRHJRWDH-UHFFFAOYSA-N 284.388 3.558 0 40 CHAB CSc1ccc(NCc2scnc2C)cc1F 95429289 CANLJEZAPXJQPD-UHFFFAOYSA-N 268.382 3.925 0 40 CHAB CC[C@@H](SC)C(=O)Nc1cc(C(C)C)c(O)cc1C 95431434 ZLKMXCUATAYNGW-CQSZACIVSA-N 281.421 3.904 0 40 CHAB CC(=O)c1csc(C(=O)Nc2ccc(Cl)cc2O)c1 95974012 COLLHXBTTKWPAG-UHFFFAOYSA-N 295.747 3.562 0 40 CHAB CC(C)COc1c(C(=O)O)oc2ccc(Cl)cc12 96510834 UPEMKPKRXQPAQU-UHFFFAOYSA-N 268.696 3.819 0 40 CHAB S=C(SCc1nc2ccccc2s1)N1CCCC1 97603749 UYLSOZPPZDUAFD-UHFFFAOYSA-N 294.470 3.910 0 40 CHAB CC1(C)O[C@H](c2ccccc2)[C@@H]2C[C@@H]1CC[C@]2(C)O 106898107 LEVCRGWPKKRIOU-MPTYRVRUSA-N 260.377 3.704 0 40 CHAB biogenic Cc1cccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)c1 225017778 FPWSLGAXFJNWJU-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C(C)C 225216834 GEIBTSOAXYNINH-FZMZJTMJSA-N 283.799 3.658 0 40 CHAB CN(C(=O)C(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2 226275342 CPQBLPUEWQAMSC-UHFFFAOYSA-N 291.272 3.783 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2cccc(N)c2)o1 226305087 YIPKPEMXLURCPQ-CHWSQXEVSA-N 298.386 3.932 0 40 CHAB C[C@@H]1[C@@H](NC(=S)Nc2ccc(F)cc2)CCC[C@H]1C 251690008 HDVXYNKRVGGROH-SUNKGSAMSA-N 280.412 3.937 0 40 CHAB CC(C)[C@@H]1CCCCN1c1ccc2cccc(N)c2n1 685937965 DPMXSKTUNQDCMU-HNNXBMFYSA-N 269.392 3.832 0 40 CHAB CC(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccccc12 269214 PPIYNTDGLCXUQV-UHFFFAOYSA-N 293.322 3.931 0 40 CHAB C[C@H]1C[C@@]2(C[C@H](C)N(C)C[C@@H]2C)Nc2ccccc21 333858 DSXWYDFCIRWJDM-WSMBLCCSSA-N 258.409 3.705 0 40 CHAB Cc1cc(C)cc(NC(=O)COc2c(C)cccc2C)c1 362548 NFSCFOPTNGJFTK-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB COc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1 363750 RZVQGZJQODRYPC-UHFFFAOYSA-N 296.244 3.933 0 40 CHAB O=C(Nc1nc2ccc(Cl)cc2s1)C1CCC1 363821 RFMGONYQEMYSFU-UHFFFAOYSA-N 266.753 3.688 0 40 CHAB CC[C@@H](C)C(=O)Nc1nnc(C2CCCCC2)s1 380323 KKDGEIXUYAELHM-SECBINFHSA-N 267.398 3.570 0 40 CHAB COc1ccc(C)cc1NC(=O)c1cccc(C)c1 579330 SIMCFKIZSYMIJD-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB COc1ccc(C(=O)CCc2c[nH]c3ccccc23)c(O)c1 1614070 UPBOTALDMZPXBB-UHFFFAOYSA-N 295.338 3.698 0 40 CHAB CCCC[C@@H](CC)C(=O)Oc1ccc(OC)cc1 2061750 GNPJCHNALOHFRW-GFCCVEGCSA-N 250.338 3.817 0 40 CHAB CCCOC(=O)c1ccc(Cl)c(NC(=O)C(C)C)c1 2069877 LFUMDAURXDWFKH-UHFFFAOYSA-N 283.755 3.501 0 40 CHAB Cc1nn(C)cc1NC(=S)Nc1cccc2ccccc12 2780905 DGGHYRXIIXMJOH-UHFFFAOYSA-N 296.399 3.691 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1ccc2ncsc2c1 3395266 JFHAOHSGCOOYCN-UHFFFAOYSA-N 296.351 3.751 0 40 CHAB CCc1ccccc1NC(=O)Cc1ccccc1F 3431863 ZLYLOFLAWFPCLT-UHFFFAOYSA-N 257.308 3.569 0 40 CHAB CNC(=O)N(C)C(=O)NC1CCCCCCCCCCC1 4655739 ATBNTAAAMFTOIG-UHFFFAOYSA-N 297.443 3.641 0 40 CHAB Cc1ccccc1NC(=O)c1cc2sccc2n1C 4971072 BRZFQIUPBCHCFK-UHFFFAOYSA-N 270.357 3.801 0 40 CHAB Cc1ccc2nc(C3CCN(C(=O)C(C)(C)C)CC3)[nH]c2c1 5626027 KZXGSKSWTZEOBM-UHFFFAOYSA-N 299.418 3.623 0 40 CHAB COc1ccc(-c2csc(NCC(C)C)n2)cc1OC 7844366 DKPIANNVTFBUEW-UHFFFAOYSA-N 292.404 3.895 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)o1 9314749 HFCJZMVNBXQZKM-UHFFFAOYSA-N 299.326 3.882 0 40 CHAB O=C(Nc1ccccc1OC(F)F)c1cc(Cl)ccn1 9458984 MYDMCNDSVIYYER-UHFFFAOYSA-N 298.676 3.589 0 40 CHAB COc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 13022451 DIXWHTIDCDLYMB-QGZVFWFLSA-N 281.355 3.754 0 40 CHAB Cc1ccc(NC(=O)NC2CCCCCC2)cc1F 13320217 AKUNIKOASDLDDR-UHFFFAOYSA-N 264.344 3.978 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1F 13325348 OAVFVIRSMKLNPH-CABZTGNLSA-N 268.307 3.665 0 40 CHAB CC1(C)C[C@]2(C)C[C@H]1CN(C(=O)Nc1ccccc1)C2 13576462 UJPWYKJLSULERI-GUYCJALGSA-N 272.392 3.977 0 40 CHAB Cc1ccc(O)c(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 16018035 AEJAGBPAMSWZRJ-NSHDSACASA-N 289.762 3.845 0 40 CHAB Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2cccs2)s1 19927630 HNXHJNKTKYEMSF-KCJUWKMLSA-N 296.442 3.680 0 40 CHAB CCCCCCC(=O)Nc1cc(C(=O)O)ccc1Cl 20136658 QLJZZNJVWZHMDX-UHFFFAOYSA-N 283.755 3.947 0 40 CHAB O=C(/C=C/c1ccco1)N[C@H]1CCCC[C@H]1C(F)(F)F 25048404 ZFVLTBWHFLFXPZ-LASXONHFSA-N 287.281 3.530 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)c1cc(Cl)ccn1 32731130 VDKDYBWNDIMMTP-NSHDSACASA-N 274.751 3.568 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 32843555 ASPYFXXJLMCGBS-CXAGYDPISA-N 297.423 3.971 0 40 CHAB CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F 34220093 VVECGOCJFKTUAX-UHFFFAOYSA-N 274.320 3.850 0 40 CHAB fda CNCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 36818903 BFLHNBLUWKEOGU-UHFFFAOYSA-N 255.239 3.685 0 40 CHAB Cc1n[nH]c(C)c1NC(=O)Nc1ccccc1C(F)(F)F 41111223 JXBYYMLXWXJERV-UHFFFAOYSA-N 298.268 3.689 0 40 CHAB CCc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1 43749772 CAWFGCJBWCSFCU-UHFFFAOYSA-N 297.398 3.966 0 40 CHAB COC(=O)[C@H](NC1CCCCCCC1)c1ccccc1 47979123 HUFSXZJHNOVCSL-MRXNPFEDSA-N 275.392 3.603 0 40 CHAB Cc1cc(C(=O)c2cc(F)ccc2F)ccc1F 55242887 QMJOHGAORSSYDX-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CC1(C)N=C(S)C(c2ccc(C(C)(C)C)cc2)=N1 67172576 MDEXIQZMQUSLDF-UHFFFAOYSA-N 260.406 3.851 0 40 CHAB CC(C)N1CCCC[C@@H]1CCc1ccnc(Cl)c1 72343845 PXUKXYLVNJDCCL-CQSZACIVSA-N 266.816 3.931 0 40 CHAB Cc1cc(C)c2nc(-c3ccc(N)cc3O)sc2c1 73635457 PQTGAIYWUJDTHI-UHFFFAOYSA-N 270.357 3.868 0 40 CHAB CC(C)c1ccc([C@H](C)CC(=O)NCc2ccc[nH]2)cc1 74127094 RALNSUQSIZGDOU-CQSZACIVSA-N 284.403 3.948 0 40 CHAB COc1ccc2c(C(F)(F)F)cc(Cl)nc2c1 75895613 PWHTVHQIKXGDTK-UHFFFAOYSA-N 261.630 3.916 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]1C=CCC1 78961516 CNWUNMCHMIHGHM-CQSZACIVSA-N 255.361 3.631 0 40 CHAB Cn1c2c(c(=O)c3cc(Oc4ccccc4)ccc31)CCC2 83255133 IEPAVMQFOSNIHD-UHFFFAOYSA-N 291.350 3.820 0 40 CHAB Cc1cccc2nc(=S)n(-c3ccccc3)c(O)c12 253497311 QIKCUQMLKDVUTG-UHFFFAOYSA-N 268.341 3.769 0 40 CHAB CC[C@H](C)OCc1nn([C@H](C)CC)cc1Br 408716358 LWQWLHDNWNDDTB-ZJUUUORDSA-N 289.217 3.932 0 40 CHAB Cc1ccc(OC(=O)c2nc3ccccc3s2)cc1 409189916 NNCJPPGTPQXWKA-UHFFFAOYSA-N 269.325 3.824 0 40 CHAB CC(C)C[C@@H](N)C1(c2cc(F)cc(F)c2)CCC1 1772715021 QWHWZSCDSRUGGO-CQSZACIVSA-N 253.336 3.760 0 40 CHAB CCc1cccc2sc(N3CC[C@H](CF)C3)nc12 2086992529 IPHWUFRZGZXCSU-SNVBAGLBSA-N 264.369 3.655 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53357828 LBRUODHYZOIDPT-CZUORRHYSA-N 295.386 3.583 0 40 CHAB C[C@H](CCc1ccccn1)C(=O)[C@H](C)CCc1ccccn1 1675618 DYMMECNRDCHTAE-HZPDHXFCSA-N 296.414 3.883 0 40 CHAB CCOC(=O)c1cc(-c2ccccc2)nc2c(O)cccc12 1707481 QBIBHMLLBCXKFX-UHFFFAOYSA-N 293.322 3.784 0 40 CHAB Cc1nc(Cc2ccccc2)nc2sc(C(=O)O)c(C)c12 12391293 KRPYPIZRMTXLGI-UHFFFAOYSA-N 298.367 3.597 0 40 CHAB CC1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1 4889361 GPNLJAZAPSEYDT-JWTNVVGKSA-N 267.372 3.603 0 40 CHAB CC(C)(C)c1cccc(OCC[C@@H]2CCCNC2)c1 42772800 GSNFYKAJDSLOOH-AWEZNQCLSA-N 261.409 3.753 0 40 CHAB Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccccc1 55693234 GLSROQWQPLTTNN-INIZCTEOSA-N 297.398 3.511 0 40 CHAB Cc1ccc(N2C(=O)[C@H]3CC[C@](C)(C2=O)C3(C)C)c(C)c1 100286012 MNLBANLVYHVZKB-FZKQIMNGSA-N 285.387 3.619 0 40 CHAB Cc1cc(C(=O)N(Cc2cccs2)C2CC2)c(C)o1 58066010 IMRZCYRWDNOTOS-UHFFFAOYSA-N 275.373 3.763 0 40 CHAB COC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)cc1 20133973 FNSLRYLCJDYMCU-FMIVXFBMSA-N 282.339 3.760 0 40 CHAB Cc1nc(-c2ccccc2)nc(N2CCCCC2)c1C 58158972 JWOPLDTVXADNCG-UHFFFAOYSA-N 267.376 3.751 0 40 CHAB Cc1ccnc(N(CC(C)C)C(=O)OC(C)(C)C)c1 114666585 MKEQMMKWFAAAGS-UHFFFAOYSA-N 264.369 3.788 0 40 CHAB Nc1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1 3532449 LTQJZSRNRYWUSV-UHFFFAOYSA-N 264.353 3.964 0 40 CHAB COC(=O)C[C@H](Cc1ccccc1)c1ccccc1 38328072 KLBVSPDAJFFKBJ-INIZCTEOSA-N 254.329 3.576 0 40 CHAB Cc1cc(S)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5322244 WWCUSCROVHSHFE-UHFFFAOYSA-N 289.791 3.955 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1cccc(Cl)c1 7400787 ZDHFJHGNFHLASU-UHFFFAOYSA-N 278.739 3.516 0 40 CHAB CC1(C)CN(C(=O)Nc2cccc3[nH]ccc23)CCS1 83561141 JEYWOJGIXAEXAV-UHFFFAOYSA-N 289.404 3.527 0 40 CHAB Cc1ccc(O)c(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 16018034 AEJAGBPAMSWZRJ-LLVKDONJSA-N 289.762 3.845 0 40 CHAB O=C(NCCc1ccc(F)cc1)NC1CCCCCCC1 9578435 LIOYFYMZGPIVHV-UHFFFAOYSA-N 292.398 3.780 0 40 CHAB CC(C)[C@H](CNC(=O)CC(C)(C)C)Nc1ccccc1 71838241 PNCZVCWEAPZXEU-HNNXBMFYSA-N 276.424 3.676 0 40 CHAB CC(C)COc1ccccc1NC(=O)COc1ccccc1 8723115 UEHYSYFVGHGDGY-UHFFFAOYSA-N 299.370 3.739 0 40 CHAB CC(C)n1ccc2c(NC(=O)c3ccccn3)cccc21 95473653 IUUDAXDAFJNJRH-UHFFFAOYSA-N 279.343 3.870 0 40 CHAB CCCc1ncc(-c2nc(-c3cccc(F)c3)no2)s1 544922845 BDCVKAIOJMAALQ-UHFFFAOYSA-N 289.335 3.952 0 40 CHAB COc1ccc(-c2ccn(-c3ccccc3)n2)cc1 26897230 ARUQOLIYTLDNCL-UHFFFAOYSA-N 250.301 3.548 0 40 CHAB Cc1cc(C)c2oc(-c3ccc(CN)cc3)nc2c1 16268766 POOZIAQUGIMGTA-UHFFFAOYSA-N 252.317 3.570 0 40 CHAB CC(C)(C)COc1ccc(C(=O)O)cc1Br 39952471 CVQVLAWZKJCXOI-UHFFFAOYSA-N 287.153 3.572 0 40 CHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H](C)C1 38755565 YAVWVRWGCYMUBL-IUODEOHRSA-N 295.810 3.756 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(Br)nc1 72211558 RORVVFQIAPPTPP-GFCCVEGCSA-N 283.213 3.781 0 40 CHAB CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 36562525 JWQWOWGOQBKOKC-TUQDCPSNSA-N 265.356 3.967 0 40 CHAB CCCCNc1ncccc1[C@@H]1CCCN1CCC 72213599 KFHDIJORTGABBT-HNNXBMFYSA-N 261.413 3.841 0 40 CHAB Clc1nc(Cc2cccc3ccccc23)ns1 47218904 CJDDGEOCHGURKK-UHFFFAOYSA-N 260.749 3.936 0 40 CHAB COc1ccc(CNc2ccc3scnc3c2)cc1O 192256213 RWGAYNBPZMCGOA-UHFFFAOYSA-N 286.356 3.623 0 40 CHAB CCCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225844221 CDQOMTWVHCKZCS-CQSZACIVSA-N 277.408 3.802 0 40 CHAB Cc1ccc(SCC(=O)Nc2cc(C)ccc2C)nc1 40067530 WHGMVCYGHLROMK-UHFFFAOYSA-N 286.400 3.738 0 40 CHAB CC[C@H](C)c1ccc(O[C@H]2CCCNC2)c(Cl)c1 42775048 RDXNLUDUYXGEEU-AAEUAGOBSA-N 267.800 3.984 0 40 CHAB C[C@@H](O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 226273027 DHGXLIUHZLXWNT-SNVBAGLBSA-N 275.735 3.646 0 40 CHAB Cc1ccccc1C[C@@H](Sc1ccccc1)C(=O)O 225016377 RHFHCYASKFJHAA-OAHLLOKOSA-N 272.369 3.783 0 40 CHAB CC(C)CCCCNC(=O)N(C)[C@@H](C)c1ccncc1 96419944 CIPFUBMPEHHMKQ-AWEZNQCLSA-N 277.412 3.610 0 40 CHAB CCc1nnc(CNc2c(F)cc(Cl)cc2Cl)o1 97237704 KYMJNCJZFRXULB-UHFFFAOYSA-N 290.125 3.690 0 40 CHAB O=C(O)Cc1ccnc(Nc2c(Cl)cccc2Cl)c1 256049690 AZMCQOMVIKCONT-UHFFFAOYSA-N 297.141 3.759 0 40 CHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1(c2ccccc2)CCCC1 260747068 ZVBDCHABXKVITK-YQQAZPJKSA-N 283.415 3.803 0 40 CHAB O=C(c1ccc(Cl)c(F)c1)c1cc(F)ccc1F 95916253 NEBZFWDKYRTNOG-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB Cc1cc(CN(C)C(=O)Nc2cccc3c2CCCC3)no1 43316135 FRPWUQMSYFNRKJ-UHFFFAOYSA-N 299.374 3.526 0 40 CHAB C[C@@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@H]2C(=O)CCC[C@H]12 5103719 LLKGFONIEWUPGG-VASSJNQBSA-N 290.447 3.959 0 40 CHAB O=C(Cc1c(Cl)cccc1Cl)NC1CCCCC1 5557916 XOXCYSDNMPWBOK-UHFFFAOYSA-N 286.202 3.985 0 40 CHAB COc1cc2cncc(Cc3ccccc3)c2cc1O 5639647 PFRXFVVHPZSQDB-UHFFFAOYSA-N 265.312 3.540 0 40 CHAB biogenic Cc1ccc([C@H](O)c2cnc(C)n2Cc2ccccc2)cc1 13099143 LDUBFHKGOKKYNV-IBGZPJMESA-N 292.382 3.630 0 40 CHAB in-vitro S=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 16212192 LXBJMJNIMDMNNW-OPQQBVKSSA-N 280.824 3.815 0 40 CHAB Cc1ccc(-c2cc(COC(=O)c3ccco3)no2)cc1 12236678 JWVWCNAATGHATR-UHFFFAOYSA-N 283.283 3.600 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(Cl)c(CC)c1 575359176 UVUUJBARYBYKTQ-UHFFFAOYSA-N 282.767 3.819 0 40 CHAB Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1 1995 JTIGKVIOEQASGT-UHFFFAOYSA-N 278.355 3.953 0 40 CHAB world Cc1cc(C(F)F)c2cnn(-c3ccc(F)cc3)c2n1 20602771 VHJUZNSGBAABRW-UHFFFAOYSA-N 277.249 3.806 0 40 CHAB CSc1cccc(NC(=O)c2ccc(C)cc2)c1 363342 XLAIMMCWPWOXOL-UHFFFAOYSA-N 257.358 3.969 0 40 CHAB CC[C@@H](NC(=O)c1ccc(C)n1C)c1ccc(Cl)cc1 21557869 GYNXZJFQEWXWEW-CQSZACIVSA-N 290.794 3.868 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1cccc(N2CCCC2)c1 1106076 KVVBDQMYKFCNRF-UHFFFAOYSA-N 298.361 3.607 0 40 CHAB CCCC[C@@H](CC)C(=O)OCCC[C@H]1CCCO1 1561487 CTTMABCNHUOHAT-ZIAGYGMSSA-N 256.386 3.705 0 40 CHAB CCc1cc2c(c3ccccc13)CC[C@@](C)(C(=O)OC)C2=O 1600975 ZOWHOUDAZSMCSL-LJQANCHMSA-N 296.366 3.710 0 40 CHAB CN(C(=O)Cc1ccc(Cl)cc1)c1ccccc1 6178453 MFSNAIAXNUVZMQ-UHFFFAOYSA-N 259.736 3.546 0 40 CHAB Cc1ccc([C@@H](CN(C)C)C(=O)c2ccccc2)cc1C 6522837 WCLJTAOTFJCZJL-GOSISDBHSA-N 281.399 3.832 0 40 CHAB O=C(Nc1ccccc1F)OC[C@@H]1C[C@H]2C=C[C@H]1C2 104171306 XHVOMUHAHXEEON-SRVKXCTJSA-N 261.296 3.586 0 40 CHAB CCOc1ccc(-c2oc3cc(C)ccc3c(=O)c2O)cc1 8783332 AXYJXSKPTBZVAC-UHFFFAOYSA-N 296.322 3.873 0 40 CHAB biogenic,in-vitro Cc1[nH]c2c(C(=O)N3CCC[C@@H](C)C3)cccc2c1C 24546628 VDHMKNKDDOKVTB-LLVKDONJSA-N 270.376 3.657 0 40 CHAB Cc1ccc(CCC(=O)NCc2cccs2)cc1Cl 24714169 PHMXJHGMOVRZAZ-UHFFFAOYSA-N 293.819 3.959 0 40 CHAB CCCc1nnc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)s1 27794616 CCYHTJJSQDDHTQ-PWSUYJOCSA-N 293.436 3.668 0 40 CHAB Cc1ccc(-c2ccnc(SC(F)F)n2)cc1 1405293 QSYLSBOWWWIXGH-UHFFFAOYSA-N 252.289 3.767 0 40 CHAB O=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1 1560283 IDLXBFUTWNUDIE-KAMYIIQDSA-N 281.336 3.928 0 40 CHAB CCN[C@H](c1cccnc1)c1csc2ccccc12 35555080 ZXCNYYLWJALIOX-MRXNPFEDSA-N 268.385 3.995 0 40 CHAB in-vitro CNC(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 48299704 VZUCCUMEXYNVSD-SFHVURJKSA-N 294.398 3.824 0 40 CHAB COc1ccc2c(CNc3ccccc3C)cc(=O)oc2c1 2117097 IDVHPLKTLLABGB-UHFFFAOYSA-N 295.338 3.722 0 40 CHAB biogenic COc1cccc2cc([C@@H](C)NC(=O)CC(C)C)oc12 25139353 ICBJAOZGAPUTSN-LLVKDONJSA-N 275.348 3.665 0 40 CHAB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]1[C@@H]2C 100244591 VRAQFSFGVZLHAG-IWTOIMFPSA-N 286.371 3.951 0 40 CHAB Cc1nc2ccc(C(=O)NCCC3CCCC3)cc2nc1C 12883914 ZVGPNNKVQIAKMX-UHFFFAOYSA-N 297.402 3.557 0 40 CHAB CCc1sc(C(=O)N2CCc3ccccc32)cc1C 3455992 KPGKYXJUDJZUCU-UHFFFAOYSA-N 271.385 3.822 0 40 CHAB O=C(Nc1nc(-c2cccs2)cs1)c1ccco1 3533677 RZHPJEILHBVTOB-UHFFFAOYSA-N 276.342 3.717 0 40 CHAB CC[C@H]1CCCCN1C(=O)Cc1c(F)cccc1Cl 13326503 BXBJGRAWBIXTNI-NSHDSACASA-N 283.774 3.813 0 40 CHAB CCC(=O)N1c2ccccc2[C@@H]2OCC[C@@H]2[C@@H]1c1ccco1 4044932 GMILVLBJMWHFQE-XWIAVFTESA-N 297.354 3.855 0 40 CHAB biogenic COc1ccc(NC[C@@H]2CCc3ccccc3C2=O)cc1 6296439 RJJNAJKCJVYRTR-AWEZNQCLSA-N 281.355 3.552 0 40 CHAB Cc1cccc(NC(=O)Cn2c(C)cc3ccccc32)c1 6967373 PUPNECSSPBSQDY-UHFFFAOYSA-N 278.355 3.897 0 40 CHAB CC(=O)c1cccc(NC(=S)N[C@@H]2CCCC[C@H]2C)c1 7528428 UGJWSICJEZICSU-IAQYHMDHSA-N 290.432 3.754 0 40 CHAB COc1ccccc1NCCC(=O)Nc1cccc(C)c1C 7779363 BJGIJBMLCCIDFH-UHFFFAOYSA-N 298.386 3.753 0 40 CHAB CCCCSc1nnc2ccc3ccccc3n12 7997317 ZFBFEKUPDHQLLC-UHFFFAOYSA-N 257.362 3.775 0 40 CHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NC1CCCCC1 8726552 GGXMPKTYFNBWNA-UHFFFAOYSA-N 297.830 3.563 0 40 CHAB O=C(O)[C@H]1C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 70453150 GZOFCJUFGOWQES-BQBZGAKWSA-N 264.630 3.547 0 40 CHAB CCN1CCCC[C@H]1c1cccnc1NCC(C)C 72213271 BVJKSJNEVTYBPE-HNNXBMFYSA-N 261.413 3.696 0 40 CHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccccc2C)on1 72395093 DWKJTWUWMRFOQT-MAUKXSAKSA-N 284.403 3.792 0 40 CHAB Cc1ccc(C(=O)NCCOc2ccc(C(C)C)cc2)o1 40121726 KIYCPKMPQXQSBE-UHFFFAOYSA-N 287.359 3.520 0 40 CHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C(C)C 225216792 GEIBTSOAXYNINH-SMDDNHRTSA-N 283.799 3.658 0 40 CHAB CC(C)OCCC[S@@](=O)c1ccc2ccccc2c1 195579560 FYGRZDISSCCLOG-LJQANCHMSA-N 276.401 3.763 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)Cc1ccccc1F 45671285 LJLRHDPQUVTREN-CQSZACIVSA-N 285.362 3.506 0 40 CHAB CC[C@@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1 225271764 ULFMDIHWHJCMER-MRVPVSSYSA-N 276.327 3.790 0 40 CHAB O=C(c1cc(F)cc(Cl)c1)c1cc(F)ccc1F 95916195 HQCAONLHDZTHDT-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB O=C(c1ccc(SC(F)(F)F)cc1)c1nccs1 95739889 CKOFOYYTRPYXRW-UHFFFAOYSA-N 289.303 3.986 0 40 CHAB O[C@@H](CCC1OCCCO1)c1ccc(Cl)c(Cl)c1 95728447 MAXBDUANUPXMJZ-LBPRGKRZSA-N 291.174 3.570 0 40 CHAB C[C@H](N)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 242463508 DDJQFAXXZPWWOV-KKXDTOCCSA-N 267.372 3.716 0 40 CHAB Cc1nc(Cc2ccccc2)sc1C(=O)NC(C)(C)C 31867908 FPBQQFSIEABWJA-UHFFFAOYSA-N 288.416 3.571 0 40 CHAB O=C(Nc1ccc2c(c1)NCCC2)c1ccccc1Cl 69052967 CWZNMHRJUJVYAS-UHFFFAOYSA-N 286.762 3.950 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)c(OC)c1 147237 RMNMIXXTCGKZCU-YRNVUSSQSA-N 297.354 3.664 0 40 CHAB CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@@]12C 5276317 CPKPUIIUQANSBI-ISCRGKCDSA-N 262.393 3.633 0 40 CHAB Cc1ccc(C(=O)NCCC(C)C)cc1-n1cccc1 11328144 BTHZXZLKFAROLN-UHFFFAOYSA-N 270.376 3.562 0 40 CHAB CCc1nn2c(C)cc(C)nc2c1-c1ccc(OC)cc1 12115660 VRXNCFJOJCCUGQ-UHFFFAOYSA-N 281.359 3.584 0 40 CHAB COc1ccc([C@H]2OC(C)(C)[C@H]3CC(=O)[C@H](C)[C@H]2C3)cc1 2037849777 IGGLTWUWFUHLOX-WBMRYOJMSA-N 288.387 3.777 0 40 CHAB Fc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1 385565 JGIFJSVBVLQDRQ-UHFFFAOYSA-N 296.330 3.659 0 40 CHAB O=C(OCc1cc(-c2cccs2)on1)c1cccs1 7550272 QMPUBQUNAFRCKU-UHFFFAOYSA-N 291.353 3.822 0 40 CHAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)C1CC1 7599244 PEUDUYKPQQZHFR-UHFFFAOYSA-N 284.340 3.905 0 40 CHAB CCCC[C@H](CC)C(=O)c1ccccc1C(=O)OC 575362546 XDOCZBCIWFBNIC-LBPRGKRZSA-N 262.349 3.872 0 40 CHAB Fc1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 40161836 XAXDMNDPZRTETQ-NSHDSACASA-N 261.262 3.600 0 40 CHAB Cc1ccccc1CN1CCC([C@H](O)c2ccccc2)CC1 40046915 PLZHRZSVOWBXNO-HXUWFJFHSA-N 295.426 3.941 0 40 CHAB CC[C@@H]1c2ccsc2CCN1Cc1cc(C)on1 40012124 KEFKSLIQUMOCGK-CYBMUJFWSA-N 262.378 3.554 0 40 CHAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NCc1ccccc1 42003 VGEGJYBLUKXPBR-YPMHNXCESA-N 298.213 3.894 0 40 CHAB COc1ccc(Cl)cc1CSc1nnc(C)s1 32776055 JIECJHKIXSXHLT-UHFFFAOYSA-N 286.809 3.801 0 40 CHAB CC(=O)c1cccc(OCCCOc2ccccc2)c1 32741492 YUERXRVSOMZIOQ-UHFFFAOYSA-N 270.328 3.737 0 40 CHAB O=C1c2ccccc2CC[C@]12O[C@H]2c1ccc(Cl)cc1 163826 PNULDHLWNWEBIT-IRXDYDNUSA-N 284.742 3.979 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 364778 RLBRGEOCFUZKEI-CQSZACIVSA-N 269.344 3.709 0 40 CHAB CC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 417777 JRZGFWHWFNZTFU-UHFFFAOYSA-N 298.367 3.956 0 40 CHAB CCSc1ccccc1C(=O)N1CCc2ccccc2C1 611798 KQBMWXWRFJMOLG-UHFFFAOYSA-N 297.423 3.997 0 40 CHAB CCCCN[C@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 1667054 OOKFNBJFELGWFO-RTBURBONSA-N 299.414 3.860 0 40 CHAB CN(Cn1nc(-c2ccco2)oc1=S)C1CCCCC1 3364506 KJGVLHJZOJYHSA-UHFFFAOYSA-N 293.392 3.688 0 40 CHAB Cc1ccc([C@H](Nc2ccc(C)c(C)c2)C(=O)O)cc1 4244781 BFZVFNTZICXKTP-INIZCTEOSA-N 269.344 3.850 0 40 CHAB CCC[C@@H](C)C(=O)Nc1nnc(Cc2ccccc2)s1 4694454 XEXHTVZFDVCIRH-LLVKDONJSA-N 289.404 3.504 0 40 CHAB Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)c(C)c1 5034235 RWLPZZAXKIWBEA-UHFFFAOYSA-N 279.339 3.718 0 40 CHAB O=C(Nc1ccc(F)cc1)c1ccccc1OC(F)F 5558727 ZVFRKKBFBZZTNO-UHFFFAOYSA-N 281.233 3.679 0 40 CHAB CC[C@@H](C)NC(=O)COc1ccc(-c2ccc(C)cc2)cc1 5655235 IUMMEJSOHOURLT-OAHLLOKOSA-N 297.398 3.956 0 40 CHAB C[C@@H]1CC(C)(C)NC(c2ccc(C(C)(C)C)cc2)=N1 5763513 JVXRNEHSONZKJO-GFCCVEGCSA-N 258.409 3.891 0 40 CHAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCO1 6340047 HFGDXMIULQMCIP-INIZCTEOSA-N 283.327 3.596 0 40 CHAB Cc1cc(-c2ccc(-n3cncn3)cc2)nc2ccccc12 8194644 JMZKUEOPYKPEGB-UHFFFAOYSA-N 286.338 3.791 0 40 CHAB O=C(Cc1ccccc1F)Nc1ccc(O)c2ccccc12 8750612 UDGXATLCHOJLFH-UHFFFAOYSA-N 295.313 3.866 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)s1 11510340 LHXBEYZUAXINDE-UHFFFAOYSA-N 297.326 3.588 0 40 CHAB Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)[nH]cnc12 12415036 YZJZGPVDJNPLOM-UHFFFAOYSA-N 293.351 3.508 0 40 CHAB Cc1ccc(-c2nc(C(=O)NCc3ccco3)cs2)cc1 12821765 VVGGQIOKDCYICY-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB Cc1ccc(CC(=O)N[C@@H](C)CCc2ccccc2)cc1C 13679084 YNFFDOAGIUXGPJ-KRWDZBQOSA-N 295.426 3.983 0 40 CHAB COCc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 15355816 JUFWICGVIFJQEU-UHFFFAOYSA-N 295.382 3.964 0 40 CHAB O=C(O)CS[C@H](Nc1ccccc1)c1ccccc1 16758427 AXKINVNDJGKGGD-HNNXBMFYSA-N 273.357 3.615 0 40 CHAB CNc1ncnc2sc(C)c(-c3ccccc3)c12 19926668 HWIDJTMBQWIILG-UHFFFAOYSA-N 255.346 3.708 0 40 CHAB CC(C)(C)OC(=O)n1cc([C@@H]2CCCN2)c2ccccc21 22015024 SEAWAAMMZNLDCH-AWEZNQCLSA-N 286.375 3.849 0 40 CHAB CC(C)(C)c1nc2ccc(NC(=O)c3ccco3)cc2[nH]1 32465258 SQSVNBWEULQYHI-UHFFFAOYSA-N 283.331 3.706 0 40 CHAB Cn1cccc1[C@@H]1CCCN1Cc1cccc2cccnc12 32901351 BQOIKWIZARSYFR-SFHVURJKSA-N 291.398 3.910 0 40 CHAB C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 32978368 RRFBOSYOUDJSBL-KSSFIOAISA-N 295.382 3.710 0 40 CHAB O=C(O)C[C@@H](c1ccc(F)cc1)C1CCCCC1 36139889 FMSZDMSJKLPQBW-CQSZACIVSA-N 250.313 3.964 0 40 CHAB Cc1ccc(Br)cc1NCc1ccco1 37091173 GXWXHKOPUWLAIG-UHFFFAOYSA-N 266.138 3.963 0 40 CHAB COC(=O)c1sc(NC2CCCCCC2)nc1Cl 37563333 CVDUXBCHVYSUCI-UHFFFAOYSA-N 288.800 3.718 0 40 CHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccccc1F 45954206 SXTXKNSFJDSIII-SWLSCSKDSA-N 294.370 3.543 0 40 CHAB CC(C)CCO[C@@H](C)C(=O)Nc1ccccc1Cl 58210703 KNOCNMDNDVMFGW-NSHDSACASA-N 269.772 3.730 0 40 CHAB CC(C)c1ccc(CN(C(=O)[C@@H]2C[C@H]2C)C2CC2)cc1 61224133 WUPIRIUYUUQDCQ-CXAGYDPISA-N 271.404 3.957 0 40 CHAB O=C(Nc1ccc2c(c1)CCN2)c1cc2ccccc2o1 63188017 SNZFKUQLFQLITF-UHFFFAOYSA-N 278.311 3.653 0 40 CHAB CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 69451752 MCOPFALSNXBZAU-CJNGLKHVSA-N 299.418 3.766 0 40 CHAB CCOC(=O)c1c(-n2cccc2)sc2c1CC[C@H](C)C2 70451588 QXAIATVFMCLRKD-NSHDSACASA-N 289.400 3.840 0 40 CHAB Cc1ccncc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72211393 GQEFIBARVIANDW-KRWDZBQOSA-N 296.370 3.864 0 40 CHAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCCN1C 72219295 UYHMXXMEPCPVBC-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB CC[C@@H](N)c1cnc(Sc2ccccc2)c(C)c1 72222153 LQGNYGPUZJQSKM-CQSZACIVSA-N 258.390 3.951 0 40 CHAB O=C(c1ccccc1)c1ccc(OCc2ccccc2)nc1 72225386 WMGBYOFDCHJIFC-UHFFFAOYSA-N 289.334 3.892 0 40 CHAB Cc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)nc1 72242853 KDNGTBLJRTXMPH-UHFFFAOYSA-N 294.354 3.934 0 40 CHAB CC(C)Oc1c(F)c(F)c(OC(C)C)c(F)c1F 72265785 AUVSSEIYDVBHOC-UHFFFAOYSA-N 266.234 3.817 0 40 CHAB CCC[C@H]1[C@H](C)CCCN1C(=O)CCc1cscn1 81179279 LZCMNAXMKRTWKM-OCCSQVGLSA-N 280.437 3.503 0 40 CHAB C[S@@](=O)c1ccc(CNc2ccccc2Cl)cc1 83990339 QCKDGSNVACBCRU-SFHVURJKSA-N 279.792 3.690 0 40 CHAB CC(C)CO[C@@H]1C[C@@H](OC(=O)c2ccccc2F)C1(C)C 84544352 AWIRHGANWZPAOK-HUUCEWRRSA-N 294.366 3.822 0 40 CHAB CCOC(=O)c1c(OC)c(Cl)c2ccccc2c1OC 85392716 MJOIXIHEEWRORV-UHFFFAOYSA-N 294.734 3.687 0 40 CHAB c1ccc([C@H]2C[C@@H]2CNc2cccc(-c3nc[nH]n3)c2)cc1 89828038 JYWRFNAJEBVZNX-NVXWUHKLSA-N 290.370 3.687 0 40 CHAB C[C@H]1C[C@H](NC2CCC(O)CC2)c2ccsc2S1 90800607 AZZSPCXBAGUEBL-YUVKLTJASA-N 283.462 3.567 0 40 CHAB CCOc1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1 96318520 BWAYJXABUWGJGB-ZDUSSCGKSA-N 269.344 3.828 0 40 CHAB Nc1nc([C@@]23C[C@@H]4C[C@@H](C[C@@](Cl)(C4)C2)C3)cs1 107104781 TXTLCPGTCAUVNV-JDNZLRHBSA-N 268.813 3.555 0 40 CHAB CCCCN(CC)C(=O)c1cnn(Cc2ccccc2)c1C 122341135 ODAFGYNVNVXXGF-UHFFFAOYSA-N 299.418 3.502 0 40 CHAB O[C@@H](c1ccc(Cl)cc1Br)C(F)(F)F 166088927 KNGKJEAJYVSAIV-ZETCQYMHSA-N 289.478 3.698 0 40 CHAB C[C@H]1CC(=O)c2cnn(-c3ccc(Cl)c(Cl)c3)c2C1 199728712 IVELVYPQTVLZDG-MRVPVSSYSA-N 295.169 3.944 0 40 CHAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCC[C@@H](C)C1 216388454 ULKBSADSYNNOCV-HUUCEWRRSA-N 289.419 3.836 0 40 CHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(Cl)c1 225694929 SLQNOFHLLPZXMZ-OAHLLOKOSA-N 299.798 3.882 0 40 CHAB O=C(O)c1ccccc1-c1ccc(CNc2ccccn2)o1 257236697 HDGPTYGPXGROQG-UHFFFAOYSA-N 294.310 3.652 0 40 CHAB O=C(O)/C=C/c1nc(-c2ccc(Cl)cc2)n2ccccc12 64909 LTTFKBSFXHIBIH-CMDGGOBGSA-N 298.729 3.753 0 40 CHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)cc1 130320 YNCQUZFZSSIMQF-UHFFFAOYSA-N 289.400 3.667 0 40 CHAB Cc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 430136 BMRJRQLBPDFSIO-WJDWOHSUSA-N 277.323 3.648 0 40 CHAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccccc1 1725467 ZRLNSNULNMARCC-HUUCEWRRSA-N 292.787 3.670 0 40 CHAB O=C(O)CCCCC(=O)c1ccc(Cl)c(Cl)c1 2579863 GHVRWDKISNQXJT-UHFFFAOYSA-N 275.131 3.821 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 3561457 SLHCMFUATGDMBT-UHFFFAOYSA-N 279.261 3.919 0 40 CHAB c1ccc(-c2c[nH]c(SCc3ccccn3)n2)cc1 4555873 KHLGTUHTCJDPDU-UHFFFAOYSA-N 267.357 3.764 0 40 CHAB C[C@H]1C[C@H](C)CN(CCOCCSc2ccccc2)C1 4568468 RHUQQLBVJSNVLJ-HOTGVXAUSA-N 293.476 3.773 0 40 CHAB CCCCc1nnc(NC(=S)Nc2ccccc2)s1 5375122 AOUVNRDOGHDOAO-UHFFFAOYSA-N 292.433 3.690 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 5529953 VMYTXBKVYDESSJ-VNTOXUBHSA-N 288.431 3.879 0 40 CHAB biogenic C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 5862017 FKASCKMAGNBKCY-JTQLQIEISA-N 293.725 3.885 0 40 CHAB CCc1ccc(NC(=O)Cn2ccc3ccccc32)cc1 6225310 YUWTUZNXHKPNQH-UHFFFAOYSA-N 278.355 3.842 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 6500184 SEDRVEWTPRTLOZ-DYKIIFRCSA-N 288.431 3.879 0 40 CHAB COc1cccc(NC(=O)c2ccc(N3CCCC3)cc2)c1 7382986 DFNLQBFYJBSQFR-UHFFFAOYSA-N 296.370 3.548 0 40 CHAB COc1cccc(CNCc2ccccc2Cl)c1OC 8495196 XUIFGHJTWLEOMW-UHFFFAOYSA-N 291.778 3.647 0 40 CHAB O=C(Nc1ccncc1)c1cc2cc(Cl)ccc2o1 9306645 CRCIMPMODQFERN-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB CCc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)o1 11027429 CGEQWIXHNLCIAZ-UHFFFAOYSA-N 293.326 3.551 0 40 CHAB Cc1ccccc1NC(=O)c1cc(-c2ccccc2)on1 11916720 BYYNVRMAOAANPV-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)N(C)C 13135226 SYJNANLUGNEXDY-UHFFFAOYSA-N 295.795 3.550 0 40 CHAB CCc1ccc(NC(=O)c2ccc(OC)c(C)c2)cc1 14292001 LLLQARGAQKQLCP-UHFFFAOYSA-N 269.344 3.818 0 40 CHAB O=C(c1cccc(OCc2ccccc2)c1)N1CCCC1 14796027 HMWDGUAREHLNQE-UHFFFAOYSA-N 281.355 3.502 0 40 CHAB Fc1ccc(COc2cccc(CNC3CC3)c2)cc1 16399563 RQXFIBXSXDACIX-UHFFFAOYSA-N 271.335 3.657 0 40 CHAB CC(C)NC(=O)c1ccc(Oc2ccccc2)cc1 17300528 ZFNLXVQVZVUVMY-UHFFFAOYSA-N 255.317 3.617 0 40 CHAB O=C(O)[C@H](Sc1ccccc1F)c1ccccc1 19410680 LSWNWRLXKSNLNG-CYBMUJFWSA-N 262.305 3.744 0 40 CHAB in-vitro Nc1cc(Br)ccc1OC1CCCCC1 19845639 KQEKTXXPQPEAKS-UHFFFAOYSA-N 270.170 3.743 0 40 CHAB CSc1nc(Cl)c2c3c(sc2n1)CCCC3 19961001 QXNJTZAAMMEGBB-UHFFFAOYSA-N 270.810 3.945 0 40 CHAB Clc1cccc(OCC[C@H]2CCCCN2)c1Cl 20221550 WRRWENKACABDCY-SNVBAGLBSA-N 274.191 3.904 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1Cl 21125406 LITKHWGQVBTKDK-NSHDSACASA-N 289.762 3.840 0 40 CHAB CCC(CC)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 23078518 YTAQRVSCADKSQN-UHFFFAOYSA-N 297.402 3.668 0 40 CHAB CC(C)=CC(=O)N1CCC(c2nc3ccccc3o2)CC1 23154578 IEKDDNKIASUZMW-UHFFFAOYSA-N 284.359 3.500 0 40 CHAB O=C(NC1CCCCCCC1)c1ccc(F)c(F)c1F 28210659 BEAJYNATYWVKRD-UHFFFAOYSA-N 285.309 3.947 0 40 CHAB CCCn1nccc1C(=O)Nc1ccc(C(F)(F)F)cc1 28246666 IJVFLCMZMPUZPI-UHFFFAOYSA-N 297.280 3.564 0 40 CHAB COCc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 29143897 RIJFKTSIQPYHRX-ZHACJKMWSA-N 281.355 3.793 0 40 CHAB CCn1cc(C(=O)NC2CCC(C)CC2)c2ccccc21 32784649 FGMXRLOCFMOMML-UHFFFAOYSA-N 284.403 3.970 0 40 CHAB Cc1ccc2nc(-c3cncc(Br)c3)[nH]c2c1 41066092 QIFUBLVXUQXQFR-UHFFFAOYSA-N 288.148 3.696 0 40 CHAB CCOC(=O)c1ccc(F)c(Oc2ccccc2)c1 44200881 CHLWICBUVNUHRC-UHFFFAOYSA-N 260.264 3.795 0 40 CHAB CCOc1ccc(Cl)cc1NC(=O)CC(F)(F)F 48314455 MQUSHWYNYDFAGI-UHFFFAOYSA-N 281.661 3.630 0 40 CHAB Cc1ccccc1CN1CCC(c2nnc(C(C)C)o2)CC1 49377128 PHGKOQIYAGYTPI-UHFFFAOYSA-N 299.418 3.881 0 40 CHAB O=C(Nc1ccc(Oc2ccncc2)cc1)C1CCC1 50490449 KXLKQDIWHQWFLE-UHFFFAOYSA-N 268.316 3.613 0 40 CHAB CC1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 54584460 SHQJVVHZBDIABA-UHFFFAOYSA-N 298.386 3.533 0 40 CHAB CC(C)C(=O)NCc1cccc(COc2ccccc2)c1 55991012 TVDIYJQQNPBRAI-UHFFFAOYSA-N 283.371 3.538 0 40 CHAB CC(C)[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 57160110 MSJBBPZPROUOTO-GHMZBOCLSA-N 285.840 3.981 0 40 CHAB CCc1nc(C)c(C(=O)NC(C)(C)CC(C)(C)C)s1 64906370 NCMRLXJATYSQNA-UHFFFAOYSA-N 282.453 3.959 0 40 CHAB CCCCN1CCC[C@@H]1c1cccnc1SC 72216946 YQWDNOXRJQFJGA-CYBMUJFWSA-N 250.411 3.741 0 40 CHAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1C(C)C 72218859 IGWTYMXQMZRNKD-INIZCTEOSA-N 273.424 3.536 0 40 CHAB C[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)[C@@H](c2ccco2)C1 75388737 KFKLXQUBBKVNPA-QLFBSQMISA-N 291.391 3.538 0 40 CHAB Brc1ccc(SC2C[C@@H]3CC[C@H](C2)N3)cc1 95908596 GXVFKTIJODGSDA-QYJAPNMZSA-N 298.249 3.824 0 40 CHAB Cc1ccccc1OCCN(C)c1ncc(Cl)s1 96003752 WOYFEBHLLYWWCQ-UHFFFAOYSA-N 282.796 3.620 0 40 CHAB COc1ccc(-c2coc3ccc(O)cc23)cc1OC 96116523 MBPQNPPFWNQBEW-UHFFFAOYSA-N 270.284 3.823 0 40 CHAB biogenic CC(C)Cn1ncc2cc(Br)c(Cl)nc21 96511250 DEYZKHQMPACILC-UHFFFAOYSA-N 288.576 3.503 0 40 CHAB Nc1cc(Cl)c(NCc2ccncc2)c(Cl)c1 96524277 CDXFSADKVAFQBK-UHFFFAOYSA-N 268.147 3.583 0 40 CHAB Cc1nnc([C@@H](C)N[C@H](C)c2oc3ccccc3c2C)o1 97111911 JMRABMWVCWFGKU-GHMZBOCLSA-N 285.347 3.844 0 40 CHAB CCCCO[C@@H](C)OC(C(F)(F)F)C(F)(F)F 98210586 ULORQHDOIIRRSJ-ZCFIWIBFSA-N 268.197 3.659 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CNc1ccccc1)C2 100720139 VWXHTADNWYJLIR-JOQOYGCGSA-N 287.403 3.857 0 40 CHAB COc1cccc(NC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 100796307 XADCVSJYYXXUHF-VPWBDBDCSA-N 288.391 3.641 0 40 CHAB CCCn1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)nc2ccccc21 102864015 KUNWDXMSOCRNOV-MCIONIFRSA-N 297.402 3.821 0 40 CHAB CC(C)Oc1ccccc1C(=O)Cc1ccccc1 129556483 OHFPEXYZKPFNHP-UHFFFAOYSA-N 254.329 3.899 0 40 CHAB Cc1c(-c2cccc(F)c2)nn(Cc2ccccc2)c1N 199750522 PSTYZKXHNBYQKQ-UHFFFAOYSA-N 281.334 3.628 0 40 CHAB CCc1ccc(CC(=O)N(CC)Cc2ccccc2)cc1 225257807 WLKXBHRSBIDRJH-UHFFFAOYSA-N 281.399 3.840 0 40 CHAB Fc1ccccc1NC(=S)NC1(C2CC2)CCCC1 225851148 ZVTVUMHUCPVFAZ-UHFFFAOYSA-N 278.396 3.835 0 40 CHAB Clc1nc2c(Cl)c(Br)ccc2[nH]1 238565653 SJZIHGHELJUCBO-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB COc1ccc(CNc2cnn(C3CCCC3)c2)cc1 256051742 KJYOQULBYBSGNX-UHFFFAOYSA-N 271.364 3.619 0 40 CHAB Cc1cnc([C@H]2CCCN(C(=O)c3ccsc3)C2)s1 257211523 BZFFIOUKQFDZCF-NSHDSACASA-N 292.429 3.533 0 40 CHAB O=C(CCCCl)c1c(F)cc(Br)cc1F 389380698 CISBAWYQVCFPRT-UHFFFAOYSA-N 297.526 3.929 0 40 CHAB CCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 575598454 ALSYVNZHMWPPNW-OAHLLOKOSA-N 265.784 3.678 0 40 CHAB in-vitro O=c1cc(-c2ccc3c(c2)OCCCO3)oc2ccccc12 517243 MYHSGGYVGAJQAA-UHFFFAOYSA-N 294.306 3.621 0 40 CHAB biogenic O=C(Nc1ccccc1Cl)OCc1cncs1 1403738 SALSYBKMNINXEC-UHFFFAOYSA-N 268.725 3.545 0 40 CHAB CC(C)CNC[C@@H](O)Cc1ccc(Oc2ccccc2)cc1 1672749 OYOADQBFRGBQPZ-KRWDZBQOSA-N 299.414 3.628 0 40 CHAB CC(=O)O[C@H]1CCCCCCCCCCC12OCCO2 2032026 KKRNRLDCIJOKGF-HNNXBMFYSA-N 284.396 3.576 0 40 CHAB CC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl 2041187 SXHQLHGHMREHMX-UHFFFAOYSA-N 297.565 3.977 0 40 CHAB c1ccc(CNc2cc(NCc3ccccc3)ncn2)cc1 3106619 NNLYTCIUPFUAFH-UHFFFAOYSA-N 290.370 3.701 0 40 CHAB CNc1sc2c(c1C(=O)c1ccccc1)CCCC2 3901871 DFTXQILRMNYKEI-UHFFFAOYSA-N 271.385 3.900 0 40 CHAB COc1ccc([C@@H]2OCCC3(CCCCC3)O2)cc1 4844166 FOWCOJSCFPMEBD-OAHLLOKOSA-N 262.349 3.834 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 5468560 CACPCHOMMQXGKX-DTWKUNHWSA-N 290.190 3.675 0 40 CHAB O=C(O)[C@H](Cc1cccc2ccccc12)C[C@@H]1CCCO1 6118663 VEJYFDMNWGFBCT-CVEARBPZSA-N 284.355 3.652 0 40 CHAB in-vitro N=C(N)SCCSc1cc(Cl)ccc1Cl 6881320 OPLDORDWIZMGSB-UHFFFAOYSA-N 281.233 3.712 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2)c1 7069000 QVUXNSNCKGZLHX-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB Cc1cccc(C)c1NC(=O)Cc1ccccc1F 7406919 YXAZNLPUBSBJCD-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB Cc1ccc(Cl)cc1Nc1nc(C)c(C(=O)O)s1 8024598 XKMAWLWNHUOVEJ-UHFFFAOYSA-N 282.752 3.855 0 40 CHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(F)cc1 8041646 KVTFILGEZBIRLL-AWEZNQCLSA-N 291.297 3.761 0 40 CHAB O=c1[nH]c(=S)[nH]c2c1[C@H](C1CCCC1)Cc1ccccc1-2 8553812 MUNVOGVGJHJIBF-ZDUSSCGKSA-N 298.411 3.929 0 40 CHAB O=C(Nc1ccccc1C1CC1)c1cccc(F)c1 9028528 OUAHWZOATVRTSS-UHFFFAOYSA-N 255.292 3.955 0 40 CHAB COc1ccc([C@@H]2C[C@@H]2C(=O)c2nc3ccccc3[nH]2)cc1 9913679 WWSLKYBYLDZCGQ-KBPBESRZSA-N 292.338 3.558 0 40 CHAB c1ccc([C@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 10087056 HJVJZAHVCAGRHE-CQSZACIVSA-N 295.342 3.667 0 40 CHAB CCc1nn2c(O)cc(C)nc2c1-c1ccc(Cl)cc1 12115658 WKKCGWCGPOHYPX-UHFFFAOYSA-N 287.750 3.626 0 40 CHAB c1ccc(-c2cc(CN3CCc4ccccc4C3)on2)cc1 12797482 QYLYBCBMJQCYIJ-UHFFFAOYSA-N 290.366 3.900 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 13023738 PWQDMRIBILHQAA-GJZGRUSLSA-N 295.382 3.740 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H]1CCCCC1=O 13410645 SIAFUAYUXXTABY-HLPPOEQASA-N 295.423 3.685 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1C 13582325 HSKVAYONJJVTNS-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB O=C(NCCOc1ccccc1)Nc1cccc(Cl)c1 14244464 IPHPFFZLKJUPJI-UHFFFAOYSA-N 290.750 3.541 0 40 CHAB O=C(O)c1nc2ccccc2cc1OCc1ccccc1 14508056 BJWCXGSEOMOVMN-UHFFFAOYSA-N 279.295 3.512 0 40 CHAB C[C@@H]1CCC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C1 19842488 ZURHLWABVSCWRZ-QAPCUYQASA-N 290.426 3.522 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccccc1C 19957849 ODSGGAAYPQHRQF-SFHVURJKSA-N 292.382 3.720 0 40 CHAB Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 21960994 JCOFLGNEALOEAJ-UHFFFAOYSA-N 298.239 3.679 0 40 CHAB CCCC(=O)Nc1cccc(-c2csc(C)n2)c1 23228539 ONNNLIFPLKTOEO-UHFFFAOYSA-N 260.362 3.857 0 40 CHAB Cc1ccnc(NC(=O)c2csc3c2CC[C@H](C)C3)c1 27647210 RLTOLDVKVFKJFJ-JTQLQIEISA-N 286.400 3.829 0 40 CHAB C=Cc1c(N)c(-c2nc3ccccc3[nH]2)c2ccccn12 28047644 DEHPHJMMQHVULX-UHFFFAOYSA-N 274.327 3.708 0 40 CHAB Cc1ccccc1C(=O)Nc1ccnn1Cc1cccs1 28405254 QMBPNZPEETYXSG-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB O=C(NC1CCC(C(F)(F)F)CC1)c1ccccc1F 32902206 IFKQDAPXMQNRPX-UHFFFAOYSA-N 289.272 3.677 0 40 CHAB OC1CCC(NCc2ccc(-c3ccccc3)s2)CC1 34995133 QLSOFUOTXRASTL-UHFFFAOYSA-N 287.428 3.808 0 40 CHAB Oc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 37442056 SVFKAMFTYKXDLW-UHFFFAOYSA-N 289.132 3.698 0 40 CHAB Cc1cc(F)ccc1NC(=O)N[C@H]1CCCC[C@@H]1C 40103561 FGWAFLGSGJQXJO-GWCFXTLKSA-N 264.344 3.834 0 40 CHAB CCc1ccc2oc(-c3ccc(-n4cnnc4)cc3)nc2c1 40542225 ARSIQZUHCBGEGN-UHFFFAOYSA-N 290.326 3.638 0 40 CHAB CC1(C)CC[C@@H](NC(=O)C2CCC2)c2ccccc21 49479817 YFHFNOGQAXOIJO-OAHLLOKOSA-N 257.377 3.715 0 40 CHAB CCc1ccc(OCC(=O)NC(C)(C)CC(C)(C)C)cc1 60622291 DRIIBGMZJDVIMT-UHFFFAOYSA-N 291.435 3.959 0 40 CHAB CC[C@@H](C)n1c(CCC(=O)O)nc2cc(Cl)ccc21 64874421 RMXSVVOAOOSFKN-SECBINFHSA-N 280.755 3.678 0 40 CHAB COc1cccc(-c2cc(-c3cccc(F)c3)nc(N)n2)c1 71977886 HAAJNHKBBHENKP-UHFFFAOYSA-N 295.317 3.541 0 40 CHAB CC(C)CN1CCC[C@@H]1c1cccnc1Br 72211614 JXWLYYIGNWYILH-GFCCVEGCSA-N 283.213 3.637 0 40 CHAB CC(=O)N1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 72214191 RQHUCBSWIVXOJZ-QGZVFWFLSA-N 295.386 3.533 0 40 CHAB CC1CCC(N(C(=O)Nc2nccs2)C2CC2)CC1 75092388 KQIMLGUHKLFTEN-UHFFFAOYSA-N 279.409 3.718 0 40 CHAB CC(C)NCc1ccccc1OCCC(F)(F)F 80936589 BSHWBOKCAZFYQJ-UHFFFAOYSA-N 261.287 3.516 0 40 CHAB O=C1c2ccncc2CN1c1c(Cl)cccc1Cl 95630975 WGOHOYXWOVJABS-UHFFFAOYSA-N 279.126 3.549 0 40 CHAB CC(C)(C)Oc1cc(Br)cc(F)c1F 95915378 OEQGSQDSZGWYBF-UHFFFAOYSA-N 265.097 3.905 0 40 CHAB Cc1nc2cc(NC(=O)Nc3ccc(O)cc3C)ccc2o1 97104793 OAWPTXPPUMOWLV-UHFFFAOYSA-N 297.314 3.794 0 40 CHAB CC(=O)N(C)c1cccc(N[C@H]2CCc3ccccc32)c1 97231977 HLHDOGRZYVSAEE-SFHVURJKSA-N 280.371 3.769 0 40 CHAB C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cccnc2)C1 98014240 TULAAQGZLPNOMG-MLGOLLRUSA-N 299.349 3.836 0 40 CHAB O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@H]2CC[C@H]1C2 108065343 TVRCFPMUENFIGO-WCFLWFBJSA-N 299.399 3.580 0 40 CHAB COC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCCC1 225626774 RZUGRJIWXUOEHR-UHFFFAOYSA-N 291.391 3.680 0 40 CHAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Cl)cc1 254478617 FCUJTLQCFAGEOA-SDDRHHMPSA-N 278.783 3.898 0 40 CHAB C[C@@H]1CC(C)(C)N([C@H](C)C(=O)O)c2ccc(Cl)cc21 260616280 HQKPWHIZXTUCIB-NXEZZACHSA-N 281.783 3.905 0 40 CHAB FC(F)(F)Sc1ccc(N=c2cc[nH]cc2)cc1 1173882218 CDRCVQZQCLQUFU-UHFFFAOYSA-N 270.279 3.859 0 40 CHAB COC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 33133 IXQAIAXXKPYVGJ-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 524025 CTXJXISVBMNYFP-UHFFFAOYSA-N 284.388 3.901 0 40 CHAB aggregator CC(=O)n1nc(C)c(-c2onc3ccc(Cl)cc23)c1C 1865727 RNPSGZSUQLQRQC-UHFFFAOYSA-N 289.722 3.622 0 40 CHAB O=C(Nc1ccc(O)cc1)c1cc2ccccc2cc1O 3190822 VSGDHUXKHRQXMJ-UHFFFAOYSA-N 279.295 3.503 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)NCC2CCCCC2)n1 3435183 BSDGKYXGTMXDCW-NSHDSACASA-N 298.477 3.629 0 40 CHAB Cc1cccc(C(=O)c2cccc(Br)c2)c1 4241917 PTWRTCSPNXUZJZ-UHFFFAOYSA-N 275.145 3.989 0 40 CHAB Clc1ccccc1OCCCn1nnc2ccccc21 4487654 MFAMIQNVDKWGLA-UHFFFAOYSA-N 287.750 3.554 0 40 CHAB CCCCCCN(CCCCCC)S(=O)(=O)CC 6042119 PNNSSDOYSOZECR-UHFFFAOYSA-N 277.474 3.799 0 40 CHAB COc1cc(C)c(NC(=O)CCc2ccccc2)cc1OC 7983449 CEXHKSMTRXWXIM-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB CCc1cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc2s1 7989910 HEBOYQBOOFLOGI-QWRGUYRKSA-N 275.421 3.736 0 40 CHAB CCCCc1nc(C)cc(Nc2ccccc2C(=O)O)n1 8702967 UDXQFEYPCHDPJQ-UHFFFAOYSA-N 285.347 3.569 0 40 CHAB C[C@H](CCc1ccco1)NC(=O)Nc1ccccc1F 9388557 WTQFWDCGCUKULC-LLVKDONJSA-N 276.311 3.562 0 40 CHAB Cc1cccc(OCC(=O)Nc2ccc(F)cc2Cl)c1 9721829 KZIXMQFFIRUOLA-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB CCc1ccc(CCC(=O)NC(C(C)C)C(C)C)cc1 10337533 GPTOPDXLMBRWTR-UHFFFAOYSA-N 275.436 3.978 0 40 CHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C)c1 11636839 OAIKWFSIEZBKJH-KRWDZBQOSA-N 299.370 3.800 0 40 CHAB O=[N+]([O-])/C=C\c1ccc(OCc2ccccc2)cc1 12368735 MSDHJAWQEZOXGV-KHPPLWFESA-N 255.273 3.513 0 40 CHAB COc1ccc(F)cc1C(=O)Nc1ccc(F)c(Cl)c1 12821884 UFOWMROWJJSBLI-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O 13548350 NVKAWKQGWWIWPM-BNFYIPGJSA-N 290.447 3.959 0 40 CHAB in-man Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2)cc1 15439577 MWNDYSOLKNCGAQ-UHFFFAOYSA-N 285.318 3.736 0 40 CHAB O=C1CCCC[C@@H]1C(=O)c1cccc(C(F)(F)F)c1 19229890 BWYSLFSOJBJMDK-NSHDSACASA-N 270.250 3.647 0 40 CHAB C[C@@H]1Oc2c(C(=O)NCC3CCCCC3)cccc2[C@@H]1C 23076292 XOVLRDGJKCZKTL-OLZOCXBDSA-N 287.403 3.881 0 40 CHAB C1=Cn2nc(/C=C/c3cccs3)nc2-c2ccccc2O1 25185583 QTDPREGPTFNGJK-BQYQJAHWSA-N 293.351 3.998 0 40 CHAB O=C(Nc1cc(-c2ccccc2)no1)c1cccs1 27664400 VOFKPEJBRDUDSN-UHFFFAOYSA-N 270.313 3.655 0 40 CHAB CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 27986995 PBHMKDUYKWHYEX-UHFFFAOYSA-N 295.361 3.740 0 40 CHAB COc1ccc([C@H]2CCCN2C(=O)C2CCCCC2)cc1 32819499 JDEHQSOHUPVRFQ-QGZVFWFLSA-N 287.403 3.939 0 40 CHAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CCC2)cc1C 35151812 CUEYKVVKAFIPMV-LLVKDONJSA-N 293.388 3.528 0 40 CHAB CCOc1ccc(C(=O)CSc2nc(C)cs2)cc1 35184841 RSMQDLPEUQBHJU-UHFFFAOYSA-N 293.413 3.825 0 40 CHAB Cc1cc(NC(=O)Nc2ccc(F)cc2)ccc1F 35963395 CHWXAWOJTKMBEB-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB Cc1nc(-c2ccc(-c3ccc(C(=O)O)cc3)c(C)c2)no1 38286261 NCYAKOVWIQBPGN-UHFFFAOYSA-N 294.310 3.719 0 40 CHAB C[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccccc1F 40460657 YRCQOMIWJPNDEV-GFCCVEGCSA-N 297.333 3.727 0 40 CHAB O=C(/C=C/c1ccco1)N(Cc1cccs1)C1CC1 58281043 YEMFPHCUTHNKJA-BQYQJAHWSA-N 273.357 3.546 0 40 CHAB CC(C)COc1ccccc1NC(=O)OCC(F)(F)F 65522888 JPSFNNMBQAEYTI-UHFFFAOYSA-N 291.269 3.832 0 40 CHAB COc1ccc2c(c1)CCCN(C(=O)Nc1ccccc1)C2 69536071 OXZHXNYPDFLRIY-UHFFFAOYSA-N 296.370 3.676 0 40 CHAB CN1CCC[C@@H](CSc2nnc(C3CCCCC3)o2)C1 71886129 MUDHWSTUTDHBPA-GFCCVEGCSA-N 295.452 3.551 0 40 CHAB COCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 71915261 XYWQAUQCTWRGER-CVEARBPZSA-N 289.419 3.516 0 40 CHAB COc1cccc(-c2cc(-c3ccc(F)cc3)nc(N)n2)c1 71977694 WDTHLPFHGDGBLE-UHFFFAOYSA-N 295.317 3.541 0 40 CHAB CCOC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 77051545 IWYBNMQBSPKPRB-RAXLEYEMSA-N 282.339 3.842 0 40 CHAB CCc1onc(C)c1NC(=O)c1cc(C)c(CC)s1 89391457 WRARJRWIQMXUBX-UHFFFAOYSA-N 278.377 3.730 0 40 CHAB Fc1cccc2c1CC[C@H]2SC1=NCCS1 95406422 HNGUXNWVHRXZJW-LLVKDONJSA-N 253.367 3.649 0 40 CHAB CC(C)(CC(=O)O)CC(=O)c1ccc(F)c(Cl)c1 95634014 AKBVLFAMFMZNPJ-UHFFFAOYSA-N 272.703 3.553 0 40 CHAB Cc1ccc(C(=O)C2=C(C(=O)O)CCCC2)cc1Cl 95634097 QWDUMPOHMNIDPE-UHFFFAOYSA-N 278.735 3.786 0 40 CHAB CC1CCC(N(C)C(=O)CSC(C)(C)C)CC1 98077582 ULCJYLANAQHBNX-UHFFFAOYSA-N 257.443 3.555 0 40 CHAB CCOC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 169796707 MBPFGMLAQDXGEW-UHFFFAOYSA-N 268.181 3.517 0 40 CHAB O=C(O)[C@H](Cc1cccc(Cl)c1)OCc1ccccc1 225060509 NXFZVACJMKLIKZ-HNNXBMFYSA-N 290.746 3.553 0 40 CHAB CC1(C(=O)Nc2ccc(O)cc2Cl)CCCCC1 232820531 KTVOBNWCKNYRSA-UHFFFAOYSA-N 267.756 3.955 0 40 CHAB C[C@]12CC=C3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O 252428444 FABGTKBXHAEVKL-FJIDUMEYSA-N 270.372 3.519 0 40 CHAB CO[C@@H]1CC[C@H]2N(C(=O)/C=C/c3ccccc3)CC[C@@]2(C)C1 257298998 ROGVRMLZFVCKAP-BAUQFAJSSA-N 299.414 3.506 0 40 CHAB O=C(NC1CCC(F)(F)CC1)c1ccccc1Cl 334720086 JKUWJKVKKBEAEA-UHFFFAOYSA-N 273.710 3.648 0 40 CHAB COc1cc2c(cc1NC(=O)c1ccc(F)cc1)CCCC2 408923687 HIVALWRSSUPCKI-UHFFFAOYSA-N 299.345 3.965 0 40 CHAB Cc1n[nH]cc1C1CCN(c2nccc3ccccc23)CC1 528008923 LJSBIURBGVUVJD-UHFFFAOYSA-N 292.386 3.650 0 40 CHAB CC(C)c1cc(Br)c2nccnc2c1 575422094 FOHMPOJZJGGCAZ-UHFFFAOYSA-N 251.127 3.516 0 40 CHAB O=C(Cc1ccc(F)cc1)NCc1ccc(-c2ccco2)o1 575609125 OWIJJEQLNMTNGA-UHFFFAOYSA-N 299.301 3.538 0 40 CHAB Cc1cccc(CC(=O)NCC(C)(C)c2ccsc2)c1 1888921914 QEIMFDVJFDFPDZ-UHFFFAOYSA-N 287.428 3.693 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 184837 ITAAODZSCWETAN-RRQGHBQHSA-N 265.356 3.668 0 40 CHAB CCN(C(=O)COc1ccc(Cl)cc1)c1ccccc1 491501 ZOENYDSPCIFBAJ-UHFFFAOYSA-N 289.762 3.772 0 40 CHAB CCOc1nc(C)ccc1-c1noc(-c2ccccc2)n1 498698 AVRXKKYZYLWMGP-UHFFFAOYSA-N 281.315 3.506 0 40 CHAB CC(=O)Nc1ccc2c(c1)CN(c1cc(C)ccc1C)CO2 543076 KLTXBHKGHULBML-UHFFFAOYSA-N 296.370 3.618 0 40 CHAB O=C(COc1cccc2ccccc12)Nc1ccccc1F 3386319 PEYWZSTUDCFYHO-UHFFFAOYSA-N 295.313 3.996 0 40 CHAB Cc1ccc(-c2cc(O)cc3sc(=O)oc23)cc1C 4124388 XDHMTRGJMDBJTH-UHFFFAOYSA-N 272.325 3.844 0 40 CHAB CC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 5791809 SDADLFVPKVJRKA-UHFFFAOYSA-N 268.813 3.769 0 40 CHAB Oc1ccccc1OCc1ccc2ccccc2n1 6962446 XCBSSVVKDBPKNS-UHFFFAOYSA-N 251.285 3.519 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccccc2F)cc1 7623667 KAVNSGOFVWPKRN-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NC2CCCCCC2)c(C)c1 8041193 JGXMXNKKTLTBDB-OAHLLOKOSA-N 289.419 3.910 0 40 CHAB C[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 8196057 CQOJKTBXRXTPCS-LBPRGKRZSA-N 273.763 3.760 0 40 CHAB O=C(NC1CCCC1)c1cc(Cl)cc(Cl)c1 12747770 MFWZCXFTEQGOBV-UHFFFAOYSA-N 258.148 3.666 0 40 CHAB Cc1ccccc1NC(=O)c1ccc2c(c1)CCC2 12983193 LVUFKGVKQZUHSR-UHFFFAOYSA-N 251.329 3.736 0 40 CHAB Cc1nc(-c2cccc(NC(=O)c3ccoc3)c2)cs1 15514220 JLHHDZKIHDIHRF-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB O=C(NCCCc1ccccc1)c1ccc2c(c1)CCCC2 17339373 IRMMUCJDXRHLAC-UHFFFAOYSA-N 293.410 3.928 0 40 CHAB COc1ccc(NC(=O)c2cc(C)ccc2O)cc1Cl 20561252 CRSAYNOXTVBLRT-UHFFFAOYSA-N 291.734 3.615 0 40 CHAB C[C@]12CCC3=C4CC[C@H](O)C=C4CC[C@H]3[C@@H]1CCC2=O 22060649 QDFACJJKOZIYTJ-AWOKKLPBSA-N 272.388 3.553 0 40 CHAB in-vitro Cc1nc(NC(=O)C[C@@H]2C=CCC2)sc1-c1ccccn1 23501152 COCJBXJAHFMEIE-GFCCVEGCSA-N 299.399 3.808 0 40 CHAB Cc1ccc(C)c(C(=O)Nc2cccc(-c3nnco3)c2)c1 24743861 QBGYBOBTORBUMF-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CCCCNC(=O)c1nc(-c2ccc(Cl)cc2)oc1C 24765830 CXGRKDFCLQZROR-UHFFFAOYSA-N 292.766 3.833 0 40 CHAB O=C(Nc1cccnc1)N1CCC[C@@H]1c1ccc(F)cc1 32900944 YOGHOMOKFNNOKD-OAHLLOKOSA-N 285.322 3.590 0 40 CHAB O=C(NCC1CC1)c1cccc(Oc2ccccc2)c1 32906073 BCDGQUUIUNBXTG-UHFFFAOYSA-N 267.328 3.619 0 40 CHAB COc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1 33405767 JJIHBVJKHMSIJA-ZSOIEALJSA-N 285.730 3.841 0 40 CHAB O=C(Cc1ccc(-n2cccc2)cc1)NCC1CCCCC1 36398013 OMSCFXCRQYWQHR-UHFFFAOYSA-N 296.414 3.716 0 40 CHAB CN(Cc1ccc(F)c(F)c1)c1nc2ccccc2o1 44407099 AEQITSBOJPTTQU-UHFFFAOYSA-N 274.270 3.742 0 40 CHAB Nc1ccc(-c2nc3c(Cl)cccc3s2)c(O)c1 45920776 SXSQSBJVRKYYRN-UHFFFAOYSA-N 276.748 3.905 0 40 CHAB CC(C)c1ccc(OCCNC(=O)c2ccsc2)cc1 48333032 HTGUHQSRMGCGRN-UHFFFAOYSA-N 289.400 3.680 0 40 CHAB CC(C)(C)c1ccc(CN2CCCC[C@@H]2CCO)cc1 49801344 QSJYAJPMGBWTRM-QGZVFWFLSA-N 275.436 3.721 0 40 CHAB Cc1cc(C)cc(C2(C(=O)N[C@@H](C)c3ccncc3)CC2)c1 54984761 ADHWUNNEKVMCRA-HNNXBMFYSA-N 294.398 3.607 0 40 CHAB CCOc1cccc2sc(NCc3ccco3)nc12 61968143 ZSEFSPSKGQCPNM-UHFFFAOYSA-N 274.345 3.900 0 40 CHAB Cc1ccc(C(=O)NCCSC(C)(C)C)c(C)c1 66739092 BTHMWDLRTZOBTN-UHFFFAOYSA-N 265.422 3.565 0 40 CHAB O=C(Nc1nc2c(s1)CCCCC2)OCC(F)(F)F 69949496 UULBDTBPXYCHSL-UHFFFAOYSA-N 294.298 3.523 0 40 CHAB in-vitro Cc1cc(C)c(NC(=O)c2ccc(OC(C)C)cc2)c(N)c1 70462845 GCWUAPBOUYQCGV-UHFFFAOYSA-N 298.386 3.925 0 40 CHAB Clc1ccc(Cl)c(COCC2CCNCC2)c1 72203674 HQDFYZKCVQLCTD-UHFFFAOYSA-N 274.191 3.510 0 40 CHAB CCOC(=O)C[C@H](c1ccccc1Cl)N1CCCCC1 72210313 ZRDZFHHCAQVINN-OAHLLOKOSA-N 295.810 3.820 0 40 CHAB COc1cccc([C@H](O)CSc2ccccc2OC)c1 83635755 JEOKDCTUGUIKRC-CQSZACIVSA-N 290.384 3.530 0 40 CHAB Cc1sc(-c2nccn2C)nc1-c1ccc(F)cc1F 95462126 HIIWCISDMXBMQK-UHFFFAOYSA-N 291.326 3.797 0 40 CHAB C[C@@H](CC(=O)O)CC(=O)c1ccc(OC(C)(C)C)cc1 95633971 ZFSMFWMVMVORHK-LLVKDONJSA-N 278.348 3.548 0 40 CHAB Cc1cccc(OC2CCN([C@H](C)CC(C)C)CC2)n1 95940898 SDLUAMAXPNDGFB-OAHLLOKOSA-N 276.424 3.668 0 40 CHAB CSCCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 96456526 OFKZHWOWFLTLSN-UHFFFAOYSA-N 290.388 3.787 0 40 CHAB C[C@H](CCNC1c2ccccc2-c2ccccc21)[S@](C)=O 166254097 NFCZDHZGDPELJN-LRTDBIEQSA-N 299.439 3.503 0 40 CHAB Cc1ccc(-n2ncc3c2C[C@H](C)CC3=O)cc1Cl 199731197 HAEGBNXILOHXNO-VIFPVBQESA-N 274.751 3.599 0 40 CHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCc2ccccc21 219571724 HEXCDUZFARQJRE-INIZCTEOSA-N 299.345 3.572 0 40 CHAB CC[C@H](NC(=S)Nc1ncccc1C)c1ccccc1 225482348 BCPQPQZMKMPJCE-AWEZNQCLSA-N 285.416 3.828 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Nc1ccc(F)cc1 245224657 AQCQZZGFOSBOFH-UHIISALHSA-N 264.344 3.772 0 40 CHAB Fc1cc(CN2CCC[C@H]2c2cnccn2)ccc1Cl 257259070 KWSUKRYUFPZBPK-HNNXBMFYSA-N 291.757 3.606 0 40 CHAB COC(=O)CCCCC(=O)c1c(C)c(C)cc(C)c1C 575359154 VRHMFBVRZAXIPO-UHFFFAOYSA-N 276.376 3.836 0 40 CHAB CO[C@H](CNc1ncc(Cl)cn1)c1ccccc1Cl 675638313 BOTVADVNEVQPJY-GFCCVEGCSA-N 298.173 3.583 0 40 CHAB CCOc1ccc(C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 99148 ITPSRBYXXLWMFW-KRWDZBQOSA-N 296.322 3.570 0 40 CHAB O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)c1cccs1 282583 XCMNSFWVOPYGHI-JSGCOSHPSA-N 289.400 3.872 0 40 CHAB COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1 311771 NZVBLVFUFGQUND-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(F)cc1 480253 AGMZUIGRLGMLND-UHFFFAOYSA-N 291.281 3.780 0 40 CHAB CCCC(=O)Nc1cccc(-c2cn3ccccc3n2)c1 577305 WWAMUITYJQJKDV-UHFFFAOYSA-N 279.343 3.740 0 40 CHAB O=C(Nc1ccc2c(c1)OCO2)c1cccc2ccccc12 904134 VSYVHABCFSYHNP-UHFFFAOYSA-N 291.306 3.821 0 40 CHAB Cc1cc(Nc2ccccc2C(=O)O)nc2ccccc12 3154151 CHOUNYVWJKDQRI-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O 3869899 DNXHEGUUPJUMQT-NBOOPKSLSA-N 270.372 3.817 0 40 CHAB in-vitro O=C(O)/C=C/c1ccc(-c2nc3ccccc3s2)o1 4205206 UZOULHXGHWZJSM-SOFGYWHQSA-N 271.297 3.654 0 40 CHAB Cc1nc2nc(NC(=O)c3cccs3)ccc2c(C)c1C 4937052 FKSBCUJCJUBQDN-UHFFFAOYSA-N 297.383 3.869 0 40 CHAB C[C@H]1CC[C@H]2C(C)(C)CCC[C@@]23OC(=O)C[C@]13C 5533847 NPYXMBXYLOPZQU-YXAMBPQSSA-N 250.382 3.935 0 40 CHAB Cc1c(C(=O)NCc2ccco2)oc2c(Cl)cccc12 5556974 CNNVTXOVJKMXEC-UHFFFAOYSA-N 289.718 3.918 0 40 CHAB CSc1cccc(NC(=O)COc2ccc(F)cc2)c1 5560247 JYKGZRWPHAJYID-UHFFFAOYSA-N 291.347 3.565 0 40 CHAB CCOC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 6439365 FXCMHJHIVOBOOC-UHFFFAOYSA-N 298.342 3.816 0 40 CHAB Cc1cc(OC(=O)Nc2ccccc2Cl)ccc1O 6922150 JCQCDLQJEBRKEZ-UHFFFAOYSA-N 277.707 3.965 0 40 CHAB Cc1ccc(C(=O)OCc2cc(-c3ccco3)on2)s1 7886515 FXVMTJGKNXEZCV-UHFFFAOYSA-N 289.312 3.662 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 8040649 RCEBOHMGPVIGTK-LLVKDONJSA-N 291.297 3.679 0 40 CHAB CCc1ccc(CC)c(-c2csc(NCCOC)n2)c1 8315225 NHSGXZHHOGGIML-UHFFFAOYSA-N 290.432 3.993 0 40 CHAB Cc1ccc(C)c(CC(=O)Nc2ccc(F)cc2)c1 10701177 REGAYKAWZMQHCK-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 14030971 CYRHEUPMYLQPCF-UHFFFAOYSA-N 285.343 3.736 0 40 CHAB C/C=C\c1ccc(OC(=O)Cc2ccccc2)c(OC)c1 14589773 YYLCMLYMJHKLEJ-CLTKARDFSA-N 282.339 3.876 0 40 CHAB endogenous,in-man CC(C)(C)c1ccc(OCC[C@H]2CCCCN2)cc1 14632336 IYHQRTMRPDGNJQ-OAHLLOKOSA-N 261.409 3.895 0 40 CHAB in-vitro CC[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 19881995 VERWMFMRAAXIBX-ZJUUUORDSA-N 256.187 3.898 0 40 CHAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1 20137357 UVXAZRROLDHDKO-UHFFFAOYSA-N 293.322 3.691 0 40 CHAB O=C(O)CCc1ccc(-c2cccc(C(F)(F)F)c2)o1 20267811 JORNGRYAFPIAFG-UHFFFAOYSA-N 284.233 3.983 0 40 CHAB c1ccc2sc(Nc3ccc4c(c3)OCCO4)nc2c1 20305677 HWRLGCCEVONIFH-UHFFFAOYSA-N 284.340 3.811 0 40 CHAB Nc1ccccc1NCc1cccc(C(F)(F)F)c1 20382618 BGTMJWXFTYJLTH-UHFFFAOYSA-N 266.266 3.900 0 40 CHAB Cc1[nH]c2c(C(=O)N3CCC(C)CC3)cccc2c1C 24538218 JASRRCXNPJRPCG-UHFFFAOYSA-N 270.376 3.657 0 40 CHAB CCOC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1 24990657 HHIGWFZLPNJSLF-UHFFFAOYSA-N 277.707 3.704 0 40 CHAB O=C(NCc1ccccc1)N(Cc1ccccc1)C1CC1 25235209 QYJUWMAURMSMSF-UHFFFAOYSA-N 280.371 3.561 0 40 CHAB Cc1cccnc1NC(=O)CCCSc1ccccc1 27650858 VITIERUULRXWIJ-UHFFFAOYSA-N 286.400 3.901 0 40 CHAB CC[C@H](C)c1ccc(NC(=O)c2cccnc2N(C)C)cc1 31677760 KWTYFGLHUPHDMW-ZDUSSCGKSA-N 297.402 3.913 0 40 CHAB CCCCCCNC(=O)c1cccc2c1O[C@@H](C)[C@H]2C 32903815 QTWLZBIBJKJXEK-OLZOCXBDSA-N 275.392 3.881 0 40 CHAB O=C(NCc1ccc(F)cc1)N1CC[C@H](c2ccccc2)C1 38567340 SRCNFFLFOLBRMG-INIZCTEOSA-N 298.361 3.525 0 40 CHAB CCCN(CCC)C(=O)Nc1cc(OC)c(OC)cc1C 40526483 FQDNMAXCKLAYAT-UHFFFAOYSA-N 294.395 3.666 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)Nc2ccccc2-n2cccn2)C1 48151648 LFXLFKJSADVSEQ-KBPBESRZSA-N 298.390 3.573 0 40 CHAB Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O 51075509 ULCCLFXRXPQHJE-UHFFFAOYSA-N 272.087 3.655 0 40 CHAB in-vitro Cc1c(F)cccc1NC(=O)Nc1ccc2c(c1)OCO2 51354480 IYVAPSDGRKVWCB-UHFFFAOYSA-N 288.278 3.507 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1C 58161125 VKJOBRVFBCQZHV-MRXNPFEDSA-N 284.384 3.754 0 40 CHAB CCOc1c(Cl)cccc1NCc1cc(C)on1 60087726 WAQUBDHXAYRQDI-UHFFFAOYSA-N 266.728 3.647 0 40 CHAB Cc1c(F)cccc1-c1ccc([C@H]2C[C@@H]2C(=O)O)o1 70452811 ZZXVOSIYQXTFMA-QWRGUYRKSA-N 260.264 3.582 0 40 CHAB CN1CCC[C@H]1c1cccnc1NC1CCCCC1 72214004 ZWMHTWULULHERO-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB CC(=O)N1CCC(c2cccc(Oc3ccccc3)n2)CC1 72361770 AXMLBVCXJBMRGW-UHFFFAOYSA-N 296.370 3.600 0 40 CHAB Cc1cnc(Sc2ccc(Cl)cc2)c(N)c1 85426586 XZEKUIKUKFXLCB-UHFFFAOYSA-N 250.754 3.777 0 40 CHAB Fc1ccc2c(c1)[C@@H](SC1=NCCS1)CC2 89807184 FKTXOVMVQYPVOC-NSHDSACASA-N 253.367 3.649 0 40 CHAB CC(C)Oc1ccc(I)c(Cl)c1 90413201 ZZTCIXFUVSHWQF-UHFFFAOYSA-N 296.535 3.732 0 40 CHAB Cc1ccc([C@H](C)NCc2nccn2CC(C)C)s1 95423173 NPNAAOXDDYSGJB-ZDUSSCGKSA-N 277.437 3.760 0 40 CHAB CC(C)n1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)n1 95958970 IIKKWYKEXOQXDR-UHFFFAOYSA-N 299.374 3.505 0 40 CHAB O=C(Nc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 100462722 QEYVKPIUSUXVTC-GMTAPVOTSA-N 294.192 3.824 0 40 CHAB Cc1ccc(C(=O)NCc2ccccc2C)c(Cl)c1 192305827 REACXJXGKUWVPQ-UHFFFAOYSA-N 273.763 3.887 0 40 CHAB CCCCN[C@H](CC)c1ccc(OC)cc1OC 222635592 RSPWMIVYBGUBER-CQSZACIVSA-N 251.370 3.545 0 40 CHAB CSc1ccc(C(=O)C(F)(F)Br)cc1 306678231 GYOGCLLLFXIXMM-UHFFFAOYSA-N 281.121 3.579 0 40 CHAB O=C(c1cccc(F)c1C(F)(F)F)C(F)(F)Cl 575242688 CIYOBUMWESXVSS-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB O=C(Nc1cccs1)Nc1cccc(F)c1F 1888976953 WDEUIGCBVUYEBN-UHFFFAOYSA-N 254.261 3.670 0 40 CHAB COc1ccc(C2=Cc3ccc(OC(C)=O)cc3OC2)cc1 1657109 OHNFJXYAMHMPFN-UHFFFAOYSA-N 296.322 3.554 0 40 CHAB Cc1ccc2c3c(nsc13)-c1ccccc1C2=O 1671627 OHUNLYWPXFRLJI-UHFFFAOYSA-N 251.310 3.816 0 40 CHAB O=C(O)[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 1712853 CUMMKZITYCLISM-AWEZNQCLSA-N 260.720 3.751 0 40 CHAB COc1ccc(N2C(=O)CS[C@H]2c2cccs2)cc1 2483419 QBICGKPVLXXOFT-AWEZNQCLSA-N 291.397 3.535 0 40 CHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccco1 2619195 GLTHWULCDHWCJS-UHFFFAOYSA-N 291.350 3.806 0 40 CHAB CC[C@H]1CCCCN1C(=O)[C@@H](CC)Oc1ccccc1 2739937 WNYYYAPMTLOVCB-GOEBONIOSA-N 275.392 3.635 0 40 CHAB CC[C@@H]1CCCCN1CC(=O)c1ccccc1Cl 3306532 AZWYKQVSYKVSET-GFCCVEGCSA-N 265.784 3.787 0 40 CHAB CC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1 3845529 YZSDGAPMWZXVGC-UHFFFAOYSA-N 250.301 3.793 0 40 CHAB CCC[C@H]1O[C@@H](c2ccc(OC)cc2)OC[C@H]1CC 4410470 VBKDECKJNITBRB-WQVCFCJDSA-N 264.365 3.936 0 40 CHAB CCN(CC)Cn1nc(-c2ccccc2Cl)oc1=S 4578131 KKMDNYKUHWXXID-UHFFFAOYSA-N 297.811 3.825 0 40 CHAB O=C1N[C@@H](c2cccc3ccccc23)Nc2ccccc21 5086480 XKEIBCWTOUEGSH-KRWDZBQOSA-N 274.323 3.694 0 40 CHAB CC(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 5384412 BLVXSVPMZBLJMX-GQCTYLIASA-N 258.148 3.531 0 40 CHAB CCCCNCc1cc(Cl)cc(Cl)c1OC 7261650 YYEFCWZLUIIWLL-UHFFFAOYSA-N 262.180 3.892 0 40 CHAB Cc1ccc(NC(=O)c2cc(F)cc(F)c2)c(C)c1 7610092 GRECTRBSZMUKMW-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1ccc(C)c(NCC(=O)NC2CCCCCCC2)c1 7776991 PXSRIWZVJBASTE-UHFFFAOYSA-N 288.435 3.944 0 40 CHAB CC(C)CNC(=O)c1ccccc1SC(C)C 8494945 NSSUAJHPKBAPRE-UHFFFAOYSA-N 251.395 3.573 0 40 CHAB Cc1cc(Nc2ccccc2C)nc(-n2nc(C)cc2C)n1 8598694 SHGAPVCGEMOINK-UHFFFAOYSA-N 293.374 3.640 0 40 CHAB COc1ccc(NC(=O)CCc2ccc(C)cc2)cc1OC 10338323 YWBAWTASRHUBPW-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB Cc1cccc(O[C@H](C(=O)O)c2ccccc2)c1C 11802688 NCJUMOCHHRWLKH-HNNXBMFYSA-N 256.301 3.508 0 40 CHAB C[C@H](Sc1nc2ccccc2n1C)C(=O)c1ccccc1 12556727 MNAOCFLJVMWGQP-LBPRGKRZSA-N 296.395 3.937 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccccc1OCC 13821547 KOKHJBACCIXKOY-NSHDSACASA-N 266.410 3.560 0 40 CHAB Cc1nc[nH]c1CN(Cc1ccc(F)cc1)Cc1ccco1 13992756 PLLVAAWMTQLLLU-UHFFFAOYSA-N 299.349 3.653 0 40 CHAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(C)n2)cc1 14171389 RHPXODZIZRKOPR-LLVKDONJSA-N 288.416 3.576 0 40 CHAB FC(F)C(F)(F)COc1cccc(Br)c1 20518690 VRRJRTYDDGIWOO-UHFFFAOYSA-N 287.050 3.728 0 40 CHAB Cc1ccccc1NC(=O)c1ccc([C@@H]2CCCN2)s1 23581900 RYPCQZSUXBIJFZ-ZDUSSCGKSA-N 286.400 3.733 0 40 CHAB CC(=O)c1cc(CCC(=O)Nc2ccc(C)cc2)oc1C 25418407 NUWSLXYGQSCCFZ-UHFFFAOYSA-N 285.343 3.670 0 40 CHAB COc1ccc2cc(C(=O)N(C)[C@@H](C)C(C)(C)C)[nH]c2c1 30420885 MSMIIYQCAWQSHP-NSHDSACASA-N 288.391 3.683 0 40 CHAB O=C(Nc1ccc2c(c1)CCO2)c1cc(Cl)ccc1F 32787488 XCEXYIPVSRSNQW-UHFFFAOYSA-N 291.709 3.666 0 40 CHAB O=C(CC[C@@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 32815661 QHFMREPBYMPBSV-JTQLQIEISA-N 288.174 3.891 0 40 CHAB CC(C)c1ccc([C@@H](C)NC(=O)NCc2ccco2)cc1 32841301 BJOBAMSMSUGHPJ-CYBMUJFWSA-N 286.375 3.963 0 40 CHAB CCCCNC(=O)N[C@H](C)c1ccc(Br)cc1 33040325 YIVJOEUEIOVQKU-SNVBAGLBSA-N 299.212 3.609 0 40 CHAB Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)s1 36393323 MPRRJUVOVQRCCZ-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB CCCC[C@@H](CC)C(=O)c1ccc2c(c1)OCCO2 37354108 DFMMSDMYXSPELH-GFCCVEGCSA-N 262.349 3.857 0 40 CHAB Cc1cccc(-c2nc(CNc3ccc(F)cc3)n[nH]2)c1 40174539 MMFWQJMBEMIYRC-UHFFFAOYSA-N 282.322 3.531 0 40 CHAB CC(C)(C)c1ccc(COCC[C@@H]2CCCNC2)cc1 42772016 QWQPFXJJGFEFKC-HNNXBMFYSA-N 275.436 3.890 0 40 CHAB CC[C@H](C)c1cc(Cl)ccc1OC1CCNCC1 42775404 MYDTWMRCPBYNCF-NSHDSACASA-N 267.800 3.984 0 40 CHAB CC(C)CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 44897248 BRKLNPHGSMCHSS-UHFFFAOYSA-N 297.402 3.727 0 40 CHAB CCOC(=O)c1cnc2c(C(C)C)cccc2c1NC 62719788 FAMYMHJRQZAJDV-UHFFFAOYSA-N 272.348 3.577 0 40 CHAB COc1ccc2oc(/C=C/C(=O)NC3CCCC3)cc2c1 67339587 APYPXUOQRNHRKO-VQHVLOKHSA-N 285.343 3.513 0 40 CHAB CCOc1ccc(C(=O)CSc2nc(C)c(C)o2)cc1 71805668 BAEOBSSPLAMFSZ-UHFFFAOYSA-N 291.372 3.665 0 40 CHAB COc1ccc(-c2cc(-c3cccc(F)c3)nc(N)n2)cc1 71977372 LOUWDHJNSIKYNO-UHFFFAOYSA-N 295.317 3.541 0 40 CHAB Cc1cc(S)ncc1[C@H]1CCCCN1CC(C)C 72218343 QOXLYJZNVFTJGE-CQSZACIVSA-N 264.438 3.862 0 40 CHAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccs1 72221670 PUMPFSIEAOGBDC-UHFFFAOYSA-N 283.393 3.626 0 40 CHAB Cc1nsc(N[C@H](C)c2cc3ccccc3o2)n1 78903608 LOVMWYHCICZWNC-MRVPVSSYSA-N 259.334 3.766 0 40 CHAB Fc1cc(Br)cc(OC(F)(F)Cl)c1F 91675816 VEVAKUUIHSDRLF-UHFFFAOYSA-N 293.441 3.895 0 40 CHAB Cc1cc(F)cc(NC(=O)c2cc(F)ccc2F)c1 95067880 MZKDYDWUESBZJG-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB CCCn1c(-c2cn(C)nc2C)nc2cc(Cl)ccc21 95439137 DXCGFOIWXKXWLW-UHFFFAOYSA-N 288.782 3.809 0 40 CHAB Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H](C)C1CCCCC1 96440283 ZQGFNOXTOIPSAN-GHMZBOCLSA-N 293.411 3.620 0 40 CHAB CCOC(=O)c1cccc(OCc2ccccc2F)c1 96538911 HXMBKPJVNPZUBR-UHFFFAOYSA-N 274.291 3.581 0 40 CHAB C[C@H](CSC(C)(C)C)Nc1ccc([S@](C)=O)cc1 97084584 NWDLSBBGMKCJSN-ADLMAVQZSA-N 285.478 3.756 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1 102181163 IKUBFGZYUXDDRM-AESZEHBQSA-N 271.404 3.858 0 40 CHAB CO[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccc(Cl)s1 225703777 LDSHXPSYFIGDML-WDEREUQCSA-N 299.823 3.562 0 40 CHAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)C(C)(C)C 226253412 LUSFDUUEFBPUAH-GFCCVEGCSA-N 289.423 3.632 0 40 CHAB COc1ccc(Cl)c(C(=O)C(C)(C)CCl)c1 381072702 OVACHAWBQDSMCE-UHFFFAOYSA-N 261.148 3.796 0 40 CHAB O=C([C@@H]1Cc2ccccc21)N1[C@H]2CC[C@H]1c1ccccc12 390833711 LVBFRXANOIUBRZ-SQNIBIBYSA-N 275.351 3.745 0 40 CHAB O=C(Nc1cccnc1Cl)c1ccc(Cl)cc1 338615 XETCYTKILICTLG-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB biogenic Cc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 362055 LLGBAILNPDGGBO-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB COC(=O)Cc1ccc2nc(-c3ccccc3)sc2c1 405649 NIDXQXZNUDVRFN-UHFFFAOYSA-N 283.352 3.679 0 40 CHAB COc1ccc(NC(=O)c2cc(C)cc(C)c2)c(OC)c1 505905 RJQWSOLPBVMAMC-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB O=C(CCC1CCCC1)Nc1cc(Cl)ccn1 1002667 JJMSNKNLFVUWLG-UHFFFAOYSA-N 252.745 3.644 0 40 CHAB CC(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 1235426 ZNSWKFHPHLNEHT-UHFFFAOYSA-N 296.374 3.507 0 40 CHAB COc1ccc2c(c1OC)[C@H]1CCCC[C@H]1SCC2=O 1653750 HIGXJWNBEAVHPT-SMDDNHRTSA-N 292.400 3.660 0 40 CHAB Cc1ccc([C@@H](CC(=O)O)[C@@H]2CCOC(C)(C)C2)cc1 1856571 SJEKEWDPPWCSOR-HUUCEWRRSA-N 276.376 3.759 0 40 CHAB biogenic,in-vitro Cc1cccc(C)c1C(=O)c1ccccc1CN1CCC1 2515618 HFQUKQVHQVOEPY-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Cl)c1 2659006 MRUDLQWEEHNPKS-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc1C 2767009 ZPWHGFMTJWNXKT-QWHCGFSZSA-N 272.373 3.502 0 40 CHAB CC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 3907680 JUHNEVFLWHBYPW-SECBINFHSA-N 278.739 3.523 0 40 CHAB C[C@H]1CCCN(CCOCCSc2ccccc2)C1 4568466 GTDGCZAGEYQBAY-HNNXBMFYSA-N 279.449 3.527 0 40 CHAB CC[C@@H](C(=O)Nc1cccc([C@@H](C)O)c1)c1ccccc1 4666600 JANQIHLDHGTDLA-CXAGYDPISA-N 283.371 3.872 0 40 CHAB O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCCCC1 5050488 LGVFMFXRBCUZMI-UHFFFAOYSA-N 299.395 3.934 0 40 CHAB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)c1ccccc1N 5495393 WSROWZALSNALOL-UXEPBGEESA-N 273.376 3.640 0 40 CHAB Cc1ccc(C(=O)O[C@H](CCN(C)C)c2ccccc2)cc1 5573055 KYIJYDFEPPKQOH-GOSISDBHSA-N 297.398 3.845 0 40 CHAB CCCSc1nnc(NC(=O)c2ccc(C)cc2)s1 7321744 OQEYGQXSQQNZIK-UHFFFAOYSA-N 293.417 3.601 0 40 CHAB COc1ccc([C@@H](NC(=O)/C=C/c2ccco2)C2CC2)cc1 8943246 ZOVVHOMKXCFXLW-ZGKFYVQTSA-N 297.354 3.569 0 40 CHAB COc1cccc2cc(C(=O)NCc3cccc(C)c3)oc12 10448289 ILKSQNBOXIWSDH-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB CC(C)(C(=O)NC1CCCCCC1)c1ccccc1 12820560 LGJBWAUVNAARKC-UHFFFAOYSA-N 259.393 3.803 0 40 CHAB CN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C1CCCCCC1 12975388 XYDFVILOMSXYIF-YIONKMFJSA-N 291.435 3.563 0 40 CHAB CCN(CC)CCCNCc1ccc(Cl)c(Cl)c1 13734470 AJCAMRFVASYHTQ-UHFFFAOYSA-N 289.250 3.815 0 40 CHAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccsc1 14140095 SZUYALOLJYYIEJ-UHFFFAOYSA-N 293.417 3.900 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1ccnc(Cl)c1 19813682 SAMICTNNDGNQRW-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB CC(C)[C@@H](C)NCc1ccccc1Br 20305406 IXANXMGBNNYZAF-SNVBAGLBSA-N 256.187 3.583 0 40 CHAB Nc1nc(=S)cc(-c2cccc3ccccc23)[nH]1 20534024 GQAVSGUVBXHDMD-UHFFFAOYSA-N 253.330 3.542 0 40 CHAB Cn1cccc1[C@H]1CCCN1Cc1cccc2cccnc12 32901352 BQOIKWIZARSYFR-GOSISDBHSA-N 291.398 3.910 0 40 CHAB CC[C@H](NC(=S)Nc1ccc(C)cn1)c1ccccc1 33495520 LHYWOVQHPVBSRM-AWEZNQCLSA-N 285.416 3.828 0 40 CHAB CCc1cccc(Cc2cnc(NC(=O)C3CC3)s2)c1 44743890 PGNYWRVGJGQZFH-UHFFFAOYSA-N 286.400 3.645 0 40 CHAB O=C(c1ccc(Cl)nc1)c1ccccc1Br 45038718 UYNKCDKVECCFQS-UHFFFAOYSA-N 296.551 3.729 0 40 CHAB CCCC(C)(C)NC(=O)[C@H]1CCCc2ccccc21 50497805 RVRDXAGCGOVCIH-HNNXBMFYSA-N 259.393 3.801 0 40 CHAB C[C@@H](Sc1nncs1)c1ccc(OC(F)F)cc1 66409010 BLXPTBCMBAHCPR-SSDOTTSWSA-N 288.344 3.993 0 40 CHAB O=C(O)[C@H]1C[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 70453299 NMCRUXBLROFGNU-MNOVXSKESA-N 262.692 3.788 0 40 CHAB Cc1ccc2ccccc2c1NC(=O)N1CCSCC1 95416979 PGSVGTYPXHNBCZ-UHFFFAOYSA-N 286.400 3.729 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)OC[C@H]1C 95454864 CIEGLPHMFTWIRV-KGLIPLIRSA-N 290.407 3.760 0 40 CHAB O=C(CC1CCCCC1)NCc1cccc(-c2ncc[nH]2)c1 95464768 OFTSAZGMSDKDBW-UHFFFAOYSA-N 297.402 3.663 0 40 CHAB CC(C)(C)Oc1ccc(C(=O)c2ccc3c(c2)OCO3)cc1 95916091 MUJSGDXDIZPBNC-UHFFFAOYSA-N 298.338 3.824 0 40 CHAB COc1cccc(C(=O)c2ccc(C)c(Cl)c2)c1 95916399 LFHYFDPTFNTUPV-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB CC(C)Cc1nnc([C@@H](C)SC[C@@H]2CCCCO2)o1 95965632 GKSBLJLIFXCJPX-NEPJUHHUSA-N 284.425 3.631 0 40 CHAB Fc1cc(Cl)c2nc(Br)sc2c1 96330655 AAXRLDRHGUUDDL-UHFFFAOYSA-N 266.522 3.851 0 40 CHAB COc1ccc([C@@H](C)CCNC(=O)c2ccoc2C)cc1 96423362 JNPIJRLYZLCWPP-LBPRGKRZSA-N 287.359 3.520 0 40 CHAB CCCNc1ccc(Cl)cc1NC(=O)c1ncoc1C 96497106 QCYVUQVIRYQWAP-UHFFFAOYSA-N 293.754 3.711 0 40 CHAB C[C@H](SCCCn1ccnc1)c1cccs1 97375571 NOUBCEAKFGFTIS-NSHDSACASA-N 252.408 3.829 0 40 CHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(Cl)c1 225614322 MBMDRKCJDOTJET-HNNXBMFYSA-N 299.798 3.882 0 40 CHAB CCc1cnccc1NC(=O)c1cccc2c1OCC2(C)C 279141101 YEXSBNNTUJXDDE-UHFFFAOYSA-N 296.370 3.566 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)c1cc(C2CC2)ncn1 1888857268 ZDMTUZYYOKGPFA-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB O=c1nc(-c2ccc(Cl)cc2)oc2ccccc12 208261 DKIUWRPUGJJXPP-UHFFFAOYSA-N 257.676 3.508 0 40 CHAB CC(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 247600 QCUJUQUOGYRFHO-UHFFFAOYSA-N 266.300 3.762 0 40 CHAB CC(C)Sc1nnc(Nc2ccccc2)s1 2651134 AVTAZXQGCNSUPN-UHFFFAOYSA-N 251.380 3.782 0 40 CHAB CC[C@H]([C@@H]1CCc2cc(O)ccc2C1)C(C)(C)C(=O)O 3850158 FZDIDIIEUWBRMV-UKRRQHHQSA-N 276.376 3.634 0 40 CHAB biogenic CCc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 4036443 SUMJKAKBTAJZSJ-UHFFFAOYSA-N 289.400 3.667 0 40 CHAB COc1ccc(OC)c2nc3c(cc12)CCCCC3 4073013 MNOPJFWUWALKCM-UHFFFAOYSA-N 257.333 3.521 0 40 CHAB Cc1ccc2c(c1)C(=O)C[C@@H](C)N2C(=O)c1ccc(F)cc1 4603410 JNPHULMUQLPWCC-GFCCVEGCSA-N 297.329 3.756 0 40 CHAB CC(C)C[C@H](N)c1nnc(SCc2ccccc2F)o1 5119604 VKPMRVRPNYHUGP-LBPRGKRZSA-N 295.383 3.547 0 40 CHAB CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@H](C)[C@H]3CC[C@@]12C 5275486 CPKPUIIUQANSBI-VRMQGGBLSA-N 262.393 3.633 0 40 CHAB CCCCC[C@@]1(C)NC(=S)N(c2ccc(Cl)cc2)N1 6783050 ISRBXXCUXQFMDW-AWEZNQCLSA-N 297.855 3.836 0 40 CHAB Cc1cc(C(=O)CCC(=O)N2CCC(C)CC2)c(C)s1 7652004 VJZIUKWRQCFJGZ-UHFFFAOYSA-N 293.432 3.586 0 40 CHAB Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1C 8168665 RLLVZRWFWUJJSV-OAHLLOKOSA-N 267.372 3.837 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 8552389 ZXSWTMLNIIZPET-YCOHNSLCSA-N 288.431 3.879 0 40 CHAB biogenic O=Cc1cc(Cl)c(OCc2ccccn2)c(Cl)c1 8702295 MAIRKVRFJTYBJP-UHFFFAOYSA-N 282.126 3.780 0 40 CHAB C[C@H](NC(=O)c1cccs1)c1cc2ccccc2o1 8849030 RYLDNNNZDFCRRS-JTQLQIEISA-N 271.341 3.985 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)s1 9499880 GMSUQBGCYPJONA-SECBINFHSA-N 281.327 3.826 0 40 CHAB COc1cc(OC)c(NC(=O)CC(C)(C)C)cc1Cl 11601529 LDHTYTUUNAJZDT-UHFFFAOYSA-N 285.771 3.732 0 40 CHAB CC(C)c1nnc2sc(/C=C/c3ccc(F)cc3)nn12 15107810 ZANVUFUXAHOAID-VMPITWQZSA-N 288.351 3.619 0 40 CHAB Cc1ccsc1CN1CCCCC[C@@H]1c1ccn(C)n1 19238643 QRVHYVNIZUYJHE-OAHLLOKOSA-N 289.448 3.907 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1c(F)cccc1F 20455725 UKTFLBRMBBOUGJ-NSHDSACASA-N 291.297 3.679 0 40 CHAB C[C@H](NC(=O)c1cc(F)ccc1F)c1ccc(F)cc1 22540227 UBPDTKCGJHZUFI-VIFPVBQESA-N 279.261 3.595 0 40 CHAB O=C(CCc1ccccc1)NCC1(c2cccs2)CC1 22680114 ZTTAGOUNJDSQCH-UHFFFAOYSA-N 285.412 3.529 0 40 CHAB COc1ccc(C(=O)Nc2cc(C)nn2C2CCCC2)cc1 28243544 ZJTMWPLBAJDPQW-UHFFFAOYSA-N 299.374 3.568 0 40 CHAB O=C(N[C@H](c1ccccc1)C1CC1)C1CCCCC1 31037822 IBQIYWCQBUINAV-MRXNPFEDSA-N 257.377 3.834 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)C(C)(C)C 32904057 BCBUOVONIFDRRJ-LLVKDONJSA-N 251.395 3.630 0 40 CHAB CCCn1cnc2c(-c3ccccc3)csc2c1=O 35512123 IREOVDHMTRHZSH-UHFFFAOYSA-N 270.357 3.535 0 40 CHAB c1ccc(CN2CCC[C@@H](NC3CCCCCC3)C2)cc1 36904545 DBGGASDASAGILN-LJQANCHMSA-N 286.463 3.963 0 40 CHAB Nc1cc(-c2cccc(Cl)c2)nn1Cc1ccccc1 37291305 FOUNSTPNVIQOLP-UHFFFAOYSA-N 283.762 3.834 0 40 CHAB in-vitro Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c(C)c1 38566909 JFTQWXSPMBIKIE-QGZVFWFLSA-N 279.383 3.933 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)cc1C 38753882 YBXVGAIENDFEFD-CQSZACIVSA-N 285.362 3.862 0 40 CHAB CC(C)CC[C@@H](C)NC(=O)c1ccc(O)c(Cl)c1 39975571 CQOVWFSGECWKMH-SNVBAGLBSA-N 269.772 3.600 0 40 CHAB C[C@@](C(=O)O)(c1ccc(Cl)cc1)N1CCCCCC1 41661007 FCEDOAMCQVXFES-HNNXBMFYSA-N 281.783 3.516 0 40 CHAB CCC(C)(C)c1ccc(O[C@H]2CCNC2)c(Cl)c1 42775312 VBMHGRYQMGIPEC-LBPRGKRZSA-N 267.800 3.768 0 40 CHAB CN(c1ccccc1)c1ccc(N)cc1Br 43596425 BKYRXEFXYTYKBA-UHFFFAOYSA-N 277.165 3.799 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)C1CCCC1 44883189 FPELJWPDBYVTDN-QGZVFWFLSA-N 289.419 3.862 0 40 CHAB O=C(Nc1nccs1)c1ccc(Cl)c2cccnc12 58163454 LVOHICNLHPUZMZ-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB CCCCN1CCC[C@H]1c1cccnc1OC(C)C 72211965 YLMJFHWUEORBEY-HNNXBMFYSA-N 262.397 3.806 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)N(CC(C)(C)O)C(C)C 84093178 QHCIVIKLVAKSBK-UHFFFAOYSA-N 298.814 3.662 0 40 CHAB COC(=O)/C=C\c1ccc(C(F)(F)F)cc1Cl 95845645 DEBTZZCLGLZGAA-HYXAFXHYSA-N 264.630 3.545 0 40 CHAB CNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 103293752 PDOVDHMOYJCYIH-SDNWHVSQSA-N 271.747 3.627 0 40 CHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccon2)o1 121040076 TZYBRCHYEXBKDC-CMPLNLGQSA-N 289.335 3.581 0 40 CHAB CC[C@]1(C)Oc2ccc(NCc3cccnc3)cc2O1 191095007 ZETWSZMMXZWFJL-MRXNPFEDSA-N 270.332 3.591 0 40 CHAB CC(C)=CC(=O)N1CCS[C@@H](c2cccs2)CC1 219508446 BUQNMKMBNKMCGB-CYBMUJFWSA-N 281.446 3.721 0 40 CHAB CC[C@H](NC(=O)C1CCCC1)c1ccc(OC)c(C)c1 225403166 YFBYUAMHZQYGNX-HNNXBMFYSA-N 275.392 3.761 0 40 CHAB CCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C)c1 225648124 BQQCIDLZAKUMGO-UHFFFAOYSA-N 279.380 3.536 0 40 CHAB CC[C@H](Cl)C(=O)c1cccc(C(F)(F)F)c1 382737959 YBHBPSPNIZFYIH-VIFPVBQESA-N 250.647 3.906 0 40 CHAB CC[C@H](C)n1ncc(Br)c1COC(C)C 408716683 PRAJIGLPMDBEPJ-VIFPVBQESA-N 275.190 3.542 0 40 CHAB FC(F)(F)Sc1c[nH]c2ncc(Br)cc12 1848351066 LQFCLNVBNISUDP-UHFFFAOYSA-N 297.099 3.937 0 40 CHAB CCSc1ncnc2sc3c(c12)CC[C@@H](C)C3 84893 DBERKFFXHHQEIQ-MRVPVSSYSA-N 264.419 3.928 0 40 CHAB Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1Cl 236300 UIABSHHBLMGEQI-UHFFFAOYSA-N 274.703 3.578 0 40 CHAB COc1cccc(OC)c1C(=O)OC1C[C@H](C)C[C@@H](C)C1 383724 XXFPTSPXHSBOAV-VXGBXAGGSA-N 292.375 3.685 0 40 CHAB CCOc1cc(CO)ccc1OCc1ccc(Cl)cc1 498948 LJXWVFCQIWQGIK-UHFFFAOYSA-N 292.762 3.810 0 40 CHAB CSc1ncc(C)c(Nc2ccc(Cl)cc2)n1 1679406 PGHRMABWKDJYFA-UHFFFAOYSA-N 265.769 3.904 0 40 CHAB NC(=O)C1(Nc2ccc(-c3ccccc3)cc2)CCCC1 1686530 IARAYLAYBMKSER-UHFFFAOYSA-N 280.371 3.564 0 40 CHAB O=C(NC1CCCCCCC1)c1cccnc1Cl 2736894 NEIYEHPQTCFHTN-UHFFFAOYSA-N 266.772 3.578 0 40 CHAB COC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 3897343 JFRMQGWZTDYHRK-UHFFFAOYSA-N 286.371 3.647 0 40 CHAB CCO[C@@](F)(C(=O)Nc1cccc(Cl)c1)C(F)(F)F 4141911 CXDXJIGNHVLZTD-JTQLQIEISA-N 299.651 3.543 0 40 CHAB C[C@@H](NC(=O)Cn1ccc2ccccc21)c1ccccc1 4599580 YHVMQEZOVHBPSC-CQSZACIVSA-N 278.355 3.519 0 40 CHAB CC1(C)[C@@H]2C(Cl)(Cl)[C@]2(C)c2ccccc2N1C=O 4811648 ZIIPOTCZHKXENU-WCQYABFASA-N 284.186 3.503 0 40 CHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(F)c1 5528175 FHLYFTUCMKYAMS-LLVKDONJSA-N 287.309 3.946 0 40 CHAB O=C(OCCOc1ccccc1F)c1cc2ccccc2[nH]1 5530567 RRESKVNYDAQCGN-UHFFFAOYSA-N 299.301 3.543 0 40 CHAB C(=C/c1csnn1)\c1ccc(/C=C/c2csnn2)cc1 5809317 VSOOOCVTXWGMNV-KQQUZDAGSA-N 298.396 3.730 0 40 CHAB Cc1ccc(F)cc1NC(=S)Nc1ccccc1 6276121 ISLNRGQPVNWYIK-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB CCCNCc1cccc(OCc2ccccc2)c1 6430963 URODAILTZRPXLF-UHFFFAOYSA-N 255.361 3.765 0 40 CHAB CCCC(=O)Nc1nc(-c2cccc(F)c2)cs1 10032704 ZCDDCYQUIDNUAY-UHFFFAOYSA-N 264.325 3.688 0 40 CHAB CCc1ccc(CCC(=O)Nc2ccccc2)cc1 10369206 IJRQGUOIUBTENX-UHFFFAOYSA-N 253.345 3.820 0 40 CHAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(F)cc1F 11204618 OHRQUFDFWOOPLA-MRXNPFEDSA-N 287.309 3.846 0 40 CHAB CN1C(=O)c2ccccc2N[C@H]1c1cc2ccccc2o1 12633739 XEOLLKBFVJHMGV-MRXNPFEDSA-N 278.311 3.629 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 14199344 FGDYPJXPFDVLJO-WCQYABFASA-N 287.359 3.713 0 40 CHAB Cc1ccc([C@H](NC(=O)C(C)C)c2ccccc2)cc1 14577217 XILCEJGSGWZACM-QGZVFWFLSA-N 267.372 3.857 0 40 CHAB Cc1cc(C)c(CN[C@@H](C)c2nnc3ccccn23)cc1C 15594276 SXXQIJWIJITJTQ-HNNXBMFYSA-N 294.402 3.505 0 40 CHAB COc1ccc2[nH]c(COc3c(C)cccc3C)nc2c1 16903869 FDNSNHJLRQIING-UHFFFAOYSA-N 282.343 3.767 0 40 CHAB Cc1ccccc1CNC(=O)c1cccc(OC(F)F)c1 18832101 GJHZPFVFQRXJHM-UHFFFAOYSA-N 291.297 3.526 0 40 CHAB CCOc1ccc(NC(=O)c2cc(N)ccc2Cl)cc1 19263234 XMWZDSUOUMUZPN-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N 19391248 GRJIABFMPQBAKK-UHFFFAOYSA-N 294.276 3.848 0 40 CHAB Cc1ccc(C)c(CC(=O)N[C@H](C)CCc2ccccc2)c1 20460055 MIQZLJCNCOIDDI-QGZVFWFLSA-N 295.426 3.983 0 40 CHAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 21933432 IWHWEJUZSJFRPC-STQMWFEESA-N 269.344 3.966 0 40 CHAB CC(C)[C@H](NC(=O)C1CCOCC1)c1ccc(Cl)cc1 22284772 MFWYUQFOOWCVKZ-HNNXBMFYSA-N 295.810 3.580 0 40 CHAB Cc1cccc(OCc2ccc(C(=O)NC3CCCC3)o2)c1 27975624 SSOUBPWMOGWULR-UHFFFAOYSA-N 299.370 3.839 0 40 CHAB CCCNC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 30852389 PLCXYQRSJMJXFX-GFCCVEGCSA-N 271.813 3.737 0 40 CHAB O=C(Cc1ccsc1)NC[C@@H]1CCCc2ccccc21 30895499 DEZQGVUONLDAOT-HNNXBMFYSA-N 285.412 3.527 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(CCc2ccccc2)CC1 40024208 LQJGFLQVVOLPFQ-PBHICJAKSA-N 271.404 3.514 0 40 CHAB Cc1ccc([C@H](C)N(C)C(=O)/C=C/c2ccncc2)cc1 40080540 MATOJYSFVNKFPB-PPYMECGQSA-N 280.371 3.623 0 40 CHAB CCc1nc2c(c(C)c(C)n2Cc2ccccn2)c(N)c1C 40268006 MXCWJDMEBRDWRM-UHFFFAOYSA-N 294.402 3.549 0 40 CHAB C[C@@H]1CCCN(Cc2ccccc2Br)C1 42205912 WPQXIRYYMZJHNN-LLVKDONJSA-N 268.198 3.681 0 40 CHAB Clc1ccccc1CCNc1ncnc2sccc12 49390268 ZQJWZLWIPPPURF-UHFFFAOYSA-N 289.791 3.999 0 40 CHAB Cc1ccc(OCCNc2ncnc3cc(F)ccc23)cc1 49587055 STTFRYIBZNZUQJ-UHFFFAOYSA-N 297.333 3.568 0 40 CHAB Cc1nn(C(C)C)c(C)c1Nc1nccc(C(F)(F)F)n1 52473321 PSTRZYPONAVBBG-UHFFFAOYSA-N 299.300 3.633 0 40 CHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccoc1 54298768 MMPGVEXNVCPRCJ-NSHDSACASA-N 280.327 3.520 0 40 CHAB [C-]#[N+]c1ccc(Br)cc1Br 55850298 CIDUMWJHFVWWQN-UHFFFAOYSA-N 260.916 3.762 0 40 CHAB COC(=O)c1ccc(OCc2ccc(F)cc2)c(Cl)c1 57651165 NSBYOKTYGSVPPC-UHFFFAOYSA-N 294.709 3.845 0 40 CHAB O=C(c1cccs1)N(Cc1cccnc1)Cc1ccco1 58604362 BJLQUVAYFMBVSA-UHFFFAOYSA-N 298.367 3.579 0 40 CHAB CCN(Cc1ccccc1)C(=O)CCc1ccc(F)cc1 60914758 IXNVUKXGMFTYGM-UHFFFAOYSA-N 285.362 3.807 0 40 CHAB Cc1cc(C[S@](=O)Cc2ccc(C(C)C)cc2)no1 71858823 FLKHZZULCWEMDZ-IBGZPJMESA-N 277.389 3.555 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccccn1 72210994 QGNMNJZMYZAXDJ-CYBMUJFWSA-N 262.353 3.544 0 40 CHAB CC[C@@](CO)(NCc1ccc(C)c(C)c1)c1ccccc1 72289912 KWNHYEFBWUINRS-IBGZPJMESA-N 283.415 3.691 0 40 CHAB CC1CC(COc2cccc(Br)c2)C1 85390937 GVHVPFLRGJFLRZ-UHFFFAOYSA-N 255.155 3.874 0 40 CHAB CC(C)c1sc(Cl)nc1C(=O)Nc1ccncc1 95472156 DTVINTUMFCSXQJ-UHFFFAOYSA-N 281.768 3.567 0 40 CHAB COC(=O)c1c(-n2c(C)ccc2C)sc(C)c1C 98063781 DXWCPIUUVFYHOK-UHFFFAOYSA-N 263.362 3.559 0 40 CHAB Fc1cc(Br)cc2sc(Cl)nc12 200177745 BTYMVNZOAAXVQP-UHFFFAOYSA-N 266.522 3.851 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CC[C@H]1CCCCN1 211626074 RMFTVQFBERWPGY-HUUCEWRRSA-N 296.455 3.698 0 40 CHAB Cc1ccc(O[C@H](Cc2ccccc2Cl)C(=O)O)cc1 225055732 MZNZZTYIBGBBRL-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB C[C@H](SCC(=O)Nc1ccccc1)c1cccnc1 225690656 XKSLDPFVJLNQCN-LBPRGKRZSA-N 272.373 3.515 0 40 CHAB O=C(c1cc(Cl)ccc1Br)C(F)(F)F 238552966 VEUFYHFPYCXIOR-UHFFFAOYSA-N 287.462 3.848 0 40 CHAB O=C(Oc1ccc(-c2ccccc2)nn1)c1ccccc1F 408529763 OJQXPZCWONWJJA-UHFFFAOYSA-N 294.285 3.502 0 40 CHAB COc1cccc(NC(=S)Nc2ccc3conc3c2)c1 409195717 KIUMJOQOGWNZEP-UHFFFAOYSA-N 299.355 3.645 0 40 CHAB CCCOc1cnc2c(Br)cccc2c1 558690886 NNMAZJONUYOFOG-UHFFFAOYSA-N 266.138 3.786 0 40 CHAB COc1ccc(-c2c(C)c3ccccc3oc2=O)cc1 58056 NTMFLYCPLGOGIP-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB biogenic CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1S 124162 YFSQMAXVIUPMDA-UHFFFAOYSA-N 278.764 3.597 0 40 CHAB O=C(Nc1ccccc1)c1cc(Cl)nc(Cl)c1 163079 MZQUDZKXEJCIBD-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB c1ccc(Cc2cc[n+](Cc3ccccc3)cc2)cc1 1558393 AJKQRIKNBKRYEW-UHFFFAOYSA-N 260.360 3.613 0 40 CHAB C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@H]12 1682242 MUMGGOZAMZWBJJ-VUQDICHWSA-N 288.431 3.879 0 40 CHAB COc1ccccc1CCC(=O)c1ccc(F)cc1F 2516484 KTANXKXLLQDZSK-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB CC(C)c1ccc(NC(=O)[C@@H](F)C(F)(F)F)cc1 3183730 PTTWPTPTRGHOSL-SNVBAGLBSA-N 263.234 3.649 0 40 CHAB C[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@H]1O 4375815 FAHFBUDMUKEFDS-PIKADFDJSA-N 281.399 3.802 0 40 CHAB Clc1ccc2oc3c(N4CCCC4)ncnc3c2c1 5195553 NPNDSCPSYIJTBC-UHFFFAOYSA-N 273.723 3.630 0 40 CHAB CCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1 5906460 GHUNDTTVRXJVGF-UHFFFAOYSA-N 285.431 4.000 0 40 CHAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(C)C1=O 6356038 WVEOJHSUNIRFKA-YWEFTTLKSA-N 291.372 3.530 0 40 CHAB CC[C@H](NC(=O)c1ccccc1F)c1ccc(OC)cc1 7037392 ZEOBRUBMKZLWTG-INIZCTEOSA-N 287.334 3.715 0 40 CHAB Cc1c(Cl)cccc1-c1ccc(CNC(C)(C)CO)o1 7538800 CXGVBSYSOMVKOR-UHFFFAOYSA-N 293.794 3.769 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1cc(F)cc(F)c1 7654294 PQGCTKGJVSKRNU-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB O=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)CCC2 12754828 MOGBOPMYIOEYIX-UHFFFAOYSA-N 288.350 3.976 0 40 CHAB Cc1ccc(CNC(=O)N[C@H](c2ccccc2)C2CC2)cc1 12994164 WKRGVNRUPUDBSX-GOSISDBHSA-N 294.398 3.946 0 40 CHAB O=C(Nc1nc2c(s1)CCC2)c1ccc2c(c1)CCCC2 15636668 KCHBSUJWGGYBRD-UHFFFAOYSA-N 298.411 3.763 0 40 CHAB Fc1cccc(F)c1NC(=S)NC1CCCCC1 19075144 KGADZRKPPVDKIU-UHFFFAOYSA-N 270.348 3.584 0 40 CHAB Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 20345118 VNQHFXRSWBJZIN-RMKNXTFCSA-N 272.735 3.574 0 40 CHAB O=C1c2ccccc2-c2cc3onnc3c3cccc1c23 22636360 BSKAQCKXGOWIRG-UHFFFAOYSA-N 272.263 3.587 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(Cl)cc1Cl 23555598 IMODMLZRQKPOTO-FYBVGQRMSA-N 272.175 3.827 0 40 CHAB C[C@@H](NC(=O)C1CC1)c1ccc(Cl)c(Cl)c1 23976000 WABZUPKWSXVFII-SSDOTTSWSA-N 258.148 3.581 0 40 CHAB COCc1cccc(NC(=O)CCc2ccc(C)cc2)c1 25335568 XIWSAIHRGMCXAV-UHFFFAOYSA-N 283.371 3.713 0 40 CHAB Cc1cccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1 29482462 MUBSGENNPUDQNO-SFHVURJKSA-N 294.398 3.553 0 40 CHAB CCOc1cccc(CNC(=O)/C=C/c2ccc(F)cc2)c1 30753467 QHXUIKFLOWCFFL-DHZHZOJOSA-N 299.345 3.554 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)[C@H]2CC=CCC2)cc1 31695227 MZCFASOPNDEOPM-OCCSQVGLSA-N 275.417 3.942 0 40 CHAB O=C(O)c1c(Cl)cc(Cl)cc1C(F)(F)F 35976700 FVIZELGUCPDMLE-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB COc1ccc(F)cc1C(=O)c1ccc(F)cc1Cl 37362408 BRDGTECFZDTIIB-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB O=C(Nc1ccc2ccccc2n1)c1cccc(F)c1 39976163 KHLOWUCVNVXAKA-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB COc1ccc(NCc2ccc(O)c(Cl)c2)cc1 43476969 SXQNXYCSBXEMLC-UHFFFAOYSA-N 263.724 3.666 0 40 CHAB CCc1ccc(NC(=O)NCc2ccc(C)cc2)cc1 44845373 FLPQDUWUAFNQRF-UHFFFAOYSA-N 268.360 3.879 0 40 CHAB Cc1cc(C)c2oc(-c3ccc(-n4cnnc4)cc3)nc2c1 45920437 ISVBGOFWNWEPLX-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB CC(C)(C)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 48326471 LBMXIAHPLFEAIA-HUUCEWRRSA-N 293.382 3.598 0 40 CHAB Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1N 57340487 GVYCLVWTMHWIBE-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB CC(C)NC(=O)NC(c1cccs1)c1cccs1 72291904 LZIQXWCDVPJGRL-UHFFFAOYSA-N 280.418 3.607 0 40 CHAB Cn1cnnc1CSCc1ccc(Cl)cc1Cl 91026888 VFOXQUPVEIDFOO-UHFFFAOYSA-N 288.203 3.555 0 40 CHAB Cc1nnc(COc2ccc(C(C)C)cc2)n1C1CC1 91592175 VSBYTKFTQFAGER-UHFFFAOYSA-N 271.364 3.624 0 40 CHAB CC[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 91690091 CFPAZFRBZHGEHZ-NSHDSACASA-N 261.365 3.900 0 40 CHAB Nc1ccc(-c2csc(N3CCCCCC3)n2)cc1 91960221 KBFXOEOOLASRFP-UHFFFAOYSA-N 273.405 3.773 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100631102 HLLMKAGHNZRMKS-NHIYQJMISA-N 289.444 3.780 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999202 GZLMXKGDLFLCCX-MEWXFMAXSA-N 291.822 3.823 0 40 CHAB Cc1ccc(C(=O)C(F)(F)F)cc1Br 107710706 IBBYHASSXPEMAR-UHFFFAOYSA-N 267.044 3.503 0 40 CHAB O=C(O)c1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1 137227675 MCAMEVXJFFASIH-UHFFFAOYSA-N 291.253 3.575 0 40 CHAB Cc1cc(Br)cc(C=O)c1OCC(C)C 160766254 RXDCJAZYSRDOBA-UHFFFAOYSA-N 271.154 3.605 0 40 CHAB CC(C)(C)NC(=O)CSCc1ccc(Cl)cc1F 187955178 HBKZGNDLQVMDBJ-UHFFFAOYSA-N 289.803 3.627 0 40 CHAB O=Cc1ccc(OC(F)(F)F)cc1OCc1ccccc1 199384201 ZRCRWEBKPSBHGF-UHFFFAOYSA-N 296.244 3.977 0 40 CHAB NCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 199826606 BISODMIBWCGFDF-UHFFFAOYSA-N 295.169 3.704 0 40 CHAB Cc1ccc2c(c1)[C@H](NC(=O)C(C)(C)C)CC(C)(C)O2 225545946 KBOUXECCMZRGFH-CYBMUJFWSA-N 275.392 3.760 0 40 CHAB CN1C(C)(C)CC(NC2CCCCC2)CC1(C)C 255189147 OAOUGXMXMLQBRL-UHFFFAOYSA-N 252.446 3.560 0 40 CHAB CC[C@H](C)n1ccc(NCc2ccnn2[C@H](C)CC)n1 256053564 RYWQDMBBVZQAOP-QWHCGFSZSA-N 275.400 3.634 0 40 CHAB CCN1C(=O)/C(=C\c2ccc(O)c(Cl)c2)c2ccccc21 409110630 FNJYQPWTOQLIFH-LCYFTJDESA-N 299.757 3.953 0 40 CHAB Cc1ccccc1[C@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 513041121 MZXTXNBNCRUWKE-KRWDZBQOSA-N 291.398 3.861 0 40 CHAB CC(C)(C)C(=O)Nc1c(Br)ccc2c1CCC2 2049305488 XRQXBSLPSXPEHC-UHFFFAOYSA-N 296.208 3.922 0 40 CHAB c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1 1534 MXHODDGKGSGCDI-UHFFFAOYSA-N 280.415 3.789 0 40 CHAB in-man CC(C)[C@H](C(=O)Nc1nccs1)c1ccccc1 249464 KRDWLOVJYLFTGK-LBPRGKRZSA-N 260.362 3.521 0 40 CHAB O=c1cc(CCc2ccccc2)[nH]c(-c2ccccc2)c1 387883 RRVCULFHUPJHTG-UHFFFAOYSA-N 275.351 3.827 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CC 2739940 WNYYYAPMTLOVCB-ZBFHGGJFSA-N 275.392 3.635 0 40 CHAB CCCCCc1cc(Cl)ccc1OCC(=O)O 1628216 RCLJEHNKBYFTOZ-UHFFFAOYSA-N 256.729 3.536 0 40 CHAB Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 616194 GPHWKSMAPBOQQE-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB CCCCOP(=O)(OCCCC)C(C)(C)O 1678072 FSQPWLSBMZGPRY-UHFFFAOYSA-N 252.291 3.541 0 40 CHAB Cc1cc(C)c(CN(C)C)c(C[C@@H](O)c2ccccc2)c1 1713604 AATDXFHWKWWEBE-LJQANCHMSA-N 283.415 3.641 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CN1CCCCCC1)C2 4372355 SLDMLDVVHRLHBB-HDMKZQKVSA-N 293.451 3.620 0 40 CHAB O=N/C(=C(/c1ccccc1)N1CCOCC1)c1ccccc1 4962632 XCINXTZVGIOBGZ-ZCXUNETKSA-N 294.354 3.611 0 40 CHAB CC(C)N(C(=O)Cc1ccc(Br)cc1)C(C)C 103933340 SGOKMPIJLBDGQU-UHFFFAOYSA-N 298.224 3.637 0 40 CHAB O=C(Nc1ccccc1)c1c[nH]c(=S)n1-c1ccccc1 12556332 VGNHLWHWGKVCLP-UHFFFAOYSA-N 295.367 3.787 0 40 CHAB CCc1ccc2oc(-c3cc(N)c(C)c(N)c3)nc2c1 57351253 FBAHNZJQMUJLSC-UHFFFAOYSA-N 267.332 3.530 0 40 CHAB C[C@H]1C(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 55483913 IKSGNXSKFBMJLS-OWQGQXMQSA-N 265.356 3.668 0 40 CHAB COc1ccc2c(c1)[C@@]13CCN(C)[C@H](C2)[C@@H]1CC(C)=C(C)C3 104140298 OYGGFLRVKPKVSI-ZCNNSNEGSA-N 297.442 3.940 0 40 CHAB CCc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)s1 102197679 WWLPNFYHGAJCAR-BYNQJWBRSA-N 277.433 3.865 0 40 CHAB Cc1ccc(NC(=O)c2ccc3ccccc3n2)c(O)c1 3397899 RWMSBOSTKBSADI-UHFFFAOYSA-N 278.311 3.501 0 40 CHAB CCCCC(=O)N[C@H](c1ccccc1)C(F)(F)F 59301549 UUHZBJKXHBARIY-GFCCVEGCSA-N 259.271 3.596 0 40 CHAB Cc1cccc(C)c1C(=O)c1cccc(CN2CC=CC2)c1 2515400 CWUVQJCZECFPHH-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)c1c(F)cccc1F 3446247 DNLPBJIGLIXOAT-LBPRGKRZSA-N 289.325 3.716 0 40 CHAB Cc1cc(=O)[nH]c(C)c1Cc1ccc(Cl)cc1Cl 8781614 GHIDZVFAHLFUJK-UHFFFAOYSA-N 282.170 3.889 0 40 CHAB C[C@H]1CCc2ccc(Br)cc2C(=O)C1 61831332 ZZAHJKXWABEEHE-QMMMGPOBSA-N 253.139 3.604 0 40 CHAB in-vitro CC(=O)Nc1ccc(C(=O)COc2ccc(C)c(C)c2)cc1 6941162 MBMRSMUQHJLVRX-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB O=C1CCN=C(c2ccccc2F)c2cc(Cl)ccc21 26898285 MXBMBCKVMVLOBI-UHFFFAOYSA-N 287.721 3.903 0 40 CHAB Cc1ccc2nc(C(F)(F)Br)cc(O)c2c1 68591445 KQNNQOZKCKJNDK-UHFFFAOYSA-N 288.091 3.693 0 40 CHAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(C)cc1 30861738 XWLICMMHMDYAGJ-ZDUSSCGKSA-N 299.370 3.503 0 40 CHAB Clc1ccccc1-c1nnc(-c2cnc(C3CC3)nc2)o1 216609390 PJBYKOJJWAANGV-UHFFFAOYSA-N 298.733 3.724 0 40 CHAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 38753880 YBXVGAIENDFEFD-AWEZNQCLSA-N 285.362 3.862 0 40 CHAB Clc1cc(Cl)c2ncn(CN3CCCCC3)c2c1 73634259 UISIBXZOLUEJIM-UHFFFAOYSA-N 284.190 3.787 0 40 CHAB CNc1ncc([C@H]2CCCN2C(=O)OC(C)(C)C)cc1C 72218978 YNRKOYJQASBEOD-CYBMUJFWSA-N 291.395 3.504 0 40 CHAB Cc1ccc(C)n1CCC(=O)Nc1cccc2cccnc12 74694538 ONEWPTWSOMTRST-UHFFFAOYSA-N 293.370 3.682 0 40 CHAB CCc1cccc(NC(=O)NCCc2ccccc2OC)c1 40098838 GZLUYGMUYMLDKP-UHFFFAOYSA-N 298.386 3.622 0 40 CHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC)c(Cl)c1 225732769 VOCAOWMOCLPJGT-OAHLLOKOSA-N 299.798 3.882 0 40 CHAB CCCCOc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 225170229 SOKGFMQEYUVEBR-PBHICJAKSA-N 277.408 3.695 0 40 CHAB CC(C)CNCc1cccn1[C@@H](C)c1ccccc1 223691309 SWRKHMPTAMQWBC-HNNXBMFYSA-N 256.393 3.843 0 40 CHAB COC(=O)c1ccc(Nc2ccc(C(C)C)cc2)c(N)c1 41080867 TWLQERMKSNVDLB-UHFFFAOYSA-N 284.359 3.922 0 40 CHAB CC(C)[C@@H](C)NC(=O)/C(=C/c1ccco1)c1ccccc1 225185622 UBOCULZSRUZLKL-RFRKOGIWSA-N 283.371 3.981 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 44253216 ABSZIHHGWAAZDZ-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Cc1ccc(C)c(-n2ncc3c(Cl)nc(Cl)nc32)c1 228956144 UXYPXKNKFKQDDA-UHFFFAOYSA-N 293.157 3.739 0 40 CHAB Cc1cccc(Nc2ccc(Br)cn2)c1 42376595 ZCJOIAUDKSMFLP-UHFFFAOYSA-N 263.138 3.896 0 40 CHAB O=C(c1cc(Br)ccc1F)C1CCCC1 83255851 NMLOCWDXWDLBHO-UHFFFAOYSA-N 271.129 3.961 0 40 CHAB Cc1nn(C)c2nc3c(Cl)cccc3c(Cl)c12 255189994 UHIGITLJLDCVLT-UHFFFAOYSA-N 266.131 3.737 0 40 CHAB Cc1cnc([C@H]2CCCN(C(=O)CC3CCCC3)C2)s1 257319598 VTFIGIMHMWNDCG-AWEZNQCLSA-N 292.448 3.738 0 40 CHAB 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 6780219 WDTAJXMIXADUTH-ZKDKXJPTSA-N 291.479 3.717 0 40 CHAB Fc1cc(Br)ccc1N1CCCCCC1 95915668 YXNVCUIIJRVGOA-UHFFFAOYSA-N 272.161 3.969 0 40 CHAB CC(C)n1cnnc1SCc1ccc(Cl)s1 39565343 VMCQEJBIVDXDBK-UHFFFAOYSA-N 273.814 3.866 0 40 CHAB COc1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1 3219911 JJIHBVJKHMSIJA-RIYZIHGNSA-N 285.730 3.841 0 40 CHAB CC1(C)CC2(CCN(C3CCCCC3)CC2)CO1 1616183692 HRAAHGADYCSLPB-UHFFFAOYSA-N 251.414 3.600 0 40 CHAB CCSc1ccccc1NS(=O)(=O)c1ccccc1 20456644 UYRLVWIYQXJNAZ-UHFFFAOYSA-N 293.413 3.599 0 40 CHAB Clc1ccc(-c2nc3ncccn3c2Cl)cc1 5906133 LUDWEWDXBCVPAT-UHFFFAOYSA-N 264.115 3.703 0 40 CHAB Cc1ccc(/C=C/C(=O)NCc2cccc(C)c2)cc1 13676448 UMCWLRLVNNLRDO-ZHACJKMWSA-N 265.356 3.633 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)ncn2C 162876203 VXYXJTSORDSVFN-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB CC(C)N(Cc1ccccc1)C[C@H](O)c1ccccc1 31938486 JTNBVNQXAVLMMC-SFHVURJKSA-N 269.388 3.631 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)NC2CCCCC2)c1C 22517188 ZJGSWZZEWQVEQW-CQSZACIVSA-N 275.392 3.520 0 40 CHAB O=C(Nc1ccc(F)cc1)c1ccc2ncsc2c1 105417 PGVBGRWHLIOYGX-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB CC(=O)Nc1ccc(C(=O)OC2CCCCCC2)s1 40032247 IKSGEBZRTOSALA-UHFFFAOYSA-N 281.377 3.586 0 40 CHAB O=C(C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1 185352 KHKLTJUWNXJNST-HNNXBMFYSA-N 294.272 3.710 0 40 CHAB C[C@@H](NC(=O)Cc1cccs1)c1ccc(Cl)s1 32039120 DTKDSRBBZKNTJE-MRVPVSSYSA-N 285.821 3.883 0 40 CHAB Cc1occc1C(=O)Nc1ccc(Cc2ccncc2)cc1 269633 WLHDWOXTCBPMMJ-UHFFFAOYSA-N 292.338 3.826 0 40 CHAB CCC1(CC)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21 477507 YLYIABHKKTUWPT-UHFFFAOYSA-N 286.400 3.713 0 40 CHAB COc1ccc2c(=O)c(Oc3ccccc3OC)coc2c1 489489 RQOKCPNLJHPOQK-UHFFFAOYSA-N 298.294 3.603 0 40 CHAB biogenic CC1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1 558372 BTLWIAZVIMOFHN-UHFFFAOYSA-N 284.359 3.768 0 40 CHAB CNC(=O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1 1397254 UKYQDZNWUGZHPW-UHFFFAOYSA-N 294.379 3.837 0 40 CHAB C[C@H](Cc1ccccc1)N[C@H](C)Cc1ccccc1 1765641 XIZFJFZATSHCAL-HZPDHXFCSA-N 253.389 3.838 0 40 CHAB in-vitro CCOC(=O)CCCCC(=O)c1ccc(C)c(C)c1 2378856 PDGPQEGQFXROHL-UHFFFAOYSA-N 262.349 3.610 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)o1 3559685 VPTCRJZYLYGXKY-CMDGGOBGSA-N 284.340 3.850 0 40 CHAB Cc1csc(NC(=O)/C=C/c2ccccc2Cl)n1 3562039 URQCAZBWUHDVHH-VOTSOKGWSA-N 278.764 3.757 0 40 CHAB O=C(NC(=O)C1CCCCC1)Nc1ccc(Cl)cc1 6634483 UACNPDSWKWVNJU-UHFFFAOYSA-N 280.755 3.568 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 7951353 USDJOLKPRVHFIJ-UHFFFAOYSA-N 280.371 3.848 0 40 CHAB C[C@H](NC(=O)CN1CCCCC1)c1cccc2ccccc12 11231992 CAUVGKLXJDNKAV-HNNXBMFYSA-N 296.414 3.503 0 40 CHAB CCc1ccc2oc(-c3ccc(OC)cc3)c(O)c(=O)c2c1 12016249 DTIVNRZFKLZIKS-UHFFFAOYSA-N 296.322 3.737 0 40 CHAB O=C(Nc1nccs1)c1occc1-c1ccccc1 12861935 TWXJLDCQMJBLFY-UHFFFAOYSA-N 270.313 3.655 0 40 CHAB CC(=O)c1ccc(Oc2nnc(C)c3ccccc23)cc1 12868608 DNVWLTURLURKPJ-UHFFFAOYSA-N 278.311 3.933 0 40 CHAB CCc1c(C)nc2cc(-c3cccs3)nn2c1Cl 13562847 FKLGNBMYVGORPF-UHFFFAOYSA-N 277.780 3.982 0 40 CHAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccccc1 14001486 QUBLEJZKBOZOFF-UHFFFAOYSA-N 298.411 3.684 0 40 CHAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 14227745 MZYXTZXYMUBELP-QGZVFWFLSA-N 297.354 3.905 0 40 CHAB CCCn1nnc2ccccc2/c1=N/c1ccccc1Cl 16954577 PZILFSANCBKULJ-VLGSPTGOSA-N 298.777 3.727 0 40 CHAB CCOc1cc(CO)cc(Cl)c1OCc1ccccc1 17023110 MHNZHKRVPMHTGH-UHFFFAOYSA-N 292.762 3.810 0 40 CHAB O=C(Nc1ccc2nsnc2c1)c1ccc(Cl)cc1 17083472 GRNVPJZDABMHPU-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB CCCCCCc1nnc(NC(=O)CC(C)C)s1 17112226 AGWNGPZRGJIHFO-UHFFFAOYSA-N 269.414 3.646 0 40 CHAB Cc1cc2c3ccc(C)n3ccn2c1CN1CCCCC1 18193245 LLVPULZSIHXPSY-UHFFFAOYSA-N 281.403 3.795 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 19387954 IKTSHNSWUFIPQH-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB Cc1ccnc(NC(=O)Nc2ccc3c(c2)CCC3)c1 20426652 RUNJENLWQQZVIM-UHFFFAOYSA-N 267.332 3.523 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCC[C@@H](C)C1 20459779 XEOZATYRTSGXIK-GDBMZVCRSA-N 289.419 3.719 0 40 CHAB C[C@@H](c1cccc(OCc2ccccc2)c1)N(C)C 22051343 KSGZYOKUQUKFBY-AWEZNQCLSA-N 255.361 3.888 0 40 CHAB in-vitro CCc1ccc(CCC(=O)Nc2cccc(COC)c2)cc1 25335103 CWNCYMIGIXVGEF-UHFFFAOYSA-N 297.398 3.967 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCCCCC1 30847989 HBDYKFCZHVRLBN-MRXNPFEDSA-N 289.419 3.863 0 40 CHAB O=C(Nc1ccccc1F)c1ccc2cc[nH]c2c1 40529087 QJBDDDJZNQUTCA-UHFFFAOYSA-N 254.264 3.559 0 40 CHAB CC(C)c1cc(Cl)ccc1OCC1CCNCC1 42775184 MMTHWYMLTUEBOU-UHFFFAOYSA-N 267.800 3.842 0 40 CHAB CC(C)[C@H](C)NC(=O)CSCc1cccc(Cl)c1 44195073 UHDCIHICZFCTNT-NSHDSACASA-N 285.840 3.734 0 40 CHAB CCCCN(Cc1cccc(OC)c1)C1CCC(O)CC1 60378866 RXBKAHQYLCOGOO-UHFFFAOYSA-N 291.435 3.601 0 40 CHAB CCCC[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)noc1C 65491057 RISUWKLVJRKHNV-HOCLYGCPSA-N 292.423 3.699 0 40 CHAB CC(C)c1noc(CN[C@@H](c2cccs2)C(C)C)n1 65554078 CZAMUTVDHNVAAV-CYBMUJFWSA-N 279.409 3.741 0 40 CHAB O=C(C=C1CCCCC1)Nc1cccnc1N1CCCCC1 65817111 YXBOEZXIMAGAHQ-UHFFFAOYSA-N 299.418 3.901 0 40 CHAB O=C(c1cc2cc(Cl)ccc2o1)N1CCCSCC1 71853576 CJUVWAXXPSKOMA-UHFFFAOYSA-N 295.791 3.665 0 40 CHAB CN(c1ccccc1)c1ncccc1[C@H]1CCCCN1 72214271 BZIADAHDUSVRHP-MRXNPFEDSA-N 267.376 3.664 0 40 CHAB CCCN1CCCC[C@@H]1c1cc(OC)ccc1OC 72221883 NRXFBSZHTWEPNJ-OAHLLOKOSA-N 263.381 3.641 0 40 CHAB Cc1cc([C@@H](O)c2ccccc2)cnc1NC(C)(C)C 72222931 BVCHAJIPQSECIF-HNNXBMFYSA-N 270.376 3.682 0 40 CHAB COc1cccc(CN2CCCC[C@H]2c2ccnc(C)n2)c1 72385062 PLBPCXYIYHYZNY-SFHVURJKSA-N 297.402 3.521 0 40 CHAB CCOc1ccc2nc(COc3ccccc3C)[nH]c2c1 82087021 MWWYTKGPOBSHCW-UHFFFAOYSA-N 282.343 3.849 0 40 CHAB CC(C)(C)OC(=O)NCc1ccccc1C(F)(F)F 82610446 IDQREVFITBUVSD-UHFFFAOYSA-N 275.270 3.730 0 40 CHAB C[C@H](NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C)c1ccccc1 100834783 YRRGAAPZEMLIFP-MJXNMMHHSA-N 299.414 3.649 0 40 CHAB Cc1ccc(Sc2c(O)c3ccccc3n(C)c2=O)cc1 101472531 HGINECSUHNZQGL-UHFFFAOYSA-N 297.379 3.704 0 40 CHAB CC1(C)CC(=O)[C@H]2Oc3ccc(Cl)cc3N=C2C1 101661814 QCYASNWBJNMYBG-ZDUSSCGKSA-N 263.724 3.563 0 40 CHAB CCc1nc(C)c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 106577993 UQMZLCINWXDQQI-IXOXFDKPSA-N 292.448 3.568 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(O)cc2)c(Cl)c1 192328533 XDRULSRXVHLYHD-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB CCOc1ccc(-c2cnc(N)n2C[C@H](C)CC)cc1 199414288 YJSIYLYLEDXLTN-GFCCVEGCSA-N 273.380 3.577 0 40 CHAB Cc1ccc(N(C)C(=O)Cc2cccs2)cc1C 222959626 DUTWEIHVYUOLLQ-UHFFFAOYSA-N 259.374 3.570 0 40 CHAB CC[C@@H](C(=O)OC)N1c2ccc(F)cc2C(C)=CC1(C)C 223199287 ARPBIPLYAJSQBN-AWEZNQCLSA-N 291.366 3.779 0 40 CHAB CCc1ccc(OCC(=O)NC[C@@H](C)c2ccccc2)cc1 224264645 VPNVRACLOXGESC-OAHLLOKOSA-N 297.398 3.548 0 40 CHAB CCN(c1cccc(C)c1C)S(=O)(=O)c1cccs1 225128515 XOCGKNYKWPSIDP-UHFFFAOYSA-N 295.429 3.580 0 40 CHAB Cc1cccc(NC(=S)N[C@@H](C)c2ccccc2C)n1 225755188 GLJPEEJHFVQXND-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB CCCCOc1ccc(Cl)cc1-c1noc([C@@H](C)N)n1 256049838 BRHZSUGNWOXSKF-SECBINFHSA-N 295.770 3.589 0 40 CHAB CC(C)n1cc(NCc2cc(C3CC3)nn2C(C)C)cn1 256052740 OLSVPIHAQDOYNU-UHFFFAOYSA-N 287.411 3.731 0 40 CHAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccoc1 575618690 AZZAJUYVSWJIKY-NSHDSACASA-N 285.368 3.855 0 40 CHAB Cc1ccccc1C(=O)NCc1cncc(-c2ccco2)c1 575618732 NXFMEITXFKUCGQ-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB CCc1[nH]c2ccc(Br)cc2c(=O)c1C(C)C 685937936 BXMSPDYXCLMGQR-UHFFFAOYSA-N 294.192 3.976 0 40 CHAB c1ccc2c(c1)[C@@H]1CC[C@H]2CN1Cc1nccs1 880539037 QDIVRFLFLDSWOR-FZMZJTMJSA-N 256.374 3.577 0 40 CHAB CCc1ccccc1NC(=O)[C@@](F)(Cl)C(F)(F)F 2751807 DJZGOEVMVZQFGC-JTQLQIEISA-N 283.652 3.654 0 40 CHAB Cc1cc(C)c2nc(NC(=O)c3ccc(N)cc3)sc2c1 912048 YVWIAHQPHWDHGI-UHFFFAOYSA-N 297.383 3.748 0 40 CHAB Cc1cc(C)c2c(c1)CC(C)(C)C[C@]2(O)[C@H]1CCCCN1 1668787 GLZCSJATWRPEOC-APWZRJJASA-N 287.447 3.606 0 40 CHAB Cc1cccc(Cl)c1OCC(=O)Nc1ccccc1 1732125 QZBWILJNDGNYNA-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB CC(C)(C)c1ccc(OS(=O)(=O)c2ccccc2)cc1 1867105 GLHUQIUKLSAEEK-UHFFFAOYSA-N 290.384 3.752 0 40 CHAB C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 4011727 ITAAODZSCWETAN-KBRIMQKVSA-N 265.356 3.668 0 40 CHAB O=C(OCc1cc(-c2ccccc2)on1)[C@@H]1C[C@H]2CC[C@H]1C2 105129943 DTJHFPBBHMPHGK-DUVNUKRYSA-N 297.354 3.821 0 40 CHAB CCCCN(CC)S(=O)(=O)c1ccc2ccccc2c1 57719008 RCEKGJJEESNREK-UHFFFAOYSA-N 291.416 3.651 0 40 CHAB O=C(CCc1ccccc1)OCc1nc2ccccc2s1 3272863 YKQLVSUOUJFKTM-UHFFFAOYSA-N 297.379 3.972 0 40 CHAB CC(C)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 44316390 GEIHYLJHEUTSRZ-UHFFFAOYSA-N 271.335 3.879 0 40 CHAB Fc1ccccc1-c1noc(-c2ccnc(Cl)c2)n1 22120490 FPJDVPYFNZIHGP-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1N 57340415 JAWVBBQWHQCFGE-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB COc1cccc(C(=O)N[C@H](c2ccccc2)C2CC2)c1 11203513 OGJCWGHPZDTFBB-QGZVFWFLSA-N 281.355 3.576 0 40 CHAB Cc1cccc(C(=O)c2ccccc2CN2CC=CC2)c1C 2515892 LERGEKKFGJEQIV-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB CCOC(=O)CCC(=O)c1cc(Cl)ccc1Cl 2580343 CPOBWFKXXRNQFC-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB CCc1nc2ccccc2n1Cc1nc2ccccc2[nH]1 23528967 VFLPQGSPLDUGBW-UHFFFAOYSA-N 276.343 3.523 0 40 CHAB O=C(c1ccccc1)N(Cc1cccs1)c1ccccn1 11914634 AZGQTNRGCUBHFE-UHFFFAOYSA-N 294.379 3.990 0 40 CHAB CCc1ccccc1NC(=S)N[C@H](C)C(C)(C)C 13933720 ZYMUHPBFWBPWLF-LLVKDONJSA-N 264.438 3.970 0 40 CHAB CCO[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1 5247607 GOKVIMNWZMCYMH-DLBZAZTESA-N 269.344 3.932 0 40 CHAB O=C(NC1CCCCCCC1)c1cc(Br)c[nH]1 14185820 GHPDVVOIEUAIRX-UHFFFAOYSA-N 299.212 3.620 0 40 CHAB CCCCC(=O)Nc1cc(-c2ccc(C)cc2)no1 5451249 AHDZVYUXLGTJAE-UHFFFAOYSA-N 258.321 3.779 0 40 CHAB O=c1oc2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 6590120 XTMMJPZUDIGXOF-UHFFFAOYSA-N 294.137 3.950 0 40 CHAB CNc1nc(-c2cc(C)n(-c3nccs3)c2C)cs1 7844456 WHKYHWOWKJMKPR-UHFFFAOYSA-N 290.417 3.716 0 40 CHAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CC=CCC1 7970565 WISKPWBVKKTKRE-SECBINFHSA-N 253.704 3.774 0 40 CHAB Cc1ccccc1C(=O)NCCc1csc(C(C)C)n1 69559131 UYQUEODZLYKYPM-UHFFFAOYSA-N 288.416 3.547 0 40 CHAB COC(=O)[C@@H]1CCCCc2c1[nH]c1ccc(Cl)cc21 38277081 PLSRFSLUCRJQMJ-LLVKDONJSA-N 277.751 3.804 0 40 CHAB Cc1cccc(OCc2nc(-c3ccc(F)cc3)no2)c1 35672080 OAVIHJWLYNUFCB-UHFFFAOYSA-N 284.290 3.763 0 40 CHAB CCOC(=O)c1c(N)sc2c1[C@]1(C)CC[C@H]2C1(C)C 35572278 QDFQSMRKTKDQKA-GLEZIHRCSA-N 279.405 3.682 0 40 CHAB Cc1cc(Nc2ccccc2O)nc2ccccc12 34402791 YWCTZOUSSMRFPU-UHFFFAOYSA-N 250.301 3.992 0 40 CHAB Clc1ccccc1CN1CCCC[C@H]1c1ccncn1 72384977 BAKLKTNEDOFFLA-INIZCTEOSA-N 287.794 3.857 0 40 CHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1Cl 31561632 ZOGNSSUHMSAHRU-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB c1ccc(C(OC2CC3(CNC3)C2)c2ccccc2)cc1 217798398 XRLPYINKRFVCCM-UHFFFAOYSA-N 279.383 3.545 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C)cc2C)cc1 222827773 RBPFJSUGOANBRW-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB CCCCOc1ccc(C(=O)c2cnccc2C)cc1 45029021 PFZJHVQGXGDNGM-UHFFFAOYSA-N 269.344 3.800 0 40 CHAB COc1ccc(OC)c(Cc2nc3ccc(C)cc3o2)c1 228954270 RGTRYQUGLFAYDF-UHFFFAOYSA-N 283.327 3.744 0 40 CHAB C[C@H]1CCCC[C@H]1N(C)Cc1nnc(C2CC2)n1C1CC1 97103353 ONURQICLVRDFQL-SWLSCSKDSA-N 288.439 3.501 0 40 CHAB O=C(c1ccc(Cl)c(F)c1)C(F)(F)C(F)(F)F 95916297 RKDOCNTXMAMBBB-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB COc1cc([C@H](C)NCc2ccc3occc3c2)ccn1 342287851 USXTUEKWUBKXTQ-LBPRGKRZSA-N 282.343 3.687 0 40 CHAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C)on1 32841311 IFALXTUJSQHYOJ-UHFFFAOYSA-N 299.783 3.752 0 40 CHAB C[C@H](CNC(=S)Nc1ccccc1)c1ccccc1 16244587 VUUULYSKEQGLCF-CYBMUJFWSA-N 270.401 3.777 0 40 CHAB Cc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)c(O)c1 47816669 XXUSLXPGEGKDJC-UHFFFAOYSA-N 294.310 3.608 0 40 CHAB CN(Cc1ccc(N)cc1Br)C1CCCCC1 37515899 ZMDVXKWAAKZYPO-UHFFFAOYSA-N 297.240 3.796 0 40 CHAB O=C(O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1Cl 563908 NRRRRXCBAVLZAB-AATRIKPKSA-N 293.662 3.546 0 40 CHAB C[C@@H](OC(=O)c1ccccc1)C(Cl)(Cl)Cl 162176 UOZZELCKTHEAQQ-SSDOTTSWSA-N 267.539 3.602 0 40 CHAB OCc1cc(Cl)ccc1OCc1ccccc1F 16991151 AVOYULGTTVPZTD-UHFFFAOYSA-N 266.699 3.550 0 40 CHAB S=C1ON=C(c2ccccc2)/C1=C/Nc1ccccc1 17176686 AQFLHTGXSAAFMM-KAMYIIQDSA-N 280.352 3.744 0 40 CHAB Cc1ccc(/C=C/C(=O)NCCOc2ccc(C)cc2)cc1 8238053 AFXWLWOILBCGIR-FMIVXFBMSA-N 295.382 3.512 0 40 CHAB O=C(c1ccc(F)cc1Cl)N1CCc2sccc2C1 12215919 IHZPDVFVPSMVAP-UHFFFAOYSA-N 295.766 3.739 0 40 CHAB CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(Cl)s1 13745640 SACMWSKHUSPZTQ-HTQZYQBOSA-N 260.790 3.560 0 40 CHAB COc1ccc(C)cc1COc1cccc(C(C)=O)c1 32739538 TZUKNIRSXFBQNH-UHFFFAOYSA-N 270.328 3.785 0 40 CHAB O=C(NCCc1ccc(-c2ccco2)s1)c1ccco1 2086896618 DGIMXYPWTTZWNE-UHFFFAOYSA-N 287.340 3.574 0 40 CHAB C[C@@H]1SC2(CCCCC2)N(c2ccc(F)cc2)C1=O 93007 BTMNNQZVTZOLFI-NSHDSACASA-N 279.380 3.954 0 40 CHAB Cn1ncc2[nH]c(-c3ccccc3-c3ccccc3)nc21 20601305 MVLBONMIQHJSIV-UHFFFAOYSA-N 274.327 3.630 0 40 CHAB CCn1c(NCc2ccc(C)o2)nc2ccccc21 20867613 HZZIRANSZIXERZ-UHFFFAOYSA-N 255.321 3.570 0 40 CHAB CCOc1ccccc1C(=O)Oc1ccc(C)cc1 363559 YNXPPXHCUZSSIR-UHFFFAOYSA-N 256.301 3.613 0 40 CHAB CC(C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2)o1 527039 GKMBUXNEQJIGBH-NSHDSACASA-N 297.811 3.671 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 144603 PLGQCFCSCMIWPW-UHFFFAOYSA-N 298.386 3.794 0 40 CHAB CC(C)(C)C1CCC(OC(=O)CN2CCCCC2)CC1 171998 BFSVLWJOPCYXNM-UHFFFAOYSA-N 281.440 3.620 0 40 CHAB Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)C(C)C 235267 CKWNUKOSTNWMLO-UHFFFAOYSA-N 295.342 3.793 0 40 CHAB CC(C)(C)CC(=O)Nc1nnc(C2CCCCC2)s1 380311 NGKNXCRRJQVWTM-UHFFFAOYSA-N 281.425 3.961 0 40 CHAB COc1ccccc1OC(=O)c1cccc(Cl)c1 385918 JXYPHXZUDGDRMG-UHFFFAOYSA-N 262.692 3.568 0 40 CHAB CCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1C 411261 JHPSWNWOWFOFBA-UHFFFAOYSA-N 288.372 3.657 0 40 CHAB CCC(=O)N(CC)c1nc(-c2ccc(OC)cc2)cs1 418992 KFWSOMGPCXLBRB-UHFFFAOYSA-N 290.388 3.582 0 40 CHAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1Cl 513676 ARIIXSOAZIFEOI-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB COc1ccccc1C(=O)CCc1ccc(C)cc1 2516429 ZMNHEFUMOPOGAS-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB O=C(COC(=O)c1cccc2ccccc12)c1ccccc1 3441475 NCONDQMIHDAGBM-UHFFFAOYSA-N 290.318 3.880 0 40 CHAB CCCOc1ccccc1NC(=O)COc1ccccc1C 3554014 SDJZWBJUDAHGRN-UHFFFAOYSA-N 299.370 3.801 0 40 CHAB C1=CC[C@H]2[C@H](C1)CN1CCc3c([nH]c4ccccc34)[C@H]21 4026242 OUQFYCOJMMHQMV-VBHSOAQHSA-N 264.372 3.663 0 40 CHAB CCn1c(/C=C/c2cccc(C)c2)nc2ccccc2c1=O 4859889 MVVYMOGQFLCRQA-VAWYXSNFSA-N 290.366 3.895 0 40 CHAB O=C(Nc1ncccc1Cl)c1ccccc1Cl 4901665 CKXLMCGLUYYFDV-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H]1CC2CCC1CC2 5532661 UBWAPIJEWRMFDH-OCLKLICZSA-N 275.367 3.770 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cccnc2Cl)c1 6272222 NAODDBPJEBDXAT-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB COc1ccc(N(C)C(=O)c2nc3ccccc3s2)cc1 8091320 XLXITTAUTXWCJU-UHFFFAOYSA-N 298.367 3.582 0 40 CHAB CN(C)c1cccc(C(=O)N[C@H](c2ccccc2)C2CC2)c1 11204019 LBFAMDQIBCJZMM-GOSISDBHSA-N 294.398 3.634 0 40 CHAB Cc1ccc2nc3c(cc2c1)CN(C1CCCC1)C(=O)O3 12146044 MQDDMYYZCMJKMN-UHFFFAOYSA-N 282.343 3.800 0 40 CHAB Cc1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1 12806650 MRCUGCMEEREEIT-UHFFFAOYSA-N 282.368 3.881 0 40 CHAB CCCNC(=O)c1ccccc1SCc1cscn1 12818403 YCSSKYKKHLCIMN-UHFFFAOYSA-N 292.429 3.575 0 40 CHAB FC(F)(F)c1cc(NC2CC2)c2ccccc2n1 12985792 NAWRYLHRUJTYFJ-UHFFFAOYSA-N 252.239 3.828 0 40 CHAB Cc1ccsc1CN(CCCO)CC1CCCCC1 13997277 NSGKLSZBSZFFHJ-UHFFFAOYSA-N 281.465 3.821 0 40 CHAB Cc1ccc(NC(=O)c2cn3ccc(C)cc3n2)c(Cl)c1 15632656 WVIWJUMAJRKLEF-UHFFFAOYSA-N 299.761 3.857 0 40 CHAB CC(C)c1nn(C)c2nc(-c3cc(F)c(F)cc3F)[nH]c12 20538458 BBTLZJYYSCKRDS-UHFFFAOYSA-N 294.280 3.504 0 40 CHAB Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccccc2)c1 22520485 BIFVWLKPNFONDC-HNNXBMFYSA-N 267.372 3.723 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 22523404 VFQMNQCKDNZYRR-LSDHHAIUSA-N 277.408 3.766 0 40 CHAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccsc1 32907736 RMZCXHBUYPNQGW-NXEZZACHSA-N 277.311 3.599 0 40 CHAB Cc1cc(NC(=O)C2(c3cccs3)CCCC2)sn1 38680616 PCUYJQGRJQTTLF-UHFFFAOYSA-N 292.429 3.964 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)CCc2ccccc2Cl)C1 40069702 JOUIEIACLFJSAZ-OCCSQVGLSA-N 279.811 3.968 0 40 CHAB Cc1ccc(CNC(=O)NC2(c3ccccc3)CCC2)cc1 40150014 FWLSNSIHASRWQD-UHFFFAOYSA-N 294.398 3.874 0 40 CHAB Cc1ccc(-c2nc(CNc3ccc(F)cc3)n[nH]2)cc1 40174537 MUXHUYDGKIZCFN-UHFFFAOYSA-N 282.322 3.531 0 40 CHAB CC(C)(C)c1ccc(-c2nnc3n2CCCCC3)cc1 40537715 QLCDBEQNERSYDS-UHFFFAOYSA-N 269.392 3.969 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1cnc2ccccc2c1 43387633 XFMNSQVDURXNEU-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB COC1CCN([C@H](C)c2ccccc2Cl)CC1 53906815 ZABSOCIKGRJOAQ-LLVKDONJSA-N 253.773 3.512 0 40 CHAB C[C@@H](Cc1c(F)cccc1F)NC(=O)C1CCCCCC1 58222792 NFBZESSICYPEFF-LBPRGKRZSA-N 295.373 3.982 0 40 CHAB COc1c(F)cc(NCCOc2ccc(C)cc2)cc1F 59807846 IMLXBSCENDRAJD-UHFFFAOYSA-N 293.313 3.773 0 40 CHAB Cc1cc2cccc(Br)c2nc1Cl 63116190 RGZHHBXTNGGWBT-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB Cc1c(Br)cc(Br)nc1Cl 71257005 FRFJOOCUPWLPGF-UHFFFAOYSA-N 285.366 3.568 0 40 CHAB Cc1cc([C@@H]2CCCCN2C(C)C)cnc1Cl 72217800 WCVGWYCHPQAJLR-ZDUSSCGKSA-N 252.789 3.979 0 40 CHAB COc1ccc([C@@H](NCc2cccc(O)c2)C2CC2)cc1 73053013 NSHGQAZBDXWKSZ-SFHVURJKSA-N 283.371 3.642 0 40 CHAB C[C@H](NC(=O)[C@H]1CC=CCC1)C(C)(C)c1ccccc1 78743199 QLUUWDDYAWURJA-GJZGRUSLSA-N 271.404 3.825 0 40 CHAB COCc1ccccc1NC(=O)Nc1cc(C)ccc1F 79101221 HUZJQJZBIQITAY-UHFFFAOYSA-N 288.322 3.925 0 40 CHAB c1ccc2c(-c3csc(-c4ccn[nH]4)n3)c[nH]c2c1 84590770 SNPCFBMEXDWENG-UHFFFAOYSA-N 266.329 3.682 0 40 CHAB C[C@H](CC[C@@H]1CCCO1)NCc1cnc(C2CCC2)s1 95415435 APIFIPSYFVBPMC-OCCSQVGLSA-N 294.464 3.848 0 40 CHAB CSc1ccc(NCc2cscn2)cc1F 95429293 ZJAIAXUCIIQBHW-UHFFFAOYSA-N 254.355 3.616 0 40 CHAB COc1cccc(F)c1C(=O)c1cccc(SC)c1 95917199 KVYLUEGCFUXERW-UHFFFAOYSA-N 276.332 3.787 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1nccs1 95950841 RIEXZIDIPYLFCO-VXGBXAGGSA-N 289.404 3.573 0 40 CHAB O=[S@](Cc1cc(-c2ccccc2)no1)CC1CCCC1 95986503 DNIVZTLYEMBGKH-HXUWFJFHSA-N 289.400 3.781 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(F)c(F)c1)C2 105550037 HEVVFWBQIISWPV-YLVFBTJISA-N 293.357 3.909 0 40 CHAB COc1cc2ccccc2cc1C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113951810 RDBQQPIVPPMUHC-VMGRFDJRSA-N 295.382 3.767 0 40 CHAB Cc1ccc(C(=O)N2CCCC(C)(C)C2)c(Cl)c1 225003733 JUTAIDPHWPNCOA-UHFFFAOYSA-N 265.784 3.911 0 40 CHAB CCCn1c(Cc2ccc(C)cc2)ccc1C(=O)OC 226029364 NPFSKYARDZJBFK-UHFFFAOYSA-N 271.360 3.584 0 40 CHAB CNc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 226285808 RFMPXHSEGWJKDI-UHFFFAOYSA-N 296.326 3.735 0 40 CHAB Cc1nn(CC(C)C)cc1NCc1cccc(F)c1 256052135 MAOAVIATYSZASA-UHFFFAOYSA-N 261.344 3.599 0 40 CHAB ClC1(Cl)C[C@H]1CCN1CCCC[C@@H]1c1cn[nH]c1 521396166 YJRWZUIZISCCAU-VXGBXAGGSA-N 288.222 3.521 0 40 CHAB Clc1ncncc1Oc1ccc(Br)cc1 685936022 AINRIUJKTVJBNB-UHFFFAOYSA-N 285.528 3.685 0 40 CHAB Oc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2O 1609847 OFUZRNFKGNCOGU-ZDUSSCGKSA-N 267.111 3.761 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)Nc1nccs1 1752974 QVUZLBIRKCDISJ-UHFFFAOYSA-N 267.741 3.749 0 40 CHAB CCCCC(=O)Nc1cccc(Br)c1 2181302 FVIRGTOMCBSPQG-UHFFFAOYSA-N 256.143 3.578 0 40 CHAB CCCCN(CCCC)C(=O)c1cc(OC)cc(OC)c1 2734162 PMSIJOHSIPBHJH-UHFFFAOYSA-N 293.407 3.746 0 40 CHAB C[C@H](NC(=O)CCc1cc2ccccc2o1)c1cccnc1 22763930 LQLKVDVVGPZDNO-ZDUSSCGKSA-N 294.354 3.638 0 40 CHAB C[C@]12CC[C@H]3[C@@H](C=C[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 6500181 XGWRPPUOKMMEOO-YSZCXEEOSA-N 290.447 3.527 0 40 CHAB COc1cc(NC(=O)C[C@H]2C=CCC2)c(OC)cc1Cl 23325613 FGXBFQSTECJATH-JTQLQIEISA-N 295.766 3.652 0 40 CHAB CCCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1 92729562 RTVJWYVVYJTZSQ-QGZVFWFLSA-N 299.418 3.926 0 40 CHAB Cc1ccc(CNc2ncnc3cc(Cl)ccc23)o1 1405690 RJNJMWOBJUFYHB-UHFFFAOYSA-N 273.723 3.797 0 40 CHAB CC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 97016966 MNIAZBORNDDSKR-ONGXEEELSA-N 283.828 3.937 0 40 CHAB Fc1ccc(CCNc2ncnc3cccc(F)c23)cc1 108198141 OYNJLSJSNFUEMQ-UHFFFAOYSA-N 285.297 3.563 0 40 CHAB O=C(c1cc2occc2n1Cc1ccccc1)N1CCCC1 35474938 AUPQJZXYJJCFCO-UHFFFAOYSA-N 294.354 3.519 0 40 CHAB O=C(O)c1cc2cc(Br)cc(Cl)c2o1 35656141 JSFLHPTVWOEVMZ-UHFFFAOYSA-N 275.485 3.547 0 40 CHAB CCC[C@H](NC(=O)CC[C@H]1CCCO1)c1ccccc1 46162801 QZXBTWXEMARZGW-CVEARBPZSA-N 275.392 3.603 0 40 CHAB COc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)cc1 3482672 SYZGOVLVMVBCLL-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H](C)C1 12953185 NROSCWJKDBKFMY-LBPRGKRZSA-N 284.359 3.522 0 40 CHAB CC(C)[C@@]1(CCNCc2ccco2)CCOC(C)(C)C1 4063455 ZJLQNGZFFWDROY-KRWDZBQOSA-N 279.424 3.991 0 40 CHAB biogenic CSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 5009830 OEUYCPQAGWOMPR-UHFFFAOYSA-N 283.702 3.660 0 40 CHAB Cc1noc(C)c1C(=O)Nc1ccc(N2CCCCC2)cc1 6553658 GJYPVFSDUHUCBD-UHFFFAOYSA-N 299.374 3.534 0 40 CHAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14397972 MNTDDSHYMSKZFV-CHWSQXEVSA-N 277.408 3.666 0 40 CHAB c1ccc(Oc2ccc(OC[C@@H]3CCCNC3)cc2)cc1 14631245 RWFQHFAWSSDSRQ-OAHLLOKOSA-N 283.371 3.857 0 40 CHAB in-vitro C[C@H](CNC[C@@H]1CCCO1)COc1cccc2ccccc12 4811911 VOHCIXMVPQJCBT-WBVHZDCISA-N 299.414 3.623 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3ccccc3c2)C1 15434120 SOVOUOQQYLXVNS-ZIAGYGMSSA-N 267.372 3.958 0 40 CHAB CCc1cccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 7344511 UFBAPLSYEBFTMC-YIONKMFJSA-N 285.387 3.583 0 40 CHAB CCCCCCn1c2ccccc2c2nnc(S)nc21 26509938 MAKQQRIKKJYDOD-UHFFFAOYSA-N 286.404 3.849 0 40 CHAB C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc2c(c1)COC2 91680705 MYSVJXLYRRNNHL-LBPRGKRZSA-N 299.345 3.673 0 40 CHAB c1ccc2c(c1)CC[C@H]2N(Cc1nc(C2CC2)no1)C1CC1 71826824 AOWJRBPQMGVSCY-MRXNPFEDSA-N 295.386 3.599 0 40 CHAB COCCCCC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 84697759 YWQQYBUILSAQBP-GUYCJALGSA-N 293.382 3.552 0 40 CHAB Nc1[nH]nc(COc2ccccc2)c1-c1ccc(Cl)cc1 20154831 HHXXVTAZKRGSGC-UHFFFAOYSA-N 299.761 3.891 0 40 CHAB Oc1ccc2ccc3c(c2c1)CN(Cc1ccccc1)CO3 62241525 CLOONOJPKIVAIE-UHFFFAOYSA-N 291.350 3.898 0 40 CHAB CSc1ccc(/C=C2\C(=O)N(C)c3ccccc32)cc1 33447515 NIDAZTPPHKRSGN-PTNGSMBKSA-N 281.380 3.926 0 40 CHAB COc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72211745 ONPZDPJXCPXYMO-KRWDZBQOSA-N 282.387 3.817 0 40 CHAB CCN(CC)c1ccc([C@H]2CCCN2CC(C)C)cn1 72212840 LEULWFVPQUYQBN-MRXNPFEDSA-N 275.440 3.721 0 40 CHAB O[C@@H](c1ccccc1Br)C1CCCC1 43560640 KNJBVYDOFBWHQP-GFCCVEGCSA-N 255.155 3.673 0 40 CHAB O=C(O)c1ccc2nc(Cl)cc(C(F)F)c2c1 225758776 PQPLZHCMNTYJJO-UHFFFAOYSA-N 257.623 3.524 0 40 CHAB CC(C)c1cc(Br)ccc1-n1cccc1CO 223734859 ZTKIFVADFRVZNJ-UHFFFAOYSA-N 294.192 3.856 0 40 CHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C(C)(C)C 225658474 IXVVUEDYNKFSMK-CYBMUJFWSA-N 275.392 3.760 0 40 CHAB NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 49888120 COSJOZXOFRATBA-UHFFFAOYSA-N 289.640 3.718 0 40 CHAB CCCCNC(=S)Nc1c(C)cccc1CC 13788986 BWAUIWUXLBCJTL-UHFFFAOYSA-N 250.411 3.644 0 40 CHAB c1ccc2c(c1)nc(C1CCCC1)n2C[C@@H]1CCCNC1 96510517 JWFPIALVSZDWTA-CQSZACIVSA-N 283.419 3.694 0 40 CHAB CC[C@H](c1ccccc1)c1nnc(NC(=O)C(C)C)s1 95116317 XCOQSYQYCLJNGU-GFCCVEGCSA-N 289.404 3.675 0 40 CHAB Cc1ccc2c(c1)OC[C@H](c1cc(F)cc(F)c1)N2 96531353 OUZSICJFUOYNIP-CQSZACIVSA-N 261.271 3.819 0 40 CHAB CCN(CC)[C@H](C(=O)c1ccccc1)c1ccccc1 95860048 SIIBSZRDKLJLBE-KRWDZBQOSA-N 267.372 3.952 0 40 CHAB Cc1ccc(Br)c(CN2CCCCC2)c1 90413589 IPUQBEQGJMZJPR-UHFFFAOYSA-N 268.198 3.743 0 40 CHAB O=C(CCCC1CCCCC1)N1CCO[C@@H]2CCC[C@@H]21 53377916 HUEYXZLVSJZDHJ-JKSUJKDBSA-N 279.424 3.517 0 40 CHAB O=C(O)c1ccccc1C(=O)c1cccc2c(F)cccc12 397489 AIHPNMHUYIBOFX-UHFFFAOYSA-N 294.281 3.908 0 40 CHAB CC(=O)Nc1ccc(C=Cc2nc3ccccc3[nH]2)cc1 3845349 ZJIDCAOFDMDDIC-UHFFFAOYSA-N 277.327 3.692 0 40 CHAB COc1ccc2c(c1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 5004473 WEGOBZDECLEAOK-KBAYOESNSA-N 288.387 3.790 0 40 CHAB CCOC(=O)c1ccc(NC(=O)/C=C\c2ccccc2)cc1 17024074 MJJZJQCDMKLAAV-JYRVWZFOSA-N 295.338 3.515 0 40 CHAB O=C1OC(c2ccccc2)=N/C1=C\c1cccc(Cl)c1 4590396 RDRVUTVFMPWSDY-UVTDQMKNSA-N 283.714 3.685 0 40 CHAB CCCC(=O)Nc1ccc(C)c(-c2ccc(C(=O)O)o2)c1 226352390 QHKXZTCGYNVWQM-UHFFFAOYSA-N 287.315 3.692 0 40 CHAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccco1 23731033 LQVALVJVJMDPEB-UHFFFAOYSA-N 270.313 3.655 0 40 CHAB FC(F)(F)Oc1cccc2cc(Br)cnc12 1503891499 QPOLRSDKPOYQJD-UHFFFAOYSA-N 292.054 3.896 0 40 CHAB CC1=CC[C@@H](c2nnco2)[C@@H](c2ccc(F)cc2)C1 209412 WSBISMJIGTYEBD-ZIAGYGMSSA-N 258.296 3.816 0 40 CHAB O=C(NCCc1ccsc1)c1cccc2ccccc12 13698253 LVJGWJOPSKKIMN-UHFFFAOYSA-N 281.380 3.874 0 40 CHAB CCOc1ccc(Cn2c(C)ccc2C)cc1OC 8729279 WIPIJUWZODSPKX-UHFFFAOYSA-N 259.349 3.561 0 40 CHAB CCC[C@@H](C)C(=O)Nc1ccccc1S[C@H](C)C(=O)O 8732900 ARWICHUXJIMQGT-GHMZBOCLSA-N 295.404 3.627 0 40 CHAB Cc1ccccc1OCC(=O)Nc1cccc(Cl)c1 142686 IKVWYARDGKJUHE-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB NC(=O)c1ccnc(-c2ccccc2Oc2ccccc2)c1 32541235 YJVHUXHBCKSCSS-UHFFFAOYSA-N 290.322 3.640 0 40 CHAB c1ccc([C@H]2CCCN(Cc3ccncc3)CC2)cc1 78802060 IKXXGMWCCBIECA-SFHVURJKSA-N 266.388 3.851 0 40 CHAB COc1cc2c(cc1OC)[C@H](CCc1ccccc1)NCC2 2011314 ZSTCPHVBMNDKEB-KRWDZBQOSA-N 297.398 3.523 0 40 CHAB O[C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl 2037296 LQAPSMWXDFJNGU-ZETCQYMHSA-N 259.947 3.744 0 40 CHAB O=c1c(-c2ccccc2)c(O)[nH]c2c(Cl)cccc12 2506099 IUEJWFNDXKJEHC-UHFFFAOYSA-N 271.703 3.554 0 40 CHAB CCOCc1cc(C(=O)Nc2cccc(C)c2)ccc1OC 7756257 ZOHGDJQPBUEBER-UHFFFAOYSA-N 299.370 3.792 0 40 CHAB Cc1cc(C)c(C2=NO[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)c(C)c1 100469727 WKLZNTYMDOPBSE-SMKXDYDZSA-N 255.361 3.761 0 40 CHAB Cc1ccc(S(=O)(=O)Cc2csc(C(C)C)n2)cc1 47635679 ZUBWZEAGQUUKBO-UHFFFAOYSA-N 295.429 3.549 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 8142705 RLVQLZXINSMGIX-WCQYABFASA-N 294.826 3.707 0 40 CHAB O[C@@H](c1cc(F)cc(F)c1)c1ccccc1Br 55203375 OQTYVEHGTKPINS-ZDUSSCGKSA-N 299.114 3.809 0 40 CHAB O=C(Nc1ccccc1F)N1CCCc2ccccc21 9959356 WKNDKBTVNGZASS-UHFFFAOYSA-N 270.307 3.810 0 40 CHAB O=C(CC1CCCC1)Nc1cccc(Br)c1 3287655 BRTIKHXKUDIASV-UHFFFAOYSA-N 282.181 3.968 0 40 CHAB CCCCCC(=O)NC[C@@H](Nc1ccccc1)C(C)C 58637940 AWZKZEAHHAYLDI-MRXNPFEDSA-N 276.424 3.820 0 40 CHAB CC(=O)NCc1ccc(-c2nc(C3CC3)sc2C)s1 28334740 MBTLOQLLFLFTJG-UHFFFAOYSA-N 292.429 3.694 0 40 CHAB Cc1ccc(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)o1 11565818 TXPPPNDPRQETER-SNVBAGLBSA-N 292.718 3.670 0 40 CHAB CCc1ccc(CC)c(C(=O)CSc2nncs2)c1 60385588 NEBURDCKTIWPSZ-UHFFFAOYSA-N 292.429 3.638 0 40 CHAB O=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCC1 48326313 XIZDRBZNHGOHRP-UHFFFAOYSA-N 275.367 3.554 0 40 CHAB c1cnc(Oc2cccc(CNCc3cccs3)c2)nc1 13731573 QKIRCRNCXLMUPP-UHFFFAOYSA-N 297.383 3.620 0 40 CHAB CCc1ccc(O[C@H](C)C(=O)Nc2cc(N)ccc2C)cc1 19736123 JQRNBNSLDNLMCM-CYBMUJFWSA-N 298.386 3.546 0 40 CHAB Cc1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)o1 71831362 QEPOPYSMWYTYDA-CQSZACIVSA-N 298.386 3.566 0 40 CHAB CCCCCn1c(C)c(CC)c(=O)n2c3ccccc3nc12 20798366 TYUBBKLFFOYLFY-UHFFFAOYSA-N 297.402 3.710 0 40 CHAB Clc1ncccc1-c1nc(-c2cccs2)no1 22120308 VVKVBQZSZBIYJN-UHFFFAOYSA-N 263.709 3.514 0 40 CHAB COc1coc(CSc2ccc(Cl)cc2)cc1=O 409421805 ZPLLPJCFDZUWPO-UHFFFAOYSA-N 282.748 3.594 0 40 CHAB CC1(C)C[C@H](NC(=O)C2CCCC2)c2ccccc2O1 121382829 HPNWGBAGJJMLEM-AWEZNQCLSA-N 273.376 3.595 0 40 CHAB CC(C)Cc1nc2ccc(NC(=O)c3ccco3)cc2[nH]1 36359150 YYZBEYZTFHWWSG-UHFFFAOYSA-N 283.331 3.607 0 40 CHAB Cc1ccc(C)c(C(=O)N2c3ccccc3C[C@H]2C)c1 36697893 ROAOYQLBEAVCLO-CQSZACIVSA-N 265.356 3.895 0 40 CHAB NCCSc1ccc(Br)c2ccccc12 72227005 GJZXPOSCXRZQGQ-UHFFFAOYSA-N 282.206 3.653 0 40 CHAB Cc1cc([C@H]2CCCN2Cc2ccccc2)cnc1N(C)C 72218610 PNMZGNULPKHLST-GOSISDBHSA-N 295.430 3.793 0 40 CHAB CC(C)c1nc(CO[C@H]2CCCc3c[nH]nc32)cs1 188923138 GYEKVRLILDGFBO-LBPRGKRZSA-N 277.393 3.584 0 40 CHAB COc1ccc(-c2c(C(C)=O)c(C)[nH]c(=S)c2C#N)cc1 138267761 IFGMSNUEXLPPLW-UHFFFAOYSA-N 298.367 3.802 0 40 CHAB CC[C@H](C)NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 44847895 SLUUZVZJUXVVRO-GUYCJALGSA-N 285.387 3.912 0 40 CHAB CC(C)CO[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225092803 CTEMAOOVFOCRPT-GFCCVEGCSA-N 291.174 3.662 0 40 CHAB CCOc1c(C)cc(NC(=O)[C@@](C)(CC)OCC)cc1C 225686400 BMBIJNIMSCTCDJ-QGZVFWFLSA-N 293.407 3.846 0 40 CHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnco1 169959066 LQWRLXKPAVQYAT-UHFFFAOYSA-N 290.628 3.599 0 40 CHAB CNCCCNc1ccnc2c(Cl)cc(Cl)cc12 222680690 RSIUKBQQRJVJIR-UHFFFAOYSA-N 284.190 3.563 0 40 CHAB CCCCCOC(=O)c1snnc1-c1cccs1 223845228 IXAJNMBAPJPHLZ-UHFFFAOYSA-N 282.390 3.614 0 40 CHAB O=Cc1ncc(-c2ccc(C(F)(F)F)cc2)s1 199792617 UNGWYYVHAPJXGK-UHFFFAOYSA-N 257.236 3.641 0 40 CHAB CC[C@H](C)n1nccc1CNc1cn(C(C)C)nc1C 256053569 RZEGRBLYTULOPN-LBPRGKRZSA-N 275.400 3.552 0 40 CHAB O=C(Nc1ccc2ccccc2n1)c1ccccc1F 39976166 VJHKZRZZLUEYCR-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@H]1C[C@@H]2C=C[C@H]1C2 5048738 KXSCLZWHRGQIQQ-NRUUGDAUSA-N 292.176 3.600 0 40 CHAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cc1 13596370 VIGNRYNPFGMKMP-BRADTZPFSA-N 293.366 3.686 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(OC)c1 13994747 LAWWXRFFQNRORJ-MRXNPFEDSA-N 299.370 3.800 0 40 CHAB CN(C)C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1 3172191 ANDVCSYZBRZFJU-HIFRSBDPSA-N 295.810 3.617 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Cl)nc2)c(C)c1 3549358 PXDVYBSQJYNDBS-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CN(C)c1ccc(C(=O)Nc2ccccc2Cl)cc1 6832176 CFBBHSDZYBLWHC-UHFFFAOYSA-N 274.751 3.658 0 40 CHAB CCCC(=O)Nc1c(C)nc(Oc2ccccc2)nc1C 206720788 ZWUAMIYPCISWGG-UHFFFAOYSA-N 285.347 3.624 0 40 CHAB CCOc1ccc(C(=O)c2ccc(C)cc2C)cc1 36940993 AQLGSOIPGUFBBE-UHFFFAOYSA-N 254.329 3.933 0 40 CHAB O=C(Nc1ccc(F)cc1Cl)NC1CCCC1 40097509 AHQDDIZARGLXDG-UHFFFAOYSA-N 256.708 3.543 0 40 CHAB COc1ccc([C@@H]2CCCN2c2cccc(F)n2)cc1 40158428 DDAPRNIFLPHKBF-AWEZNQCLSA-N 272.323 3.571 0 40 CHAB CC(C)c1noc(CN(C)[C@H](C)c2ccc(F)cc2)n1 40489644 HLONPDKWWHCJSF-LLVKDONJSA-N 277.343 3.525 0 40 CHAB CC(C)(C)c1nc(CN2[C@H]3CC[C@H]2c2ccccc23)no1 101220648 VQGSZGOBWJEVBB-KBPBESRZSA-N 283.375 3.759 0 40 CHAB COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1 411545 NYOWUUWHYQHYOZ-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB Cc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)o1 484054 WUMVQFQVGDFJRN-UHFFFAOYSA-N 292.338 3.695 0 40 CHAB CCOc1ccc2[nH]c(COc3ccccc3OC)nc2c1 33327173 ZAHTYJDSZBEOCP-UHFFFAOYSA-N 298.342 3.549 0 40 CHAB CC(C)c1ccc(-c2csc3nc[nH]c(=O)c23)cc1 87458 JUPNQALMIMXJJJ-UHFFFAOYSA-N 270.357 3.775 0 40 CHAB CCCn1cnc2scc(-c3ccccc3)c2c1=O 144768 UWWUKESWLNJBAL-UHFFFAOYSA-N 270.357 3.535 0 40 CHAB COc1ccc(-c2ccc3ccccc3n2)cc1OC 161491 ISKBHMWSKJQZCB-UHFFFAOYSA-N 265.312 3.919 0 40 CHAB c1ccc([C@H]2C[C@@H]2c2nc3c4ccccc4ncn3n2)cc1 2806338 QXEYATMVHAUKCN-CABCVRRESA-N 286.338 3.549 0 40 CHAB O=C(COc1ccccc1)Nc1ccccc1C1CC1 4741141 ZMVLYBPOZSCRBM-UHFFFAOYSA-N 267.328 3.582 0 40 CHAB Cc1ccc(NC(=O)Cn2ccc3ccccc32)c(C)c1 6626900 VHMCPWZZMGUWKY-UHFFFAOYSA-N 278.355 3.897 0 40 CHAB CC[C@H](C)NCc1ccc(-c2ccc([C@H](C)O)cc2)o1 7540988 JKUGUMRUYXRVFE-STQMWFEESA-N 273.376 3.888 0 40 CHAB O=C1[C@H]2CC[C@@H](C2)[C@H]1Sc1nc2ccccc2s1 100970804 NNTCZFYTRJNYDB-MWODSPESSA-N 275.398 3.756 0 40 CHAB CCc1cccc(CC)c1NC(=O)[C@@H]1Cc2ccccc2O1 9514783 IMSIEOMOUMFWCC-KRWDZBQOSA-N 295.382 3.754 0 40 CHAB CSc1cccc(NC(=O)c2cccc(N(C)C)c2)c1 8709131 PRKUZKFEJUPXQP-UHFFFAOYSA-N 286.400 3.727 0 40 CHAB CCCOc1cc(OCCC)c2c(C)cc(=O)oc2c1 1797592 XBGADVHHQLNYDV-UHFFFAOYSA-N 276.332 3.679 0 40 CHAB biogenic S=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100999043 LXBJMJNIMDMNNW-GIPNMCIBSA-N 280.824 3.815 0 40 CHAB CCN(CC)C(=O)C[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1 2149935 HEUJCGMLLZGMIQ-HUUCEWRRSA-N 283.456 3.722 0 40 CHAB biogenic CCOc1ccccc1NC(=O)c1nc2ccccc2s1 3329270 JRJDNUCBSGZGCE-UHFFFAOYSA-N 298.367 3.947 0 40 CHAB Cc1ccc(CC(=O)N[C@]2(C)CCCc3ccccc32)cc1 58330072 WLDWWIZLLPNATP-HXUWFJFHSA-N 293.410 3.905 0 40 CHAB O=C(NCCCCc1ccccc1)Nc1ccccc1F 20522035 NMTJRIIAQIEBOD-UHFFFAOYSA-N 286.350 3.970 0 40 CHAB O=C(c1ccc(-c2nc3ccccc3o2)cc1)N1CCCC1 59842894 MCZBKOVRJQWOGV-UHFFFAOYSA-N 292.338 3.731 0 40 CHAB COc1ccccc1C(=O)c1cccc(CN2CCCC2)c1 2515049 JBCGRPAJWYPDDZ-UHFFFAOYSA-N 295.382 3.522 0 40 CHAB COc1ccc(C(=O)c2cccc(CN3CCCC3)c2)cc1 2515051 MRRDXGCFSJVULR-UHFFFAOYSA-N 295.382 3.522 0 40 CHAB Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2647757 LUBNVJCODFPUKS-UHFFFAOYSA-N 269.735 3.775 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 3454990 MAPCDSWAEFTVIT-WBMJQRKESA-N 251.329 3.948 0 40 CHAB aggregator CO[C@@H]1C2=C(CCCC2)C(=O)N1[C@@H]1CCCc2ccccc21 4600221 ZWFZGGCYVMIVTJ-IEBWSBKVSA-N 297.398 3.749 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6638622 DHZWDLFBFYSLKL-VXNVDRBHSA-N 294.326 3.683 0 40 CHAB CCC(C)(C)NC(=O)c1cc(Cl)ccc1Cl 4739961 JPICRRKXIZXBIV-UHFFFAOYSA-N 260.164 3.912 0 40 CHAB O=C1OC(c2ccccc2)=N/C1=C/Nc1ccccc1Cl 4821898 VCKFSOVQJBPENC-GXDHUFHOSA-N 298.729 3.597 0 40 CHAB COc1ccc(C(=O)O)cc1-c1cccc([C@H](C)N(C)C)c1 67774291 HCKOPTUYKXZIJM-LBPRGKRZSA-N 299.370 3.683 0 40 CHAB Cc1cc2nc(N(C)C3CCCCC3)c3ccccc3n2n1 7777112 FZQUIAMVELOVCZ-UHFFFAOYSA-N 294.402 3.960 0 40 CHAB CCCN1C(=O)Oc2ccccc2[C@@H]1c1ccc(O)cc1 16623591 ZKVLLBAZNCBVKX-INIZCTEOSA-N 283.327 3.706 0 40 CHAB Cc1noc([C@H](C)Sc2cc(F)ccc2F)n1 69351031 JOCRISGEDIKGQO-LURJTMIESA-N 256.277 3.510 0 40 CHAB Cc1ccc(-n2ncc3c(NCC(C)C)ncnc32)cc1C 17120386 OKTGKAQKVUUGEZ-UHFFFAOYSA-N 295.390 3.500 0 40 CHAB Cc1[nH]ccc1C(=O)NC1CC(C)(C)CC(C)(C)C1 95992135 XFGBCGWNHCUNMO-UHFFFAOYSA-N 262.397 3.658 0 40 CHAB C[C@@H](NC(=O)Cc1ccccc1)c1ccc2c(c1)CCCC2 28671663 PRMXOCPVKMCNTB-OAHLLOKOSA-N 293.410 3.985 0 40 CHAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1C 20025559 IAHTVBYIRBAFIB-UHFFFAOYSA-N 295.260 3.673 0 40 CHAB CCCCCN1C(=O)S/C(=C\c2ccccc2O)C1=O 409208863 CRKINMOSMCSQJI-RAXLEYEMSA-N 291.372 3.619 0 40 CHAB Cc1cc(C)c2oc(=O)cc(CN3CCC(C)CC3)c2c1 2196553 FRTLAQPYRXAGJC-UHFFFAOYSA-N 285.387 3.642 0 40 CHAB biogenic CCOP(=O)(OCC)C(=O)c1ccc(Cl)cc1 3847133 VDKATAVRWLSKCS-UHFFFAOYSA-N 276.656 3.746 0 40 CHAB biogenic CC(C)c1ccc2oc(-c3cncc(N)c3)nc2c1 30714634 SSLORVVIIZGDSD-UHFFFAOYSA-N 253.305 3.595 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)Nc1cc(Cl)ccc1O 75284886 ITWGVRZEFYZVOZ-FPYGCLRLSA-N 291.709 3.837 0 40 CHAB Clc1nc(C2CCOCC2)nc2c1oc1ccccc12 217684899 QWDQFPRQEMUWSZ-UHFFFAOYSA-N 288.734 3.923 0 40 CHAB Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 37502188 CMFQYFKDPZLFAO-UHFFFAOYSA-N 260.042 3.517 0 40 CHAB O=C(Cc1cccc2cccnc12)Nc1ccc(F)cc1 32874037 MZSUPHUIDGDNQE-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB Cc1ccccc1C[C@H](Sc1ccccc1)C(=O)O 225016417 RHFHCYASKFJHAA-HNNXBMFYSA-N 272.369 3.783 0 40 CHAB Cc1ccc(NC(=O)N2CC[C@H]2c2ccccc2)cc1 47697682 OQCMULCBROKYEC-INIZCTEOSA-N 266.344 3.974 0 40 CHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(C)c2)c1 224046480 ARHAEWHSMDETRL-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB COc1ccccc1NC(=O)NCCCc1cccc(C)c1 96706600 SHOUGHZRWNPZKO-UHFFFAOYSA-N 298.386 3.758 0 40 CHAB Cc1ccc2c(c1)C1(CC2)CCN(Cc2nccs2)CC1 96052543 XOMCAEKFCADYOY-UHFFFAOYSA-N 298.455 3.932 0 40 CHAB COc1ccc(Cl)cc1C(=O)C(F)(F)C(F)(F)F 95916325 BPUVJZDXFKCDKZ-UHFFFAOYSA-N 288.599 3.729 0 40 CHAB O=C(COc1ccccc1)c1ccccc1OC(F)F 575242924 MJXKNMUOALWNKB-UHFFFAOYSA-N 278.254 3.550 0 40 CHAB O=C(CC1=CCCCC1)NCC1(c2ccncc2)CCCC1 95453016 FWRQENYGKWFZHB-UHFFFAOYSA-N 298.430 3.900 0 40 CHAB CCCCOc1ccc(C(=O)Cc2ccccc2)c(O)c1 5420498 NIZHUKGWSRTQFZ-UHFFFAOYSA-N 284.355 3.997 0 40 CHAB N=C1NC(=O)/C(=C/c2ccc(Oc3ccccc3)cc2)S1 5006738 XQQJUMHWNSXXKJ-UVTDQMKNSA-N 296.351 3.618 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709304 WBQSAQLUZFLXIW-ZIAGYGMSSA-N 285.387 3.912 0 40 CHAB O=C(Nc1ccccn1)N[C@H](c1ccccc1)C1CCC1 104767643 WWSMQXIAWPHDLH-MRXNPFEDSA-N 281.359 3.745 0 40 CHAB C[C@]12C=C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 584577542 RZFGPAMUAXASRE-XCBYOTJYSA-N 290.447 3.527 0 40 CHAB COc1ccc(C[C@@H](C)N[C@H](C)c2ccccc2)cc1 34265338 OMJHYGQXULQISO-HUUCEWRRSA-N 269.388 3.977 0 40 CHAB in-vitro O=C(N[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccccc1 5124739 VHFBASFFPCKHDU-VNQPRFMTSA-N 257.377 3.775 0 40 CHAB O=C(NC1CCCC1)c1occc1-c1ccccc1 22690285 RDULXQGNWKAIAA-UHFFFAOYSA-N 255.317 3.619 0 40 CHAB Cc1ccc(CNC(=O)Nc2cn(C)c3ccccc23)cc1 5265704 NSNWPVBPTXAXAV-UHFFFAOYSA-N 293.370 3.808 0 40 CHAB Cc1ccc(C(=O)COCc2ccccc2)c(C)c1 50159249 APFLQUHULQEBRU-UHFFFAOYSA-N 254.329 3.703 0 40 CHAB CC(C)CC(=O)N1CCC(CCc2ccccc2)CC1 40024207 KCMZTRDQLPGTIM-UHFFFAOYSA-N 273.420 3.904 0 40 CHAB CCOc1ccc(C(=O)N2CCSc3ccccc32)cc1 41155172 JOCSCZBDXQDPOT-UHFFFAOYSA-N 299.395 3.838 0 40 CHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCC1 22020995 LGSGRXDBKULFRT-UHFFFAOYSA-N 287.359 3.857 0 40 CHAB Cc1cc(=O)oc2cc(OCc3ccccc3F)ccc12 38262 UAOGUGZBMPTXGO-UHFFFAOYSA-N 284.286 3.820 0 40 CHAB biogenic,in-vitro COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 188391 FACULVIHLNBDEG-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB Cc1cc(C(F)(F)Cl)n2ncc(-c3ccccc3)c2n1 342322 GNXKPZYCJKSUEV-UHFFFAOYSA-N 293.704 3.993 0 40 CHAB CC(=O)c1sc(=S)n(Cc2ccccc2)c1C 551736 WWVDQERBYDRWQU-UHFFFAOYSA-N 263.387 3.838 0 40 CHAB CC[C@@H](C)c1ccccc1OC[C@H](C)OC(C)=O 1583909 SVUKCOVWKNYCEL-NEPJUHHUSA-N 250.338 3.531 0 40 CHAB O=C(CCc1cccc(F)c1)c1cc(F)cc(F)c1 2517361 PITSGHDZHAUQIL-UHFFFAOYSA-N 264.246 3.919 0 40 CHAB COc1cccc(NC(=S)Nc2cccnc2Cl)c1 2658405 VYVDPWOIKSHYIG-UHFFFAOYSA-N 293.779 3.553 0 40 CHAB C[C@@H](NC(=O)CSc1ccccc1)c1ccc(F)cc1 3383315 YLFDRWOXJZCMDW-GFCCVEGCSA-N 289.375 3.795 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Cl)c1 3431078 NDCNCKJSWMNUAE-ZWNOBZJWSA-N 251.757 3.649 0 40 CHAB Cc1ccc(F)cc1NC(=O)/C=C/c1ccc(F)cc1 3566411 OJNBOAGLGKCUHT-WEVVVXLNSA-N 273.282 3.925 0 40 CHAB CC(=O)c1ccccc1NC(=O)Cc1ccccc1Cl 6832400 MIIJTZWQDQFYPX-UHFFFAOYSA-N 287.746 3.724 0 40 CHAB CCc1ccccc1NC(=O)Cc1noc2ccc(C)cc12 6839410 HHMTZKUAPMGGQV-UHFFFAOYSA-N 294.354 3.880 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC(C(C)C)C(C)C 8496292 OCNBLFIGQDIVKF-MRXNPFEDSA-N 291.435 3.949 0 40 CHAB O=C(CSc1ccccc1)Nc1cccc2ncccc12 9478654 TXDBOOZBKOSVCV-UHFFFAOYSA-N 294.379 3.966 0 40 CHAB CCC(CC)(Cc1nc2ccccc2s1)C(=O)O 9690948 KXUPBZWVXOBHOJ-UHFFFAOYSA-N 263.362 3.730 0 40 CHAB C[C@H]1CCCCN1c1nc(Cl)nc2ccccc12 11756895 JQLXXFZWEZHAIS-JTQLQIEISA-N 261.756 3.662 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 13057155 ZWQGFTLKHGUTAB-TXEJJXNPSA-N 294.826 3.565 0 40 CHAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@H](c1cccnc1)N2 13132417 SIYCNGDFELIGGB-GOSISDBHSA-N 290.370 3.843 0 40 CHAB CN(C(=S)Nc1ccc(F)cc1)c1ccccc1 16211761 VTBDCFPNDKLWGI-UHFFFAOYSA-N 260.337 3.659 0 40 CHAB FC(F)(Br)c1nc2ccccc2s1 21981629 QCBOHSNZPINPFB-UHFFFAOYSA-N 264.094 3.741 0 40 CHAB C[C@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 28494426 BAISNQHUIBHDGU-ZDUSSCGKSA-N 270.376 3.502 0 40 CHAB CCOc1cccc(CNC(=S)Nc2ccccc2)c1 30847192 GNZFGTALHOTUCM-UHFFFAOYSA-N 286.400 3.572 0 40 CHAB CCCN(CCC)c1ccc(N)cc1C(F)(F)F 37754363 UWBKJAGQRJIEBQ-UHFFFAOYSA-N 260.303 3.914 0 40 CHAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1 38753817 UNWRSZWBCIFEOK-NRUITVPNSA-N 295.382 3.894 0 40 CHAB O=Cc1ccc(OCC2CC2)c(-c2ccccc2)c1 42784094 MGLRINOGYAYMPP-UHFFFAOYSA-N 252.313 3.955 0 40 CHAB O=C(O)CCCCCC(=O)c1ccc(F)cc1Cl 43214157 LSEMNWKDHWBIOI-UHFFFAOYSA-N 272.703 3.697 0 40 CHAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(C)cc1 44905165 DQNYWTKXSKGUKT-LHNRBYRGSA-N 295.382 3.894 0 40 CHAB Clc1ccc(-c2ccc(Br)cn2)cn1 45028453 UHVVHYCXBVCNIK-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB CCc1ccc(CCC(=O)N[C@@H]2CCc3ccccc32)cc1 48325663 YKOJVKHBDVOPLH-LJQANCHMSA-N 293.410 3.985 0 40 CHAB Cc1sc(-c2cnccn2)nc1-c1ccc(F)cc1 48640724 DEMSAHVNNSHFOI-UHFFFAOYSA-N 271.320 3.715 0 40 CHAB Cc1ccc([C@H](C)N(C)C(=O)Nc2ccncc2)s1 49338059 BRBCDZOFILQIHL-NSHDSACASA-N 275.377 3.676 0 40 CHAB Cc1nc(NC(=O)c2sccc2C2CC2)sc1C 49376834 SRMVIEVXCYYYBA-UHFFFAOYSA-N 278.402 3.951 0 40 CHAB Nc1nc2c(Cl)ccc(C(F)(F)F)c2s1 57327630 CSVGDQNRFGZMMI-UHFFFAOYSA-N 252.648 3.551 0 40 CHAB CCCCNc1ncccc1[C@H]1CCCN1CCC 72213600 KFHDIJORTGABBT-OAHLLOKOSA-N 261.413 3.841 0 40 CHAB CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359279 QQVMGTAWWUXOHI-CYBMUJFWSA-N 287.794 3.606 0 40 CHAB COc1ncccc1-c1nc(C)ncc1-c1ccsc1 72398196 NZTFDKMFUGPRDF-UHFFFAOYSA-N 283.356 3.584 0 40 CHAB CN(C)C(=O)c1ccc(CSc2ccccc2)cc1 72644972 PJTFHNTZDPZJHL-UHFFFAOYSA-N 271.385 3.681 0 40 CHAB C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)NC1CC1 75134250 HQIZOKSHBJCOCX-AWEZNQCLSA-N 295.386 3.517 0 40 CHAB Cc1cc(C)c(NC(=O)NCc2ccoc2C)c(C)c1 89568812 JSKGLLJTTHBDSB-UHFFFAOYSA-N 272.348 3.835 0 40 CHAB CC(C)(C)Oc1c(F)cc(Br)cc1F 95915382 WVILRHQREWIAON-UHFFFAOYSA-N 265.097 3.905 0 40 CHAB CCc1ccc(N2Cc3nc4ccccc4cc3C2=O)cc1 96319268 JYSIWWXDZPSECH-UHFFFAOYSA-N 288.350 3.958 0 40 CHAB c1cncc(CN2CCCCC[C@H]2c2ccncc2)c1 97000858 HMPDMIAXXZMTHT-KRWDZBQOSA-N 267.376 3.594 0 40 CHAB C[C@@H]1CC=CC[C@@H]1COC(=O)CSC(C)(C)C 97044006 SIIRQAUZUOXXTO-VXGBXAGGSA-N 256.411 3.664 0 40 CHAB c1ccc2oc(NCc3cnc(C4CC4)s3)nc2c1 97231820 PKCMVRKWIVFFDW-UHFFFAOYSA-N 271.345 3.774 0 40 CHAB Cc1cc(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)no1 100616982 XYHVTTSNAVPQMC-KDFVVIITSA-N 288.391 3.918 0 40 CHAB COc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101013812 WWVGSAHKMLYXBR-JXFSHQFZSA-N 288.391 3.641 0 40 CHAB COC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 223699559 NRGKZMWLPUMLMG-LBPRGKRZSA-N 257.333 3.501 0 40 CHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCC1=CCCCC1 224290124 OWYUKWIAEJKUJQ-GFCCVEGCSA-N 293.794 3.724 0 40 CHAB Cc1cccc(O[C@H](Cc2ccc(C)c(C)c2)C(=O)O)c1 225033226 NYAMODOQIXFHAL-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CCOC(=O)c1cccc(COc2ccc(C)cc2)c1 225327348 YOPSWTQBUSFPNF-UHFFFAOYSA-N 270.328 3.751 0 40 CHAB CCc1cc(N)cc(Br)c1NC1CCCC1 226317155 GWKFIHJWLHMSFT-UHFFFAOYSA-N 283.213 3.948 0 40 CHAB c1cn2cnc([C@@H]3CCN(C4CCCCC4)C3)c2s1 257241829 HZTZCLGJXJJGNA-GFCCVEGCSA-N 275.421 3.518 0 40 CHAB CCOP(=O)(OCC)O[C@@H](c1ccncc1)C(F)F 306145850 SJKFVDDOKMOWTO-JTQLQIEISA-N 295.222 3.586 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2ccccc2)cc1C 408680892 SLRDKZVEQZEAGX-MRXNPFEDSA-N 297.398 3.729 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)o1)c1ccsc1 575609496 CPRYNFAHTUCNNM-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB O=C(O)c1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 1776010725 JHXDTDCQPRNBFU-UHFFFAOYSA-N 289.036 3.633 0 40 CHAB CC[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 311526 ZEWGFOPFDZOHAS-OAHLLOKOSA-N 257.308 3.958 0 40 CHAB Cc1cccc(COc2cccc(-c3noc(C)n3)c2)c1 37547628 SPTBEDWYVMJZKU-UHFFFAOYSA-N 280.327 3.932 0 40 CHAB Cc1cccc(NC(=S)NCCCc2ccccc2)c1 6333787 QHUVUWUKHARHMR-UHFFFAOYSA-N 284.428 3.914 0 40 CHAB Oc1cccc(CNC(=S)Nc2cccc(Cl)c2)c1 54989605 FUHUOFKIHAIFAM-UHFFFAOYSA-N 292.791 3.532 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)c(C)c1 59351599 AGTDDKNOJBFIPJ-CVEARBPZSA-N 297.398 3.948 0 40 CHAB O=C(Nc1cccnc1)c1cc(F)c(Cl)cc1Cl 12586935 RHSXHUIQEHINBO-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB Cc1cc(C)cc(NC(=O)CN2c3ccccc3C[C@H]2C)c1 3290715 YVGONKWIJAJEDE-OAHLLOKOSA-N 294.398 3.693 0 40 CHAB CCOc1ccc(N[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 57634863 CZSBSTTWJATWJS-CQSZACIVSA-N 292.423 3.531 0 40 CHAB O=C1c2ccc(Cl)cc2CCc2ccc(Cl)nc21 22056997 HGCFDJOSJCJZAR-UHFFFAOYSA-N 278.138 3.718 0 40 CHAB in-vitro Cc1cc(NC(C)C)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798926 MDLKWEWYJOZBMB-UHFFFAOYSA-N 298.365 3.973 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)Nc1cccc2ccccc12 11008796 XJWMYIMWKWDMGI-UHFFFAOYSA-N 294.358 3.834 0 40 CHAB CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1 3337087 JOFBAIYXQVOHDR-GWCFXTLKSA-N 286.400 3.967 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)CCc1ccco1 45905214 NFKALVAXHYFFLR-UHFFFAOYSA-N 283.780 3.586 0 40 CHAB O=C(c1ccc(CN2CCSCC2)cc1)C1CCCC1 2514818 HLCYAEQJQANUBC-UHFFFAOYSA-N 289.444 3.608 0 40 CHAB NC(=O)c1cccc(-c2nc(-c3ccccc3F)cs2)c1 48369039 OYEMPCSPSQNNQN-UHFFFAOYSA-N 298.342 3.715 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1cccc(Cl)c1 3480031 LBLMRFGAFGIQKP-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 5529900 NVKAWKQGWWIWPM-HXUMPVJBSA-N 290.447 3.959 0 40 CHAB biogenic,in-vitro Cc1ccc([C@H](CN)c2c[nH]c3ccccc23)cc1 9280356 XOLSJOJSKGCNDN-HNNXBMFYSA-N 250.345 3.567 0 40 CHAB COc1ccccc1CNCc1ccccc1Cl 5911586 RYMKQWGZWMFKJW-UHFFFAOYSA-N 261.752 3.638 0 40 CHAB O=C1c2ccccc2N[C@@H](c2ccco2)N1Cc1ccco1 7112511 QNELDBDBXDWGEQ-MRXNPFEDSA-N 294.310 3.639 0 40 CHAB c1ccc(-c2csc3ncnc(-n4ccnc4)c23)cc1 9338088 NPBTZGFTLYEMKH-UHFFFAOYSA-N 278.340 3.544 0 40 CHAB C[C@@H](c1ccc(-c2cnn3cccnc23)cc1)N1CCCC1 67676928 MPXSHSOIZGWURD-AWEZNQCLSA-N 292.386 3.553 0 40 CHAB Cc1cc([C@H](C)NC(=O)c2nccc3ccccc23)c(C)o1 60322212 AINMIYMVIHWQRY-LBPRGKRZSA-N 294.354 3.936 0 40 CHAB O=c1[nH]c2ccc(-c3csc(-c4ccccc4)n3)cc2[nH]1 9453373 NPUXSWOULHBZQC-UHFFFAOYSA-N 293.351 3.647 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccc(C)c(C)c2)s1 7995363 CDHFSWGTRMETHB-UHFFFAOYSA-N 260.362 3.629 0 40 CHAB Clc1ccc(-c2nc(COc3ccccc3)n[nH]2)cc1 8048393 WGFRWWFWENXEGL-UHFFFAOYSA-N 285.734 3.704 0 40 CHAB C[C@@H](NC(=O)c1cccc(Br)c1)c1ccco1 8359823 JKMQAPMFLYQEFN-SECBINFHSA-N 294.148 3.533 0 40 CHAB Cc1ccc(NC(=O)Nc2c(C(F)F)n[nH]c2C)s1 95455777 SEQXUWVPOBOIIC-UHFFFAOYSA-N 286.307 3.670 0 40 CHAB Cc1ccc(-c2csc3nc4n(c(=O)c23)CCCC4)cc1 27531114 PHYXNAZZINABRZ-UHFFFAOYSA-N 296.395 3.770 0 40 CHAB COc1cccc(NC(=S)Nc2ccc(F)c(C)c2)c1 71326113 BCLQFPLJTPSTDW-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(F)cc1 39516487 CHJCGYUYTVVCJN-GFCCVEGCSA-N 289.325 3.775 0 40 CHAB O=C(COc1ccccc1)c1ccc(Br)s1 35183925 XZVHQKCWWNKFRA-UHFFFAOYSA-N 297.173 3.772 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 40160050 AGBTYCCEIOGREX-AUTRQRHGSA-N 271.282 3.539 0 40 CHAB COc1cccc(C(=O)c2ccc(Cl)c(C)c2)c1 95916511 SZFQIKMSIONIRM-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB O=C(/C=C/c1ccco1)NCc1ccc(-c2ccoc2)cc1 390832047 WTZROWBQLFHYLS-BQYQJAHWSA-N 293.322 3.869 0 40 CHAB COc1cc(F)c([C@@H](C)Nc2cccc(CO)c2)c(F)c1 89904496 DIHUUIPJYFJWNS-SNVBAGLBSA-N 293.313 3.639 0 40 CHAB COc1ccc(SCC(=O)Nc2ccc(F)cc2)cc1 5661652 IDZFWUZBFMAXCL-UHFFFAOYSA-N 291.347 3.565 0 40 CHAB O=C(Nc1ccccn1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 13646351 RQAMBFSAWBKMLZ-RJAIZQQDSA-N 290.794 3.598 0 40 CHAB C[C@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1 15744782 HRWMLGDNGYEPLZ-GFCCVEGCSA-N 273.763 3.874 0 40 CHAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1F 16598435 WGHKCHAMARCAKP-UHFFFAOYSA-N 291.347 3.809 0 40 CHAB c1ccc(CSc2nc(C3CCCC3)n[nH]2)cc1 12103374 UKZYNJAZIXUCEY-UHFFFAOYSA-N 259.378 3.755 0 40 CHAB Oc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 14103568 DXKHZCDTFUMXPK-UHFFFAOYSA-N 269.325 3.888 0 40 CHAB CCN(Cc1ccncc1)C(=O)Nc1ccc(C)c(F)c1 20514352 ZNWYMNOWTWXZDI-UHFFFAOYSA-N 287.338 3.583 0 40 CHAB O=C(Nc1ccc(SC(F)(F)F)cc1)C(F)(F)F 1470900 AURWBXMETZBYKJ-UHFFFAOYSA-N 289.200 3.799 0 40 CHAB O=C(NCCCc1ccccc1)Nc1c[nH]c2ccccc12 5299902 UYHAXDSYXCVMDD-UHFFFAOYSA-N 293.370 3.922 0 40 CHAB Cc1cccc(NC(=O)c2cc3nc(C)ccc3o2)c1 8793830 GYZQSIPHSBACNK-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(F)c(F)c2)o1 40086612 LIGBNVXIVHDVQG-LLVKDONJSA-N 293.313 3.676 0 40 CHAB COc1ccccc1CNC(=O)Nc1ccc2c(c1)CCC2 20274867 CVAMGNFWENTWFS-UHFFFAOYSA-N 296.370 3.506 0 40 CHAB Cc1ccc(NC(=O)c2ccccc2Cl)c(O)c1 383777 JVKXRVPMRQGOJL-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 365124 MJRWCGZGZPZAJF-CQSZACIVSA-N 283.371 3.963 0 40 CHAB C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 30111 ICURDVMEGIJABN-SECBINFHSA-N 272.175 3.866 0 40 CHAB Cc1cccc2nc(-c3cccc(NC(=O)C(C)C)c3)cn12 203126 ACIQAFUWQLLBBJ-UHFFFAOYSA-N 293.370 3.904 0 40 CHAB CCc1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 429499 FDFXWBCAJTWOLP-UHFFFAOYSA-N 284.359 3.649 0 40 CHAB c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 440445 VZHGZKUEVAANEJ-UHFFFAOYSA-N 253.330 3.949 0 40 CHAB CCOC(=O)COc1ccc(Cl)cc1[C@@H](C)CC 2036449 ISHNFHDDYLGGPR-JTQLQIEISA-N 270.756 3.795 0 40 CHAB Cc1cc(C)c2c(CN3CCCC[C@H]3C)cc(=O)oc2c1 2365317 FOXGHKCOGKUNIR-CQSZACIVSA-N 285.387 3.784 0 40 CHAB biogenic Cc1cc(C)cc(C(=O)c2ccccc2CN2CC=CC2)c1 2515897 UGTKUEYPQQCFIU-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB O=C1CSCN1c1ccc(Oc2ccccc2)cc1 3016161 YOIHADJWWIAWGL-UHFFFAOYSA-N 271.341 3.516 0 40 CHAB CC(C)(C)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 3045112 YWWQORGSKBXWFB-UHFFFAOYSA-N 295.795 3.741 0 40 CHAB CCOC(=O)c1cc(-c2ccco2)nn1-c1ccc(C)cc1 3249686 VHONPWKOPAQFJN-UHFFFAOYSA-N 296.326 3.617 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)c1 3479702 XEOCGNAKGVMPQB-IZZDOVSWSA-N 295.338 3.550 0 40 CHAB O=C(NCc1ccccc1)C1(c2cccc(F)c2)CCCC1 3486917 VLLXMLIOFJJRER-UHFFFAOYSA-N 297.373 3.954 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN1C[C@H]2CCCC[C@@H]2[C@@H]31 4026530 HKCFIODYAGNXJQ-UHYGZKCKSA-N 296.414 3.896 0 40 CHAB CC(C)CCNC(=O)/C=C/c1ccc(Cl)cc1 4696219 JDXZHGDPKKZSNM-VMPITWQZSA-N 251.757 3.516 0 40 CHAB Cc1nc2cc(NC(=O)Nc3ccc(F)cc3)ccc2n1C 4741716 JHLMCNSABLWPKH-UHFFFAOYSA-N 298.321 3.665 0 40 CHAB O[C@H](CCNc1ccccc1)c1ccc(Cl)cc1 5338425 ONQCONNPKGVZDU-OAHLLOKOSA-N 261.752 3.876 0 40 CHAB CCCC[C@]1(c2ccccc2)NC(=O)c2ccccc2O1 5421058 PYTMYMQEEXDXMA-SFHVURJKSA-N 281.355 3.852 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 6284291 ADTFRJIMPWARQA-GFCCVEGCSA-N 295.810 3.946 0 40 CHAB COc1ccc([C@H](C)CNCc2ccccc2)cc1 6491837 JUMSAJVIOJPECG-CQSZACIVSA-N 255.361 3.589 0 40 CHAB CNc1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1 6671405 HZNUQRZZAZNQDW-UHFFFAOYSA-N 287.388 3.911 0 40 CHAB CC(=O)c1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1 8473652 CLRKRHXGHYMGFX-UHFFFAOYSA-N 288.730 3.691 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 8778482 PIPFBDBHSVCKBB-BXUZGUMPSA-N 291.354 3.824 0 40 CHAB CC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CC1 9834725 BUPLUTZSIACKFO-UHFFFAOYSA-N 279.339 3.560 0 40 CHAB CCNC(=O)N1c2c(OCC)cccc2C(C)=CC1(C)C 10157710 KGFBAEUOUOGYGA-UHFFFAOYSA-N 288.391 3.817 0 40 CHAB Oc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)c(O)c1 11865161 LPHHFJGUUOZXBF-UHFFFAOYSA-N 286.718 3.808 0 40 CHAB COc1ccc(-c2cc([C@@H]3CCCCCN3)on2)cc1 12133667 ISCDBWHLZWAWPF-AWEZNQCLSA-N 272.348 3.555 0 40 CHAB Cc1ccc([C@@H](NC(=O)Nc2cc(C)on2)C2CC2)cc1 12933173 DXXBWGASDXYKSP-OAHLLOKOSA-N 285.347 3.564 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(Cl)[nH]1 13007508 TYTBWMXQWCZFNE-APPZFPTMSA-N 275.179 3.630 0 40 CHAB CC[C@@H]1CCCCN1C(=O)Nc1cc(OC)ccc1OC 13320379 FJPDGYOQBLRWTB-GFCCVEGCSA-N 292.379 3.500 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2c(F)cccc2Cl)C1 13331805 OZLWDXMRNXZBLM-NXEZZACHSA-N 269.747 3.597 0 40 CHAB Cc1ccc(NCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 19926632 WJSMUVRDMXUGLS-UHFFFAOYSA-N 299.399 3.522 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(Cl)cc1 24929232 ZFOCBSCTYJKDMQ-IUODEOHRSA-N 294.826 3.760 0 40 CHAB O=C(NCc1cccnc1)c1sccc1-c1ccccc1 25705895 NHGZPOPCVWNKMD-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB C[C@@H](NC(=O)C(C)(C)C)c1ccc2c(c1)CCCC2 28019805 MMXNRLHNXBOZLA-GFCCVEGCSA-N 259.393 3.789 0 40 CHAB FC1(F)CN(Cc2ccccc2)Cc2ccccc21 33373922 UHZBHPNJYFRAIV-UHFFFAOYSA-N 259.299 3.794 0 40 CHAB COc1ccc2nc([C@H]3CCN(C4CCCCC4)C3)[nH]c2c1 35446751 GCTKASVOCYIKAZ-ZDUSSCGKSA-N 299.418 3.694 0 40 CHAB biogenic,in-vitro Fc1cc(Br)c2nccc(Cl)c2c1 35731105 PVSURQVOBOTWEJ-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB OCCCCCCOCCCCc1ccccc1 39021120 NUXBXLTZPPGBJD-UHFFFAOYSA-N 250.382 3.579 0 40 CHAB O=C(Nc1nc(-c2ccco2)cs1)c1cccc(F)c1 40111375 VRTGJWREKQPVNS-UHFFFAOYSA-N 288.303 3.795 0 40 CHAB Cc1ccc(SCCNC(=O)[C@H]2CC=CCC2)cc1C 40160013 UAIAGSAFIBEQSS-HNNXBMFYSA-N 289.444 3.868 0 40 CHAB CCOC(=O)CCCCC(=O)c1ccc(Cl)cc1OC 43214376 ICINRZDDECMFNE-UHFFFAOYSA-N 298.766 3.655 0 40 CHAB CC(C)[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(F)cc1 43535030 SBBPLGRONUVPFY-CYBMUJFWSA-N 294.761 3.661 0 40 CHAB Cc1nc(-c2ccccc2)sc1-c1ccc(S)nn1 61966057 XRYBCTILQFNBSU-UHFFFAOYSA-N 285.397 3.864 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1 72208736 JTHREUKCPRMRTC-CQSZACIVSA-N 289.375 3.516 0 40 CHAB CC(C)N1CCC[C@@H]1c1cccnc1NC1CCC1 72213897 OVOWSUNNUJYNQK-OAHLLOKOSA-N 259.397 3.591 0 40 CHAB Cc1ccc([C@@H]2CSCCN2C(=O)C2CC=CC2)cc1 77996728 JQQJMNARDAMHJA-INIZCTEOSA-N 287.428 3.578 0 40 CHAB Cc1ccccc1[C@@H](NCc1cc[nH]n1)C(C)(C)C 80347472 QVVVNLNQWQYDPG-OAHLLOKOSA-N 257.381 3.595 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2ccc(Br)cc2)C1 95915755 RRXSUBUTPQBJIN-GHMZBOCLSA-N 268.198 3.931 0 40 CHAB Cc1noc(-c2ccccc2)c1C(=O)N1CCC2(CCC2)C1 97108236 FBRVSZNEWGCBAG-UHFFFAOYSA-N 296.370 3.666 0 40 CHAB Cc1cccc(Cl)c1NC(=O)N[C@@H]1CCOC(C)(C)C1 97161879 SKFZDCDSEOKYQB-LLVKDONJSA-N 296.798 3.728 0 40 CHAB Cc1coc(-c2cc(NC(=O)N3CCCC3)ccc2C)n1 98020440 SBGBKFONOGLILO-UHFFFAOYSA-N 285.347 3.586 0 40 CHAB CSc1cccc(N/C=C2\OC(=O)c3ccccc32)c1 100381234 YJFZJVMSMWFGDC-GDNBJRDFSA-N 283.352 3.989 0 40 CHAB O=C(/C=C/c1ccccc1)N1CCC[C@H](c2nccs2)C1 171645673 NPCSMDVRFGOOMK-HVHJFMEUSA-N 298.411 3.563 0 40 CHAB CS[C@H](C(=O)Nc1ccc(C)c(O)c1)c1ccccc1 178766296 RDOGMRDORHKQPI-HNNXBMFYSA-N 287.384 3.743 0 40 CHAB NC(=O)c1ccc2oc(-c3cccc4ccccc34)nc2c1 216793593 LRENEFWWOIGCDB-UHFFFAOYSA-N 288.306 3.747 0 40 CHAB O=C(Nc1ccn2nccc2c1)Nc1ccccc1Cl 217959425 UBYNHTNAOANTBV-UHFFFAOYSA-N 286.722 3.632 0 40 CHAB CCc1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 225320781 ARJPJMAJTBEQAE-UMVBOHGHSA-N 274.433 3.724 0 40 CHAB CCO[C@@]1(C(=O)Nc2ccc(OC)cc2)CCC[C@@H](C)C1 225712423 YXOIHWLLQOQYFH-DYVFJYSZSA-N 291.391 3.619 0 40 CHAB CCc1cc(N)cc(Cl)c1N1C[C@@H](C)C[C@H](C)C1 226315479 TWTYWZOHPUHQNL-QWRGUYRKSA-N 266.816 3.967 0 40 CHAB CC[C@@H]1CCC2=Nc3ccccc3[C@@H](C(=O)O)[C@H]2C1 245226343 RUOLINNBZYUUEU-IFUGULHKSA-N 257.333 3.767 0 40 CHAB O=C(O)C1(c2ccc3ccc(Br)cc3c2)CC1 259973857 RWOMBZPDBIKTIC-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB CCCN(c1cccc2ccccc12)[C@H](C)C(=O)O 260679479 OQKPRHQKSXKHHE-GFCCVEGCSA-N 257.333 3.529 0 40 CHAB COC(=O)c1cc(Cl)ccc1C(=O)C1CCCCC1 575362081 ZWQRQYLQJPIACD-UHFFFAOYSA-N 280.751 3.890 0 40 CHAB CCOc1ccc(-c2nnc(OC)c3ccccc23)cc1 98769 FADNXRJDVQDHAA-UHFFFAOYSA-N 280.327 3.704 0 40 CHAB Cc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1 422923 OFJKQOVHGJKGRK-CRAIPNDOSA-N 294.354 3.765 0 40 CHAB CNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 571676 HCCJEBDMUOLXMO-UHFFFAOYSA-N 271.385 3.647 0 40 CHAB COc1ccccc1[C@@H](C)c1cc2c(cc1OC)OCO2 1583602 QNUXFDXAKVNWRH-LLVKDONJSA-N 286.327 3.584 0 40 CHAB CC(C)(CNC1CCCCC1)OC(=O)c1ccccc1 1710496 XEHRUQFXKBJXKP-UHFFFAOYSA-N 275.392 3.544 0 40 CHAB C=Cc1ccc(CSc2nc3nc(C)cc(C)n3n2)cc1 12446137 XWOYEYIMUBBUQC-UHFFFAOYSA-N 296.399 3.676 0 40 CHAB Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1C 12441527 ORMAJIGQDDTDQC-GOSISDBHSA-N 295.382 3.517 0 40 CHAB CCCCNC(=O)N(C)Cc1cccc2ccccc12 42878173 PQJXZEDYJJBXGJ-UHFFFAOYSA-N 270.376 3.781 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc3ccccc3o2)C1 24766849 XDDJSBRVFZFVOC-TXEJJXNPSA-N 257.333 3.551 0 40 CHAB Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccccc1 55693233 GLSROQWQPLTTNN-MRXNPFEDSA-N 297.398 3.511 0 40 CHAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccco1 25464064 JISBXTCEGUVGAK-QMMMGPOBSA-N 267.687 3.563 0 40 CHAB COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1OC 25464997 XTJGHBKBRKVNEN-UHFFFAOYSA-N 299.370 3.620 0 40 CHAB CCCCOC(=O)c1cccc(C(=O)OCCCC)c1 1693417 GOPWOUQJIMLDDM-UHFFFAOYSA-N 278.348 3.600 0 40 CHAB CCCSCC(=O)Nc1ccccc1C(C)C 1910755 YWPZZIMGSANYSP-UHFFFAOYSA-N 251.395 3.892 0 40 CHAB COc1ccccc1/C=C/C(=O)Nc1cc(C)ccc1OC 1924832 NWCFJHMDDACRGN-PKNBQFBNSA-N 297.354 3.664 0 40 CHAB CCOc1cccc(NC(=O)Nc2cccc(OC)c2)c1 56341993 PRMCADFKQCTMLS-UHFFFAOYSA-N 286.331 3.738 0 40 CHAB CC[C@H](C)C(=O)N1CCc2sccc2[C@H]1CC 58394334 XXBOBSLQLJHXNH-CMPLNLGQSA-N 251.395 3.630 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@@H](O)C[C@@H]12 118913150 KVUXYQHEESDGIJ-ZXHZLALASA-N 292.463 3.751 0 40 CHAB in-vitro O=C(c1ccc(Cl)cc1F)N1CCC[C@H]1c1ccc[nH]1 48368445 GLQZUTCOAMEAOM-AWEZNQCLSA-N 292.741 3.785 0 40 CHAB COc1ccc(CCC(=O)Nc2cccc(C)c2)cc1 3481221 LNVXQHYZMLYUBY-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB C[C@@H](C[C@@H](C)C(=O)O)C(=O)Nc1ccccc1C(C)(C)C 4127992 WKPLLVBUQQDINJ-NWDGAFQWSA-N 291.391 3.670 0 40 CHAB Cc1ccc(C)c(OC(=O)c2cccnc2Cl)c1C 5517461 OJBBNLUTSQVHFK-UHFFFAOYSA-N 275.735 3.879 0 40 CHAB C[C@H]1C[C@H](C)CN(CCC(=O)Nc2ccc(Cl)cc2)C1 4743781 UCDGRAQDXGRBCS-STQMWFEESA-N 294.826 3.647 0 40 CHAB COc1cccc(O[C@H](C)c2nc3ccccc3[nH]2)c1 15833590 BJQQNJPMXUAUCB-LLVKDONJSA-N 268.316 3.712 0 40 CHAB O=C(O)c1ccc(OCc2cccc(F)c2)c(Cl)c1 7603967 RIRZJNDLDRPHJF-UHFFFAOYSA-N 280.682 3.756 0 40 CHAB c1ccc(C2(c3nc(-c4ccccn4)no3)CCC2)cc1 95963379 AMHAJZWNMKAZQF-UHFFFAOYSA-N 277.327 3.602 0 40 CHAB C[C@@H]1CCCN(Cn2nc(C3CC3)sc2=S)CC1 74719737 FNHSFXUXHVWSHU-SNVBAGLBSA-N 283.466 3.631 0 40 CHAB FCCOc1cccc(NCc2cccc3cn[nH]c23)c1 89780710 NXYSDFYQOXTQPE-UHFFFAOYSA-N 285.322 3.523 0 40 CHAB CO[C@H](C)c1cccc(NCc2cccc3cn[nH]c23)c1 89905252 VTJUUSIKSYEHQT-GFCCVEGCSA-N 281.359 3.882 0 40 CHAB CC(C)(C)c1ccc(NCc2cccc(C(N)=O)c2)cc1 20042581 DYBMDTBBUAIXLH-UHFFFAOYSA-N 282.387 3.695 0 40 CHAB CC[C@@H](C)OCc1nn(C(C)C)cc1Br 408716918 SQIBUEHYFUKRPE-SECBINFHSA-N 275.190 3.542 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)N(C)C1CCCCC1 38752675 FCPZWDDBBOUWAL-CQSZACIVSA-N 289.419 3.807 0 40 CHAB COc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 31663240 FGLSNUFRSGMBKX-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(F)cc1F 36697896 ICQLBNXAJQVGIA-SNVBAGLBSA-N 273.282 3.556 0 40 CHAB Nc1cc(-c2nc3cc(Cl)cnc3o2)ccc1Cl 78406861 ZFAUBOCSVWCNBU-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB CCOC(=O)C[C@@H](c1cccc(Cl)c1)N(CC)CC 72210300 DGDZCGBZISARCE-AWEZNQCLSA-N 283.799 3.676 0 40 CHAB Cc1cc(NC(=O)[C@H](C)S[C@@H](C)c2cccs2)on1 77961502 RNWHSMQLDQBETI-UWVGGRQHSA-N 296.417 3.866 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)N(C)Cc1ccccc1 46804284 IIXKNOOVOYNLGN-HNNXBMFYSA-N 299.439 3.967 0 40 CHAB Cc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1 86365017 MAHHAHRDABNOAH-UHFFFAOYSA-N 257.095 3.898 0 40 CHAB CSc1ccccc1[C@@H](O)c1ccc(C)s1 84193693 YJOPLWGZKFWZRY-CYBMUJFWSA-N 250.388 3.860 0 40 CHAB Cc1ccc(CC(=O)NC[C@@H](C)c2ccccc2)c(C)c1 225134789 SWIAODXYWIBYST-MRXNPFEDSA-N 281.399 3.766 0 40 CHAB Cc1cc(C(C)(C)C)ccc1OC[C@H]1CCCNC1 42774931 HMURCQJHEBYPBB-AWEZNQCLSA-N 261.409 3.671 0 40 CHAB CC[C@@H](Oc1ccccc1F)C(=O)NCC1=CCCCC1 224615411 KONDKQPDWSIXKR-OAHLLOKOSA-N 291.366 3.600 0 40 CHAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1 225632936 XLHHRVLSCFRCTK-GUYCJALGSA-N 291.391 3.619 0 40 CHAB CC1CCN(c2ccc(C=O)c(C(F)(F)F)c2)CC1 95093802 QAWSOCZIWSMDGB-UHFFFAOYSA-N 271.282 3.754 0 40 CHAB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@H](C)C(=O)O 260612741 AQUBNLIEFUUUMI-VXGBXAGGSA-N 261.365 3.560 0 40 CHAB COc1cccc(F)c1C(=O)c1ccc(SC)cc1 95917257 NDRMAZLJVLHFPR-UHFFFAOYSA-N 276.332 3.787 0 40 CHAB C[C@H](Cc1csc2ccccc12)NC(=O)C1CCC1 575606057 JNIPUYDPQRGKSG-LLVKDONJSA-N 273.401 3.749 0 40 CHAB O=C(c1ccccc1Cl)N1CCC2(CC1)CC2(F)F 650599469 QTPYFHBGGYVKKG-UHFFFAOYSA-N 285.721 3.601 0 40 CHAB CCOc1ccccc1OC(=O)/C=C/c1ccccc1OC 149742 RIEMIVQMNUBYAN-OUKQBFOZSA-N 298.338 3.713 0 40 CHAB COC(OC)c1ccccc1C(F)(F)C(F)(F)F 604221769 MOXPGAGHJDVKDL-UHFFFAOYSA-N 270.197 3.632 0 40 CHAB CN1C(=O)/C(=C/c2ccc(Cl)cc2)c2ccccc21 8091824 IYRYQYLIWZUBKX-GXDHUFHOSA-N 269.731 3.857 0 40 CHAB Cc1c(N)cccc1C(=O)Nc1ccccc1C(C)C 19267168 UOILKWPZCQNVPH-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB Fc1ccc(NCC(F)(F)F)cc1Br 135101500 BAOAOPILXLPMJT-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB O=C(O)c1cccnc1Nc1ccc(Cl)cc1Cl 1350636 SUPGBAYZQRCPAW-UHFFFAOYSA-N 283.114 3.830 0 40 CHAB O=C(COc1cccc(Cl)c1)Nc1cc(F)ccc1F 3515921 XRKGEQXRONALTC-UHFFFAOYSA-N 297.688 3.636 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1ccccc1C(=O)OC 2061896 XATGWJPPEPEQCX-LBPRGKRZSA-N 277.364 3.628 0 40 CHAB Cc1nn(-c2cccc(Br)c2)c(C)c1Cl 41461990 SPJVRJULLDKGMX-UHFFFAOYSA-N 285.572 3.905 0 40 CHAB CCC(CC)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 4072404 LNZKVQUKAZUSQU-UHFFFAOYSA-N 289.404 3.888 0 40 CHAB O=C([C@H]1CC=CCC1)N1CC=C(c2ccccc2)CC1 32994438 DBPSWUGXBGWSJF-KRWDZBQOSA-N 267.372 3.659 0 40 CHAB CCOc1ccc(NC(=O)[C@]2(C)C[C@@H]3C=C[C@H]2C3)cc1 478736 JSPMBDXGNFGWDS-IIYDPXPESA-N 271.360 3.626 0 40 CHAB O=C(Nc1cccc2cccnc12)c1cccnc1Cl 556516 BTMQSOVKVAUICN-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB Cc1cc(OCC(=O)N[C@H]2CCCC[C@@H]2C)ccc1Cl 141676 ZXACVKRLOMYMLC-NHYWBVRUSA-N 295.810 3.722 0 40 CHAB CN(C(=O)c1ccccc1)c1nc2ccccc2s1 320651 HZIHROTYRLKEHQ-UHFFFAOYSA-N 268.341 3.573 0 40 CHAB Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)c1 557880 GUNATTLBOUMQFO-UHFFFAOYSA-N 283.415 3.858 0 40 CHAB Cc1ccc(C(=O)n2c(=S)oc3ccccc32)cc1 1029583 UNUWXVBDZOTEEL-UHFFFAOYSA-N 269.325 3.961 0 40 CHAB CCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 1561496 OLKOZWXNZMOYKX-HUUCEWRRSA-N 298.423 3.617 0 40 CHAB CCCCOc1ccc2c(CCC)cc(=O)oc2c1 1893424 NJPLUVIMGPJSBG-UHFFFAOYSA-N 260.333 3.924 0 40 CHAB CNc1cc(-c2ccccc2)nc(-c2ccccc2)n1 3141473 MRCDLNBTHBLDBX-UHFFFAOYSA-N 261.328 3.852 0 40 CHAB C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(F)cc1 3614593 FGMUDLWMSXYSMB-QNCMIEPLSA-N 287.309 3.855 0 40 CHAB CC[C@@H](C)NC(=O)c1ccccc1-c1nc2ccccc2[nH]1 3901903 RGWARTPRUCFZCR-GFCCVEGCSA-N 293.370 3.758 0 40 CHAB Fc1ccccc1CSc1ccc(-c2ccccn2)nn1 4358003 YBYVDYNSPOSQSU-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB Fc1ccccc1CSc1ccc(-c2cccnc2)nn1 4358007 FUIVVVWPQHEOJE-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB C[C@H](NCc1ccccn1)C12CC3CC(CC(C3)C1)C2 4935074 OEWQNQVEKGVCBE-IILDEKEXSA-N 270.420 3.776 0 40 CHAB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2)nc1 6276133 MKKXLRGMNRYMFF-UHFFFAOYSA-N 277.780 3.852 0 40 CHAB CNCCC[C@@]1(O)c2ccccc2CSc2ccccc21 6639596 LJPIJKHELBOUMI-GOSISDBHSA-N 299.439 3.528 0 40 CHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCCCCC3)cc2)n1 8491373 NLDGXEXATKDPEU-UHFFFAOYSA-N 297.402 3.505 0 40 CHAB Cc1cccc(OCCCCNCc2ccco2)c1 8750529 UQKVIGOBCSZDRN-UHFFFAOYSA-N 259.349 3.537 0 40 CHAB O=c1[nH]c2ccccc2cc1-c1noc(C2CCCCC2)n1 8951576 KVZHIGCYESDUHY-UHFFFAOYSA-N 295.342 3.626 0 40 CHAB COc1cccc(NC(=O)CCc2ccccc2Cl)c1 10457696 HBGOUTJCGFURFK-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccccc3)cc2c1 12492993 RIXSKYNOQBUYKV-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB CC(C)c1ccc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc1 13547721 QOFHQLDEVVBGJQ-BETUJISGSA-N 277.433 3.595 0 40 CHAB Cn1c(SCc2ccc(F)cc2)nnc1C1CCCC1 17022716 JWCVSGLUFGFZAY-UHFFFAOYSA-N 291.395 3.904 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2ccccc21 20111640 NJHZWVRGEMDGRD-KRWDZBQOSA-N 299.345 3.572 0 40 CHAB NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 20136346 XDQNMHOTGFYVBU-FNORWQNLSA-N 282.126 3.752 0 40 CHAB CC(C)[C@H](C)NCc1ccc(F)c(Br)c1 20305451 XZFXDIXPMXGVHK-VIFPVBQESA-N 274.177 3.722 0 40 CHAB CCCCc1ccc(NC(=O)Cc2c(C)noc2C)cc1 22393095 IZWKAQYLNCKMKZ-UHFFFAOYSA-N 286.375 3.815 0 40 CHAB COC1CCC(C2=N[C@@H]3CCCC[C@H]3SC2)CC1 31949056 GXBXXGBYRZEHJT-UJFKTDLFSA-N 267.438 3.691 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 32609780 RVLAOXCOKUCKTD-CYBMUJFWSA-N 299.370 3.585 0 40 CHAB CCc1ccc(CNC(=O)c2ccc(C)s2)s1 36393068 VIJGRKBKWTXHBA-UHFFFAOYSA-N 265.403 3.610 0 40 CHAB CC(C)(C)c1cccc(OCC[C@H]2CCCCN2)c1 37428872 HLPYYWQPOOCOKQ-OAHLLOKOSA-N 261.409 3.895 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CC[C@@H](c2ccccc2)C1 38935618 OXSYWVRLSRRZSG-CQSZACIVSA-N 284.334 3.847 0 40 CHAB CC(C)c1nc(CC(=O)Nc2c(F)cccc2F)cs1 40092935 NNRDUESQSPSJRG-UHFFFAOYSA-N 296.342 3.726 0 40 CHAB Cc1ccccc1OCC(=O)N1CCSc2ccccc21 41155131 MJRWSLQZXXRQNC-UHFFFAOYSA-N 299.395 3.513 0 40 CHAB CCOc1ccccc1CNC(=O)Nc1ccc(CC)cc1 44845383 WPJTVGJXKZUTTR-UHFFFAOYSA-N 298.386 3.969 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1 48487189 OOCLAQLUTMHUOC-CYBMUJFWSA-N 274.408 3.942 0 40 CHAB Cc1ccc(C(=O)Sc2nc3ccccc3[nH]2)cc1 51075339 KKOALEXCQUYBAC-UHFFFAOYSA-N 268.341 3.804 0 40 CHAB Cc1ccc(CC(=O)N2c3ccccc3C[C@@H]2C)cc1 59344297 SNCOOPOVOCMDPJ-AWEZNQCLSA-N 265.356 3.515 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1C 59351199 ZSLRECYCRLMILL-HZPDHXFCSA-N 297.398 3.948 0 40 CHAB Cc1ccc(-c2ncc(C(=O)NC(C)(C)C)s2)c(C)c1 61109078 XAXVGPNHUOBCIK-UHFFFAOYSA-N 288.416 3.955 0 40 CHAB Cn1c(CSc2cccc(Cl)c2)nnc1C1CC1 69705923 FQFSRXPQCQJKGG-UHFFFAOYSA-N 279.796 3.638 0 40 CHAB COC(=O)/C(=C/c1ccc(SC)cc1)c1ccncc1 71795732 ZAJIEKFKSUHITB-RVDMUPIBSA-N 285.368 3.517 0 40 CHAB CCc1ccc([C@@H]2CCCCCN2Cc2nnc(C)o2)o1 71916186 HWMBOEZTYHQPGT-AWEZNQCLSA-N 289.379 3.651 0 40 CHAB COC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 72193628 QEKSHEKAWAHZBS-QPJJXVBHSA-N 280.682 3.925 0 40 CHAB CC(C)CN1CCCC[C@@H]1c1cccnc1Cl 72211519 JKMUYIKSQWZHRV-CYBMUJFWSA-N 252.789 3.918 0 40 CHAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCN1C(C)C 72218920 COUDHZRZDCYUGA-MRXNPFEDSA-N 273.424 3.536 0 40 CHAB COC[C@H](OC(C)C)c1ccc(Br)cc1 72220315 IYSOAZUBRXGHGY-LBPRGKRZSA-N 273.170 3.562 0 40 CHAB CCC[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1 75093559 UFVIONFQDFIJFT-SECBINFHSA-N 265.357 3.892 0 40 CHAB O=C(c1ccc(Cl)cn1)N1CCC[C@H]2CCCC[C@@H]21 89794257 NYRMUJRRSBOLAE-RISCZKNCSA-N 278.783 3.530 0 40 CHAB CC(=O)c1nc2ccc(Cl)cc2n1CC(C)C 95095679 FKZSUWNHFHEAGW-UHFFFAOYSA-N 250.729 3.548 0 40 CHAB Cc1cc(F)ccc1C(=O)C(F)(F)C(F)(F)F 95917015 CJCPUMUAIGDPML-UHFFFAOYSA-N 256.145 3.514 0 40 CHAB Cc1ccc(C)c([C@H](C)N[C@@H](C)Cc2ccncc2)c1 97017216 YYCYGAYKZMTBML-HOTGVXAUSA-N 268.404 3.980 0 40 CHAB Cc1nc(C(=O)N2CCC(C)(C)C2)c(-c2ccccc2)o1 97115637 ODXYMZIJEPIDBV-UHFFFAOYSA-N 284.359 3.522 0 40 CHAB Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102588758 LMBPCPDQHYOTBR-YXWQFLTLSA-N 272.392 3.941 0 40 CHAB COCCCNCc1cc(C)n(C2CCCCC2)c1C 223677103 NCBGFYNLLZKBGC-UHFFFAOYSA-N 278.440 3.736 0 40 CHAB O=C(O)[C@H](Cc1ccc(Cl)cc1)OCc1ccccc1 225062494 UAPLUHZOGLDWAI-HNNXBMFYSA-N 290.746 3.553 0 40 CHAB FC(F)COCCSC1=Nc2ccccc2CS1 225439087 OKKNXTLKVGTOJP-UHFFFAOYSA-N 289.372 3.936 0 40 CHAB CC[C@@H](NC(=O)Cc1ccccc1F)c1ccccc1C 225450600 HFACDMLNFXWEDC-QGZVFWFLSA-N 285.362 3.944 0 40 CHAB C[C@H]1CCCCN1C(=O)[C@H](C)n1cc(-c2ccccc2)cn1 227165666 RFPUTBXUTQVZHD-GJZGRUSLSA-N 297.402 3.512 0 40 CHAB Cc1ccc(-n2nc(Cl)c(Cl)c(Cl)c2=O)cc1 242547646 KPNIFXUULPVRKJ-UHFFFAOYSA-N 289.549 3.501 0 40 CHAB C[C@H](NCc1nc2ccccc2n1C1CC1)[C@@H]1C[C@H]1C1CC1 529542236 LMMQLLAKRPGGNU-RCBQFDQVSA-N 295.430 3.895 0 40 CHAB OCc1cc(-c2ccccc2)nc2c(F)cccc12 685937290 MLDBMFBYMRFGNQ-UHFFFAOYSA-N 253.276 3.533 0 40 CHAB O=C(Nc1ccc(F)cn1)Nc1ccccc1Cl 1202051772 FTYOYBMCFWCFQL-UHFFFAOYSA-N 265.675 3.518 0 40 CHAB CC(=O)Oc1ccccc1C(=O)Nc1ccccc1C(C)C 121694 QGJSSEDZTCZDHI-UHFFFAOYSA-N 297.354 3.988 0 40 CHAB Cc1cc(C)c(C(=O)NCCc2ccccc2)c(C)c1 123472 LFZLJENQAOZXLA-UHFFFAOYSA-N 267.372 3.584 0 40 CHAB COC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 494910 XJVWIPPWLXPZOR-UHFFFAOYSA-N 298.058 3.646 0 40 CHAB Cc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 529803 AFXQIQQKKPSIET-UHFFFAOYSA-N 286.404 3.609 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C 580061 CXPKFDKNORLPLI-INIZCTEOSA-N 269.344 3.791 0 40 CHAB O[C@H](c1cccc(Cl)c1)C(Cl)(Cl)Cl 1684706 OSNMUTGQMSQKNU-SSDOTTSWSA-N 259.947 3.744 0 40 CHAB Cc1cc(OCCCC(=O)NCC(C)C)ccc1Cl 1787166 LCNDBBVLOUGQQH-UHFFFAOYSA-N 283.799 3.580 0 40 CHAB O=C(Nc1ccccc1Cc1ccccc1)c1ccccn1 2638468 GENWIUDEDVMICC-UHFFFAOYSA-N 288.350 3.925 0 40 CHAB CC(C)Oc1ccc(C(=O)NCc2ccc(F)cc2)cc1 3326822 VTFVIIKUOQIWSB-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB O=C(CC1CCCC1)Nc1nc2ccccc2s1 3559725 LTGBJKQMLZCAPR-UHFFFAOYSA-N 260.362 3.815 0 40 CHAB CCSc1ccccc1C(=O)NCc1ccccc1 4731534 FQGKPGPFFYCJPL-UHFFFAOYSA-N 271.385 3.729 0 40 CHAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccccc1C 5403445 LRMPIPBLEKMUDD-PKNBQFBNSA-N 281.355 3.964 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)COc2ccc(Cl)cc2)[C@@H]1C 6435969 ZHGZWBNIFFCUSW-JMSVASOKSA-N 295.810 3.660 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@@H]2CCSc3ccccc32)o1 7777491 XJACSGXCZPLXNN-XVJNWHFHSA-N 299.395 3.955 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1F 7889100 GZOJQXOAZPKGOB-UHFFFAOYSA-N 269.319 3.875 0 40 CHAB Cc1ccc(Oc2ccc(N[C@@H](C)C(=O)O)cc2)cc1 8702712 KKQIOBZCCVUUHZ-LBPRGKRZSA-N 271.316 3.672 0 40 CHAB Cc1ccc(CCC(=O)Nc2cc(C(=O)O)ccc2C)cc1 8906777 LVOYPGATLGGBOL-UHFFFAOYSA-N 297.354 3.573 0 40 CHAB O=C(Nc1ccc2sccc2c1)c1ccc2c(c1)OCO2 9175894 ACCCCHTVSZNBGF-UHFFFAOYSA-N 297.335 3.882 0 40 CHAB Cc1ccc(CCC(=O)Nc2cccc(C)c2)cc1 10330480 XUVBQXMKBQWQGL-UHFFFAOYSA-N 253.345 3.875 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H]1C 13006293 GNAQFHZACMKTJG-IVZWLZJFSA-N 271.813 3.956 0 40 CHAB CCC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 14118592 FOXHEZXWMWTBED-UHFFFAOYSA-N 286.356 3.583 0 40 CHAB O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccco1 15867449 FQKFJMDGSGVBKK-UHFFFAOYSA-N 295.338 3.789 0 40 CHAB C[C@@H]1CCCN([C@@H](CN)c2ccc(Cl)cc2Cl)C1 20081646 UJGDOGDFIJTPLX-YGRLFVJLSA-N 287.234 3.725 0 40 CHAB Cc1ccc(-c2ccsc2C(=O)Nc2ccn(C)n2)cc1 21631062 WPRZMSKMRFJOKO-UHFFFAOYSA-N 297.383 3.709 0 40 CHAB O=C(CCSc1ccccc1)N[C@H]1CCc2ccccc21 22697400 DGUDHERAKDDJMO-KRWDZBQOSA-N 297.423 3.973 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](O)c1ccccc1 25662774 XEOQHVVLXIUVHB-SIXLDLHFSA-N 290.403 3.724 0 40 CHAB Cc1cccc(Cn2cc(NC(=O)c3cccs3)cn2)c1 28574430 GVLPHTIFZYTZIF-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB O=C1CCN2c3ccccc3Sc3cccc1c32 32265729 JUMWDPQISXJQIJ-UHFFFAOYSA-N 253.326 3.876 0 40 CHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2cccn2C)c1C 32910967 DCBBBQFTPMJUEW-UHFFFAOYSA-N 299.370 3.510 0 40 CHAB CN(C(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 32925328 ZAMWVOHBPWWSGD-HUUCEWRRSA-N 272.392 3.755 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)cc2Cl)c(O)c1 33028973 VUNHEURTODJCIR-UHFFFAOYSA-N 279.698 3.745 0 40 CHAB O=C(O)c1c(Cl)ccc(C(F)(F)F)c1Cl 38235787 WRNSEKNHEIXBES-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB in-vitro CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)C1CCCC1 38754782 RMPGMLZQYRHHIL-CQSZACIVSA-N 295.810 3.898 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)c1cccs1 40460958 DJIRNTAMERKIIR-UHFFFAOYSA-N 271.794 3.735 0 40 CHAB C[C@H]1c2ccsc2CCN1Cc1ccccc1C(=O)O 42771629 GBLFGNTTXIUFRP-NSHDSACASA-N 287.384 3.566 0 40 CHAB COc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1 45028458 LMAOZCBBMWVMKA-UHFFFAOYSA-N 280.245 3.945 0 40 CHAB Cc1ccc2sc(/C=C/c3csnn3)nc2c1 45745745 UNXSYGXUQDXEPL-HWKANZROSA-N 259.359 3.627 0 40 CHAB CCSc1nc(N)cc(Nc2cc(C)cc(C)c2)n1 49467475 IGLXETLXCAAQJB-UHFFFAOYSA-N 274.393 3.531 0 40 CHAB COc1ccc(C)cc1[C@H]1C[C@H](C(=O)O)C(C)(C)[C@@H]1C 59432162 LWFAZDJFNGDVSA-MBNYWOFBSA-N 276.376 3.854 0 40 CHAB CC(C)(C)OC(=O)NC1CCN(CC2CCCCC2)CC1 60881665 BBWXIYAIJMVPSG-UHFFFAOYSA-N 296.455 3.556 0 40 CHAB CCOC(=O)c1cnc2c(C(C)C)cccc2c1N(C)C 62719799 PMBAUSHBKUTQKR-UHFFFAOYSA-N 286.375 3.601 0 40 CHAB Fc1ccccc1OCCOc1ccc2ncccc2c1 65206137 UEHJGDSNYOXRBY-UHFFFAOYSA-N 283.302 3.832 0 40 CHAB CC(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1 65405220 UNZQTOCSCHTWMP-UHFFFAOYSA-N 286.809 3.663 0 40 CHAB Cc1cnccc1NC(=O)C12CC3CC(CC(C3)C1)C2 69737630 ZLWJRJNHAFPLGU-UHFFFAOYSA-N 270.376 3.545 0 40 CHAB C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccon1 70012411 HLSCNLQRXNKIMU-SNVBAGLBSA-N 250.729 3.521 0 40 CHAB Cc1noc([C@@H](C)Sc2ccccc2Cl)n1 71186310 WSSNTKGPRIWAMD-SSDOTTSWSA-N 254.742 3.885 0 40 CHAB C[C@H](NC(=O)C1CCCC1)c1nc(C(C)(C)C)cs1 71882934 UFCJXEFLSSWAAA-JTQLQIEISA-N 280.437 3.808 0 40 CHAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCN1C(C)C 72213392 KLGIBIMDMHAGNL-ZFWWWQNUSA-N 261.413 3.837 0 40 CHAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC2)cc1 76938602 WQZSOVMETKYZIF-HOTGVXAUSA-N 257.377 3.536 0 40 CHAB C[C@H](Nc1cccc2c1OCCO2)c1cc(F)ccc1F 79913420 CWKIPBWJOLKQRE-JTQLQIEISA-N 291.297 3.909 0 40 CHAB Cc1csc(CNc2cnc3ccccc3c2)n1 82711737 LEBBWBOGPDPIQT-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc(OC(F)F)cc1 83502155 ANZYMXMEPPZJPV-UHFFFAOYSA-N 259.252 3.635 0 40 CHAB Cc1cccc(N2CCN(CC3CCCCC3)CC2)c1 89672738 DKCKDBTZSVLVFR-UHFFFAOYSA-N 272.436 3.697 0 40 CHAB CCc1cc(CN[C@@H](C)c2cc(Cl)ccc2OC)on1 95423062 YCJXPQUSUNZGKJ-JTQLQIEISA-N 294.782 3.750 0 40 CHAB O=C(CC1(n2cccc2)CCCCC1)Nc1nccs1 95478798 XPLKQXOHDNNHPA-UHFFFAOYSA-N 289.404 3.633 0 40 CHAB O=C(c1c(F)c(F)c(F)c(F)c1F)C1CCCC1 95731250 JLQWUIXDRXBMIG-UHFFFAOYSA-N 264.193 3.755 0 40 CHAB Cc1ncc(Br)c(Br)c1Cl 95949988 KFIDZDFCVLTTPE-UHFFFAOYSA-N 285.366 3.568 0 40 CHAB CCCN(Cc1ccsc1)C(=O)/C=C/c1ccoc1 96120454 DZQZVRJQDQFRTB-ONEGZZNKSA-N 275.373 3.793 0 40 CHAB Cn1c(=O)c(SC2CCCCC2)c(O)c2ccccc21 101085614 TZUAGWWYIXTFND-UHFFFAOYSA-N 289.400 3.669 0 40 CHAB O=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 101471391 UKOAZIHMBPIBPU-KWBADKCTSA-N 264.756 3.650 0 40 CHAB COc1ccc(-n2cnc(-c3ccccc3)c2)cc1 196204150 USMQUUSQHGJRBH-UHFFFAOYSA-N 250.301 3.548 0 40 CHAB CCOC(=O)CSc1nc2cccc(Cl)c2s1 230402685 WXLYMQKRUPIZBM-UHFFFAOYSA-N 287.793 3.605 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCc1ccccc1)[C@H]2OC=O 254395468 RLHWKPHEDMEOHF-OVWQWFNUSA-N 288.387 3.570 0 40 CHAB CCN1c2c(OC)cc(C=O)cc2[C@H](C)CC1(C)C 260619421 LIXRCHJNBQCVBA-LLVKDONJSA-N 261.365 3.620 0 40 CHAB CCCCOCc1nn([C@H](C)CC)cc1Br 408715524 BKVUFPSOKNUXSY-SNVBAGLBSA-N 289.217 3.933 0 40 CHAB COC(=O)CCCCC(=O)c1cccc(C(C)(C)C)c1 575357782 QREVQAOWNMMXSD-UHFFFAOYSA-N 276.376 3.900 0 40 CHAB Cc1ccccc1NC(=O)c1cc(Cl)cnc1Cl 166674 DJKOHSNRJCXNJF-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB O=C(Cc1ccccc1)Oc1ccc2ccccc2c1 245335 GOALADUJAUGWAQ-UHFFFAOYSA-N 262.308 3.988 0 40 CHAB biogenic O[C@H](Cc1nc2ccccc2s1)C(Cl)(Cl)Cl 510011 ZWEVYWZFCYKBJY-MRVPVSSYSA-N 296.606 3.570 0 40 CHAB O=C1N[C@H](c2cccs2)Nc2sc3c(c21)CCCC3 565719 NMFGNYAOXZIRFE-LBPRGKRZSA-N 290.413 3.543 0 40 CHAB aggregator FC(F)=C(F)CCSc1nnc(-c2ccncc2)o1 1402574 ALXPEOCBJJVICS-UHFFFAOYSA-N 287.266 3.691 0 40 CHAB CCCCCSc1nnc(-c2ccccc2Cl)n1N 1789704 AKIOQLILOQRCEH-UHFFFAOYSA-N 296.827 3.595 0 40 CHAB Cc1ccc(OCCNC(=O)c2cc3ccccc3o2)cc1 2343917 GCWBRXAGGBNLBB-UHFFFAOYSA-N 295.338 3.550 0 40 CHAB Cc1cc(C)nc(NC(=O)CCC2CCCCC2)c1 2736877 SHOUGXDDYBTAIB-UHFFFAOYSA-N 260.381 3.997 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)c1 3561831 ITALKQJPYBUCGO-MDZDMXLPSA-N 295.338 3.550 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O 3814418 NVKAWKQGWWIWPM-MISPCMORSA-N 290.447 3.959 0 40 CHAB endogenous,in-man COc1cccc2c1O[C@@H]1c3ccccc3O[C@H]2[C@@H]1C 4010805 XIEVWUKEQUCDRJ-VFVAKGGASA-N 268.312 3.899 0 40 CHAB biogenic CSc1ccc(NC(=O)Cc2cccs2)cc1 8023510 MDQIVTZCTHPKGQ-UHFFFAOYSA-N 263.387 3.651 0 40 CHAB Clc1ccc(CNCc2ccncc2)c(Cl)c1 8418060 JOUKOVXOOYJZSX-UHFFFAOYSA-N 267.159 3.678 0 40 CHAB Cc1ccccc1NC(=O)c1cccc2ncccc12 8986810 STABHXPJIOEQRO-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB O=C1N[C@H](c2csc3ccccc23)Nc2ccccc21 9337610 JDWFHFRHDXQNPI-OAHLLOKOSA-N 280.352 3.755 0 40 CHAB COc1ccc(NCc2ccc3c(c2)C[C@H](C)O3)cc1 10299462 PQPHXXGTTZPHEF-LBPRGKRZSA-N 269.344 3.631 0 40 CHAB CCOc1ccccc1C(=O)Nc1nc(C(C)C)cs1 10637566 BXXSCDDLPKZXSQ-UHFFFAOYSA-N 290.388 3.918 0 40 CHAB O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc(F)cc1 12422126 TVJUJCIEIGYOCT-UHFFFAOYSA-N 296.301 3.662 0 40 CHAB Cc1ccc(NC(=O)N2[C@@H](C)CCC[C@H]2C)cc1F 13320304 QHQLUVUFCQOICW-TXEJJXNPSA-N 264.344 3.929 0 40 CHAB Cc1cc([C@H]2CCCCCN2Cc2ccco2)no1 19119464 WFLBWGURYNOEAS-OAHLLOKOSA-N 260.337 3.693 0 40 CHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(CC)CC 20110866 SRTSBTCLPPVWHI-MRXNPFEDSA-N 285.387 3.866 0 40 CHAB Cc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cn1 23455711 RPCVJBLEORWNJY-QGZVFWFLSA-N 280.371 3.540 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(C)cs2)C1(C)C 24541900 BAIAYWRTTDLPLP-MNOVXSKESA-N 264.394 3.628 0 40 CHAB O=C(CN1CCCc2ccccc21)c1c[nH]c2ccccc12 26462645 DSCSNCWAOICQEE-UHFFFAOYSA-N 290.366 3.803 0 40 CHAB O=C(O)c1ccc(Nc2ccnc3c(F)cccc23)cc1 26507735 LVJKLQVCEWJXHF-UHFFFAOYSA-N 282.274 3.816 0 40 CHAB Clc1ncc(Br)c(Nc2ccccc2)n1 26898624 NKUZAJOBLJQQPW-UHFFFAOYSA-N 284.544 3.636 0 40 CHAB O=C(O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 37374892 DVDAIOQKIUPXRT-CYBMUJFWSA-N 280.295 3.883 0 40 CHAB in-vitro CCCN(Cc1ccccc1)C(=O)Cc1cccc(F)c1 40160490 NHXWTLNDOJNEBC-UHFFFAOYSA-N 285.362 3.807 0 40 CHAB O=C(Nc1ccc(Cl)cn1)c1cccc2ncccc12 40489037 LJISAIIZFWKPIZ-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB COC(=O)Cc1cccc(-c2nc3ccccc3s2)c1 41127578 HTIYALAQHLIBGT-UHFFFAOYSA-N 283.352 3.679 0 40 CHAB Cc1ccc(C(=O)N2CCSc3ccccc32)cc1 41155178 PUUVXHOBUIISON-UHFFFAOYSA-N 269.369 3.748 0 40 CHAB Cc1cccc(C(=O)c2ccc(Cl)c(Cl)c2)n1 45028510 HQLDCPGQMNTEHT-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1cc(-c2ccc(CO)o2)cc(C)c1Br 45888699 IUOFMRYRUUFELM-UHFFFAOYSA-N 281.149 3.818 0 40 CHAB Clc1snnc1CN1CCC[C@@H]1C1CCCCC1 48287170 SGOSUSVYQJRQKT-GFCCVEGCSA-N 285.844 3.736 0 40 CHAB O=C1Nc2ccccc2/C1=C/c1cnc(-c2ccccc2)nc1 48340095 MXRZFSIDMUOHFE-YBEGLDIGSA-N 299.333 3.636 0 40 CHAB C[C@@H](CNC(=O)Cc1cccc(Cl)c1)c1ccccc1 67793199 UYIPBTOOUKMPBA-ZDUSSCGKSA-N 287.790 3.802 0 40 CHAB O=C(OCc1cnc(-c2ccccc2)s1)c1ccoc1 73016893 MFVLDPSKLQIKLU-UHFFFAOYSA-N 285.324 3.760 0 40 CHAB C[C@H](S[C@H](C(N)=O)c1ccccc1)c1cccs1 77961489 FMMKFWGLDKDKTN-GWCFXTLKSA-N 277.414 3.769 0 40 CHAB O=c1ccnc(/C=C/c2ccc(SC(F)(F)F)cc2)[nH]1 78899203 KNNMKLJKSJLVKF-ZZXKWVIFSA-N 298.289 3.552 0 40 CHAB Cc1cc(F)ccc1C(=O)c1c(F)cccc1F 89064282 YSQCQVNNJNJEFM-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB O=Cc1c(Br)ccc(Cl)c1Cl 90413563 YUSBVIYVLAAAHY-UHFFFAOYSA-N 253.910 3.568 0 40 CHAB FC(F)(F)c1cccc([C@H](NCc2ncc[nH]2)C2CC2)c1 94015097 XNYHUGVTTHBFLD-CQSZACIVSA-N 295.308 3.669 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2n[nH]c3ccccc23)C1(C)C 95349080 ADYCBWQYAUTSLL-OCCSQVGLSA-N 283.375 3.740 0 40 CHAB CCn1ccnc1-c1cccc(NCc2ccco2)c1 95429364 ORNNNEZMMVYSHE-UHFFFAOYSA-N 267.332 3.775 0 40 CHAB CCN(C)c1ccccc1NCc1scnc1C 95448798 KDZLNEFOEAUIRH-UHFFFAOYSA-N 261.394 3.520 0 40 CHAB CCC(C)(C)OC(=O)c1sc([C@@H](C)OC)nc1C 97049078 XVPDTYFFKDWFFV-SECBINFHSA-N 271.382 3.504 0 40 CHAB Cc1nccc(NC(=O)Cc2ccc(F)c(F)c2)c1Cl 97083450 YHFMHCMDQUCKLM-UHFFFAOYSA-N 296.704 3.503 0 40 CHAB CCCCO[C@H](C)OCC(F)(F)[C@H](F)C(F)(F)F 98210583 MHWJJEAAUALWDP-YUMQZZPRSA-N 282.224 3.701 0 40 CHAB Cc1cccc2sc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)nc12 104218361 GVPPJRKIHJNUEF-SDDRHHMPSA-N 286.400 3.979 0 40 CHAB Cc1cccc(C(=O)CCC(=O)c2cccs2)c1 222623929 ASKAZAOJKNSKEL-UHFFFAOYSA-N 258.342 3.902 0 40 CHAB Cc1cccc(NC(=S)NCc2ccccc2Cl)n1 223932322 OHLIXLSEQANQPW-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB CCOc1cccc(NC(=S)NC(C)(C)CC)c1 225644803 UCZGNRRTZKTEIS-UHFFFAOYSA-N 266.410 3.560 0 40 CHAB CCOc1cccc(NC(=S)NC(CC)CC)c1 225801230 JEYUHHKYRZNAKU-UHFFFAOYSA-N 266.410 3.560 0 40 CHAB CC(C)CCc1ccc(C(=O)O)n1Cc1ccc(F)cc1 226025322 CMTYXYKEBAKSPA-UHFFFAOYSA-N 289.350 3.962 0 40 CHAB CNc1cc([C@@H]2CCCN2Cc2ccsc2)ccn1 257253149 JXTUTLFCFLPFEM-AWEZNQCLSA-N 273.405 3.522 0 40 CHAB O=C(O)C1(c2ccc3cccc(Br)c3c2)CC1 259905895 OUFKSCXIZHCBAW-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB CCCC(=O)Nc1nc2cc(Cl)c(OC)cc2s1 557587 YRBHPYSCUFDARJ-UHFFFAOYSA-N 284.768 3.697 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2N)cc1 873963 WNUQREGTGZRIBN-UHFFFAOYSA-N 268.360 3.819 0 40 CHAB O=Cc1sc(Sc2ccccc2)nc1Cl 1389641 QKWGWIWWVPGQOS-UHFFFAOYSA-N 255.751 3.760 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)OCCOc2ccccc2)C1(C)C 1719058 PLYKECUVQBIVEJ-HZPDHXFCSA-N 288.387 3.847 0 40 CHAB Cc1ccccc1OC(=O)c1ccc2ncsc2c1 3276713 ZLFLWVQFIQBQDW-UHFFFAOYSA-N 269.325 3.824 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCc1cccs1 3299225 ICAUQQYJZZYYEG-SNVBAGLBSA-N 296.775 3.912 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 3454987 MAPCDSWAEFTVIT-LRDDRELGSA-N 251.329 3.948 0 40 CHAB aggregator COC(=O)C(C)(C)[C@@H](c1ccccc1)[C@H]1CCCCC1=O 3850135 ITXQPFPWSIBFQG-HOCLYGCPSA-N 288.387 3.729 0 40 CHAB biogenic Cc1nn2c(C(C)C)cc(C(=O)O)nc2c1-c1ccccc1 3883105 ZZVCLUOELMYBFK-UHFFFAOYSA-N 295.342 3.526 0 40 CHAB O=C(CSCc1ccccc1F)Nc1ccccc1 5236363 AAQPJXMWQYRZTC-UHFFFAOYSA-N 275.348 3.698 0 40 CHAB CCCCC(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 6594684 WKQOMTMVCITCOT-UHFFFAOYSA-N 299.418 3.756 0 40 CHAB O=C(OCc1nc2ccccc2o1)c1c[nH]c2ccccc12 7509646 AQTNRXQBNRAMNY-UHFFFAOYSA-N 292.294 3.666 0 40 CHAB CC(C)(C)NC(=O)COc1ccccc1-c1ccccc1 7669838 FPRGQNHSDHWNDP-UHFFFAOYSA-N 283.371 3.647 0 40 CHAB O=C(O)/C=C/c1cnc(-c2ccc(Cl)c(Cl)c2)nc1 8730995 ZARHSDFPYBKTCK-DAFODLJHSA-N 295.125 3.548 0 40 CHAB CC(=O)Nc1ccc(CNCc2ccc(Cl)cc2)cc1 8751812 AERUCKQGNSWOBU-UHFFFAOYSA-N 288.778 3.588 0 40 CHAB Cc1[nH]c2ccc(C(=O)NOCc3ccccc3)cc2c1C 11208664 ISGYIWOXPPMFPV-UHFFFAOYSA-N 294.354 3.646 0 40 CHAB Cc1ccc2nc(C)c(C(=O)N3CCC(C)CC3)cc2c1 12799265 CKNJGCZSIGIXNT-UHFFFAOYSA-N 282.387 3.724 0 40 CHAB CCCCN1C(=O)c2ccccc2[C@H]1O[C@@H](C)CC 13941905 PMKHBDPQULBXHR-BLLLJJGKSA-N 261.365 3.756 0 40 CHAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2cccs2)c1 14602947 IXUFNJHFDIGVII-ZDUSSCGKSA-N 289.400 3.621 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)Nc1ccc(F)cc1F 16499950 GBPRDNHUFNMRMG-UHFFFAOYSA-N 284.212 3.887 0 40 CHAB Cc1cc([C@@H]2CCCCCN2C(=O)c2cccs2)no1 19119348 WTCPNCNPJYEXQF-ZDUSSCGKSA-N 290.388 3.802 0 40 CHAB CCc1ccccc1NC(=O)c1ccc2c(c1)OCCCO2 19627123 ROAIZOFKQKIBLV-UHFFFAOYSA-N 297.354 3.663 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCC(C)CC1 20111130 DUOLCOHPFVIGHD-QGZVFWFLSA-N 289.419 3.719 0 40 CHAB Cc1c(NCc2ccc(Cl)cc2)cccc1C(=O)O 20295773 DONJKCNTHUNDNC-UHFFFAOYSA-N 275.735 3.959 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 20395258 WBMOFZNQVYHXPD-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB Nc1ccccc1NC(=O)c1ccc(Cl)cc1Cl 21958087 SFJDDZTWXOJXOX-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Cn1c2ccccc2n2c(C=O)c(-c3ccccc3)cc12 26512028 LBIHZTSHAUKTEX-UHFFFAOYSA-N 274.323 3.911 0 40 CHAB CCOc1ccccc1CNC(=O)Cc1cc(C)ccc1C 30751001 VIYPEWOIKWUHQS-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB CCCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 33448121 XLZJSHQKJRPYMH-FMIVXFBMSA-N 279.336 3.662 0 40 CHAB O=c1cc(Nc2ccc(Cl)cc2)c2ccccc2[nH]1 34657141 XKQNCHZAKXCJGV-UHFFFAOYSA-N 270.719 3.925 0 40 CHAB COc1ccc(Cl)c2c(Br)ccnc12 36075600 GVXUBHRZOSLKMK-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB Oc1ccc(OCc2ccccc2)c(Br)c1 39435260 GCPNTSZOBWSMND-UHFFFAOYSA-N 279.133 3.734 0 40 CHAB CNc1ccccc1C(=O)Nc1ccc(C)c(C)c1 41636384 HKRNROUYNQIIBN-UHFFFAOYSA-N 254.333 3.597 0 40 CHAB CSc1ccccc1C(=O)c1ccc(F)c(F)c1 43210229 GNFUAPRPKBHEDJ-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB CC(C)O[C@H]1CCc2cc(Br)ccc21 47843792 AVUQWQCTLHMHME-LBPRGKRZSA-N 255.155 3.861 0 40 CHAB in-vitro Cc1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 49535358 NSWRHQBNFJCHIU-MRXNPFEDSA-N 297.398 3.511 0 40 CHAB CC[C@@H](C)OCc1ccc(Br)cc1F 49601205 IKHJHEPEBDXIGY-MRVPVSSYSA-N 261.134 3.903 0 40 CHAB CNC[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 54588532 ZELGKUMJOLREBI-FUHWJXTLSA-N 267.372 3.589 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1C 59351200 ZSLRECYCRLMILL-JKSUJKDBSA-N 297.398 3.948 0 40 CHAB Cc1ccc(C(=O)[C@@H]2C[C@@H](C(=O)O)C(C)(C)[C@@H]2C)c(C)c1 59402453 YUQKJNKZHLWJHK-YUELXQCFSA-N 288.387 3.869 0 40 CHAB SC1=NC2(CCCC2)N=C1c1cccc(Cl)c1 67172573 BURMKZLWWYBIID-UHFFFAOYSA-N 264.781 3.741 0 40 CHAB Cc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1 71978204 WWJGSYHPGDSFJL-UHFFFAOYSA-N 261.328 3.701 0 40 CHAB Cc1ccc(-c2cc(C3(CN)CCCC3)no2)cc1C 72220689 YQONFANKFJKNSF-UHFFFAOYSA-N 270.376 3.729 0 40 CHAB CCCN1CC=C(c2nc3cc(C)c(C)cc3o2)CC1 73636273 HWKILRNTHYKZSE-UHFFFAOYSA-N 270.376 3.944 0 40 CHAB CN1C[C@@H]2c3cc(Cl)ccc3Oc3ccccc3[C@H]2C1=O 77024154 IHRQBJYWHVRTCP-CZUORRHYSA-N 299.757 3.785 0 40 CHAB Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccncc2)cc1 84148750 CQYIOZWRZPEBPW-INIZCTEOSA-N 281.359 3.759 0 40 CHAB CC(C)(C)C1CCC(CC(=O)O)(n2cccc2)CC1 85863771 VUWDXPVXJGMUFT-UHFFFAOYSA-N 263.381 3.894 0 40 CHAB Cc1ccc(C(=O)c2ccc3c(c2)OCO3)cc1Cl 95916404 XCJIZNAXQRDDDR-UHFFFAOYSA-N 274.703 3.608 0 40 CHAB COC(=O)[C@H](C)c1cc(Oc2ccccc2)ccc1F 96171909 VKNLUTWKDOKSCK-LLVKDONJSA-N 274.291 3.895 0 40 CHAB CC(C)[C@@H](C)[S@@](=O)Cc1ncc(Cl)cc1Cl 97148232 RTQCOHWWEMIGQO-VPTHRUTESA-N 280.220 3.682 0 40 CHAB CCOC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 116854116 NZCFKGVBQCEMPK-UHFFFAOYSA-N 286.114 3.825 0 40 CHAB CCc1ccccc1NC1=CC(=O)N(c2ccccc2C)C1 217424812 LWJWNGXZXYRONK-UHFFFAOYSA-N 292.382 3.900 0 40 CHAB CC[C@H](NC(=O)c1ccccc1)c1ccc(OC)c(C)c1 224673452 AMTDLRORENYICX-INIZCTEOSA-N 283.371 3.885 0 40 CHAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)cn1 225942808 UJEQKOIERCBJGN-UHFFFAOYSA-N 298.386 3.606 0 40 CHAB C[C@@H](NC(=O)c1ccc2[nH]c(Cl)nc2c1)c1ccccc1 225977516 PGXSJMDGUZFNOK-SNVBAGLBSA-N 299.761 3.707 0 40 CHAB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 253531402 FMGSKLZLMKYGDP-LCWCZVIYSA-N 288.431 3.879 0 40 CHAB CC(C)Oc1ccc(NC(=O)C2CC(C)(C)C2)c(F)c1 509528702 TXAJMROPCSDLDP-UHFFFAOYSA-N 279.355 3.988 0 40 CHAB Cc1cccc2sc(N3CCC[C@@H](CF)C3)nc12 1307198949 UKEDBQDSMZJCCZ-NSHDSACASA-N 264.369 3.791 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccccc1 1775995964 OUCOSPKYEXQPFD-GASCZTMLSA-N 256.349 3.792 0 40 CHAB CCC(CC)C(=O)Nc1cccc(Br)c1 253790 ZABDHJPSHCJZFP-UHFFFAOYSA-N 270.170 3.824 0 40 CHAB CCC(CC)C(=O)Nc1cc(Cl)ccc1OC 335454 DLWXNRFNNMJMMI-UHFFFAOYSA-N 255.745 3.723 0 40 CHAB CC(=O)Oc1ccccc1C1SCSCS1 1729204 PMGUTXGSYVWUPE-UHFFFAOYSA-N 272.416 3.739 0 40 CHAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(F)cc1 3336675 CQHBGEHXRMCKGH-LLVKDONJSA-N 291.753 3.899 0 40 CHAB CC(C)=C1CC[C@@]2(C)OC(=O)[C@@H](Cc3ccccn3)[C@@]12C 4574934 LABKVGSCWMJBSU-KBAYOESNSA-N 285.387 3.692 0 40 CHAB Cc1[nH]c2c(ccc3[nH]c(=O)cc(C(F)(F)F)c32)c1C 4632312 NZRMWCBJYPBDMF-UHFFFAOYSA-N 280.249 3.645 0 40 CHAB c1ccc(-c2nnc3c(n2)-c2cccc4cccc-3c24)nc1 4942499 RHZLITGWKYIHSR-UHFFFAOYSA-N 282.306 3.734 0 40 CHAB CCc1ccc(NC(=O)COc2c(C)cccc2C)cc1 5477291 XLPWFNYCUXGDIO-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1C 8049230 KMRULGHJTCPAIN-AWEZNQCLSA-N 275.392 3.520 0 40 CHAB O=C(NCCCc1nc2ccccc2s1)c1ccccc1 9112109 NELXGUBMWHDPTH-UHFFFAOYSA-N 296.395 3.659 0 40 CHAB CC(C)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 12386640 BHENPMXDWXVPJS-MRXNPFEDSA-N 283.419 3.884 0 40 CHAB COc1ccc(C(=O)c2cc3ccccc3o2)cc1 12943885 NBZQDHFJJVOLEP-UHFFFAOYSA-N 252.269 3.672 0 40 CHAB Cn1nc2c(c1-c1cccnc1)CCCc1ccccc1-2 13283822 GRFSJPGMTZLYNO-UHFFFAOYSA-N 275.355 3.638 0 40 CHAB CC[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(F)c1 13320541 HTZOMWNIXNSFJW-CYBMUJFWSA-N 264.344 3.931 0 40 CHAB Cc1ccsc1C(=O)OCc1nc2ccccc2o1 14245234 YREUXKIQGXOCFT-UHFFFAOYSA-N 273.313 3.555 0 40 CHAB C[C@H]1[C@@H](c2ccccc2)O[C@@H](c2ccc(F)cc2)N1C 15083173 NCFAOYHCXKLQJD-ZLIFDBKOSA-N 271.335 3.916 0 40 CHAB Cc1cc(-c2ccc(S(C)(=O)=O)cc2)nc2ccccc12 15453987 VTYHRWVJCPTZGJ-UHFFFAOYSA-N 297.379 3.614 0 40 CHAB O=C(Nc1cccc(F)c1)Nc1ccc2c(c1)CCC2 15924863 TYSSBBZEFZAMIO-UHFFFAOYSA-N 270.307 3.958 0 40 CHAB S=C(Nc1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 16212074 NHQSEXJBUGXWII-OPQQBVKSSA-N 280.824 3.815 0 40 CHAB CCOC(=O)[C@@H]1Nc2ccc(Cl)cc2[C@H]2CCC[C@@H]21 17212145 XDXFRRBUKGOJKG-COPLHBTASA-N 279.767 3.581 0 40 CHAB O=[N+]([O-])/C=C\c1c[nH]c2ccc(OCc3ccccc3)cc12 17328343 VHFAFPNKRNJZPV-HJWRWDBZSA-N 294.310 3.994 0 40 CHAB O=C(Nc1cccc(Br)c1)c1ccsc1 19513989 ZQNSODJYPIAXIH-UHFFFAOYSA-N 282.162 3.763 0 40 CHAB CC(C)C(NC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(C)C 20042124 PLPPFIKQQRMUSJ-GFCCVEGCSA-N 297.826 3.904 0 40 CHAB CCCN1CCC(N[C@@H](C)CCCC(C)C)CC1 20138625 LPOGLYMFSGZALH-HNNXBMFYSA-N 254.462 3.665 0 40 CHAB CCCCCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 20528702 KBNVTKNLGCZHDQ-UHFFFAOYSA-N 277.364 3.771 0 40 CHAB N=C1c2ccccc2CN1c1ncc(Cl)cc1Cl 20533643 VFKWSWDJHOQGLM-UHFFFAOYSA-N 278.142 3.734 0 40 CHAB c1ccc2c(c1)CC[C@H](Nc1ccc3cn[nH]c3c1)C2 23549928 BHVZOQFRZPLJMA-HNNXBMFYSA-N 263.344 3.532 0 40 CHAB FC(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 26420506 TVWOBKTURBXCNX-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB CCOC(=O)c1cc(Cl)c(C)c(Br)c1 26508421 WZWWWLHHOKQRHE-UHFFFAOYSA-N 277.545 3.588 0 40 CHAB Clc1ccc(COC[C@H]2CCCCN2)cc1Cl 28521937 DPPWDCSDDCSVPZ-LLVKDONJSA-N 274.191 3.652 0 40 CHAB COc1cccc([C@H]2CCCN2C(=O)C2CCCCC2)c1 32889853 PKODPDMTEFRGMF-QGZVFWFLSA-N 287.403 3.939 0 40 CHAB CC(C)(C(=O)Nc1ccc(F)c(F)c1)c1ccccc1 36185564 LGCNJFVKQWUPFQ-UHFFFAOYSA-N 275.298 3.881 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2Cn2cccn2)s1 36761243 WOBYCUJYDXCMTK-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB Nc1ccc(Cl)c(-c2nc(-c3ccccc3)no2)c1 37641950 ZUCXBIREWMONJT-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CC(C)C[C@@H](NCC[C@@H]1CCCO1)c1ccccc1 38095569 DONACSAWZIPZOL-DLBZAZTESA-N 261.409 3.933 0 40 CHAB C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc(F)cc1 39516486 CHJCGYUYTVVCJN-LBPRGKRZSA-N 289.325 3.775 0 40 CHAB CC(C)CN(Cc1ncc(-c2ccccc2)o1)C1CC1 40063290 WSPIPOUPHUIESS-UHFFFAOYSA-N 270.376 3.962 0 40 CHAB COc1ccc(F)cc1C(=O)N1CCCCc2ccccc21 40133901 QOMBCRJZJHHKJL-UHFFFAOYSA-N 299.345 3.817 0 40 CHAB CC(C)OCCCNc1ncc(C(F)(F)F)cc1Cl 40160644 AIZWBVCTVGRZAS-UHFFFAOYSA-N 296.720 3.981 0 40 CHAB COc1cccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C)c1 40945962 AHNADTPKOZFEGF-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB CCC(CC)N(C)C(=O)N[C@H]1CCCc2ccccc21 42959959 CMXUIXZDMJYODE-INIZCTEOSA-N 274.408 3.894 0 40 CHAB Cc1c(C)c(C)c(C(=O)CC(C)(C)C(=O)O)c(C)c1C 43214269 SRJANRRIVVMFBD-UHFFFAOYSA-N 276.376 3.912 0 40 CHAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1cccs1 49548654 MRQRRXXPYHDZRB-VIFPVBQESA-N 275.377 3.823 0 40 CHAB O=C(O)CSc1nc(-c2ccc(Cl)cc2)cs1 54360583 IXJFNFVXJBQMOD-UHFFFAOYSA-N 285.777 3.640 0 40 CHAB Cc1noc(C)c1NC(=O)CCc1ccccc1Cl 58226194 PHBHHJKAKSUSJL-UHFFFAOYSA-N 278.739 3.516 0 40 CHAB CCCNc1ncc(CN[C@H](CCC)c2ccccc2)cn1 62717711 ZQPXSWANPHDERD-QGZVFWFLSA-N 298.434 3.930 0 40 CHAB Cc1nc(C)c(C(=O)N(C)[C@H](C)c2ccccc2)s1 65591457 QIVHLIVLWRMRLN-LLVKDONJSA-N 274.389 3.593 0 40 CHAB CS[C@H](C)c1cccc(NC(=O)c2ccnc(F)c2)c1 67237202 WMCCFTVEPZMUDH-SNVBAGLBSA-N 290.363 3.897 0 40 CHAB c1ccc(COc2ccc(C3=NCCCC3)cn2)cc1 72212030 KOZVJUGJPHSACK-UHFFFAOYSA-N 266.344 3.634 0 40 CHAB CCCN1CCCC[C@@H]1c1ccc(N(CC)CC)nc1 72212854 AWYCWRQBRWEDHG-MRXNPFEDSA-N 275.440 3.865 0 40 CHAB C[C@H](NC(=O)c1cn[nH]c1-c1cccs1)c1ccccc1 72329464 TUJFBCQNQZNLOK-NSHDSACASA-N 297.383 3.629 0 40 CHAB Clc1nc2ccc(I)cc2s1 75629562 PPWBFTWXPHUOSB-UHFFFAOYSA-N 295.532 3.554 0 40 CHAB CC[C@H](C)[C@H](C)N(C(=O)c1ccc(Cl)nc1)C1CC1 78509682 RSNOLSACENALNP-QWRGUYRKSA-N 280.799 3.774 0 40 CHAB CCCC(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 78729687 LUIZDXDVWSOEAG-KRWDZBQOSA-N 286.350 3.569 0 40 CHAB Clc1cccc(Cl)c1SC1CCNCC1 83308927 GIRVPGIELNQZTR-UHFFFAOYSA-N 262.205 3.838 0 40 CHAB CN(Cc1ccccc1)c1ccccc1NCc1ncc[nH]1 95448755 FPNZIZYWQYLSEX-UHFFFAOYSA-N 292.386 3.658 0 40 CHAB COc1cc2ccncc2cc1OCCOc1ccccc1 95467723 QLTYAURMPGBEGT-UHFFFAOYSA-N 295.338 3.701 0 40 CHAB Cc1nnc([C@H](C)N2CCc3ccc(C(C)(C)C)cc3C2)o1 97080468 CQAUVZALFAOGSG-LBPRGKRZSA-N 299.418 3.795 0 40 CHAB Cc1cccc(Cl)c1NC(=O)Nc1c(C)n[nH]c1C 97161903 YTRMUFCIESHGHV-UHFFFAOYSA-N 278.743 3.632 0 40 CHAB CC(C)(C)OC(=O)n1cc(C=O)c2cc(Cl)ccc21 142491583 KRYAFOHUXHSOOX-UHFFFAOYSA-N 279.723 3.890 0 40 CHAB COc1ccc(C(=O)CCc2ccc(F)cc2F)cc1F 199763246 GPICANHVHVLBQO-UHFFFAOYSA-N 294.272 3.928 0 40 CHAB Cc1ccc(O[C@H](Cc2ccccc2F)C(=O)O)cc1C 225052314 TVYHULNXTGVREU-MRXNPFEDSA-N 288.318 3.517 0 40 CHAB Cc1ccc(C2=NN[C@H](c3ccccc3F)S2)cc1 409081424 ODXIWFBTYLMOPH-HNNXBMFYSA-N 272.348 3.831 0 40 CHAB CC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C 27699 NPJVGQHTXJHUEL-GUYCJALGSA-N 280.371 3.985 0 40 CHAB CC(C)(C)N1C(=O)C(Cl)(Cl)[C@H]1c1ccccc1 302681 YKHNVNMBJJTXEZ-SNVBAGLBSA-N 272.175 3.542 0 40 CHAB CN(Cc1ccccc1)C(=S)Nc1ccccc1 496135 ULEYCZVTNFMJOO-UHFFFAOYSA-N 256.374 3.515 0 40 CHAB S=C(SCc1cccs1)N1CCCCC1 527898 LRYYFMZHEAJPNG-UHFFFAOYSA-N 257.449 3.752 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)NC2CCCCC2)cc1 572052 LNNKWPONYAGVFO-ZDUSSCGKSA-N 277.433 3.925 0 40 CHAB Cc1nc2cc(NC(=O)Nc3ccccc3F)ccc2o1 800454 LIBIEPUPRIHEMJ-UHFFFAOYSA-N 285.278 3.919 0 40 CHAB CCCC(=O)N(CC)c1nnc(-c2ccccc2C)s1 1345260 XXISHNWGXJSZRY-UHFFFAOYSA-N 289.404 3.667 0 40 CHAB NCCCC(=O)N1c2ccccc2Sc2ccccc21 2349896 BIOXKMKFXILXJE-UHFFFAOYSA-N 284.384 3.555 0 40 CHAB CCOc1ccccc1NC(=S)Nc1ccccc1 3157092 ITNXKTRCXVKNHJ-UHFFFAOYSA-N 272.373 3.894 0 40 CHAB CCC(CC)NC(=O)COc1ccc(Cl)cc1Cl 3242537 IQQFXODYNGDECS-UHFFFAOYSA-N 290.190 3.677 0 40 CHAB Cc1cc2cc(CNC(=O)C3CCCCC3)ccc2[nH]1 4137995 MDDGEFNFSYIVTP-UHFFFAOYSA-N 270.376 3.673 0 40 CHAB Cc1ccc2sc(NC(=O)c3ccco3)nc2c1C 4275350 MLVIFQTXYZJEEV-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB Cc1ccc(NC(=O)Nc2nc3ccccc3[nH]2)cc1 6187896 KWZDTNJSCHSROU-UHFFFAOYSA-N 266.304 3.515 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1C 6199844 AQCQZZGFOSBOFH-WDMOLILDSA-N 264.344 3.772 0 40 CHAB Cc1ccc(OCCCn2c(C=O)nc3ccccc32)cc1 6607422 GXXZKCCCADTCBV-UHFFFAOYSA-N 294.354 3.626 0 40 CHAB CCOc1cc(CNCc2ccc(C)cc2)ccc1OC 7538065 RVJZGQPRNWXBKB-UHFFFAOYSA-N 285.387 3.692 0 40 CHAB O=C(O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 12360226 HCSJKRALCMDCMF-UHFFFAOYSA-N 299.757 3.970 0 40 CHAB O=C(O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12760963 LGKCFCXPJGIKKH-UHFFFAOYSA-N 283.258 3.846 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)s1 12762562 OUGKEYOGLDGWAL-UHFFFAOYSA-N 296.351 3.751 0 40 CHAB Cc1cc(Nc2ccccc2)nc(-c2ccccc2O)n1 13126420 HPGRFECGZABYSQ-UHFFFAOYSA-N 277.327 3.901 0 40 CHAB COc1ccc(NCc2ccc3[nH]ccc3c2)c(OC)c1 15424231 YRZNWIIDLXTBQK-UHFFFAOYSA-N 282.343 3.797 0 40 CHAB Fc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 16221828 JUEAGHGVWAPYTJ-RWEMILLDSA-N 298.814 3.954 0 40 CHAB Cc1ccccc1CNC1C2CC3CC(C2)CC1C3 16362680 VIFZLICPAABLTE-UHFFFAOYSA-N 255.405 3.909 0 40 CHAB O=C(NCCc1ccccc1)Nc1ccc2c(c1)CCC2 20522210 PWLKTMPBZMAVNJ-UHFFFAOYSA-N 280.371 3.540 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(F)ccc1F 28210792 DQFHUUBFBFDKSQ-LBPRGKRZSA-N 289.325 3.716 0 40 CHAB C[C@H]1CCCC[C@H]1N(C)CCC(=O)Nc1ccccc1 32777680 CJQIVLRRDCRIRZ-GOEBONIOSA-N 274.408 3.526 0 40 CHAB O=C(c1ccccc1)c1ccc(O)c(Cl)c1Cl 34204878 OJBNGDHMKPZILA-UHFFFAOYSA-N 267.111 3.930 0 40 CHAB CC[C@H](NC(=O)COc1cc(C)ccc1C)c1ccccc1 36562623 PRPBECPGTQIYKQ-KRWDZBQOSA-N 297.398 3.950 0 40 CHAB COc1ccc(F)cc1C(=O)c1ccc(Cl)cc1 36944274 KFUPXVBYUOBGNU-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB O=C(CCCc1cccs1)NC1CCCCC1 40160756 MRQDALWXGSOWAM-UHFFFAOYSA-N 251.395 3.520 0 40 CHAB O=C(NCCCn1ccc2ccccc21)c1cccs1 40161006 IJFBSGMPUXKKKT-UHFFFAOYSA-N 284.384 3.523 0 40 CHAB CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2o1 57535988 HKRZBDKPGWGUII-UHFFFAOYSA-N 286.718 3.758 0 40 CHAB O=C(c1cccc2ncccc12)N1CCc2ccc(F)cc21 58742255 GZTMNTWNBIWEQR-UHFFFAOYSA-N 292.313 3.577 0 40 CHAB COc1ccc2nc(Cl)sc2c1Br 59787618 CBDBYQQQJMRNSL-UHFFFAOYSA-N 278.558 3.721 0 40 CHAB COc1cccc2cc(/C=C3\C(=O)Nc4ccccc43)oc12 67189543 QTNCTACZLLTUDS-UVTDQMKNSA-N 291.306 3.934 0 40 CHAB Cc1ccc2[nH]cc(-c3nccc(C(F)(F)F)n3)c2c1 67973988 PODGNJPUGMJWDB-UHFFFAOYSA-N 277.249 3.952 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H]2CCCC[C@@H]21 69874268 FVIHFDUAXKRQIE-LRDDRELGSA-N 268.360 3.573 0 40 CHAB Oc1cc(Br)c(Cl)c(Br)c1 70461235 BVXNCUMOFKGFKF-UHFFFAOYSA-N 286.350 3.571 0 40 CHAB COc1ccccc1-c1cncc(Br)c1 72192745 GPDFLPITJDKEHJ-UHFFFAOYSA-N 264.122 3.520 0 40 CHAB O=C(O)c1[nH]nc(-c2ccc(F)cc2)c1Cc1ccccc1 72220434 OZFQGSQWDWECAE-UHFFFAOYSA-N 296.301 3.505 0 40 CHAB CC1(OC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)C2CC3CC(C2)CC1C3 72232654 OJGSGTWNQWAFBE-SHFPQENTSA-N 286.415 3.957 0 40 CHAB Cc1ccc(-c2c(CC(=O)O)c(O)nc3ccccc23)cc1 72314466 HBLKMXDFHGYABW-UHFFFAOYSA-N 293.322 3.543 0 40 CHAB C[C@H](c1ccccc1F)[S@](=O)Cc1cccc(F)c1 78556127 VANOBFVQWXGNFJ-WYRIXSBYSA-N 280.339 3.975 0 40 CHAB c1ccc([C@@H]2C[C@H]2CNc2cccc(-c3nc[nH]n3)c2)cc1 89828039 JYWRFNAJEBVZNX-RDJZCZTQSA-N 290.370 3.687 0 40 CHAB Fc1ccccc1CCN[C@H](Cc1ccccc1)C(F)F 95455498 ZUBKYVSNRSMNPD-MRXNPFEDSA-N 293.332 3.834 0 40 CHAB O=C(NC1CC1)c1ccccc1NCCCc1ccccc1 96967569 IIYNBWZBTVOBDT-UHFFFAOYSA-N 294.398 3.624 0 40 CHAB CC(C)Cn1ncnc1CN[C@H](C)c1cc2ccccc2o1 97111323 LAMSYKPRLCFTTC-CYBMUJFWSA-N 298.390 3.531 0 40 CHAB Cc1cc(C)nc(S[C@@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)n1 100928216 ZXXWVGOLGNDPMP-GHJWDPDVSA-N 290.432 3.579 0 40 CHAB c1ccc(N2C34[C@H]5CC[C@H](C5)C23[C@@H]2CC[C@@H]4C2)cc1 104292311 QPYBRXVRASWGTM-NVDQQAOASA-N 251.373 3.844 0 40 CHAB CCCn1cc(C(=O)O)c2cc(Br)ccc21 107700169 LQJOCHXUVQOKRC-UHFFFAOYSA-N 282.137 3.512 0 40 CHAB CCc1c(C)sc(N)c1C(=O)c1ccc(C)cc1 113188483 JJHRTNUGNRYYEN-UHFFFAOYSA-N 259.374 3.741 0 40 CHAB Cc1ccc(Oc2cncc(Br)c2)cc1 123977151 GLGQPYAGFNLYKE-UHFFFAOYSA-N 264.122 3.945 0 40 CHAB O=[S@](Cc1ncc(Cl)cc1Cl)C1CCCCC1 163643089 LIWSNJVRULTBSS-KRWDZBQOSA-N 292.231 3.970 0 40 CHAB Cc1ccc(-c2ccccc2O)c(N)c1Br 169801507 LUQJUASVHZGFDA-UHFFFAOYSA-N 278.149 3.712 0 40 CHAB C[Si](C)(C)c1cc2ccccc2cc1[Si](C)(C)C 196772179 CUIBEHSKGLAUQF-UHFFFAOYSA-N 272.540 3.930 0 40 CHAB Cc1c(F)cccc1C(=O)C(Cl)(Cl)Cl 212721238 XLUTUKVOSLZJDM-UHFFFAOYSA-N 255.503 3.687 0 40 CHAB Cc1ccc(CCCNC(=O)CCc2ccc(F)cc2)cc1 225267644 DFYXGSQEIPJQBU-UHFFFAOYSA-N 299.389 3.816 0 40 CHAB CCCCOc1ccc(NC(=O)C(C)(C)C)c(C)n1 225879749 ZAUDOYUGIIQJFE-UHFFFAOYSA-N 264.369 3.554 0 40 CHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1ccco1 240068169 SLPXYDYAUGQHIY-CYBMUJFWSA-N 295.338 3.786 0 40 CHAB O=C(/C=C/c1ccoc1)NC1(c2cccs2)CCCC1 390828307 QBDSDNWPGUQTBA-AATRIKPKSA-N 287.384 3.940 0 40 CHAB CC[C@@H](Cc1ccccc1)c1nc(-c2cscn2)no1 516840553 SBRBEVUHOWCRNL-LBPRGKRZSA-N 285.372 3.929 0 40 CHAB c1ccc(C(c2ccccc2)n2cc(C3CC3)nn2)cc1 2087079660 RGEJIDOZTSFPNY-UHFFFAOYSA-N 275.355 3.793 0 40 CHAB C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 30110 ICURDVMEGIJABN-VIFPVBQESA-N 272.175 3.866 0 40 CHAB CCCCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 2745983 ZSQMZQCQQBWFBC-LBPRGKRZSA-N 283.799 3.722 0 40 CHAB CCN(C(C)=O)c1nc(-c2ccc(Cl)cc2)cs1 932755 YVUFTMCKJJKRCQ-UHFFFAOYSA-N 280.780 3.836 0 40 CHAB CCN(CC)C[C@@](CC)(c1ccccc1)C1(O)CCCC1 2043277 CTRJMWKCAXNZAW-SFHVURJKSA-N 289.463 3.981 0 40 CHAB CC(C)N(C(=O)c1ccccc1-c1cnccc1N)C(C)C 2540023 KRDXCIKACUMFSP-UHFFFAOYSA-N 297.402 3.590 0 40 CHAB Fc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 2754631 AOUXPOLZNCWODL-UHFFFAOYSA-N 294.782 3.966 0 40 CHAB Brc1cccnc1Oc1ccccc1 42376389 UAGNHWZDNVZCTN-UHFFFAOYSA-N 250.095 3.636 0 40 CHAB in-vitro CCCC(=O)Nc1ccc2[nH]c(-c3ccc(C)o3)nc2c1 4901454 QXACZNURPGYVMQ-UHFFFAOYSA-N 283.331 3.870 0 40 CHAB C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)OC=O 6031036 AHZYNUWTBDLJHG-RHBQXOTJSA-N 250.382 3.791 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccncc1 6574630 YYRVGXRXRBDGBR-MDWZMJQESA-N 297.745 3.589 0 40 CHAB CC(C)CNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 6883632 XTQMODWFVCJFIG-CYBMUJFWSA-N 273.376 3.746 0 40 CHAB O=C(CSCc1ccc(F)cc1)Nc1cccc(F)c1 7146382 GWUZKVZRHZGBBG-UHFFFAOYSA-N 293.338 3.837 0 40 CHAB C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 7644490 VSGPJMNGGIBFKI-NSHDSACASA-N 291.753 3.899 0 40 CHAB O=C(OCc1csc(-c2ccco2)n1)c1cccs1 25460411 RUFZWBMOGBCVLW-UHFFFAOYSA-N 291.353 3.822 0 40 CHAB COc1ccccc1NC(=O)CCOc1cc(C)ccc1C 9512608 WZVIAMUQRCMKRL-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB CCCC(=O)Nc1cccc(Cl)c1N1CCCC1 108023519 KUCWTUPULRYHGE-UHFFFAOYSA-N 266.772 3.679 0 40 CHAB Cc1sc(N)c(C(=O)c2cccc(Cl)c2)c1C 27110140 QKHSSAJIOBXMPU-UHFFFAOYSA-N 265.765 3.832 0 40 CHAB CC(C)Cc1nc(CN(C)[C@H](C)c2ccc(F)cc2)no1 45914665 RQUSYFAFEISEPG-GFCCVEGCSA-N 291.370 3.600 0 40 CHAB CCc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 3566877 VXLVFPBQFZUCNS-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB C[C@@H]1CN(C(=S)Nc2ccccc2)N(c2ccccc2)C1 13571542 RMMJZJDYJLDOHX-AWEZNQCLSA-N 297.427 3.757 0 40 CHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccco1 6123966 MXTVLPWARMWKHL-JTQLQIEISA-N 295.791 3.730 0 40 CHAB CC(=O)Nc1ccccc1OCc1cc(C)cc(C)c1 14218169 PDJOEWPNTAGWSC-UHFFFAOYSA-N 269.344 3.841 0 40 CHAB CCCNC(=O)c1ccc(C2SCCCS2)cc1 6547013 ALIVZEFHRWOELA-UHFFFAOYSA-N 281.446 3.695 0 40 CHAB Oc1ccc(-c2csc(-c3cccs3)n2)c(O)c1 9365427 ZTDUFGQAJVTWOI-UHFFFAOYSA-N 275.354 3.950 0 40 CHAB C[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 4702918 NCEWXWHANSLPTP-UVMWJGKXSA-N 263.768 3.612 0 40 CHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccccc1 7755652 QWNOJMJAEBPQFA-VAWYXSNFSA-N 289.338 3.524 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccccc1F 7830222 NOUBHUKBBBAOSW-SNVBAGLBSA-N 275.348 3.647 0 40 CHAB COc1cc2ccccc2cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 22510047 RDBQQPIVPPMUHC-MJEQTWJJSA-N 295.382 3.767 0 40 CHAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccccc1 408803905 UPROXTHVUDUYLL-UHFFFAOYSA-N 299.350 3.589 0 40 CHAB Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)s1 96634960 CIGMQEABKDYLKA-XYOKQWHBSA-N 287.315 3.540 0 40 CHAB Cc1ccc(NC(=O)c2cncn2-c2ccccc2)cc1F 23268986 BKYKNMLDMLFZMP-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OC)C1=O 409010504 KTIQUWIWIRKKKJ-YWEFTTLKSA-N 291.372 3.530 0 40 CHAB COc1ccc(F)cc1C(=O)c1ccc(C)c(F)c1 37362399 NFWMCFBMQQUNOP-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N2CCc3ccccc32)c1C 31673652 UEMVKCUUWNBSNJ-OAHLLOKOSA-N 295.382 3.660 0 40 CHAB Cc1ccc(-c2nnc([C@H](C)N(C)Cc3ccccc3)o2)o1 521393920 GJFWYWKBSMBOHS-ZDUSSCGKSA-N 297.358 3.831 0 40 CHAB CC(C)C1CCC(NC(=O)c2ccc3n[nH]cc3c2)CC1 532423146 SIGVYQHALRXVRE-UHFFFAOYSA-N 285.391 3.508 0 40 CHAB Cc1ccc(OCc2cccc(Cl)c2)c(CO)c1 71409797 MIFUINZCXNCIKX-UHFFFAOYSA-N 262.736 3.720 0 40 CHAB Nc1ccc(-c2csc(NC(=O)C3CCCC3)n2)cc1 36736773 VRTBNNSQLRFICC-UHFFFAOYSA-N 287.388 3.521 0 40 CHAB CC(C)CC(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 71282908 QCBNJRKORREGIJ-UHFFFAOYSA-N 294.358 3.610 0 40 CHAB CSc1ccc([C@H]2CCCCN2C(C)C)cn1 72216901 QKXLLSQVJCQSRY-CYBMUJFWSA-N 250.411 3.739 0 40 CHAB CC[C@@H](C)C(=O)c1ccc(Br)cc1C 229251006 MBLPAOOULDFURU-MRVPVSSYSA-N 255.155 3.986 0 40 CHAB COc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2C)cc1 225523765 XGPSHZSCSHBADY-CQSZACIVSA-N 283.371 3.803 0 40 CHAB O=C(c1ccc(C2OCCO2)s1)C1CCCCC1 43210361 BVRRQQGZQDNZEU-UHFFFAOYSA-N 266.362 3.557 0 40 CHAB COC(=O)[C@@H](C)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223193547 QMNIFENPPOABHJ-QWHCGFSZSA-N 275.392 3.649 0 40 CHAB COc1ccccc1C(=O)NCc1ccc2ccccc2c1 45201181 JNXFNBKVBFVWGY-UHFFFAOYSA-N 291.350 3.778 0 40 CHAB O=C(CCc1c(Cl)cccc1Cl)N1CCCCC1 225343199 ZLNAJBVJZXSHCA-UHFFFAOYSA-N 286.202 3.939 0 40 CHAB Clc1ccc(-n2cnnc2)cc1-c1nc2ccccc2o1 40542243 HDVPKGLDZQVSLT-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 45204755 IGGVVPUTYUSMEG-HANOVZDXSA-N 275.436 3.898 0 40 CHAB CCOC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 41080811 LUJAMNUPOJQFLK-UHFFFAOYSA-N 290.407 3.970 0 40 CHAB CCCCc1nc(C)sc1C(=O)Nc1ccccc1O 95472432 ZPMGCVDEJDKXJR-UHFFFAOYSA-N 290.388 3.752 0 40 CHAB CCCOc1cc(Br)cc(F)c1F 95915489 DBGTWMLJBBWJJD-UHFFFAOYSA-N 251.070 3.516 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)NCCC1=CCCCC1 9477017 RCMCHVWQZBPBEG-UHFFFAOYSA-N 282.387 3.717 0 40 CHAB COc1ccc(C2CCN(Cc3cscn3)CC2)cc1 96444345 UXZXMQHVHOVJFF-UHFFFAOYSA-N 288.416 3.531 0 40 CHAB CCCn1c(CC)nc2cc(Br)ccc21 256050166 CZRKUGKDTYQXFX-UHFFFAOYSA-N 267.170 3.771 0 40 CHAB CC(C)c1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 95634419 SGAUHRAKTYYKKX-HUUCEWRRSA-N 274.360 3.884 0 40 CHAB CCCCOc1ccc(OC)cc1Br 95915436 LWXCEYUVPGVRDQ-UHFFFAOYSA-N 259.143 3.637 0 40 CHAB Cc1cc(F)c(Br)cc1Br 71790209 ZLDSERFKDDAPER-UHFFFAOYSA-N 267.923 3.659 0 40 CHAB O=C(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 51041651 SCXBSWPJJRNIHJ-UHFFFAOYSA-N 284.098 3.879 0 40 CHAB in-vitro Cc1ccc(C(C)C)c(OCC(=O)N2CCCCCC2)c1 5542634 GQBLGVQGVYZRGH-UHFFFAOYSA-N 289.419 3.900 0 40 CHAB CS[C@@H]1N=C(c2ccccc2)NC2=C1CCCC2 5919118 DKWPIOCXAMJVOY-HNNXBMFYSA-N 258.390 3.554 0 40 CHAB CCOC(=O)c1cc2scc(Br)c2s1 166639069 JAULVMAIVXDAEE-UHFFFAOYSA-N 291.191 3.902 0 40 CHAB CC(=O)c1ccc(NC(=O)N2[C@H](C)CCC[C@H]2C)cc1 20569802 SWCYIFXDLIUSEE-VXGBXAGGSA-N 274.364 3.684 0 40 CHAB CCC[C@H](NC1CCN(C)CC1)c1ccc(Cl)cc1 37267028 AKFHRIIXPAGLDO-INIZCTEOSA-N 280.843 3.865 0 40 CHAB Clc1ccc2c(c1)c(-c1ccccc1)nc1nncn12 808025 AZYMQVCFYRJMJU-UHFFFAOYSA-N 280.718 3.598 0 40 CHAB CCSc1ncnc2sc3c(c12)CCCC3 84837 VGWYZATUVZONMR-UHFFFAOYSA-N 250.392 3.682 0 40 CHAB CSc1cccc(NC(=O)N(C)Cc2ccco2)c1 40525511 LQTRJDAOMUWQEM-UHFFFAOYSA-N 276.361 3.665 0 40 CHAB COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 102198159 PJTPDGXXNRKORF-ZZCKCESHSA-N 297.398 3.571 0 40 CHAB O=C1O[C@H]([C@@H](O)c2ccc3ccccc3c2)c2ccccc21 481089 YKAHKVAXVDIUDJ-ROUUACIJSA-N 290.318 3.785 0 40 CHAB O=C(CC1CCCC1)N1CCC[C@@H]1c1cccs1 33028516 IUDCOGHTTYAZDU-CYBMUJFWSA-N 263.406 3.992 0 40 CHAB Fc1ccc(F)c(Oc2nccc(C(F)(F)F)n2)c1 78445746 AQDYALGRBKXLAJ-UHFFFAOYSA-N 276.164 3.566 0 40 CHAB Cc1csc(CP(=O)(OC(C)C)OC(C)C)n1 1644275 LOUKCFKCTPCHLU-UHFFFAOYSA-N 277.326 3.995 0 40 CHAB CCc1ccc(OCCCC(=O)Nc2nccs2)cc1 1773442 RXTYTCPLXYYSRM-UHFFFAOYSA-N 290.388 3.503 0 40 CHAB CNCCC(c1cccc(F)c1)c1cccc(F)c1 2009020 MUGNLPWYHGOJEG-UHFFFAOYSA-N 261.315 3.706 0 40 CHAB investigational COCCN(C(=O)Nc1ccccc1)c1ccccc1C 2275713 KBLOAQRFICXYAU-UHFFFAOYSA-N 284.359 3.680 0 40 CHAB CCOc1ccccc1NC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 4307283 AIWJTJUBCUJDJF-OUCADQQQSA-N 290.432 3.560 0 40 CHAB Cc1nc(C)c(C(=O)Nc2cccc(Cl)c2C)s1 7995398 SUMGQIOVGISSTK-UHFFFAOYSA-N 280.780 3.974 0 40 CHAB O=C(Nc1nc(C2CC2)cs1)c1cccc2ncccc12 25563476 QGEOIKPBLWCPAL-UHFFFAOYSA-N 295.367 3.821 0 40 CHAB CC(C)c1ccccc1NC(=O)COc1ccccc1F 3209360 RQFANUIVRFVXEM-UHFFFAOYSA-N 287.334 3.967 0 40 CHAB Cc1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1F 44698629 TUMOPWOCVJWNEP-UHFFFAOYSA-N 273.307 3.532 0 40 CHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(C)c2)s1 10093551 LYQNQRDOZJZNSX-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB C[C@H]1C2=C(O)CCCC2=Nc2nc3ccccc3n21 102663935 VFXQLUPAOKGJDT-VIFPVBQESA-N 253.305 3.679 0 40 CHAB Cc1ccc(CNC(=O)[C@H](C)Nc2cc(C)cc(C)c2)cc1 28875018 VIGWIESVLRGFCG-INIZCTEOSA-N 296.414 3.729 0 40 CHAB COc1ccccc1-c1cc(O)n(-c2cccc(C)c2)n1 10157378 GIINLMZREVYFMZ-UHFFFAOYSA-N 280.327 3.562 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cccc(OC(C)C)c2)c1 10471121 GHCGWUZNXPYSQG-UHFFFAOYSA-N 297.354 3.929 0 40 CHAB O=C(Nc1ccc(Br)cc1)c1ccsc1 19486025 FKWIXPGPVDBVGD-UHFFFAOYSA-N 282.162 3.763 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccccn2)c(Cl)c1 13003370 OBXZNCIYRAATSY-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB C[C@@H]1CC[C@H]2[C@@H](C1)c1sc(=O)[nH]c1SC2(C)C 3905269 OQJMAILQCVBBBU-HLTSFMKQSA-N 269.435 3.841 0 40 CHAB O=C(NCc1ccsc1)c1ccccc1C(F)(F)F 13698106 ZAUPGMWPYVERAF-UHFFFAOYSA-N 285.290 3.697 0 40 CHAB Cc1ccc(C(C)C)c(OCCC2CCNCC2)c1 20593597 JOVXHBTWTSKAKM-UHFFFAOYSA-N 261.409 3.887 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(n2cccc2)CC1 65551923 FULGOSZGUVVWIU-VXLLPVPCSA-N 288.435 3.914 0 40 CHAB Cc1cc(O)ccc1NC(=O)c1cccc(Cl)c1 4666269 UIAHHWUILLCNDI-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB CSc1ncnc2c1sc1nc(C)cc(C)c12 6759234 BAZGUTCMCRRJKP-UHFFFAOYSA-N 261.375 3.578 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2F)s1 9884236 MDEIGBVLRDBNEA-UHFFFAOYSA-N 297.738 3.996 0 40 CHAB CCOc1ccc(CC(=O)Nc2ccccc2C)cc1 9544573 CMIXRHLAFBFNIQ-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB O=C(Nc1ccncc1)c1ccc(COc2ccccc2)o1 17584285 OXYMDPHUYKZASN-UHFFFAOYSA-N 294.310 3.506 0 40 CHAB c1ccc(Oc2cccc(NCc3cscn3)c2)nc1 97051010 PHMDZOIYTBUFPW-UHFFFAOYSA-N 283.356 3.943 0 40 CHAB COc1ccc([C@H]2CCCN2Cc2ccccc2)c(C)n1 72218066 SKESOOXQXBALIN-QGZVFWFLSA-N 282.387 3.736 0 40 CHAB O=C(Cc1ccccc1)c1cc(Br)cs1 70598610 FARYUPLMSXILGC-UHFFFAOYSA-N 281.174 3.936 0 40 CHAB CCCN1CCCC[C@@H]1c1ccc(S)nc1C 72218398 SJBJHVZIQGJWNC-CYBMUJFWSA-N 250.411 3.616 0 40 CHAB CC(=O)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72357547 CDKFPYAJRRZQQH-AWEZNQCLSA-N 298.361 3.614 0 40 CHAB Cc1cccc2cccc(I)c12 71256872 IKHCWKTUYGFZRY-UHFFFAOYSA-N 268.097 3.753 0 40 CHAB Clc1ccc(Cl)c(COC[C@@H]2CCCCN2)c1 72203608 CLTSTSWSWNNNNQ-LBPRGKRZSA-N 274.191 3.652 0 40 CHAB Cc1ccc(C)c(CC(=O)NCCCc2ccc(F)cc2)c1 44843642 ZBTPHLXOHISZIK-UHFFFAOYSA-N 299.389 3.734 0 40 CHAB CC[C@H](NC(=O)c1cccs1)c1ccc(OC)c(C)c1 225409377 HCPUVNZDVFBYPV-ZDUSSCGKSA-N 289.400 3.946 0 40 CHAB CCOc1ccc(C(=O)NCc2cccc(C)c2)cc1C 223251224 DOKYNDYLLUANEU-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB Cc1nc(CC(C)C)oc1C(=O)N1CCCCC[C@H]1C 225603509 RNQPVGNSCJJWFL-GFCCVEGCSA-N 278.396 3.586 0 40 CHAB CC/C=C(\C)C(=O)N[C@@H](C)c1ccc(Cl)s1 47639320 QVNNVPNURGLFPZ-QRJSTWQJSA-N 257.786 3.935 0 40 CHAB Cc1ccc(CN(C)C(=O)c2ccccc2C)cc1 45825028 OIUPOGVNBXNHCX-UHFFFAOYSA-N 253.345 3.576 0 40 CHAB Cc1ccc(CCC(=O)NCC2CCCCC2)cc1 224039009 OLYCQCKZSFPDCK-UHFFFAOYSA-N 259.393 3.624 0 40 CHAB CCc1nn2cc(-c3cc(C)ccc3C)nc2s1 40963561 GGRQJARECIHSEF-UHFFFAOYSA-N 257.362 3.637 0 40 CHAB CCCCn1c(C)c(CN)c2cc(OCC)ccc21 223756036 CSEAJROZHRQXAJ-UHFFFAOYSA-N 260.381 3.607 0 40 CHAB COc1cc(C(C)=O)ccc1SCc1c(C)noc1C 96483410 CCZABFDLKPOIBZ-UHFFFAOYSA-N 291.372 3.795 0 40 CHAB O=C(NCc1ccnc(-c2cccs2)c1)[C@@H]1CC=CCC1 244975066 IAHKRYPLZOMYKC-CQSZACIVSA-N 298.411 3.783 0 40 CHAB O=C(O)C1(c2cccc3cc(Br)ccc23)CC1 259926321 PUWADYPWPZUALG-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB COc1cc(C(=O)CC(C)C)ccc1Br 379789990 FHVKRMZJSJIZIQ-UHFFFAOYSA-N 271.154 3.687 0 40 CHAB Fc1ccccc1CSCCNc1cncc(Cl)n1 48892987 CXKYGXBXIRVVLY-UHFFFAOYSA-N 297.786 3.614 0 40 CHAB O=C(OCCCC(F)(F)F)OCCCC(F)(F)F 114208203 WOXFPOXZAWFGJU-UHFFFAOYSA-N 282.180 3.825 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 15331012 PRZFFQKVQKEQET-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB CCOc1ccccc1NC(=O)c1ccc(C)c(OC)c1 15582151 WATIUJYTLYDHCV-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB NN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 19169196 LRBFVUUROAWBRZ-UHFFFAOYSA-N 280.293 3.581 0 40 CHAB c1ccc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)cc1 19372000 OGHBOGBOSGIMDF-KRWDZBQOSA-N 277.371 3.900 0 40 CHAB CCC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 4340114 AVHZPPKFXUYCRN-UHFFFAOYSA-N 294.306 3.775 0 40 CHAB biogenic COc1cc(SC)ccc1C(=O)Oc1cccc(F)c1 6079119 MGHRACMEZKNBJI-UHFFFAOYSA-N 292.331 3.775 0 40 CHAB CN1c2ccccc2C(=O)N[C@H]1c1cccc2ccccc12 21360649 DEGQPCRRWNVVES-GOSISDBHSA-N 288.350 3.718 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 3608498 QSXVNLXHGMSSGP-MRXNPFEDSA-N 269.319 3.633 0 40 CHAB O=C(NC1CCCC1)N1CCC[C@H]1c1cccs1 30983937 BMENXZNKJLRGCC-LBPRGKRZSA-N 264.394 3.537 0 40 CHAB Cc1cccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)c1 4061474 DSJRGWLWSVBPBA-UHFFFAOYSA-N 292.382 3.725 0 40 CHAB O=C(Nc1cccnc1)N1CCC[C@@H]1c1cccs1 40474192 GQOZCIHLRJOOFN-GFCCVEGCSA-N 273.361 3.512 0 40 CHAB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2cc[nH]c2c1 20535864 VSYXKCPDXLBYGA-UHFFFAOYSA-N 296.286 3.720 0 40 CHAB CCn1ncc2c(C(F)F)cc(-c3ccco3)nc21 20603643 LVNKNDHOHBOPRO-UHFFFAOYSA-N 263.247 3.649 0 40 CHAB c1ccc(-c2ccc(CNCCN3CCCC3)cc2)cc1 21012669 BZOOZRPFPNIXKI-UHFFFAOYSA-N 280.415 3.539 0 40 CHAB COc1ccc(-c2cccc(C(=O)OC(C)C)c2)cc1 351858 LBNMFDGOUHJAGR-UHFFFAOYSA-N 270.328 3.927 0 40 CHAB CC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 60728 XBIJZNBGMGMZBR-UHFFFAOYSA-N 272.175 3.866 0 40 CHAB CCC(=O)Nc1cc2ccccc2cc1NC(=O)CC 138787 XASXBDNZLQHECY-UHFFFAOYSA-N 270.332 3.537 0 40 CHAB CCCC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 200817 KOUQIWZCZXNEEP-GFCCVEGCSA-N 273.380 3.595 0 40 CHAB CCCC(=O)N(C1=C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 712003 SYSPQRFVFQBMND-JKSUJKDBSA-N 284.403 3.570 0 40 CHAB COc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 1286894 XYEQCKUYHAAPPB-UHFFFAOYSA-N 277.327 3.896 0 40 CHAB CCCOC(=O)Nc1ccc(N2CCCCC2)cc1 1800739 JJXHRSZWSVVYDC-UHFFFAOYSA-N 262.353 3.635 0 40 CHAB CCCOc1ccc(C2=CSC3=NCCN23)cc1Cl 2445659 VWJJDNBPVIMITE-UHFFFAOYSA-N 294.807 3.846 0 40 CHAB Cc1nc2ccc(NC(=O)Cc3cccs3)cc2s1 2624509 AQTUEXMFJLRPJY-UHFFFAOYSA-N 288.397 3.847 0 40 CHAB Cc1ccc(-c2nnc(COc3ccccc3)o2)cc1 3155238 IZQPJJQMLXUHQN-UHFFFAOYSA-N 266.300 3.624 0 40 CHAB O=C1N(c2ccccc2)[C@H](c2ccc(F)cc2)C1(F)F 3182918 AEZVMCHXNAYUGS-CYBMUJFWSA-N 277.245 3.549 0 40 CHAB CCc1ccc(C(=O)COc2ncnc3sccc23)cc1 3285315 CTPGOXMYZLOLNP-UHFFFAOYSA-N 298.367 3.515 0 40 CHAB Cc1sc([C@@H](C)N)nc1-c1ccc(Cl)cc1 3708660 XYPLJIPSPRVZHJ-SSDOTTSWSA-N 252.770 3.792 0 40 CHAB O=C(Nc1nc(-c2ccncc2)cs1)C1CCCCC1 4063224 CFBKYIJKBHPRMY-UHFFFAOYSA-N 287.388 3.724 0 40 CHAB C[C@H]1Cc2ccccc2N1Cc1nnc(-c2ccccc2)o1 4414418 OSANNWTYLGSARU-ZDUSSCGKSA-N 291.354 3.688 0 40 CHAB O=C(NCc1cccc2ccccc12)c1ccc(F)cc1 4889155 CTIUWYCDDSAQGM-UHFFFAOYSA-N 279.314 3.909 0 40 CHAB Cc1ccc(/C=C2\C(=O)N(C)c3ccccc32)s1 6431454 MAQRXUACXIOKJS-LCYFTJDESA-N 255.342 3.574 0 40 CHAB CC(C)(C)NCC(=O)Nc1ccccc1-c1ccccc1 7990223 AZSIORXRELOTTR-UHFFFAOYSA-N 282.387 3.680 0 40 CHAB Cc1ccc(/C=C/C(=O)NCc2ccccc2Cl)cc1 8034540 JWFPAWCHTKGPEK-ZHACJKMWSA-N 285.774 3.978 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(F)c2)c(C)c1 8041655 STLROOOWNWINAX-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CC(=O)c1cccc(NC(=O)/C=C/c2ccsc2)c1 8943330 OEIHXPIHHVZEHH-AATRIKPKSA-N 271.341 3.603 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1cccc2ncccc12 13011865 PARNJZAQORNRDY-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB Cc1ccccc1NC(=S)Nc1ccc2cn[nH]c2c1 13878956 ULUKGECVKOUCSQ-UHFFFAOYSA-N 282.372 3.680 0 40 CHAB O=C(NCCCc1ccccc1)Nc1ccc(F)cc1 18177843 KIBRHUVDYSNPSZ-UHFFFAOYSA-N 272.323 3.580 0 40 CHAB Cc1ccccc1Cn1cc(C(=O)O)c2ccccc21 21517835 CWSHVOUWKKOCBR-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB CCOc1ccc(-n2c(C)c(C=O)c(CC)c2C)cc1 22122234 NTECLBCTBZHORM-UHFFFAOYSA-N 271.360 3.868 0 40 CHAB CC[C@H](NC(=O)NCC1CC1)c1ccc(Cl)cc1 25089247 PWGAWRVAQXNIEQ-ZDUSSCGKSA-N 266.772 3.500 0 40 CHAB Nc1ccc2nc(-c3ccc(Br)cc3)oc2c1 31899433 MQVRBXUNADWMPU-UHFFFAOYSA-N 289.132 3.840 0 40 CHAB Cc1cc(NC(=O)c2cccs2)n(C2CCCC2)n1 32610564 RNQQAEVVKJZMKL-UHFFFAOYSA-N 275.377 3.620 0 40 CHAB O=C(Nc1ccccc1O)c1ccc2c(c1)CCCC2 32855804 QSOPGEAHWLNAMZ-UHFFFAOYSA-N 267.328 3.523 0 40 CHAB c1ccc(-n2cc(CN3CCCc4ccccc43)cn2)cc1 32863639 PITYEPZWKZYGNF-UHFFFAOYSA-N 289.382 3.825 0 40 CHAB O=C(O)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 33540902 WDBAMISJJOVPEV-UHFFFAOYSA-N 288.155 3.744 0 40 CHAB CCc1nc(NC(=O)Cc2ccc(C)cc2)sc1C 40119001 LZVIGAWNQYGORN-UHFFFAOYSA-N 274.389 3.504 0 40 CHAB CC(C)c1noc(CN2CCC[C@@H]2c2cccs2)n1 42356306 PSMVXANUAOIITF-LLVKDONJSA-N 277.393 3.592 0 40 CHAB Cc1nc2cc(NC(=O)c3ccc4cc[nH]c4c3)ccc2[nH]1 43008588 LPGRALLDVXFKRG-UHFFFAOYSA-N 290.326 3.605 0 40 CHAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc2cnccc12 43168382 DLABHSXYEFDIIR-BETUJISGSA-N 298.390 3.534 0 40 CHAB CCc1cc(N)cc(C)c1NC(=O)c1ccccc1C 45888420 AJDQFUPQHVOKEP-UHFFFAOYSA-N 268.360 3.700 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc(OC(F)F)c1 48259118 RPQCEOBOXQVXEB-JTQLQIEISA-N 267.275 3.583 0 40 CHAB CCSc1ccccc1NS(=O)(=O)c1cccs1 48655673 SGBAMKMNHSLDPI-UHFFFAOYSA-N 299.442 3.661 0 40 CHAB COCc1nc(-c2c(C)[nH]c3ccccc23)cs1 49079404 NGPUJFXDQIBUNE-UHFFFAOYSA-N 258.346 3.746 0 40 CHAB CCc1ccc2cc(C(=O)O)n(Cc3ccccc3)c2c1 67799480 UIZCZSHAMPIIOT-UHFFFAOYSA-N 279.339 3.950 0 40 CHAB CCCN1CCCC[C@H]1c1ccc(OC(C)C)nc1 72211918 FAXOELMBIDKOOE-HNNXBMFYSA-N 262.397 3.806 0 40 CHAB CCN1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 72212011 NAWKIGLSDYEGQW-KRWDZBQOSA-N 282.387 3.817 0 40 CHAB Cc1nc(N2CCCCC2)ccc1C(=O)c1ccccc1 72224543 VJDMIVWAMCSWNC-UHFFFAOYSA-N 280.371 3.611 0 40 CHAB COc1cccc(CN(C)[C@H](C)c2cccc(OC)c2)c1 72277123 TZNZQFRVGHTXTG-CQSZACIVSA-N 285.387 3.897 0 40 CHAB Cc1cc(C(=O)Nc2cccc(Cl)c2)c(C)n1C 74701976 CTRDTODUADMELU-UHFFFAOYSA-N 262.740 3.548 0 40 CHAB c1ccc2c3c(ccc2c1)[C@@H](NCc1cc[nH]n1)CCCO3 84055931 NLUGGGLDQLFEFU-KRWDZBQOSA-N 293.370 3.566 0 40 CHAB Cc1ccc(-c2noc(-c3ccc(N)cc3)n2)c(C)c1 89262402 XVTDJGJBGPFBHQ-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB Clc1cc(Br)ccc1N1CCCC1 95915808 LTWXVSBFADHJNQ-UHFFFAOYSA-N 260.562 3.703 0 40 CHAB CC(C)n1cc(C(=O)Nc2ccccn2)c2ccccc21 96232324 LCKVPSGBSFWLCP-UHFFFAOYSA-N 279.343 3.870 0 40 CHAB CS[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 98010359 VXMBOZWFLWUUHA-ZETCQYMHSA-N 254.742 3.814 0 40 CHAB O=[S@](C1=C[C@@H]2C[C@@H]1C1=C2[C@H]2C=C[C@H]1C2)c1ccccc1 101037611 XDWNQKXWIIDWPR-AGNZOJHFSA-N 280.392 3.830 0 40 CHAB S=C(Nc1ccccc1)NC12C[C@@H]3CC1C[C@H](C3)C2 113559958 XHJUEBJSTXGGMN-HSWOEZIZSA-N 272.417 3.552 0 40 CHAB CC[C@H](C(=O)OC)N1c2ccccc2[C@@H](C)CC1(C)C 223199972 UPYAGBPDYXVJCD-GXTWGEPZSA-N 275.392 3.730 0 40 CHAB CCC(CC)NC(=O)COc1cc(C)ccc1C(C)C 225673057 JKNIGHIRNANZPD-UHFFFAOYSA-N 277.408 3.802 0 40 CHAB c1ccn(-c2ccc3oc(-c4ccncc4)nc3c2)c1 226246859 GFFCWMFFIUXHDQ-UHFFFAOYSA-N 261.284 3.681 0 40 CHAB CCc1cc(N)ccc1NC(=O)c1cc2ccccc2o1 226317298 QTBXNCXFJXKEEH-UHFFFAOYSA-N 280.327 3.830 0 40 CHAB Cc1cc(C=O)cc(C)c1OC(=O)c1ccccc1Cl 256053453 RNFKWCLQFMZWTG-UHFFFAOYSA-N 288.730 3.989 0 40 CHAB CCCn1nccc1-c1cccc([C@H]2CCCN2C(C)C)n1 257333898 YDOXMKLIDPCZCG-QGZVFWFLSA-N 298.434 3.900 0 40 CHAB CCCc1ccc(C(=O)C(F)(F)Br)cc1 382702448 PNAOQLPVVOUYHR-UHFFFAOYSA-N 277.108 3.810 0 40 CHAB CC(C)CN1C(=O)/C(=C\c2ccc(O)cc2)c2ccccc21 409114093 IQAGSKVJETZZPF-BOPFTXTBSA-N 293.366 3.935 0 40 CHAB CCCN1C(=O)/C(=C\c2ccc(O)cc2)c2ccccc21 409120077 UZECPNSZXBEAOK-VBKFSLOCSA-N 279.339 3.689 0 40 CHAB COC(=O)CCCCC(=O)c1cccc(C(F)(F)F)c1 575358807 DSFXTCSLNMEBOY-UHFFFAOYSA-N 288.265 3.622 0 40 CHAB COc1cccc2c(=O)c(C(C)C)c(C3CC3)[nH]c12 685938128 DCNLAOIYBDAFPU-UHFFFAOYSA-N 257.333 3.538 0 40 CHAB CC(C)(C)NC(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775972242 DWSVXYYYFIZRDK-KBPBESRZSA-N 262.397 3.602 0 40 CHAB COc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1C 575118 DBRXOBXKHLZWBG-RVDMUPIBSA-N 279.339 3.521 0 40 CHAB O=C(O)/C=C/c1c(Cl)ccc(Cl)c1Cl 2504964 WUAIMCPHZXEEDY-DAFODLJHSA-N 251.496 3.745 0 40 CHAB Oc1ccc(C(F)(F)C(F)(F)c2ccc(O)cc2)cc1 2529860 YFWMKHJNNZCGHF-UHFFFAOYSA-N 286.224 3.982 0 40 CHAB COc1cc(OC)cc(C(=O)Nc2c(C)cc(C)cc2C)c1 3094687 AVOKADQCOMGFAQ-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB O=C(O)Cc1ccc(NCc2ccccc2Cl)cc1 4636460 VXRROBCBHWAZEM-UHFFFAOYSA-N 275.735 3.579 0 40 CHAB CCC[C@@H]1O[C@@H](c2ccc3c(c2)OCO3)OC[C@H]1CC 4682988 UKWMCOIACMBUOZ-FFSVYQOJSA-N 278.348 3.656 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 8040648 RCEBOHMGPVIGTK-NSHDSACASA-N 291.297 3.679 0 40 CHAB O=C(CCn1ccc2ccccc21)NC1CCCCCC1 8133531 OIANLVMNGWUKBV-UHFFFAOYSA-N 284.403 3.870 0 40 CHAB CCCCOC(=O)c1cccc(-c2ccc(C(=O)O)o2)c1 8729569 VUSQJBWBUVWOFM-UHFFFAOYSA-N 288.299 3.602 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)CC1(C(=O)O)CCCC1 8922250 ZUIOCAJOGRMIMM-UHFFFAOYSA-N 295.766 3.622 0 40 CHAB CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1 10277089 XJNWBEXTANUZFC-UHFFFAOYSA-N 275.735 3.991 0 40 CHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc2ccccc2c1 13228397 CYRXAOOLRGJZDD-UHFFFAOYSA-N 287.322 3.968 0 40 CHAB NC(=S)c1c(Cl)cc(C(F)(F)F)cc1Cl 13658593 ZXZUKFXTMAIPTC-UHFFFAOYSA-N 274.094 3.646 0 40 CHAB Cc1ccc(NC(=S)Nc2cccc(C(=O)O)c2)cc1 13795596 XIMVRVPZRHUZDC-UHFFFAOYSA-N 286.356 3.502 0 40 CHAB O=C1c2ccc(Cl)cc2CCc2cc(Cl)cnc21 22057001 DWTNZSPULCBHRI-UHFFFAOYSA-N 278.138 3.718 0 40 CHAB in-vitro CN(C/C=C/c1ccccc1)CCc1ccccc1 27911709 BUCJRDNLWSHRGQ-MDWZMJQESA-N 251.373 3.874 0 40 CHAB CCCn1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 28243362 VNTUAOXUVBTQFP-UHFFFAOYSA-N 298.173 3.852 0 40 CHAB O=[N+]([O-])c1ccc2c(Cl)c3c(nc2c1)CCCC3 34523656 UNGZTFAWTHSZIV-UHFFFAOYSA-N 262.696 3.675 0 40 CHAB CC(C)NCc1ccc(Br)cc1Cl 37366880 UPGMKSDQNAHMTF-UHFFFAOYSA-N 262.578 3.601 0 40 CHAB Cc1n[nH]cc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 37898562 XBBKJZBBNCYZPY-SECBINFHSA-N 283.297 3.588 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc2ncccc12 40023827 CHGCFKGEPIZJPM-TZMCWYRMSA-N 283.375 3.935 0 40 CHAB CC1CCN(Cc2ccc(F)cc2Br)CC1 42229630 YKIVHDQHFNQPAG-UHFFFAOYSA-N 286.188 3.820 0 40 CHAB O=C(c1cccc2[nH]ccc12)N1CCC[C@@H]1C1CCCC1 45091770 JKFDSFJIUUCMRZ-QGZVFWFLSA-N 282.387 3.963 0 40 CHAB COc1cccc2c(Oc3cccc(N)c3)ccnc12 64875308 PRXHFBMPRCZEOT-UHFFFAOYSA-N 266.300 3.618 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@@]43C)[C@@H]1CCC2=O 67664881 DYMROBVXGSLPAY-LUJOEAJASA-N 288.431 3.735 0 40 CHAB in-vitro Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 71863620 YBCLWAOTYXDSHI-HNNXBMFYSA-N 283.371 3.560 0 40 CHAB CC(C)(C)c1ccc(CCC(=O)NCCn2cccc2)cc1 72306348 ZMZQHNRNJWRMNQ-UHFFFAOYSA-N 298.430 3.535 0 40 CHAB CC[C@@H](CO)N(Cc1cccc(F)c1F)c1ccccc1 72308106 URWFVWNWDLBKPU-AWEZNQCLSA-N 291.341 3.742 0 40 CHAB CC(=O)N1CCC[C@@H](c2ccc(-c3ccccc3C)cn2)C1 72364884 ZEXWQNDYYIIELB-QGZVFWFLSA-N 294.398 3.783 0 40 CHAB Cc1cnc(C[S@@](=O)Cc2cccc3ccccc23)o1 85223975 MWACUEPKVBMMAL-HXUWFJFHSA-N 285.368 3.585 0 40 CHAB O=C(c1ccc(Cl)cn1)N1CCC[C@@H]2CCCC[C@H]21 89794260 NYRMUJRRSBOLAE-SMDDNHRTSA-N 278.783 3.530 0 40 CHAB CCc1nnc(O)c(-c2nc(C(C)(C)C)cs2)c1CC 95468747 FLSYJVGDYAUYRL-UHFFFAOYSA-N 291.420 3.728 0 40 CHAB O=Cc1cccc(COc2ccc(OC(F)(F)F)cc2)c1 95740105 JKKAEGUPJYNUBH-UHFFFAOYSA-N 296.244 3.977 0 40 CHAB COc1ccc(Br)c2sc(Cl)nc12 95950045 FQKXANHZLLLXJG-UHFFFAOYSA-N 278.558 3.721 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)o1 102190834 GZIDGWCEDDCBQF-GAHHVOBISA-N 273.376 3.542 0 40 CHAB CN(C(=O)Cc1ccc(Cl)cc1F)c1ccccc1 169831123 CHMGIHCGBKLDEX-UHFFFAOYSA-N 277.726 3.685 0 40 CHAB CCCn1c(C)c(C(C)=O)c2cc(OCC)ccc21 223771948 ITEGDXFTFBVNPY-UHFFFAOYSA-N 259.349 3.961 0 40 CHAB C[C@@H]1CCCN(c2cc(N)cc(C(F)(F)F)c2)C1 228919704 TWARMSUKHAGDJO-SECBINFHSA-N 258.287 3.524 0 40 CHAB N#Cc1cnccc1Oc1ccccc1Br 399343975 AUUTVXUSTJHKAQ-UHFFFAOYSA-N 275.105 3.508 0 40 CHAB Cc1csc(C(=O)NCc2cncc(-c3ccoc3)c2)c1 575620788 QARCQFPJSRDELL-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB O=C(c1cc2ccccc2o1)N1CCC2(CC1)CC2(F)F 618256474 IWPVBAZXGFNVAJ-UHFFFAOYSA-N 291.297 3.694 0 40 CHAB O=C(O)c1cc(-c2ccccc2Oc2ccccc2)on1 1857794151 YGZCRNIATZPTCF-UHFFFAOYSA-N 281.267 3.832 0 40 CHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(F)cc1 250126 JFRGJRZHPPRCGP-NSHDSACASA-N 287.309 3.946 0 40 CHAB O=C1CS[C@H](c2cccs2)N1c1ccc(F)cc1F 424063 IUPQPYNSYSCYBU-CYBMUJFWSA-N 297.351 3.805 0 40 CHAB Cc1nc(NCc2cccnc2)c2c(C)c(C)sc2n1 753858 JMRDPMKOXQBYFJ-UHFFFAOYSA-N 284.388 3.624 0 40 CHAB c1ccc(Cn2c(-c3ccccc3)c[n+]3ccccc23)cc1 1609533 USBOPVSBCQQNIW-UHFFFAOYSA-N 285.370 3.942 0 40 CHAB CC(C)CCOC(=O)COc1ccc(Cl)cc1Cl 1628215 POODQSZNUBKSCT-UHFFFAOYSA-N 291.174 3.962 0 40 CHAB CCCCOC(=O)Nc1nc2ccc(C)cc2s1 1777509 MBNOCVDFHFNNNN-UHFFFAOYSA-N 264.350 3.953 0 40 CHAB OC1=Nc2cc(Cl)ccc2O[C@]1(Cl)C(F)(F)F 2066524 ISHXNSGFMGVRPZ-QMMMGPOBSA-N 286.036 3.818 0 40 CHAB COc1cc(C(=O)Nc2ccc(C)cc2)cc(OC)c1C 2630268 WAKSARZOCVWPIG-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB O=C(O)c1ccccc1Nc1ccc(OC(F)F)cc1 3282889 VATLFRMTHALRQT-UHFFFAOYSA-N 279.242 3.730 0 40 CHAB Cc1csc(S[C@H](C)C(=O)NCC2CCCCC2)n1 3435185 BSDGKYXGTMXDCW-LLVKDONJSA-N 298.477 3.629 0 40 CHAB C[C@@H](c1ccccc1)N1C(=O)CS[C@@H]1c1ccc(O)cc1 5515691 FNWJXJUQGDYTCV-YVEFUNNKSA-N 299.395 3.727 0 40 CHAB OC[C@@H]1CCCN(C2CCCCC2)[C@H]1c1ccccc1 5775432 OSJBIUWOUITRHG-WMZOPIPTSA-N 273.420 3.765 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccccc1 6175386 XGZOCTMNPUCEJS-INIZCTEOSA-N 281.399 3.757 0 40 CHAB Cc1ccc2[nH]c([C@@H]3CC[C@](C)(C(=O)O)C3(C)C)nc2c1 6413533 OBWBVBGCJSKNJY-APPDUMDISA-N 286.375 3.866 0 40 CHAB C[C@@H](NC(=O)c1ccoc1)c1ccc2c(c1)CCCC2 9256204 FDUHTLODMAXASG-GFCCVEGCSA-N 269.344 3.649 0 40 CHAB COc1ccccc1NC(=O)NCC1(c2ccccc2)CC1 10258918 RJPXWMRLFSPYNX-UHFFFAOYSA-N 296.370 3.549 0 40 CHAB Cc1cccc(NC(=O)Nc2ccc(N3CCCC3)nc2)c1 10464293 AGNJRYHVXVGYPF-UHFFFAOYSA-N 296.374 3.634 0 40 CHAB Cc1ccc(NC(=S)N[C@@H]2CCCC[C@H]2C)c(O)c1 10751571 JCMZNVZQFKKSKZ-VXGBXAGGSA-N 278.421 3.566 0 40 CHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cccs1 11204320 MEGHWKHNXDMEIM-AWEZNQCLSA-N 257.358 3.629 0 40 CHAB COc1cccc(CC(=O)N[C@H](c2ccccc2)C2CC2)c1 11206467 VUWVQUFUBGPHOD-LJQANCHMSA-N 295.382 3.505 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2nc3c(s2)CCC3)c1 12912930 VQPZFIHVIYUUBY-UHFFFAOYSA-N 272.373 3.501 0 40 CHAB Cc1cnc(NC(=O)c2occc2-c2ccccc2)s1 13021639 CIIDGGZCGSQECI-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB Cc1ccc(-c2cc(-c3ccc(F)cc3)n[nH]2)c(O)c1 13126631 ZRVVXIGRKYZYGG-UHFFFAOYSA-N 268.291 3.897 0 40 CHAB CC[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13557610 KHTKXJOBMFMBOM-SJLPKXTDSA-N 278.355 3.966 0 40 CHAB Cc1cc(C)cc(NC(=O)N[C@@H](C)c2cccnc2)c1 13744303 DROLAQFXJBRBHS-ZDUSSCGKSA-N 269.348 3.581 0 40 CHAB Cc1nn(C)c(Cl)c1C(=O)Nc1ccc2ccccc2c1 14207995 LEHDSSTWGUTDMR-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1c(F)cccc1F 15011175 WTDCBGIFHXQJDT-MDZDMXLPSA-N 259.255 3.617 0 40 CHAB COc1ccc([C@@H](N)c2ccccc2Cl)c(C)c1 19972055 YFVMDLXWNUANBF-OAHLLOKOSA-N 261.752 3.705 0 40 CHAB in-vitro Nc1cccc2c(Cl)c(C(=O)N3CCCCC3)sc12 20160127 JULCORWZUHTYOP-UHFFFAOYSA-N 294.807 3.763 0 40 CHAB COc1ccc(-n2nccc2-c2ccccc2)cc1 20635952 GOYIVRCKLAUIBF-UHFFFAOYSA-N 250.301 3.548 0 40 CHAB COCc1cccc(NC(=O)CCCOc2ccccc2)c1 25334799 ZUXBIERTEXYDFG-UHFFFAOYSA-N 299.370 3.631 0 40 CHAB Cc1cc(C(=O)N(Cc2ccccn2)C2CC2)sc1C 40047384 OAXNDMHPWSUIQO-UHFFFAOYSA-N 286.400 3.565 0 40 CHAB CCN(CC)c1nc(N2CCCCCC2)c2ccccc2n1 41149295 PGEURBOAYCWRCX-UHFFFAOYSA-N 298.434 3.856 0 40 CHAB Cc1noc([C@@H](C)Nc2ccc3c4c(cccc24)CC3)n1 44586718 VRQFWJVNMHQGGT-SNVBAGLBSA-N 279.343 3.803 0 40 CHAB Cc1cccc(N(C)C(=O)c2c[nH]c3ccccc23)c1 49991626 DOJKQOMZFORIDU-UHFFFAOYSA-N 264.328 3.753 0 40 CHAB CC[C@H](NC(=O)CCc1nccs1)c1ccc(C)cc1 65616042 HQUDEHIXGCZOHA-AWEZNQCLSA-N 288.416 3.652 0 40 CHAB Cc1ccc(OCc2ccc(F)cc2Cl)c(CO)c1 71409751 SOWBXDFAKSVJJE-UHFFFAOYSA-N 280.726 3.859 0 40 CHAB CCCN1CCCC[C@H]1c1cccnc1NC1CCC1 72213917 WIIPSPUJVRHJEB-INIZCTEOSA-N 273.424 3.983 0 40 CHAB Cn1cc(CCCC(=O)Nc2ccncc2)c2ccccc21 72404748 BLUNAUZBZCDPCS-UHFFFAOYSA-N 293.370 3.535 0 40 CHAB Cc1ccc(CNCCc2coc(-c3ccccc3)n2)o1 75128317 CLEXWAJCDKLTML-UHFFFAOYSA-N 282.343 3.575 0 40 CHAB CC(C)(C)OC(=O)NCc1ccc(OC(F)(F)F)cc1 82609331 FVCXXXSNXQFQKR-UHFFFAOYSA-N 291.269 3.610 0 40 CHAB C[C@@H](O)c1cc(Br)cc(C(F)(F)F)c1 91252071 ZAMLJWRQAZAASU-RXMQYKEDSA-N 269.060 3.521 0 40 CHAB COc1cc(C(=O)c2cc(C)c(C)cc2C)ccc1F 95917386 RGOOGZZWLKCGOV-UHFFFAOYSA-N 272.319 3.991 0 40 CHAB CC(C)CN1CCC[C@@]2(CCN(Cc3cccs3)C2)C1 96215260 WKNRVMJQSOEODR-QGZVFWFLSA-N 292.492 3.692 0 40 CHAB CSc1c(F)cc(NCc2cncs2)cc1F 97106920 ZOKSVBNXMUDJOX-UHFFFAOYSA-N 272.345 3.755 0 40 CHAB C[C@@H](c1cccnc1)N(C)Cc1ncccc1C(F)(F)F 97375274 ITEZIHLTDOUEFW-NSHDSACASA-N 295.308 3.688 0 40 CHAB CCO[P@@]1(=O)C=C(C)N(C)[C@H]1c1ccccc1 254305415 QOLMNTZCLSEOSB-DYVFJYSZSA-N 251.266 3.807 0 40 CHAB c1cc(Nc2nc3ccccc3s2)nc([C@@H]2CCCN2)c1 2037873561 WMIVZVHPKUZVDI-NSHDSACASA-N 296.399 3.859 0 40 CHAB Cc1c(Cl)cccc1N[C@@H]1OC(=O)c2ccccc21 91767 IMZUEPVAGYCXHE-CQSZACIVSA-N 273.719 3.930 0 40 CHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)c1ccc2ccccc2c1O 268999 PEAHXHATDQRGOQ-KGLIPLIRSA-N 298.338 3.619 0 40 CHAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1 516076 CDYKYYIXNQRFFI-UHFFFAOYSA-N 289.338 3.704 0 40 CHAB Cc1cc(C)n([C@H]2CCCC[C@H]2OC(=O)c2ccccc2)n1 552183 HERYUPICABEHNB-DLBZAZTESA-N 298.386 3.841 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 579760 MCWLSPBSNBRIJR-JTQLQIEISA-N 293.725 3.885 0 40 CHAB CCCCCSc1nnc2c3ccccc3n(C)c2n1 2474069 LLNYKEZRPHWLTG-UHFFFAOYSA-N 286.404 3.799 0 40 CHAB Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1 3547930 DHXCKBDKNLIVGW-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB COc1cc(-n2ccnc2SC)c(Cl)cc1Cl 4024050 IVBXVLALTRVHEF-UHFFFAOYSA-N 289.187 3.910 0 40 CHAB CCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4028196 VNWHTNXTGKWONG-JKSUJKDBSA-N 281.440 3.765 0 40 CHAB biogenic Cc1ccc2cc(CN[C@H]3CCCC[C@H]3C)c(=O)[nH]c2c1 4130450 FRGXALQPKZYEGR-CJNGLKHVSA-N 284.403 3.505 0 40 CHAB O=C(O)[C@H](Nc1ccccc1F)c1ccc(Cl)cc1 4253462 SMBRZKRAJHJDHA-CYBMUJFWSA-N 279.698 3.717 0 40 CHAB Cc1ccc2c(c1C)NC(=O)C[C@@H]2c1ccc(F)cc1 4488965 HSUDDCMNSIVDTP-OAHLLOKOSA-N 269.319 3.917 0 40 CHAB CCCCOc1ccc(C(=O)NCc2ccccc2)cc1 5420581 DCXHWUJUEZJOIN-UHFFFAOYSA-N 283.371 3.796 0 40 CHAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(Cl)c1 7139168 OXFTZUGGCOJIBB-SNVBAGLBSA-N 299.761 3.707 0 40 CHAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1cccs1 8762549 XUHSHOCTPZUDEY-VIFPVBQESA-N 288.397 3.849 0 40 CHAB COC(=O)c1ccc(Oc2ccc(Cl)cc2N)cc1 12505663 RUJXFGRLQBEHGL-UHFFFAOYSA-N 277.707 3.501 0 40 CHAB Oc1ccc(Cl)cc1-c1cc(-c2ccco2)[nH]n1 13120269 DBFZTTDBQHHVGE-UHFFFAOYSA-N 260.680 3.696 0 40 CHAB CC[C@@H](c1ccc(F)cc1)n1cncc1-c1cn(C)nc1C 19719513 KYCZOQFKJUIUGZ-INIZCTEOSA-N 298.365 3.731 0 40 CHAB CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(N)c1 19736047 GQYFFWJFMFJJJU-UHFFFAOYSA-N 298.386 3.584 0 40 CHAB Fc1ccc(-c2nc(Cl)n(-c3ccc(F)cc3)n2)cc1 22125411 YACBXJGPOBEXTA-UHFFFAOYSA-N 291.688 3.866 0 40 CHAB N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 22562892 DKVHEFKXNOALTI-AWEZNQCLSA-N 299.267 3.923 0 40 CHAB in-vitro C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1cccs1 23265449 JKHHCUCCEFBQEY-OIBJUYFYSA-N 278.204 3.509 0 40 CHAB O=C(C[C@H]1C=CCC1)N1CCc2[nH]c3ccc(F)cc3c2C1 25530710 LKJMQKDINXRADX-LBPRGKRZSA-N 298.361 3.548 0 40 CHAB Cc1ccc(CN(C)C(=O)[C@@H]2Cc3ccccc3S2)cc1 37133376 PVHRVUAIKPRKJQ-KRWDZBQOSA-N 297.423 3.670 0 40 CHAB O=C1CCCC[C@H]1Cc1cccc(Br)c1 41384413 UEMKQMFYDBGWGW-NSHDSACASA-N 267.166 3.751 0 40 CHAB Cc1cc(NC2CCCC2)ncc1Br 42783961 GYOMQEHRSOLMLF-UHFFFAOYSA-N 255.159 3.507 0 40 CHAB CCOc1ccc(C(=O)c2cc(F)ccc2C)cc1 55200438 SKNFBBNELDKHDJ-UHFFFAOYSA-N 258.292 3.764 0 40 CHAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1ccncc1 57561378 HBXLZUYGHULMNY-HNNXBMFYSA-N 286.762 3.712 0 40 CHAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cscn1 63474933 IRERMFGJJRWVQH-ZDUSSCGKSA-N 292.791 3.678 0 40 CHAB [O-][n+]1ccccc1SCc1csc(C2CCCC2)n1 64023743 MQQAYIQPSNJVRK-UHFFFAOYSA-N 292.429 3.726 0 40 CHAB CCCCN1CCCC[C@H]1c1ccc(S)nc1 72217026 QRHUSMKDWZNPFM-ZDUSSCGKSA-N 250.411 3.697 0 40 CHAB N[C@@H](c1ccccc1)c1ccc(NCc2ccccc2)nc1 72225356 UOROBKBCBIDAJN-IBGZPJMESA-N 289.382 3.742 0 40 CHAB Nc1ccc(-c2nc3ccccc3o2)c(Br)c1 73639288 QJUHPDDBCYWHAW-UHFFFAOYSA-N 289.132 3.840 0 40 CHAB COc1cccc2cc(C(=O)N(C)Cc3ccccc3)oc12 73742581 NKHAKBVIASXWDJ-UHFFFAOYSA-N 295.338 3.714 0 40 CHAB O=C(Nc1ccc2[nH]c(C3CC3)nc2c1)C1CCCCC1 79497412 FHHYNPIBTYECEZ-UHFFFAOYSA-N 283.375 3.959 0 40 CHAB CSc1ccc([C@H](O)c2ccc(C)s2)cc1 84193699 PJDDBDDNYOVORF-ZDUSSCGKSA-N 250.388 3.860 0 40 CHAB C[C@@H](NCCc1ccccc1)c1ccccc1-n1cccn1 84660909 OSIRJAVGPDFTAE-MRXNPFEDSA-N 291.398 3.766 0 40 CHAB CC(C)n1ccc(C[S@](=O)[C@H](C)c2cccs2)n1 95418336 YKGFTMGAHKXHRS-ADLMAVQZSA-N 282.434 3.535 0 40 CHAB Cc1nc(C)c(CN[C@H](C)c2sccc2C)s1 97017131 ZPJRWUSFBNNPNB-SNVBAGLBSA-N 266.435 3.981 0 40 CHAB CC1=NN(c2ccccc2)C(=S)[C@H]1C(=O)c1ccccc1 100935105 OFSJYAIKMAHYOV-OAHLLOKOSA-N 294.379 3.709 0 40 CHAB CC(C)(C)C(=O)N1CCS[C@H](c2ccccc2)CC1 211139911 PHBHVWKQFBLDCD-AWEZNQCLSA-N 277.433 3.739 0 40 CHAB CC1(NC(=S)Nc2ccccc2F)CCCCC1 225851271 PZAQLAQGLXVSNW-UHFFFAOYSA-N 266.385 3.835 0 40 CHAB COc1ccc(NC(=O)C2(C)CCCC2)c2cccnc12 225881179 ZYWKKXFNZHUEOM-UHFFFAOYSA-N 284.359 3.762 0 40 CHAB CN(C(=O)c1ccc(-c2ccc(N)cc2)o1)C1CCCCC1 226303636 ARHZBFIOWGFHAS-UHFFFAOYSA-N 298.386 3.934 0 40 CHAB Cc1nn(-c2ccc3ccoc3c2)nc1-c1ccccc1 255189001 NBGZAOPDSZGORI-UHFFFAOYSA-N 275.311 3.989 0 40 CHAB Fc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 260658783 JUEAGHGVWAPYTJ-RVBZMBCESA-N 298.814 3.954 0 40 CHAB Cc1c(Cl)cccc1NC(=O)C1CC(F)(F)C1 334658671 RZXNXRXQRJJPLA-UHFFFAOYSA-N 259.683 3.632 0 40 CHAB COc1c(C)cc(C(=O)COCc2ccccc2)cc1C 382695275 KNYYTLHZQCXBGY-UHFFFAOYSA-N 284.355 3.712 0 40 CHAB CCCC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 539418283 CMVYLOFQSPEXCL-UHFFFAOYSA-N 279.343 3.764 0 40 CHAB Fc1ccc(Nc2ncnc(C3CC3)c2F)c(F)c1 1888920830 AITGHOVEPJQUHK-UHFFFAOYSA-N 265.238 3.515 0 40 CHAB Cc1ccc(OC(=O)c2cccc3nc(C)oc23)cc1 141056 DGVFDJSUIKYTQH-UHFFFAOYSA-N 267.284 3.664 0 40 CHAB O=C(O[C@H]1CCSC1)c1ccc(Cl)cc1Cl 159621 OZPSBZVNYWWSKR-QMMMGPOBSA-N 277.172 3.656 0 40 CHAB Cc1ccc(CNC(=O)CCCc2ccccc2)cc1 342147 QJSURMSRAWBJAH-UHFFFAOYSA-N 267.372 3.634 0 40 CHAB COc1ccc(OC(=O)c2ccc(C)c(C)c2)cc1 363496 KMPRYXGLIZYZBA-UHFFFAOYSA-N 256.301 3.531 0 40 CHAB C[C@@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 535974 OGFSYHVSOUTFKT-SNVBAGLBSA-N 299.761 3.707 0 40 CHAB O=Cc1ccc(O)c(Cc2c(Cl)cccc2Cl)c1O 1402589 GDBOBQIBMIMWIY-UHFFFAOYSA-N 297.137 3.808 0 40 CHAB CC(=O)c1ccc2c(Br)ccc3c2c1CC3 1723063 FYJDERPDUMVFDE-UHFFFAOYSA-N 275.145 3.904 0 40 CHAB Cc1ccccc1C(=O)c1ccc(CN2CCCC2)cc1 2514545 LRULAXYCVLUNAR-UHFFFAOYSA-N 279.383 3.822 0 40 CHAB CC(=O)c1ccc(NC(=O)c2cccc(C)c2C)cc1 2662748 GFCAWIRLKQSVJZ-UHFFFAOYSA-N 267.328 3.758 0 40 CHAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2N 4217190 OMKYOYBEVIPBMI-YISWTCPOSA-N 291.479 3.717 0 40 CHAB biogenic,in-vitro Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1 4815135 RSSGQYCOGQHQAS-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB Cn1c(C(=O)Nc2ccc3c(c2)CCC3)cc2sccc21 4971213 JFEFQZVJBYUETI-UHFFFAOYSA-N 296.395 3.981 0 40 CHAB O=C1c2ccccc2CC[C@@]12N=NC[C@H]2c1ccccc1 5053709 BBHOAMKKLRNTFS-WMZOPIPTSA-N 276.339 3.804 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cnc2ccccc2n1 5176445 IUPUAECPIAONLJ-UHFFFAOYSA-N 291.354 3.753 0 40 CHAB CCn1c(C)cs/c1=N\c1ccc(Cl)cc1 5519033 VXZWMMKRZSTTNP-OWBHPGMISA-N 252.770 3.764 0 40 CHAB COC(=O)[C@@]1(C)CC(c2ccccc2)=N[C@H]1c1ccccc1 5722031 GFIPTHSKIGKABL-HKUYNNGSSA-N 293.366 3.800 0 40 CHAB O=C(O)[C@]1(CCCCCCOc2ccc(Cl)cc2)CO1 5841707 NWSIRTXVYBEURF-HNNXBMFYSA-N 298.766 3.523 0 40 CHAB CCCCCNC(=O)CSCc1ccccc1Cl 6597199 DEIYDEZJNLZETG-UHFFFAOYSA-N 285.840 3.880 0 40 CHAB CCc1ccc(NC(=S)NCc2ccc(F)cc2)cc1 6941327 PBVHPFUHEJEJON-UHFFFAOYSA-N 288.391 3.875 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1F 7750876 QRSUVWWRVRCEDE-GFCCVEGCSA-N 257.308 3.625 0 40 CHAB O=C(Nc1cccnc1)c1csc(-c2ccsc2)n1 12538220 AATRCGXMOVZKEK-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB Cc1cccc(C(=O)N(C)[C@H]2CCc3ccccc32)c1 12820568 JJCUITZAILCXKN-KRWDZBQOSA-N 265.356 3.755 0 40 CHAB O=C(NCCc1ccsc1)c1ccc(C(F)(F)F)cc1 13698209 VWOCJYZBANZBJS-UHFFFAOYSA-N 299.317 3.739 0 40 CHAB CC[C@@H](C)NC(=O)N[C@H](C)c1cccc2ccccc12 13746381 JRHMYBCSGUILSG-CHWSQXEVSA-N 270.376 3.999 0 40 CHAB Cc1nn(-c2ccc(F)cc2)c(O)c1Cc1ccccc1 14162659 BOXDHNFAUPVCPF-UHFFFAOYSA-N 282.318 3.616 0 40 CHAB Cc1ccc(NC(=O)c2csc3c2CCCC3)c(O)c1 14245157 CMMHFSFKTOVFFB-UHFFFAOYSA-N 287.384 3.893 0 40 CHAB CC(C)c1nc2sc3c(=O)[nH]cnc3c2c2c1CCCC2 18084952 SJCUIRNGPRXCAD-UHFFFAOYSA-N 299.399 3.535 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)c(C)c1 32601916 PEMMNHXKOOZWJL-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB COc1ccc(Nc2nnc(-c3ccc(N)cc3)s2)cc1 33814552 SPXLWLNKRPWJOC-UHFFFAOYSA-N 298.371 3.540 0 40 CHAB Cc1ccc(C(=O)c2nc(-c3ccc(C)cc3)c[nH]2)cc1 38227134 BTABWQAHKDDQQX-UHFFFAOYSA-N 276.339 3.925 0 40 CHAB CC(C)[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 40097892 UQBFNNBLWDKLHX-SECBINFHSA-N 274.286 3.871 0 40 CHAB Clc1cc(Cl)c2ccccc2c1O[C@H]1CCNC1 42774522 FXIDKJYZEJWDCH-VIFPVBQESA-N 282.170 3.887 0 40 CHAB O=C(Nc1cccc(OC(F)(F)F)c1)C1CCCC1 43092661 QWMDOSSNJKXDER-UHFFFAOYSA-N 273.254 3.714 0 40 CHAB COc1ccc(-c2nc(Br)cs2)cc1 44119687 MUNWKDJOWYMCTP-UHFFFAOYSA-N 270.151 3.581 0 40 CHAB Cc1noc(C)c1CCC(=O)N[C@H](C)CCCC(C)C 44999554 DLCLQWZMBLHBQN-GFCCVEGCSA-N 280.412 3.555 0 40 CHAB CCc1nc(NC(=O)CCc2ccccc2)sc1C 47424514 VWCOHODTHICTME-UHFFFAOYSA-N 274.389 3.585 0 40 CHAB c1cncc(CN2CC[C@H](c3nc4ccccc4s3)C2)c1 49168953 ZIQSDGOMSCHWKF-AWEZNQCLSA-N 295.411 3.681 0 40 CHAB biogenic,in-vitro COc1cc(CNc2ncnc3ccccc23)ccc1C 53583022 SIOAZHBVQLZWDF-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB CCOc1ccccc1C(=O)c1ccc(F)c(C)c1 55240123 GASFTKZZJFFNNM-UHFFFAOYSA-N 258.292 3.764 0 40 CHAB Cc1nc(-c2ccc(C(F)(F)F)cc2F)sc1CO 66352004 RBCBGDIKRSWCKE-UHFFFAOYSA-N 291.269 3.769 0 40 CHAB Cc1cc(COc2ccccc2OCC(F)(F)F)on1 66824822 ZHMLZPUSFRQQMY-UHFFFAOYSA-N 287.237 3.503 0 40 CHAB CCOC(=O)C[C@@H](c1ccc(Cl)cc1)N1CCCCC1 72210304 OSCYBWFDNQMSBS-HNNXBMFYSA-N 295.810 3.820 0 40 CHAB COc1cccc(OC)c1[C@H]1CCCCN1C(C)C 72221438 ONHLCMCKRGYGHY-CYBMUJFWSA-N 263.381 3.639 0 40 CHAB C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)NCc1ccco1 72334035 HECRTIIJPYRXOR-CPUCHLNUSA-N 289.419 3.955 0 40 CHAB CN(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2F)C1 76093252 DVFKFQVQRKBJBX-SFHVURJKSA-N 298.405 3.532 0 40 CHAB CCCCCNC(=O)Nc1ccc2nn(C(C)C)cc2c1 76094320 CIIQSUBGWZCPJN-UHFFFAOYSA-N 288.395 3.929 0 40 CHAB CC(C)n1ncc2c1N=C(O)CS[C@H]2C(C)(C)C 79478421 JDGPFDHENDZSED-LLVKDONJSA-N 267.398 3.886 0 40 CHAB CC(C)(C)OC(=O)N1CCSc2ccccc21 83502251 NCVYHLNBCWKXOF-UHFFFAOYSA-N 251.351 3.534 0 40 CHAB CC[C@@H](C)C(=O)c1cc(Br)ccc1F 86733136 MOIDHCXMPPAZST-SSDOTTSWSA-N 259.118 3.817 0 40 CHAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108924761 GSCPOBFEYKDEKQ-LMCGPQHNSA-N 279.330 3.519 0 40 CHAB O=[S@@](Cc1ncc(Cl)cc1Cl)C1CCCCC1 163643201 LIWSNJVRULTBSS-QGZVFWFLSA-N 292.231 3.970 0 40 CHAB CCOc1cccc([C@H]2CC(=O)c3ccccc3N2)c1 169972099 VRBDIXPAUOYDHF-MRXNPFEDSA-N 267.328 3.825 0 40 CHAB CSc1c(Br)ccc(Cl)c1F 217559489 DSWVPXJQQWTJKV-UHFFFAOYSA-N 255.539 3.964 0 40 CHAB in-vitro Cc1ccc(OCCNC(=O)C2CCCCC2)cc1Cl 224158027 JOWUELLEWNLQNZ-UHFFFAOYSA-N 295.810 3.724 0 40 CHAB CCc1ccc(CC)c(CNC(=O)c2ccc(OC)cc2)c1 224250111 ALXNNTNOYXRRTC-UHFFFAOYSA-N 297.398 3.750 0 40 CHAB Cc1cc(C)cc(O[C@H](Cc2cc(C)ccc2C)C(=O)O)c1 225028326 DTIGRDKZVMGHIE-GOSISDBHSA-N 298.382 3.995 0 40 CHAB CCOC(=O)c1cc(C)sc1NC(=N)c1ccccc1 226233420 NYEGNAJGUHQWHD-UHFFFAOYSA-N 288.372 3.671 0 40 CHAB Cc1cccc(N(C)C(=O)[C@H]2Cc3ccccc3S2)c1C 515667971 AEMJVNYFMCIVCK-QGZVFWFLSA-N 297.423 3.983 0 40 CHAB O=C1[C@H](Oc2ccccc2Cl)CCN1C1CCCCC1 530161992 WISNEFAJNVKGKG-OAHLLOKOSA-N 293.794 3.652 0 40 CHAB CC(C)C[C@@H](N)C1(c2ccc3c(c2)OC(F)(F)O3)CCC1 1772714942 PCOXBHPYKJSUGL-CQSZACIVSA-N 297.345 3.803 0 40 CHAB Cc1ncsc1C(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001971 WCZIFBCIZGGZCL-KBPBESRZSA-N 288.416 3.699 0 40 CHAB Cc1cc(-c2[nH]c(C=O)nc2Br)ccc1Cl 1857794564 AULPOYIVIIKRCE-UHFFFAOYSA-N 299.555 3.614 0 40 CHAB CCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 884872 JGSMZYCCTKVIOB-UHFFFAOYSA-N 293.322 3.809 0 40 CHAB NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3193752 CRKMHFBDFDQISR-UHFFFAOYSA-N 298.282 3.755 0 40 CHAB Cc1ccc(C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 4536084 QBIDUOULQWJMLZ-OAHLLOKOSA-N 297.379 3.806 0 40 CHAB Fc1ccccc1NC(=S)NCC1CCCCC1 6884637 SRTLPZSTFUAFPR-UHFFFAOYSA-N 266.385 3.692 0 40 CHAB CCOc1cc(C(=O)Nc2ccc(CC)cc2)ccc1OC 10039293 SOYFBVSSEPAMKQ-UHFFFAOYSA-N 299.370 3.909 0 40 CHAB Cc1ccc(C(=O)c2ccc(C3OCCO3)s2)c(C)c1 43210451 XUOZLAZVFWHVEE-UHFFFAOYSA-N 288.368 3.641 0 40 CHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc[nH]2)cc1 58353002 DIPKUJGTRZJGKF-QGZVFWFLSA-N 298.386 3.781 0 40 CHAB Cc1ccccc1CCNCc1ccc(Cl)cc1 25686308 CRPLCQUYSXUDRJ-UHFFFAOYSA-N 259.780 3.981 0 40 CHAB CCC[C@@H](O)c1nc2ccccc2n1CCC(C)C 20897521 JQMOLKRXCBXQDT-OAHLLOKOSA-N 260.381 3.916 0 40 CHAB COc1cccc(C(=O)Oc2ccccc2Cl)c1OC 3346581 UHGWWJRSTJUETM-UHFFFAOYSA-N 292.718 3.576 0 40 CHAB CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccoc1 48333227 NBESANWIWIYWCF-LBPRGKRZSA-N 273.332 3.558 0 40 CHAB O=C(CCc1ccc(F)cc1)c1ccc(F)cc1F 2517411 UJDMZVRFGBYWKI-UHFFFAOYSA-N 264.246 3.919 0 40 CHAB Cc1noc(C)c1NC(=O)N[C@@H](C)c1ccc(Cl)cc1 60382078 TWUYTCLBIUVWKX-QMMMGPOBSA-N 293.754 3.828 0 40 CHAB Fc1ccc(CSc2nnc3ccccn23)c(Cl)c1 2622368 FNGYJJGKCMXAOZ-UHFFFAOYSA-N 293.754 3.814 0 40 CHAB CC[C@H](CNC(=O)c1ccccc1)c1ccccc1 60683759 SPMTZBAKCFRYSN-CQSZACIVSA-N 253.345 3.610 0 40 CHAB Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1 48696815 BMVVTGIPSRZMAT-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)Cc1c(F)cccc1Cl 5062718 IRHXSRDJGIHAHB-IINYFYTJSA-N 283.774 3.717 0 40 CHAB CCN(CC)Cc1c(-c2ccccc2)nc2sccn12 4565787 QAMWLRZMOWYVDF-UHFFFAOYSA-N 285.416 3.905 0 40 CHAB O=C(CCc1ccccc1)N[C@H]1CCCc2ccccc21 5442898 MRYKKTUOUNSCLZ-SFHVURJKSA-N 279.383 3.813 0 40 CHAB CCC(C)(C)NC(=O)Cc1csc(-c2ccccc2)n1 7345848 YLPFWDNTCVSAMH-UHFFFAOYSA-N 288.416 3.657 0 40 CHAB Cc1ccc(NC(=O)c2ccc(COC(C)C)cc2)c(O)c1 7540533 SXNXXMNNNZRCJI-UHFFFAOYSA-N 299.370 3.878 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1F 16058432 WFRADXGECDFIAU-NSHDSACASA-N 275.298 3.764 0 40 CHAB O=C(Nc1ccc(Cl)nc1)c1ccc(-c2cnco2)cc1 71803703 IMTXFGKWFSVTGE-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CCOC(=O)c1c(C)sc2nc(-c3ccccc3)cn12 19927767 KIBIAODLTCTQIG-UHFFFAOYSA-N 286.356 3.548 0 40 CHAB C[C@H](NC(=O)NCc1ccccc1)c1ccccc1Cl 17115551 DGOPZBVHHOQFHU-LBPRGKRZSA-N 288.778 3.900 0 40 CHAB C[C@@H](NC(=O)C1CCCCC1)c1ccc(-n2ccnc2)cc1 18048114 VZHXCKFCTUSSNF-CQSZACIVSA-N 297.402 3.630 0 40 CHAB O=C(c1cc(Cl)cc(F)c1Cl)C(F)(F)F 308791037 IJOUJJUJSTUMEP-UHFFFAOYSA-N 261.001 3.878 0 40 CHAB O=C(CCSc1ccccc1)N[C@@H]1CCc2ccccc21 22697397 DGUDHERAKDDJMO-QGZVFWFLSA-N 297.423 3.973 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1OC 33565565 ZEHSUXKKOLZAOZ-MRXNPFEDSA-N 299.370 3.800 0 40 CHAB O=C(Cn1ccc2c(Cl)cccc21)NCc1ccccc1 32104806 UDFCIDDOSLBZKN-UHFFFAOYSA-N 298.773 3.611 0 40 CHAB OCc1ccccc1OCc1c(F)cccc1Cl 42274803 OLVAEHYYJCPKBC-UHFFFAOYSA-N 266.699 3.550 0 40 CHAB CC(C)Cn1cc(CN2C[C@@H](C)C[C@H]2c2cccnc2)cn1 190961891 ISQFHBMCRJDFAO-YJBOKZPZSA-N 298.434 3.517 0 40 CHAB O=C(CCCn1cccc1)Nc1ccccc1Cl 49030978 PQECAJKYTCQDPM-UHFFFAOYSA-N 262.740 3.560 0 40 CHAB COc1ccccc1-c1cnc(-c2ccc(N)cc2)o1 226103110 CKLAHHXKFSZBRY-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB CC(C)(C)OC(=O)Nc1cccc(OC(F)(F)F)c1 83502179 SAQHODCHBIFMJB-UHFFFAOYSA-N 277.242 3.932 0 40 CHAB C[C@@H](Nc1cccc(C[S@](C)=O)c1)c1ccccc1F 97232199 SRJYGHFTEHGGPW-MPBGBICISA-N 291.391 3.877 0 40 CHAB CC[C@H](NC(=O)Nc1ccc(OC)c(C)c1)c1ccncc1 96434220 JLTCQSPAASWHKC-HNNXBMFYSA-N 299.374 3.671 0 40 CHAB C[C@H](O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 242701547 WHOGNKUXQJMVBC-VHSSKADRSA-N 268.356 3.750 0 40 CHAB O=C(c1ccccc1OC(F)(F)F)C(F)(F)Cl 95917451 FCIIECYLARNDRV-UHFFFAOYSA-N 274.572 3.600 0 40 CHAB CC(C)COc1c(F)cc(F)cc1C(=O)C(F)(F)F 95732753 NJDLQRTXMGWTEF-UHFFFAOYSA-N 282.208 3.745 0 40 CHAB O=C(NCCSCc1ccccc1Cl)c1ccco1 2383502 YGKZATQJADPPCP-UHFFFAOYSA-N 295.791 3.596 0 40 CHAB Fc1cccc(-c2ccncc2Br)c1 3880172 FBCKAFRAPBEOLZ-UHFFFAOYSA-N 252.086 3.650 0 40 CHAB CCO[P@](=O)(O)CCCCCCCCCCCO 627276284 ZOQYVPSLTCQQOP-UHFFFAOYSA-N 280.345 3.712 0 40 CHAB COc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1N 5613083 NXDOPFUYXHNEFX-UHFFFAOYSA-N 268.316 3.702 0 40 CHAB COc1cccc(NC(=O)Nc2ccc(C)c(C)c2)c1 13048719 BSVZMJQEHWRCQK-UHFFFAOYSA-N 270.332 3.956 0 40 CHAB CCCCOc1ccc(C(=O)NCc2ccsc2)cc1 13698077 OMVDYVNABVHFSN-UHFFFAOYSA-N 289.400 3.857 0 40 CHAB Cc1nc2cc(Nc3ncnc(C)c3F)ccc2s1 1888891080 SQDWPBXPOOVWCV-UHFFFAOYSA-N 274.324 3.586 0 40 CHAB Cc1ccc(NC(=S)Nc2ccccc2)c(F)c1 16181603 CXJXEBFFCUZCQK-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB C[C@H](Nc1ncnc2sccc12)[C@H]1C[C@H]2CC[C@H]1C2 102262704 RCRRNGYGLILANJ-MRBYEJRBSA-N 273.405 3.928 0 40 CHAB Cc1cccc(C)c1N[C@H]1OC(=O)c2ccccc21 202925 QAWBSGWFZDWXRF-HNNXBMFYSA-N 253.301 3.585 0 40 CHAB C[C@H]1CCC[C@H](C)N1CCCCOc1ccc(C=O)cc1 217793908 BIRFBPSQXSDJJD-HOTGVXAUSA-N 289.419 3.921 0 40 CHAB Cc1ccc(F)cc1NC(=O)NCCc1cccs1 40097794 MOCXLBNBWFPFKY-UHFFFAOYSA-N 278.352 3.560 0 40 CHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 362901 RPEVPMBIVAYJSS-GFCCVEGCSA-N 289.762 3.596 0 40 CHAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccccc2)c1 365053 LSDPDOOLPZOTKX-GFCCVEGCSA-N 287.384 3.815 0 40 CHAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 371332 TZYLNFWEWWXTFN-AWEZNQCLSA-N 299.370 3.800 0 40 CHAB O=C(O)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 88275 AHSIVPPUDXPGPA-UHFFFAOYSA-N 297.339 3.647 0 40 CHAB CC(C)(C)c1ccc(OCC(=O)NC2CCCCC2)cc1 101130 DBYLGNUUDMKPBF-UHFFFAOYSA-N 289.419 3.812 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CC[C@H]1C3=NN[C@H]1c1ccco1 211657 LPRZUORTNAVOLN-MLGOLLRUSA-N 291.354 3.680 0 40 CHAB CCN(CC)C(=S)SCc1cn2ccc(C)cc2n1 564655 AFZDVUHWDHGJDL-UHFFFAOYSA-N 293.461 3.503 0 40 CHAB O=C(O)C[C@H]1c2ccccc2CC[C@H]1c1ccccc1 1599941 QQAZKBDPNZVXTH-IRXDYDNUSA-N 266.340 3.975 0 40 CHAB CCC(C)(C1CCC(=O)CC1)C1CCC(=O)CC1 1707451 ZQHIJPHGVJUKAW-UHFFFAOYSA-N 250.382 3.921 0 40 CHAB Cc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2C 4711979 URNHYVNBYXKEBP-UHFFFAOYSA-N 264.328 3.739 0 40 CHAB CCCn1c(NC(=O)c2cccc(F)c2)nc2ccccc21 4900574 OJCNATGXODSKHR-UHFFFAOYSA-N 297.333 3.838 0 40 CHAB CCOC(=O)c1ccc(Nc2nc3cccnc3s2)cc1 6785011 OGVBRAYGRYZZEX-UHFFFAOYSA-N 299.355 3.612 0 40 CHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(F)c1 6787677 DQCUVNMQYMIAKO-UHFFFAOYSA-N 298.361 3.987 0 40 CHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC=CCC1 7655642 ZDZYFAKFUUALKT-JTQLQIEISA-N 265.740 3.643 0 40 CHAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC1CC1 8077158 LUOBJXZTCAVEJS-UHFFFAOYSA-N 290.366 3.587 0 40 CHAB O=C(CCc1ccco1)Nc1ccnn1C1CCCCC1 8427713 ZTKVWQZXSRWXHF-UHFFFAOYSA-N 287.363 3.553 0 40 CHAB CC(C)CCOc1ccc(C(=O)O)cc1Br 8568722 KTCWWHPQAHQZMX-UHFFFAOYSA-N 287.153 3.572 0 40 CHAB Sc1nc(C2CCCCC2)n(-c2ccccc2)n1 12485425 XIDXXCBXINLAOT-UHFFFAOYSA-N 259.378 3.604 0 40 CHAB Clc1cccc2c(C3=N[C@H]4C=NN=C4S3)cccc12 17957961 MUBXSBHXHFNUDO-LBPRGKRZSA-N 285.759 3.753 0 40 CHAB O=C(CSc1ccc(Cl)cc1)c1ccc(O)cc1O 18321860 NUKCVWWCXOHRSG-UHFFFAOYSA-N 294.759 3.726 0 40 CHAB Nc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 19395609 MJHZATUNSYJCTJ-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(CC)CC 20110867 SRTSBTCLPPVWHI-INIZCTEOSA-N 285.387 3.866 0 40 CHAB CCC[C@H](C)c1c(O)nc(S[C@H](C)CC)n(CC)c1=O 23115574 ZECQTMNMLSFBRF-WDEREUQCSA-N 298.452 3.763 0 40 CHAB Cc1ccsc1CNC(=O)Cn1c(C)cc2ccccc21 23137877 FTPBHMZAVIFTQW-UHFFFAOYSA-N 298.411 3.636 0 40 CHAB O=C(Nc1ccccc1OC(F)(F)F)c1ccsc1 24837157 GFAVANYVQIXDAZ-UHFFFAOYSA-N 287.262 3.899 0 40 CHAB C[C@@H](Nc1ccc(F)cc1)c1nc(-c2ccco2)no1 26982384 SNGUKYLAPSXDOY-SECBINFHSA-N 273.267 3.642 0 40 CHAB CCc1c(C)sc(N)c1C(=O)c1ccc(F)cc1 34476833 IASPQYBDEJWKSZ-UHFFFAOYSA-N 263.337 3.571 0 40 CHAB O=Cc1cccc(-c2ccc(C(F)(F)F)cc2)n1 35630138 PLDDJIHJHBOTBE-UHFFFAOYSA-N 251.207 3.580 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccc(F)cc1F 36940689 NCFIQIWPLNAYMS-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB O=C(O)CC1(CC(=O)c2ccc(F)c(F)c2)CCCCC1 37364722 LWSCBRXTQNRUQE-UHFFFAOYSA-N 296.313 3.963 0 40 CHAB CCC(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1 40106804 OQKOEPQTZFINMV-UHFFFAOYSA-N 284.359 3.517 0 40 CHAB CC(=O)Nc1ccc(O[C@@H]2CCc3ccccc32)cc1 41104974 NIPURDUUHUSSHH-QGZVFWFLSA-N 267.328 3.711 0 40 CHAB Cc1noc(C)c1CN(Cc1ccco1)C1CCCC1 52077182 KLMBOAVZBWJOFG-UHFFFAOYSA-N 274.364 3.829 0 40 CHAB COc1ccc2c(Nc3ccc(C(=O)O)cc3)ccnc2c1 53994646 HFANWFHEBVFTDQ-UHFFFAOYSA-N 294.310 3.685 0 40 CHAB O=C(Nc1cccc(F)c1)c1nccc2ccccc12 60192430 JJZQEQZMXUPANA-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB O=C(C1=C(Cl)CCCC1)N(Cc1ccccn1)C1CC1 69645063 HVULUNPYAQYDCO-UHFFFAOYSA-N 290.794 3.640 0 40 CHAB CC(C)c1ccc(CNC(=O)c2cccs2)cc1 70250869 NEMDYHNKMDWEGH-UHFFFAOYSA-N 259.374 3.802 0 40 CHAB CCCCNc1ccc([C@@H]2CCCN2CCC)cn1 72213659 UAKJSCXNTOCCEC-HNNXBMFYSA-N 261.413 3.841 0 40 CHAB CC(C)Oc1ccc(NC(=O)N2CCC23CCC3)c(F)c1 72313636 FOMYIXAYPUCTGX-UHFFFAOYSA-N 292.354 3.773 0 40 CHAB Nc1ccc(-c2nc3cc(Cl)cnc3s2)cc1 78407048 OXZHNYSDRXOVOR-UHFFFAOYSA-N 261.737 3.594 0 40 CHAB Cc1cccnc1[C@H](NC(=O)c1cccs1)C(C)C 79358052 GLJBEDMYZXYWKB-CYBMUJFWSA-N 274.389 3.579 0 40 CHAB CCc1nc(Cl)c2ccc(Br)cc2n1 90415822 ONNFCCIZEBRGHU-UHFFFAOYSA-N 271.545 3.608 0 40 CHAB Cc1cc(F)cc(C(=O)c2c(F)cc(F)cc2F)c1 95916977 LZSGRHCHQGMZIY-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB CC[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1F 97161698 XOIGJZNMUKOSIX-KRWDZBQOSA-N 287.378 3.599 0 40 CHAB Cc1cccc(CNC(=O)Nc2c(C)cccc2Cl)n1 97161908 MIEQDYQTHNFWHQ-UHFFFAOYSA-N 289.766 3.674 0 40 CHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1C[C@H]2C=C[C@H]1C2 102094339 QIAUURQXKNJDAK-UBHSHLNASA-N 296.395 3.961 0 40 CHAB CCCC[C@@H]1OC[C@]2(COC(C)=O)[C@@H](C)C=C(C)[C@@H]1[C@@H]2C 105363674 PTOBLQWYQHCBCQ-GCDKYVQMSA-N 294.435 3.973 0 40 CHAB biogenic CCCN1CCC[C@H]1c1cccnc1N[C@H](C)CC 108368496 NORPIJXUDNAOFT-HIFRSBDPSA-N 261.413 3.839 0 40 CHAB Cc1nc(C2CC2)ncc1-c1nnc(-c2ccccc2F)o1 216606161 QTBGQZQCAJFWGL-UHFFFAOYSA-N 296.305 3.519 0 40 CHAB CC(C)(C)SCCNC(=S)Nc1ccccc1F 225350520 RWZYZHHDDCBHMJ-UHFFFAOYSA-N 286.441 3.644 0 40 CHAB Cc1cc([C@H](O)c2ccc(C(C)C)cc2)ccc1N 226292948 ROVMSNUHWYFNTM-QGZVFWFLSA-N 255.361 3.782 0 40 CHAB Cc1ccc(C(=O)C(F)(F)Br)c(Cl)c1 307696594 KOZUAUVVSPLFSI-UHFFFAOYSA-N 283.499 3.819 0 40 CHAB C[C@H](c1noc([C@H]2C[C@H]2c2ccc(C#N)cc2)n1)C1CC1 390833259 FILJFCNZAOGABY-LKTVYLICSA-N 279.343 3.726 0 40 CHAB Cc1cccnc1CN1CC[C@@]2(C)OC(C)(C)CC[C@H]2C1 643913052 PHXXJVOSDJNUKU-MAUKXSAKSA-N 288.435 3.560 0 40 CHAB O=C(Cc1noc2ccccc12)N(c1ccccc1)C1CC1 1526042117 GFYIZSPYOAQTSX-UHFFFAOYSA-N 292.338 3.566 0 40 CHAB C(=C1C[C@@H]2CC[C@H](C1)N2Cc1cccnc1)C1CC1 1776009628 TZQOVYLDJHBBGM-CALCHBBNSA-N 254.377 3.545 0 40 CHAB S=C1NC2(CCCCCC2)NN1c1ccc(Cl)cc1 87888 GZNKNMWYOWFRRM-UHFFFAOYSA-N 295.839 3.590 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1cccs1 152247 KTKUWXWQRFBSRC-ZDUSSCGKSA-N 257.358 3.556 0 40 CHAB COc1ccc(-c2cc(C(=O)O)c3ccc(C)cc3n2)cc1 160845 QGYSRDDVLFRRHR-UHFFFAOYSA-N 293.322 3.917 0 40 CHAB CCc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 239108 ZGIYSMHIBSYNFK-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc(C)cc1 342780 POFMNQAOWHZXCQ-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N2CCCc3ccccc32)c1 371490 RIHDZPQJQAAUHS-OAHLLOKOSA-N 295.382 3.742 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1 379500 OSTCEOLLUYNHDI-AWEZNQCLSA-N 285.412 3.625 0 40 CHAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccccc1C 574352 WKCBHGGERNXDDC-VAWYXSNFSA-N 297.354 3.664 0 40 CHAB c1ccc([C@H]2Nc3ccccc3[C@@H]3OCC[C@H]23)cc1 1144784 LZVNOMSZAGXFQZ-OIISXLGYSA-N 251.329 3.931 0 40 CHAB CCC[C@@H]1CCC[C@]1(CC(=O)c1ccccc1)C(=O)O 1600818 YZRADSRLGWRTPH-RHSMWYFYSA-N 274.360 3.931 0 40 CHAB O=C(CSc1ncccc1Cl)c1ccccc1 1648641 MUKFAPYWBVVJOP-UHFFFAOYSA-N 263.749 3.710 0 40 CHAB Fc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2ncnn21 2228188 QPLJPNAYDGEKKK-HOTGVXAUSA-N 294.333 3.564 0 40 CHAB Cc1ccc2[nH]cc(C(=O)CN(C)C3CCCCC3)c2c1 2416232 YUQGKLRRJCBIRJ-UHFFFAOYSA-N 284.403 3.924 0 40 CHAB O=C(c1ccc(F)cc1)c1ccc(CN2CCCC2)cc1 2514564 XTWABMVCOMCJPO-UHFFFAOYSA-N 283.346 3.653 0 40 CHAB CO[C@@H]1C2=C(CCCC2)C(=O)N1[C@H]1CCCc2ccccc21 4600223 ZWFZGGCYVMIVTJ-PKOBYXMFSA-N 297.398 3.749 0 40 CHAB CC(C)CN(CC(C)C)NC(=S)Nc1ccccc1 5453902 SVJHBXSCRJNXLU-UHFFFAOYSA-N 279.453 3.502 0 40 CHAB CCN(CC)CC[C@@H](O)c1cccc2ccccc12 6382382 VQVAXOOFUIPAAC-QGZVFWFLSA-N 257.377 3.605 0 40 CHAB Cc1ccc2[nH]c([C@H]3CC[C@](C)(C(=O)O)C3(C)C)nc2c1 6413538 OBWBVBGCJSKNJY-PIGZYNQJSA-N 286.375 3.866 0 40 CHAB NCC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 6645473 DCSAIHCINAREQI-OAHLLOKOSA-N 263.743 3.960 0 40 CHAB CCOc1ccc(CNc2ccccc2)cc1OC 6870534 FWQMEDAUFXSEMN-UHFFFAOYSA-N 257.333 3.706 0 40 CHAB CC(C)C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 7979209 YZMLFXVYIKQUPG-UHFFFAOYSA-N 294.350 3.640 0 40 CHAB C[C@@H]1CCCCN1C(=O)Nc1nc2ccccc2s1 9961782 LOAHYUVBNOGPGG-SNVBAGLBSA-N 275.377 3.703 0 40 CHAB CCCn1c(NC(=O)Cc2ccccc2)nc2ccccc21 12520754 QPCLJHBRDBFTMS-UHFFFAOYSA-N 293.370 3.628 0 40 CHAB CC[C@H](NC(=O)N[C@H](C)CC)c1ccc(Cl)cc1 13746440 UIVNQZUVRUOYMS-MFKMUULPSA-N 268.788 3.889 0 40 CHAB Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)n[nH]2)cc1 14205974 DAULMNIWAQKTCS-UHFFFAOYSA-N 291.354 3.662 0 40 CHAB S=C(Nc1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 16489815 MTDLWFGWAQYQHS-KBPBESRZSA-N 274.433 3.896 0 40 CHAB Cc1ccc(CNC(=O)Cc2coc3ccc(C)cc23)cc1 16753219 YZIHICDUGVNYJE-UHFFFAOYSA-N 293.366 3.909 0 40 CHAB CCN(Cc1ccccc1)C(=O)c1cc(N)ccc1Cl 20194019 AEJKTUVFAFYFBB-UHFFFAOYSA-N 288.778 3.585 0 40 CHAB in-vitro CCCCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 20493653 CXCLZYONYIBBHA-CQSZACIVSA-N 277.408 3.884 0 40 CHAB CC(C)[C@@H](CCN1CCOCC1)c1ccc(Cl)cc1 20573506 ZPXUGMZHJKKAIN-MRXNPFEDSA-N 281.827 3.802 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)c1ccccc1 21638378 CXXKCMCPYORFSK-NSHDSACASA-N 257.358 3.508 0 40 CHAB Cc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 21898775 FLQDQAFJHWJPLQ-OAHLLOKOSA-N 283.396 3.962 0 40 CHAB Cc1ccc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 25270805 IQXJCHUKQKSVTC-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB CCn1nc(C)cc1NC(=O)Nc1ccc(F)c(Cl)c1 32609634 SSOVBJRDDGKWIL-UHFFFAOYSA-N 296.733 3.648 0 40 CHAB CC(C)N1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 35446719 PENGICADZKDUAF-JTQLQIEISA-N 297.324 3.779 0 40 CHAB biogenic,in-vitro O=C(NCc1ccccc1)N1CCC[C@@H]1c1ccccc1F 36621087 CGQYOQQIGKCRPT-QGZVFWFLSA-N 298.361 3.872 0 40 CHAB Cc1nn(C(C)C)c(C)c1NCc1cnn(C(C)(C)C)c1 37787588 LJVOWMLQTXANNQ-UHFFFAOYSA-N 289.427 3.644 0 40 CHAB C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 41781448 MRZBUOODBGGOHT-JTQLQIEISA-N 271.282 3.720 0 40 CHAB CSc1ccccc1C(=O)c1cc(F)cc(F)c1 43210230 HFSGHVIULJQMBW-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB Cc1noc(C)c1CN1CCC[C@H]1c1ccsc1 46089362 QPRIYYBDMORMML-AWEZNQCLSA-N 262.378 3.690 0 40 CHAB FC(F)(F)COCc1ccc(Br)cc1 49600884 GYXXWHRUHJZKDE-UHFFFAOYSA-N 269.060 3.528 0 40 CHAB Cc1cc(NC(=O)c2sccc2-c2ccccc2)n(C)n1 56081145 WZPMFGOVUZRBNF-UHFFFAOYSA-N 297.383 3.709 0 40 CHAB CCN(Cc1c(F)cccc1F)Cc1c(C)noc1C 59409714 AZKNKMWIJZHMOI-UHFFFAOYSA-N 280.318 3.592 0 40 CHAB FC1[C@](F)(Cl)[C@](F)(Cl)[C@@](F)(Cl)[C@@]1(F)Cl 64220162 FQFOJXUQZIYKKN-TXICZTDVSA-N 297.865 3.957 0 40 CHAB CC1(C)C[C@@]1(Cn1ccnc1-c1c[nH]cn1)c1ccccc1 71738411 LYCCUHKVEMFBDE-GOSISDBHSA-N 292.386 3.641 0 40 CHAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1[nH]nc(C2CC2)c1C 76989884 VGTQUBDMRFALBI-CABCVRRESA-N 295.386 3.646 0 40 CHAB Cc1c(F)cccc1[C@H](O)c1cccc(Br)c1 95730281 BJUOBXJKXPZVKX-CQSZACIVSA-N 295.151 3.978 0 40 CHAB Cc1coc(-c2cccc(N[C@@H]3C[C@H](C)N(C)C[C@@H]3C)c2)n1 97232189 NWIFTSMLJPWXKM-RVSPLBMKSA-N 299.418 3.791 0 40 CHAB c1ccc(-c2cc(N3CCOCC3)nc3ccccc23)cc1 100889086 AJQOTHNDQGQYEG-UHFFFAOYSA-N 290.366 3.738 0 40 CHAB Cc1cccc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 101397776 UQOHXOZETQDWMQ-NHIYQJMISA-N 257.377 3.550 0 40 CHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N(Cc1cccs1)C1CC1 107489706 HQJCOABFGVOYEV-HUBLWGQQSA-N 275.417 3.675 0 40 CHAB O=C(c1cccc(OC(F)(F)F)c1)C(F)(F)Cl 129287550 IBFOAPMGLZQUKD-UHFFFAOYSA-N 274.572 3.600 0 40 CHAB Cc1ccc(NC(=O)C2(c3ccc(N)cc3)CC2)cc1C 158772164 BRHOFBWEIRERFD-UHFFFAOYSA-N 280.371 3.556 0 40 CHAB COc1ccccc1CN(C)C(=O)/C=C/c1ccc(C)cc1 192826775 WLVGIRXRHBXJAT-OUKQBFOZSA-N 295.382 3.675 0 40 CHAB Fc1ccc([C@H]2C[C@H]2c2nc(-c3ccncc3)no2)c(F)c1 193198401 SKMHHLPWFCRLEH-CHWSQXEVSA-N 299.280 3.681 0 40 CHAB O=C(Cc1ccnc2ccccc12)OCc1ccccc1 199812501 SLDCYSANDZZOTC-UHFFFAOYSA-N 277.323 3.521 0 40 CHAB Cc1cnc(NC(=S)NC2CCCCC2)c(Cl)c1 224037162 VFBOKBVPVFFDSA-UHFFFAOYSA-N 283.828 3.663 0 40 CHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCC2CCCCC2)c1 224611821 UYIYZASKZGSHMM-HNNXBMFYSA-N 289.419 3.767 0 40 CHAB Cc1ccnc(NC(=S)N[C@@H](C)CCc2ccccc2)c1 225202428 ARDSUSHRJHAIQF-AWEZNQCLSA-N 299.443 3.698 0 40 CHAB Cc1ccccc1C(=O)Nc1c(C)cc(N)cc1Cl 226756515 RLYKJVKWZGEGBK-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Fc1ccc(Nc2ncnc(C3CC3)c2F)cc1F 1889130353 OVTHOKVBEFUASI-UHFFFAOYSA-N 265.238 3.515 0 40 CHAB O=c1sc2ccccc2c2c1ncn2Cc1ccccc1 247621 XDQRFXRIKSCFJC-UHFFFAOYSA-N 292.363 3.660 0 40 CHAB Cc1ccc(Nc2nc([C@]3(C)CCC(=O)O3)cs2)cc1 289430 OYGUJBFUZZGDPN-HNNXBMFYSA-N 288.372 3.747 0 40 CHAB c1coc(-c2cc3cccc[n+]3cc2-c2ccco2)c1 384095 OQSOIWRLPDEYPO-UHFFFAOYSA-N 262.288 3.945 0 40 CHAB Cc1cc(C)c2oc(-c3ccc(C(=O)O)cc3)cc(=O)c2c1 1961549 DUDICPJKGNYCIT-UHFFFAOYSA-N 294.306 3.775 0 40 CHAB CCOc1ccccc1OCC(=O)Nc1cccc(C)c1C 3458260 WSDODPHYWPCFIX-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB Cc1ccc2cc(CN[C@@H]3CCCC[C@@H]3C)c(=O)[nH]c2c1 4130447 FRGXALQPKZYEGR-XJKSGUPXSA-N 284.403 3.505 0 40 CHAB COc1ccc(Nc2cc(-c3ccccc3)n[nH]2)cc1 4767207 LQRRHHYUURZIRS-UHFFFAOYSA-N 265.316 3.829 0 40 CHAB CC(C)CCNc1ncnc2c1oc1ccccc12 5188843 WKBXVHUSBQEMJQ-UHFFFAOYSA-N 255.321 3.834 0 40 CHAB CC(SCCN)(c1ccccc1)c1ccccc1 6050118 JJJUJZRAJMGOIW-UHFFFAOYSA-N 257.402 3.642 0 40 CHAB Cc1ccc(NC(=S)NC2CCCCC2)cc1C 6331227 FHKXJJWNSKVQPW-UHFFFAOYSA-N 262.422 3.923 0 40 CHAB Cc1[nH]c2ccc(C(=O)N3CCC(C)CC3)cc2c1C 7007423 SEVKNQHOJMNNSZ-UHFFFAOYSA-N 270.376 3.657 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc(C)c(F)c1 7950626 GRIBKZXYHRIOAI-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB CCCCC[C@H](C)NC(=O)c1ccc2cc[nH]c2c1 8879289 XTAMJMHUYZLTGD-LBPRGKRZSA-N 258.365 3.867 0 40 CHAB biogenic CSCc1ccc(C(=O)Nc2ccccc2O)cc1 9885304 MBCXVWVNSKIFLZ-UHFFFAOYSA-N 273.357 3.508 0 40 CHAB Cc1ccc(CCC(=O)NCCCc2cccc(C)c2)cc1 10110790 OBBBJTHZUHBTOG-UHFFFAOYSA-N 295.426 3.985 0 40 CHAB CCCn1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)nc2ccccc21 12540685 KUNWDXMSOCRNOV-BFHYXJOUSA-N 297.402 3.821 0 40 CHAB Cc1cccc(NC(=O)N[C@@H](C)c2ccccn2)c1C 13331888 TXXJESRVVABIDN-ZDUSSCGKSA-N 269.348 3.581 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1Cl 13668724 URWIBVNYIWOALU-LLVKDONJSA-N 271.747 3.931 0 40 CHAB CC(=O)c1ccccc1OCc1nc2ccccc2nc1C 16265486 QYILVPSXPJMYFE-UHFFFAOYSA-N 292.338 3.720 0 40 CHAB CC(C)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 16307006 HHPBQOCFWUBILG-UHFFFAOYSA-N 282.412 3.953 0 40 CHAB Cc1cccc(NC(=O)[C@@H](C)Sc2ccc(N)cc2)c1 17009682 IOBOZATWQHICHW-GFCCVEGCSA-N 286.400 3.697 0 40 CHAB CC(=O)c1c(C)nc(Nc2nc3ccccc3s2)nc1C 17195440 ZIJFJKIWFDRCRB-UHFFFAOYSA-N 298.371 3.649 0 40 CHAB Cc1cc(C)cc(CSCC(=O)N(C)C2CCCC2)c1 20106679 SWPZBLNDUHZEHJ-UHFFFAOYSA-N 291.460 3.938 0 40 CHAB Cc1nc(-c2ccc(N[C@@H]3CN4CCC3CC4)cc2)cs1 20441733 DNGWBFXECJFYDW-MRXNPFEDSA-N 299.443 3.625 0 40 CHAB O=C(NCc1cccs1)Nc1nc2ccccc2s1 22386223 LEZSDYZMTRECHH-UHFFFAOYSA-N 289.385 3.680 0 40 CHAB CC(C)N(C(=O)/C=C/c1ccc(Cl)cc1)C(C)C 23397334 FRNCLZLOSNLTKC-JXMROGBWSA-N 265.784 3.999 0 40 CHAB CC(C)[C@@H](NC(=O)CCc1cccnc1)c1ccccc1 23773036 IUSKBGGFPWNZQT-GOSISDBHSA-N 282.387 3.528 0 40 CHAB COc1ccc([C@H](C)NC(=O)CCc2ccc(C)cc2)cc1 30854850 BNOAJBHCGPAJOZ-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32818740 JGBAGSHEFSYHMD-GXSJLCMTSA-N 272.348 3.720 0 40 CHAB CO[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@H]1C 36094351 QMTKQILBJORGOU-GADXADSLSA-N 273.376 3.612 0 40 CHAB CCCCN1C(=O)S/C(=C\Nc2cccc(C)c2)C1=O 36636207 KIGIGJSZOPZHBT-RAXLEYEMSA-N 290.388 3.744 0 40 CHAB O=C(Cc1ccccc1Cl)N1CC[C@@H](c2ccccc2)C1 38567051 FHGKKJDHEDLAIJ-MRXNPFEDSA-N 299.801 3.899 0 40 CHAB C[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 40160776 UUKALZGDWRYPOI-GFCCVEGCSA-N 265.784 3.531 0 40 CHAB Cc1ccccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 40977629 RLGCYOMFVAOEET-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB Fc1cccc(Oc2ccc(Br)cn2)c1 42389099 IGNBVJSHHGWJMR-UHFFFAOYSA-N 268.085 3.776 0 40 CHAB Cc1ccc(/C=C/C(=O)NCC2CCCCC2)cc1 43765079 FXOXOFOLHSVUCF-VAWYXSNFSA-N 257.377 3.705 0 40 CHAB Cn1c(Sc2ccc(Cl)cc2)nc(Cl)c1C=O 58177674 AXBCEKRQUFCFRF-UHFFFAOYSA-N 287.171 3.691 0 40 CHAB Clc1cc(Br)ccc1CN1CCCC1 60876076 BNIJHZLSHWWWCJ-UHFFFAOYSA-N 274.589 3.698 0 40 CHAB COCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 68740797 ARLAAYJKYBKUQV-UHFFFAOYSA-N 291.734 3.717 0 40 CHAB Cc1ccn(Cc2ccc(Cl)c(Cl)c2)c(=O)c1 71513627 BEBLMCOTUQITJL-UHFFFAOYSA-N 268.143 3.512 0 40 CHAB COc1ccc(-c2cc(-c3ccc(C)s3)nc(N)n2)cc1 71977383 VWXGWUKJUWCSLS-UHFFFAOYSA-N 297.383 3.771 0 40 CHAB c1cnc(NC2CCCCC2)c([C@@H]2CCCCN2)c1 72214030 LOFUKWMDHHUUGW-HNNXBMFYSA-N 259.397 3.641 0 40 CHAB Cc1nc(Cl)cc(N2CC[C@@H]2c2ccccc2F)n1 72313856 XEJMAJRYLLLAQI-GFCCVEGCSA-N 277.730 3.529 0 40 CHAB CCCCC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 72402732 WIYSHNVVTMNCMX-CQSZACIVSA-N 287.363 3.543 0 40 CHAB C[C@@H](NCc1ccnc(OCC2CC2)c1)c1cccs1 95422229 VIWFZMRNWQGUKM-GFCCVEGCSA-N 288.416 3.783 0 40 CHAB CC[C@H](SC)C(=O)Nc1cc(C(C)C)c(O)cc1C 95431433 ZLKMXCUATAYNGW-AWEZNQCLSA-N 281.421 3.904 0 40 CHAB CCCCCOc1cc(C(=O)CC)ccc1OC 95739969 UBWIBDCKKDCVEL-UHFFFAOYSA-N 250.338 3.857 0 40 CHAB FC(F)(F)SCCNCc1ccc(Cl)cc1 95918365 LMZASAQBJIIFMX-UHFFFAOYSA-N 269.719 3.683 0 40 CHAB Cc1ccc(-c2nc(C(N)=O)c(Oc3ccccc3)o2)cc1 96346014 XYSDDWDYUZWTAG-UHFFFAOYSA-N 294.310 3.541 0 40 CHAB Cc1nc2ccc(NC(=O)Nc3ccc(O)cc3C)cc2o1 97104717 LLQHCSKQJUTMTL-UHFFFAOYSA-N 297.314 3.794 0 40 CHAB CCCn1c(C)nnc1CN[C@@H](C)c1cc(C)sc1C 97109665 GGPWYUGRTIEGEM-NSHDSACASA-N 292.452 3.526 0 40 CHAB Cc1nc(CN2CCC(=Cc3ccccc3)CC2)oc1C 98018758 LWQVLFHQBPIWSX-UHFFFAOYSA-N 282.387 3.971 0 40 CHAB O=C1Nc2ccccc2[C@H]1Cc1cccc(OC(F)F)c1 101667347 CNIGXFLYSGRGTQ-CYBMUJFWSA-N 289.281 3.566 0 40 CHAB CN(C(=O)CC1=CCCCC1)c1nc2ccccc2o1 106606189 IELVEJXPZHLROC-UHFFFAOYSA-N 270.332 3.681 0 40 CHAB CCCO[C@](C)(C(=O)Nc1ccc(OCC)cc1)C1CC1 225670593 IFLPWNOTCXTJHP-KRWDZBQOSA-N 291.391 3.619 0 40 CHAB COc1ccc(C(=O)NC2CCCCCC2)cc1Cl 225680589 IHFSFLQIZBCDBO-UHFFFAOYSA-N 281.783 3.801 0 40 CHAB Cc1cccc(NC(=S)NC2(C(C)C)CCCC2)n1 225873111 VPBXEONFUQQHGZ-UHFFFAOYSA-N 277.437 3.645 0 40 CHAB CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccco2)C1 252581647 HCACSSNDKLCPTC-CRWXNKLISA-N 293.432 3.516 0 40 CHAB Cc1cc2c(cc1C)N([C@H](C)C(=O)O)C(C)(C)C[C@H]2C 260612803 BCORGBKIZUXZMR-CHWSQXEVSA-N 275.392 3.869 0 40 CHAB Cc1nc2cc(C(C)C)cc(Br)c2[nH]1 575423264 LUIMNSKPWUVGES-UHFFFAOYSA-N 253.143 3.757 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccc(CO)c1 616613254 JFVJNGDAJDCTQW-OAHLLOKOSA-N 291.391 3.641 0 40 CHAB CC(C)c1cc(N2CCCC2)nc2c(O)cccc12 685938509 WFIXEHSFNFNDDV-UHFFFAOYSA-N 256.349 3.664 0 40 CHAB COC(=O)[C@@H]1C[C@H]1c1ccc(-c2ccccc2)cc1 1857793760 IMHNLFFAEHEJAQ-JKSUJKDBSA-N 252.313 3.630 0 40 CHAB Fc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccco1)N2 3642811 BGXDUIOHIMCBER-VQISRLSMSA-N 259.280 3.663 0 40 CHAB O=C(Cc1cccc2ccccc12)NCCc1ccccc1 975639 LAKMLJUDDCHSIY-UHFFFAOYSA-N 289.378 3.741 0 40 CHAB Cc1cc(C(F)(F)F)c(C(=O)c2ccccc2)[nH]1 1396638 BTDXGJMHXWLGHE-UHFFFAOYSA-N 253.223 3.573 0 40 CHAB CCc1ccccc1NC(=O)N[C@H](C)c1ccncc1 43403073 SFCGEAYZZRQXIE-GFCCVEGCSA-N 269.348 3.527 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)c1cn(C)c2ccccc12 12595600 CWOUGWLEINABRW-ZDUSSCGKSA-N 290.366 3.770 0 40 CHAB C=Cn1ccc2c1C[C@H]1CC[C@H]2N1Cc1ccccc1 100485341 FAIWHDAYVNRBGS-NVXWUHKLSA-N 264.372 3.850 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1-n1cccn1 48152361 BLLBGXZTFZPATB-UONOGXRCSA-N 298.390 3.573 0 40 CHAB COc1ccc(NC(=O)C2(C)CCCCC2)c(OC)c1 59435477 DVDOETGGCRNODZ-UHFFFAOYSA-N 277.364 3.613 0 40 CHAB C[C@]12CC3CC(C(=O)N4CCCC4)(C1)C[C@](C)(C3)C2 100230586 NLFKLCRVPYQIRK-JCUPBUFNSA-N 261.409 3.605 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccc(F)cc2)cc1 10331595 WRCZYXPGFFMVDJ-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 59271605 FHFCUNBRCLXXNQ-AWEZNQCLSA-N 288.734 3.631 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)cc1F 113948290 QNSANXPHDUNFLY-LLVKDONJSA-N 291.297 3.679 0 40 CHAB Cc1ccc(CSc2nc3ccccc3c(=O)n2C)cc1 3416383 LCYNQMSGRBEIHC-UHFFFAOYSA-N 296.395 3.534 0 40 CHAB Fc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccco1)N2 4124852 BGXDUIOHIMCBER-LKTVYLICSA-N 259.280 3.663 0 40 CHAB CN(C)c1ccc([C@H]2OCCC3(CCCCC3)O2)cc1 4395328 GYIPWEFNAWFESF-INIZCTEOSA-N 275.392 3.891 0 40 CHAB CSc1cccc(NC(=O)N2CCc3ccccc3C2)c1 6408387 PLUHCLRNJPAEIN-UHFFFAOYSA-N 298.411 3.999 0 40 CHAB Brc1ccc2c(c1)[C@H]1CCCC[C@@H]1N2 71484271 FWGKDJGZEJDJEF-KOLCDFICSA-N 252.155 3.901 0 40 CHAB CC1CCC(=CC(=O)N2CCn3cccc3[C@@H]2C)CC1 72285160 ASOQFZGXJPKAIV-KZUDCZAMSA-N 272.392 3.528 0 40 CHAB Cc1cc(=O)oc2cc(OC[C@H]3CC3(Cl)Cl)ccc12 8006672 DFEUKVDSAFOVDW-SECBINFHSA-N 299.153 3.674 0 40 CHAB COc1ccccc1CC(=O)Nc1ccc(F)cc1Cl 9514765 NQKFUPLOZRYTFW-UHFFFAOYSA-N 293.725 3.669 0 40 CHAB C(=C/c1cnc2ccccc2n1)\c1ccc2c(c1)OCO2 16997783 LGIOSNXCCIPHHL-FNORWQNLSA-N 276.295 3.529 0 40 CHAB Cc1ccc([C@H]2CCCN2C(=O)Nc2ccncc2)cc1 84148751 CQYIOZWRZPEBPW-MRXNPFEDSA-N 281.359 3.759 0 40 CHAB CNC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 89904930 PPRKCNBHOQGENK-ZDUSSCGKSA-N 298.386 3.694 0 40 CHAB CCC1=C(c2ccc(OC)cc2)CC[C@H](C(=O)O)[C@H]1C 1843259 VJKVHUZOVAWKEB-NHYWBVRUSA-N 274.360 3.990 0 40 CHAB biogenic,in-vitro Cc1ccccc1O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 30752466 SPTSJUMQZJFJJL-CABCVRRESA-N 295.382 3.740 0 40 CHAB COc1cccc([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)c1 32889864 XLUJCNVKVZMYRB-WMLDXEAASA-N 285.387 3.715 0 40 CHAB CCC(=O)c1cnc(OCc2ccccc2)c(C)c1 72222381 KGTRGNDNOQQGBI-UHFFFAOYSA-N 255.317 3.562 0 40 CHAB CC[C@@H](O)c1cnc(N2CCCc3ccccc32)cc1C 72223919 RDQXPWFKFDYPKB-QGZVFWFLSA-N 282.387 3.918 0 40 CHAB CN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 72238806 WCBXDBDMOKDCJS-UHFFFAOYSA-N 283.400 3.662 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 42124329 XIILEDLBQPLDFK-UONOGXRCSA-N 277.408 3.800 0 40 CHAB CCCCCNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 44850324 AHLSQWGYCRGTGI-INIZCTEOSA-N 277.408 3.767 0 40 CHAB CCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1C 225724610 JBNKMFBVBSVZEY-QGZVFWFLSA-N 291.391 3.537 0 40 CHAB CCOCCCNc1nc(-c2ccncc2Cl)cs1 225455311 IVPVZMKTBJGCBM-UHFFFAOYSA-N 297.811 3.697 0 40 CHAB C[C@H]1CC(=O)c2cnn(-c3c(Cl)cccc3Cl)c2C1 199727497 FYUBOPKGMXROCQ-MRVPVSSYSA-N 295.169 3.944 0 40 CHAB O=C1CCCc2c1cnn2-c1c(Cl)cccc1Cl 199727477 XVUROHASTNCTDL-UHFFFAOYSA-N 281.142 3.698 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCCCCC1 40050047 GCGBXHROUOSWRE-KGLIPLIRSA-N 272.392 3.662 0 40 CHAB COc1ccc(CC(=O)N[C@@H](C)c2ccccc2C)cc1C 224857461 KMHNDWQTSCRJOT-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB CCCCN[C@@H](CC)c1cc(OC)ccc1OC 222635857 PXPMVKUFUAJCKZ-AWEZNQCLSA-N 251.370 3.545 0 40 CHAB OCc1csc(-c2ccc(OCc3ccccc3)cc2)n1 95748768 CFEIMXRFSVCJMO-UHFFFAOYSA-N 297.379 3.881 0 40 CHAB CC(C)Oc1c(Br)ccc(F)c1F 90411450 KPOMDAQNELQWAQ-UHFFFAOYSA-N 251.070 3.515 0 40 CHAB Cc1cc(C)c2cc(F)c(Br)nc2c1 90376416 XWPWYIHENUAIAK-UHFFFAOYSA-N 254.102 3.753 0 40 CHAB CC[C@H](c1ccccc1)c1nc(-c2ccc(N)cc2)n[nH]1 642882631 WPOXFZIHYNMEGW-OAHLLOKOSA-N 278.359 3.596 0 40 CHAB c1ccc(C2CC3(C2)CN(c2ccnc(C4CC4)n2)C3)cc1 1775995671 DLDQWQBPHSGDAI-UHFFFAOYSA-N 291.398 3.738 0 40 CHAB CC[C@H](C)N1C(=O)S/C(=C\c2cccs2)C1=O 981088 VAVNDNCAKMXOHY-LRUQUBRESA-N 267.375 3.583 0 40 CHAB COC(=O)[C@@H](C/C=C(\C)c1ccc(Cl)cc1)C(C)=O 5810057 VAKUUPTXOJWYOT-DEYRLNKFSA-N 280.751 3.512 0 40 CHAB CC(C)[C@@H](NC(=O)c1cc(C2CC2)on1)c1cccs1 12146572 ZKCVTRDBOHFDTJ-CQSZACIVSA-N 290.388 3.741 0 40 CHAB CC(C)C[C@H](NCc1c(Cl)cccc1Cl)C(=O)O 19787820 HHFZGANQOAQIFB-LBPRGKRZSA-N 290.190 3.582 0 40 CHAB Cc1cc(NC(=O)c2cccc(Cl)c2)c(C)cc1O 3073889 XTOBUGYYGVZHKO-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 13708802 HWCVNARIRNTRTI-OLZOCXBDSA-N 271.360 3.522 0 40 CHAB CON[C@H](C)Cc1c(Cl)cc(Cl)cc1Cl 118734559 YEYSNJKFDGOAAP-ZCFIWIBFSA-N 268.571 3.729 0 40 CHAB in-vitro C[C@@H](NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C)c1ccccc1 16804824 YRRGAAPZEMLIFP-ZNZDAUKMSA-N 299.414 3.649 0 40 CHAB Cc1cccc(CC(=O)N2CC[C@H](c3ccccc3)C2)c1 38566912 ROHQRMYPMYHZHO-SFHVURJKSA-N 279.383 3.554 0 40 CHAB Cc1ccccc1C(=O)NCc1ccc(-c2ccoc2)o1 575611503 VTJBHNYCEDQJFU-UHFFFAOYSA-N 281.311 3.778 0 40 CHAB CCC[C@H](Oc1ccc(C(C)C)cc1C)C(=O)O 8730646 BCJLYVHEJXJJFM-AWEZNQCLSA-N 250.338 3.751 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 12494147 MUMGGOZAMZWBJJ-LHIBYTEYSA-N 288.431 3.879 0 40 CHAB biogenic CCN(Cc1csc(C)n1)[C@@H](C)c1cccc(O)c1 79020188 UCNSEHXGZHNSQW-NSHDSACASA-N 276.405 3.740 0 40 CHAB C[C@@]1(C(=O)NCCC2CCCCC2)CC1(Cl)Cl 40074539 JEMKQULHUNZPJL-LBPRGKRZSA-N 278.223 3.657 0 40 CHAB c1ccc2c(c1)CCCC[C@@H]2NCc1nccs1 41011574 UECRVJPVNUDVAN-AWEZNQCLSA-N 258.390 3.700 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cn1)Oc1ccccc1 21301119 ZTAZLDHQURMTRV-UHFFFAOYSA-N 282.221 3.711 0 40 CHAB Cc1cc(C)cc(NC(=O)CCc2ccccc2)c1 311680 KNSSQWHQKZNZAV-UHFFFAOYSA-N 253.345 3.875 0 40 CHAB Cc1ccc([C@@H](O)c2coc3ccc(O)cc23)cc1 491339 KWSRPOMWDPYWQN-MRXNPFEDSA-N 254.285 3.529 0 40 CHAB biogenic CC(C)[C@H](CCN1C(=O)c2ccccc2C1=O)c1ccco1 532177 QPVNLIQYNOWGTK-ZDUSSCGKSA-N 297.354 3.706 0 40 CHAB Fc1ccc(CSc2nnc(-c3ccco3)o2)cc1 549199 SNCXZYRLZLEOLE-UHFFFAOYSA-N 276.292 3.761 0 40 CHAB COc1ccc(-c2c(C(=O)O)[nH]c3ccccc23)cc1 1565265 YMCBOVUBWVQGIK-UHFFFAOYSA-N 267.284 3.542 0 40 CHAB c1ccc2sc(SN3CCCCC3)nc2c1 1737431 CAHGZULPDQXGMZ-UHFFFAOYSA-N 250.392 3.789 0 40 CHAB CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@H]4O)[C@@H]2CCC1=O 2563048 LKABUQNJWMHBKS-INRFCZIPSA-N 288.431 3.879 0 40 CHAB biogenic CC(C)OCCCNCc1cccc(Cl)c1Cl 2598912 DYGKGAHFAZYCOE-UHFFFAOYSA-N 276.207 3.898 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)Nc1cc(F)ccc1C 3418004 YCQSYBSSFCHVMQ-INIZCTEOSA-N 287.334 3.930 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1Br 3621497 CYNDPQIFBMMXGW-MFKMUULPSA-N 296.208 3.758 0 40 CHAB C[C@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC[C@@]3(C)OC=O 4582596 AHZYNUWTBDLJHG-XNHWPECASA-N 250.382 3.791 0 40 CHAB Nc1ncc(Cc2ccc(SC(F)F)cc2)s1 5016873 BYVPHLXWYKWTDF-UHFFFAOYSA-N 272.345 3.631 0 40 CHAB Cc1cccc(CSc2nnc([C@@H](N)CC(C)C)o2)c1 5123782 XWHLGCYDFZAANZ-ZDUSSCGKSA-N 291.420 3.716 0 40 CHAB O=C(Nc1cccc(Cl)c1)c1c(F)cccc1F 5560107 LZWCYTYURGFFOM-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB CCCCC[C@H](C)NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)O 5826109 ZKMOMRBJRDQHJW-SOUVJXGZSA-N 295.423 3.519 0 40 CHAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1cccs1 6220480 BSDQBPCVSJAEAO-JTQLQIEISA-N 295.791 3.658 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@@H]1c1ccccc1 6340903 MQPGNHOUIMXJOI-UHEPKEFZSA-N 295.426 3.875 0 40 CHAB CC(C)c1ccc(Cn2cnc3ccccc3c2=O)cc1 6841974 MFPLWUFJQOCNJI-UHFFFAOYSA-N 278.355 3.568 0 40 CHAB CCN(CC)C(=O)CCSc1ccc(Cl)cc1 6937538 OKQXCHRHUMZBLG-UHFFFAOYSA-N 271.813 3.691 0 40 CHAB O=C(NC1CCCC1)c1ccc(C2SCCS2)cc1 8081273 FIHGDQFHKCPAQO-UHFFFAOYSA-N 293.457 3.838 0 40 CHAB C[C@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 8303892 BVPSHOQAAUTULM-CYBMUJFWSA-N 278.355 3.701 0 40 CHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1 8320470 YTCSQXIPAGPEMR-AWEZNQCLSA-N 286.400 3.524 0 40 CHAB Cc1ccc(CNc2ccc3[nH]ncc3c2)c(C)c1 8556696 LQRMVAOHLPVKOR-UHFFFAOYSA-N 251.333 3.792 0 40 CHAB CCCC(=O)Nc1nnc(CSc2ccccc2)s1 9668485 NFIMEINSDLTHBO-UHFFFAOYSA-N 293.417 3.569 0 40 CHAB O=C(NCc1ccccc1OC(F)F)Nc1ccccc1 10465017 LVVCGFYBXBRNTP-UHFFFAOYSA-N 292.285 3.610 0 40 CHAB Cc1cc2n(n1)[C@H](c1ccccc1)Nc1ccccc1-2 13132415 UOPUWDHABWQXES-QGZVFWFLSA-N 261.328 3.831 0 40 CHAB CC(=O)Oc1c(C(C)(C)C)cc(O)cc1C(C)(C)C 13451031 SKKZEOWXZNQGGG-UHFFFAOYSA-N 264.365 3.913 0 40 CHAB S=C(NCc1ccccc1)c1ccc(Cl)cc1 13547002 LPZIRIQCORGDDX-UHFFFAOYSA-N 261.777 3.805 0 40 CHAB CCOc1ccc(-c2nc3ccc(C)cc3c(=O)o2)cc1 13955118 XKLRZAJTDWOUFE-UHFFFAOYSA-N 281.311 3.562 0 40 CHAB COc1ccc(CC(=O)N2CCCc3ccccc32)cc1C 13972035 SLUGHYLWXDJAGZ-UHFFFAOYSA-N 295.382 3.526 0 40 CHAB CCC[C@@H](C)COc1ccc(Br)cc1N 14630934 NBRLDNHLGPRUCB-SECBINFHSA-N 272.186 3.846 0 40 CHAB CCCS[C@@H]1C(C)=C(C)C(=O)N1CCC(C)C 19907268 LXGGIMFCLYEJFO-CQSZACIVSA-N 255.427 3.680 0 40 CHAB Cc1ccnn1-c1ccc(C(=O)N(C)C2CCCCC2)cc1 21004585 JUIOSYSGKNNMRH-UHFFFAOYSA-N 297.402 3.585 0 40 CHAB Cc1ccc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)o1 28925562 TZQNBPKFAINPPB-CYBMUJFWSA-N 298.386 3.787 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(OC2CCCC2)c1 29028403 JDXOJYLZNQXQLU-IAQYHMDHSA-N 259.349 3.603 0 40 CHAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1 30753021 BYLAPWNKSIJHHU-YQJFHSMKSA-N 299.345 3.725 0 40 CHAB COc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1 32818525 OXAHBELTVVZOQD-UHFFFAOYSA-N 280.327 3.737 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2C(=O)c1ccccc1 35976669 IVDVAMTYPIOUEQ-OGHNNQOOSA-N 256.345 3.511 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1c(F)cc(F)cc1F 37358895 FBMQSORAHFQFFF-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1CC=CCC1 40159671 POJNPAPIIRTLBA-CYBMUJFWSA-N 293.794 3.534 0 40 CHAB CN(C(=O)CCSc1ccccc1)C1CCCCC1 42137045 JTXORIHZBGHJLY-UHFFFAOYSA-N 277.433 3.960 0 40 CHAB Clc1ccc2ccc(/C=C/c3csnn3)nc2c1 44026570 BVFFBSHMULJKKU-AATRIKPKSA-N 273.748 3.910 0 40 CHAB CCCCCC(=O)Nc1ccc(-n2ccnc2)c(F)c1 48342488 QKZRTFVXLGFZJK-UHFFFAOYSA-N 275.327 3.530 0 40 CHAB Clc1ccc([C@@H](NC[C@@H]2CCCCO2)C2CC2)cc1 49900035 VBUGGBZITDYIBV-HOTGVXAUSA-N 279.811 3.950 0 40 CHAB O=C(O)c1ccc(OCc2ccccc2)cc1C(F)(F)F 54552757 QCAFZNKCCQBFSN-UHFFFAOYSA-N 296.244 3.983 0 40 CHAB CCCCN1CCC[C@H]1c1cc(OC)ccc1OC 57621210 YUEUWBBCKUTPEO-HNNXBMFYSA-N 263.381 3.641 0 40 CHAB CNc1nc2c(s1)[C@@H](c1ccccc1Cl)CC(O)=N2 61719924 GXCZORCPNBRLDR-MRVPVSSYSA-N 293.779 3.962 0 40 CHAB CS[C@@H](C)C(=O)Nc1cnccc1Oc1ccccc1 65538047 KNADGLAKKFLILL-NSHDSACASA-N 288.372 3.564 0 40 CHAB CCC(=O)Nc1ccc(-c2c(F)cccc2OC)c(C)n1 67755594 XURPDNZJYDJCIV-UHFFFAOYSA-N 288.322 3.553 0 40 CHAB Cc1cc(CNC(=O)c2cc3ccccc3o2)c(C)o1 70640346 KQKCKWRRJHNKRK-UHFFFAOYSA-N 269.300 3.573 0 40 CHAB O=C1N=C(Nc2cccc(F)c2)/C(=C/c2cccnc2)S1 71284182 YJCAZBYQABJWNP-QPEQYQDCSA-N 299.330 3.939 0 40 CHAB CC(=O)N1CCC[C@H]1c1cccnc1N(C)c1ccccc1 72214252 PAAVPOLJNPMLBP-KRWDZBQOSA-N 295.386 3.533 0 40 CHAB CCCN1CCC[C@@H]1c1ccc(SCC)nc1 72217122 HTKYFDSUNVNCOG-CYBMUJFWSA-N 250.411 3.741 0 40 CHAB NC(=S)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 73634030 KEJDJPDJLBBVKL-UHFFFAOYSA-N 288.759 3.782 0 40 CHAB Nc1cccc(OCCC(F)(F)C(F)(F)C(F)F)c1 95094041 RIDHQBDJCDLHLG-UHFFFAOYSA-N 287.203 3.573 0 40 CHAB CC[C@@H](C)Oc1c(F)cc(Br)cc1F 95915380 HUCQBOWWSNTHMM-ZCFIWIBFSA-N 265.097 3.905 0 40 CHAB CCCCCCNC(=O)c1cccc2c1CCCC2 96171233 XYMVMDPMUPYXJC-UHFFFAOYSA-N 259.393 3.876 0 40 CHAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N(C)C)(C4)C2)C3)cc1 100482473 CNWVHXWWXFHUSC-MVYVIFSASA-N 297.442 3.921 0 40 CHAB O=C(Sc1nnc(-c2ccccc2)o1)c1ccccc1 196834158 WMWHMJYTXPVHJL-UHFFFAOYSA-N 282.324 3.669 0 40 CHAB CCCNCc1c(C)n(CC)c2ccc(OCC)cc12 223766157 YLTCNKIBZWFJHK-UHFFFAOYSA-N 274.408 3.868 0 40 CHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)CC 223827253 NAQBWLVRLYVERG-DYVFJYSZSA-N 289.419 3.638 0 40 CHAB CCCCc1ccc(N(CCC)[C@@H](C)C(=O)O)cc1 225003941 ZOXBFUDPLARLOU-ZDUSSCGKSA-N 263.381 3.719 0 40 CHAB CCc1ccccc1N(CC)S(=O)(=O)c1cccs1 225121811 XMPYMRQGRXEJNG-UHFFFAOYSA-N 295.429 3.526 0 40 CHAB O=C(O)Cc1ccc(OCCc2ccc(Cl)cc2)cc1 308414368 KXIQDUOBYBHTAE-UHFFFAOYSA-N 290.746 3.589 0 40 CHAB O=C(c1cc(C(F)(F)F)ccc1Cl)C(F)F 309514797 TXNOGRCSDSANTM-UHFFFAOYSA-N 258.573 3.807 0 40 CHAB CCn1c(-c2ccc(Cl)cc2)csc1=NC1CC1 575628213 DAEAXKYFWYCOCS-UHFFFAOYSA-N 278.808 3.953 0 40 CHAB CCc1[nH]c2ccc(C(F)(F)F)cc2c(=O)c1CC 685938756 WHDIFDPUIKRMFJ-UHFFFAOYSA-N 269.266 3.672 0 40 CHAB Cc1ncoc1-c1ccc(NC2CCSCC2)cc1 896707149 XSIMASOKYKDNFH-UHFFFAOYSA-N 274.389 3.958 0 40 CHAB CC(C)C[C@H](N)C1(c2ccc(F)c(F)c2)CCC1 1772714934 HHGLPBYHLDSGPW-AWEZNQCLSA-N 253.336 3.760 0 40 CHAB CCc1ccc(C(=O)c2cnc3ccc(F)cc3c2O)cc1 248801 KLARQSPOVMTYRJ-UHFFFAOYSA-N 295.313 3.873 0 40 CHAB COc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 289947 HIFHAZIXESJPBX-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB Cc1ccc(C)n1CCCN1CCCc2ccccc21 492991 RQIABWXEFTXELK-UHFFFAOYSA-N 268.404 3.948 0 40 CHAB Cc1ccc2[nH]c3c(N4CCC(C)CC4)ncnc3c2c1 502407 DBWDHYRVVGMGQK-UHFFFAOYSA-N 280.375 3.656 0 40 CHAB CC1(C)[C@@H]2C(Cl)(Cl)[C@@]2(C)c2ccccc2N1C=O 507540 ZIIPOTCZHKXENU-AAEUAGOBSA-N 284.186 3.503 0 40 CHAB COc1ccc(-c2nc3n(c2C)Cc2ccccc2-3)cc1 1292302 ZYCASFPOFAJMAJ-UHFFFAOYSA-N 276.339 3.896 0 40 CHAB CC(=O)c1cc(C)ccc1OC(=O)c1ccc(C)cc1 1505982 VJLDNZFSKOSRAY-UHFFFAOYSA-N 268.312 3.725 0 40 CHAB Cc1nn2c(-c3ccccc3)cnnc2c1-c1ccccc1 1582781 CIDNYYCPBAPRQO-UHFFFAOYSA-N 286.338 3.767 0 40 CHAB C[C@H]([C@H](O)c1cc2c(c3ccccc13)CCCC2)N(C)C 1706355 SDPZTOYYDSQEQV-YJYMSZOUSA-N 283.415 3.702 0 40 CHAB O=C(OCc1ccccc1)c1ccccc1Br 1961843 DUPARWHGHLJSTB-UHFFFAOYSA-N 291.144 3.806 0 40 CHAB O=C(Cc1cccc2ccccc12)N1CCc2ccccc21 2405296 AUHVYUMGUUERKP-UHFFFAOYSA-N 287.362 3.972 0 40 CHAB CC(C)(C)OC(=O)N1CCC(NC2CCCCCC2)CC1 2527165 UGNLRZAGDPPVIP-UHFFFAOYSA-N 296.455 3.698 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Cl)c1C 3330631 ICNPDJGQCFUKEJ-UHFFFAOYSA-N 290.750 3.740 0 40 CHAB O=C(c1ccc(Br)cc1)c1cc(F)cc(F)c1 4241598 NSSPHHIIJGNZTB-UHFFFAOYSA-N 297.098 3.958 0 40 CHAB CC[C@@H](C)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 6698689 PCNRZEGSQOPSIY-IOASZLSFSA-N 290.407 3.889 0 40 CHAB O=C(Cc1cccc(F)c1)N[C@@H]1CCCc2ccccc21 7263970 HHUJMGHEYAKSJH-QGZVFWFLSA-N 283.346 3.562 0 40 CHAB CCc1cccc(C)c1NC(=O)/C=C/c1c(C)nn(C)c1C 7653213 WOSCWJAQIRTFPH-ZHACJKMWSA-N 297.402 3.560 0 40 CHAB CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 7792450 RLQIVISKKSTTSE-KRWDZBQOSA-N 283.371 3.885 0 40 CHAB CC(C)CC(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 9420377 NPGRDTLARYUFAT-UHFFFAOYSA-N 299.374 3.600 0 40 CHAB Cc1sc2nc(-c3cccnc3)nc(NC3CC3)c2c1C 9549721 KRYKZZFVXFOEFK-UHFFFAOYSA-N 296.399 3.944 0 40 CHAB Fc1ccc(CSc2nc(C3CC3)n[nH]2)c(Cl)c1 12992247 IVKLWGZCNDAJIN-UHFFFAOYSA-N 283.759 3.767 0 40 CHAB CC[C@@H](C)c1ccc(NC(=S)N2CCCC2)cc1 13825742 WLAXXULXMMFIAQ-GFCCVEGCSA-N 262.422 3.993 0 40 CHAB Nc1ccc(OCCc2ccccc2)cc1C(F)(F)F 14630298 QEPORWBBINATBX-UHFFFAOYSA-N 281.277 3.909 0 40 CHAB C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H](O)CC[C@@H]12 17288002 IUFOPOQNYKRRML-FQQAFBJJSA-N 286.415 3.799 0 40 CHAB in-vitro CC(C)COc1ccc(CNCc2ccco2)cc1 19738001 QXRZDOQAYBRZGU-UHFFFAOYSA-N 259.349 3.604 0 40 CHAB Cc1ccc(C)c(Cn2nc(Cl)c3ccccc3c2=O)c1 20849600 CODGMWYVZSRHAP-UHFFFAOYSA-N 298.773 3.715 0 40 CHAB CC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(C)cc1 24969609 UMVYIXQDCMIVMW-AWEZNQCLSA-N 295.382 3.754 0 40 CHAB O=C(NCc1ccc(Cl)s1)c1c(F)cccc1F 25913382 XTNWQYYLQLRALQ-UHFFFAOYSA-N 287.718 3.610 0 40 CHAB C[C@H](c1cccs1)N(C)C(=O)C1CCCCC1 32841971 NPHMVOIMRAOHRB-LLVKDONJSA-N 251.395 3.848 0 40 CHAB Cc1cccc(-n2nc(C)cc2NC(=O)C[C@@H]2C=CCC2)c1 32859954 YGJSXLZAHYRDIG-OAHLLOKOSA-N 295.386 3.784 0 40 CHAB COc1ccc(S[C@H](C)C(=O)O)c(Cl)c1Cl 34765339 UHYAPYVXXQIHLF-RXMQYKEDSA-N 281.160 3.567 0 40 CHAB O=C(O)C1CCN(C(c2ccccc2)c2ccccc2)CC1 35287442 SILOAFMPRAWASK-UHFFFAOYSA-N 295.382 3.573 0 40 CHAB Nc1cccc(Nc2nc(-c3ccncc3)cs2)c1 36241810 JEDPSXMZZRBHHQ-UHFFFAOYSA-N 268.345 3.531 0 40 CHAB Cc1cccnc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 39975839 YLXNCTKPIBBRPR-SNVBAGLBSA-N 286.400 3.829 0 40 CHAB CCOC(=O)c1ccc(CNc2cccc(Cl)c2)o1 40175884 MMBQAMFRJFMULV-UHFFFAOYSA-N 279.723 3.722 0 40 CHAB CCc1ccc(NC(=O)Nc2cccc(C(=O)OC)c2)cc1 44844791 MNFCHFIFKIGQQM-UHFFFAOYSA-N 298.342 3.680 0 40 CHAB Cc1ccncc1C(=O)c1c(Cl)cccc1Cl 45029033 ASYOLOJEYCBUCA-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB O=C(NCc1ccc2ccccc2c1)c1ccccc1F 45201211 RHZHEEMOJYZQFH-UHFFFAOYSA-N 279.314 3.909 0 40 CHAB O=C(O)c1nc(C(F)(F)F)ccc1-c1ccccc1F 47206350 KFQOJMZJJHRNIK-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB Cc1ccc2cc(C(=O)N(C)Cc3ccc(C)o3)[nH]c2c1 48301663 SPYAHTHEELMPCN-UHFFFAOYSA-N 282.343 3.650 0 40 CHAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(Cl)cc1Cl 49543950 MSHJHMHXFLAGCL-VIFPVBQESA-N 296.157 3.851 0 40 CHAB CC[C@@H](Nc1ncnc2[nH]cnc12)c1ccc(Cl)cc1 51618917 WEQDKSWNQQHQAL-LLVKDONJSA-N 287.754 3.570 0 40 CHAB CCOC(=O)C[C@@H](c1ccccc1Cl)N1CCCCC1 72210312 ZRDZFHHCAQVINN-HNNXBMFYSA-N 295.810 3.820 0 40 CHAB CC[C@@H](C)C(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1C 72314124 DNDFVZAUWAJTHT-NXEZZACHSA-N 294.782 3.877 0 40 CHAB Cc1nccc([C@H]2CCCCN2Cc2ccc(F)cc2)n1 72379982 BEBAXZNQMAUMHS-QGZVFWFLSA-N 285.366 3.651 0 40 CHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccncc2)o1 75543959 ACVCVDNCUOGIIP-DOMZBBRYSA-N 299.374 3.988 0 40 CHAB C[C@@H]1CCN(Cc2cscn2)[C@H](c2ccco2)C1 76090243 VJKUZCRYJDKHIE-YPMHNXCESA-N 262.378 3.709 0 40 CHAB C[C@H](NC(=O)[C@@H]1CC=CCC1)C(C)(C)c1ccccc1 78743211 QLUUWDDYAWURJA-LSDHHAIUSA-N 271.404 3.825 0 40 CHAB Cc1ccc(N(Cc2ccc3c(c2)nnn3C)C(C)C)cc1 79105580 OGNKYGIFTWHTNY-UHFFFAOYSA-N 294.402 3.692 0 40 CHAB CCOC(=O)C[C@@H](C)SCc1ncc(C(C)(C)C)o1 79359033 FWFSYPIKEVNTEA-SNVBAGLBSA-N 285.409 3.547 0 40 CHAB COc1ccc(C(=O)c2cccc(F)c2Cl)cc1F 89064253 ZFSWDEMOMZQSOC-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB C[C@@H](NCCc1nc(-c2ccccn2)cs1)c1ccco1 90044588 GIAKNMDXUVVXDW-GFCCVEGCSA-N 299.399 3.691 0 40 CHAB FC(F)(F)c1cccc([C@@H](NCc2ncc[nH]2)C2CC2)c1 94015098 XNYHUGVTTHBFLD-AWEZNQCLSA-N 295.308 3.669 0 40 CHAB Cc1cc2c(cc1C)[C@H](N(C(=O)C1CC1)C1CC1)CCO2 95409003 AFGNEBYEONUDHS-MRXNPFEDSA-N 285.387 3.528 0 40 CHAB COc1ccc(F)c(NC(=O)c2ccc3ncccc3c2)c1 95410207 ALKIRZVITBPKIZ-UHFFFAOYSA-N 296.301 3.635 0 40 CHAB O=C1CCC(F)(F)c2ccc(Br)cc21 95643128 ZPJLEKVEBRLIAW-UHFFFAOYSA-N 261.065 3.517 0 40 CHAB CC[C@@H](C)Oc1ccc(Br)cc1OC 95915442 ANGJSPJRZCGLHZ-MRVPVSSYSA-N 259.143 3.635 0 40 CHAB O=c1[nH]c2c(Cl)cc(Cl)c(Cl)c2s1 95950034 SDMDWUGHXHPRHI-UHFFFAOYSA-N 254.525 3.550 0 40 CHAB COC(=O)c1ccc(/C=C/c2ccc(C(C)=O)cc2)cc1 96029404 CWSWJDRBVQPDCO-ONEGZZNKSA-N 280.323 3.846 0 40 CHAB Cc1ccc([C@H](C)NCc2noc(-c3ccsc3)n2)o1 97374019 ZYRBSMCLSMIRFS-JTQLQIEISA-N 289.360 3.550 0 40 CHAB NCC1(c2ccc(C(F)(F)F)cc2)CCCCC1 201984203 PGGTUNCWXAFOIJ-UHFFFAOYSA-N 257.299 3.866 0 40 CHAB CCOc1ccc(CCCNC(=O)Nc2ccccc2)cc1 222627455 DLXQIADWAFUKIJ-UHFFFAOYSA-N 298.386 3.840 0 40 CHAB Cc1cc(C)cc(O[C@H](Cc2ccc(C)cc2C)C(=O)O)c1 225025604 QKJAAGYFBDNGEV-GOSISDBHSA-N 298.382 3.995 0 40 CHAB CCOc1c(Br)cc(C(C)(C)C)cc1C=O 225276203 JABWQEGPZAMZQD-UHFFFAOYSA-N 285.181 3.958 0 40 CHAB CCc1ccc(Nc2ccc(C(=O)NC(C)C)cc2N)cc1 225420498 FAAZBGRBLAXGBN-UHFFFAOYSA-N 297.402 3.713 0 40 CHAB Nc1ccc([C@@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 226296909 AYOAXPIBPNLUTC-HXUWFJFHSA-N 287.362 3.922 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1CCN1[C@H](C)CCC[C@H]1C 246794222 RVIVTMWGPRUAIG-KLHDSHLOSA-N 252.446 3.512 0 40 CHAB O=C(OCc1ccccc1F)c1cccc(Cl)c1 255935837 YVZQRMQDZWVTSF-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB O=C(c1ccc(F)c2ccccc12)C(F)(F)Cl 575242664 DDYIJGZVOMUYMM-UHFFFAOYSA-N 258.626 3.993 0 40 CHAB FCc1cccc(C(F)(F)F)c1Br 1504206545 VRENDQIOGLXCKZ-UHFFFAOYSA-N 257.024 3.937 0 40 CHAB COc1ccc2c(c1)C(=O)Cc1ccccc1S2 347875 PKVRQYUJOLOWKW-UHFFFAOYSA-N 256.326 3.585 0 40 CHAB Nc1sc2c(c1C(=O)c1ccc(F)cc1)CCCC2 12398462 BINQLLMTIIAPTK-UHFFFAOYSA-N 275.348 3.579 0 40 CHAB CCOc1cccc(NC(=O)CCc2ccc(OC)cc2)c1 55767494 KTAUITPIKBRFKX-UHFFFAOYSA-N 299.370 3.665 0 40 CHAB Cc1ccc(C2=NN[C@]3(CCCC[C@@H]3C)S2)cc1 8372363 GNQZJEYYZZICGV-SWLSCSKDSA-N 260.406 3.899 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cc(C)nc3onc(C)c23)c1 26563157 GLARFRZTOUPYDM-UHFFFAOYSA-N 295.342 3.709 0 40 CHAB CCCCNc1ncnc2ccc(Br)cc12 1772891 ZLROIHKGNHTQOK-UHFFFAOYSA-N 280.169 3.604 0 40 CHAB O=C(Nc1ccc2c(c1)CCCN2)c1cccc(F)c1F 54189467 PEKVFPAIPZOXTR-UHFFFAOYSA-N 288.297 3.575 0 40 CHAB CC(C)(C)c1nc(CN2CCC[C@@H]2C2CCCCC2)no1 58208581 AXPMEHUGNPHDJN-CQSZACIVSA-N 291.439 3.912 0 40 CHAB Cc1ccncc1C(=O)c1ccccc1C(F)(F)F 45028990 AUYICPPHLXMBIR-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1nc(C2CC2)sc1C(=O)Nc1ccccc1 28335057 AIONCILKOOMIFB-UHFFFAOYSA-N 258.346 3.581 0 40 CHAB CC[C@@H](C)C(=O)NCc1ccc(-c2ccc(F)cc2)o1 29676295 JYUYLCDCFSZXAN-LLVKDONJSA-N 275.323 3.748 0 40 CHAB Cc1csc(NC(=O)c2cc(C)nc3ccccc23)n1 2623600 NIQXBEYZVQMQNK-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SC(C)C 12849543 WSHRPYOSUWQEGG-UHFFFAOYSA-N 276.361 3.748 0 40 CHAB CCCCNc1nnc(S[C@@H]2CCCCCC2=O)s1 12883029 FZRDDEWFWXMJOD-LLVKDONJSA-N 299.465 3.744 0 40 CHAB CCC[C@@H](C(=O)Nc1nccs1)c1ccccc1 3549590 KRNHCKIPCBIEBV-GFCCVEGCSA-N 260.362 3.666 0 40 CHAB c1cncc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)c1 96002762 HZVKUQCZDOIZJB-QGZVFWFLSA-N 296.418 3.560 0 40 CHAB CCC(C)(C)NCc1cc(Cl)c(OC)c(OC)c1 13724892 WAXNATWDNUXQAN-UHFFFAOYSA-N 271.788 3.635 0 40 CHAB CSCC(=O)Nc1ccc2oc3ccccc3c2c1 13985590 NXIYCKRUUMRSFI-UHFFFAOYSA-N 271.341 3.888 0 40 CHAB CCn1c(SC[C@H]2CCCCO2)nc2ccccc21 6553094 IBXNUVXHGNEPBS-GFCCVEGCSA-N 276.405 3.717 0 40 CHAB CN(C(=O)c1cccc(Br)c1)c1ccccc1 5509962 LSTQUOGSOMICAE-UHFFFAOYSA-N 290.160 3.726 0 40 CHAB Cc1cc(C)c(C)c(C(=O)c2ccccc2C(=O)O)c1C 4719027 QMBCGBMXTLBULJ-UHFFFAOYSA-N 282.339 3.849 0 40 CHAB CCc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 72331441 OOQVCEMNWPCARP-UHFFFAOYSA-N 273.763 3.832 0 40 CHAB C[C@H](c1ccc(-c2cnn3cccnc23)cc1)N1CCCC1 67676929 MPXSHSOIZGWURD-CQSZACIVSA-N 292.386 3.553 0 40 CHAB O=C(NCCC1=CCCCC1)c1c(F)cccc1F 16384097 GLJBRHPCIURRFO-UHFFFAOYSA-N 265.303 3.585 0 40 CHAB Cc1c(C(=O)NCc2cccs2)oc2ccc(F)cc12 8328443 BGVTZVCBKXOLHX-UHFFFAOYSA-N 289.331 3.872 0 40 CHAB C[C@H](NC(=O)C1CCCCC1)c1ccc(-n2ccnc2)cc1 18048115 VZHXCKFCTUSSNF-AWEZNQCLSA-N 297.402 3.630 0 40 CHAB Cc1ccccc1[C@H]1CCN(C(=O)C2CCCC2)C1 69846338 NXOHNFOZIPDHGG-HNNXBMFYSA-N 257.377 3.501 0 40 CHAB CC(C)Sc1nc(COc2ccc(Cl)cc2)n[nH]1 8883684 HYJUWOCEOIZWEZ-UHFFFAOYSA-N 283.784 3.538 0 40 CHAB C[C@H]1CCCN(Cc2cc(N3CCC[C@H](C)C3)ccn2)C1 95446880 ZTKMJXOZSKARBH-HOTGVXAUSA-N 287.451 3.550 0 40 CHAB O=C(N[C@@H](c1nc(C2CC2)cs1)C1CC1)c1ccccc1 95962225 BGTVVTOVJZEHEF-OAHLLOKOSA-N 298.411 3.902 0 40 CHAB CN(Cn1ncsc1=S)[C@@H]1CCCc2ccccc21 95947970 DPCGBFDVEXTGOF-CYBMUJFWSA-N 291.445 3.641 0 40 CHAB Cc1ccc([C@@H](C)N[C@@H](CO)c2ccc(Cl)cc2)o1 89210633 WJHLALOATKLEGC-RISCZKNCSA-N 279.767 3.626 0 40 CHAB CSc1ncccc1C(=O)Nc1cccc2ncccc12 7717483 CVMVMMSMLIRCOZ-UHFFFAOYSA-N 295.367 3.604 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)N(C)Cc1ccccc1 31850866 OUUUABYWIGXGOY-CQSZACIVSA-N 285.412 3.826 0 40 CHAB Fc1cccc(Oc2cncc(Br)c2)c1 123981242 MTAKYUSKOUTSHY-UHFFFAOYSA-N 268.085 3.776 0 40 CHAB Cc1ccc2nc(-c3ccc(NC(=N)N)cc3)sc2c1 34936089 WVTBXWSYCLOUMG-UHFFFAOYSA-N 282.372 3.577 0 40 CHAB COc1cccc2c(Nc3cccc(C(=O)O)c3)ccnc12 78401501 YKBKFTBGFKZTHB-UHFFFAOYSA-N 294.310 3.685 0 40 CHAB CCN(C(=O)c1ccc(OC)cc1)c1cccc(C)c1 33946101 DFPGANUPVBKLNA-UHFFFAOYSA-N 269.344 3.670 0 40 CHAB CCOC(=O)/C=C/c1ccc(OC(C)C)c(Cl)c1 72209098 ZEFJLBASAKNRDJ-SOFGYWHQSA-N 268.740 3.704 0 40 CHAB O[C@@H](c1ccccc1)c1ccc(Nc2ccccc2)nc1 72225304 GLWHRTCXSXOBCT-SFHVURJKSA-N 276.339 3.907 0 40 CHAB Cc1ccnc([C@@H]2CCCN2C(=O)OCc2ccccc2)c1 72211181 LBUGNWIBZRUXFQ-KRWDZBQOSA-N 296.370 3.864 0 40 CHAB COC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@H]1C 226277434 ABJFMSAHSCRVRL-CQSZACIVSA-N 298.386 3.643 0 40 CHAB CC[C@@H](C(=O)O)N(CC)c1cccc2ccccc12 224986250 IHQZJQQRDLLELY-AWEZNQCLSA-N 257.333 3.529 0 40 CHAB CCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344383 KSVCJTXCSVZUBE-VXGBXAGGSA-N 272.175 3.623 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223147546 LUIBHLWVMZFEJG-ZDUSSCGKSA-N 295.382 3.675 0 40 CHAB CC[C@H](C)OCc1cc(F)ccc1Br 230651894 XKZBHGNKGSSJFY-QMMMGPOBSA-N 261.134 3.903 0 40 CHAB Fc1ccc(NN2CCCCC2)c(C(F)(F)F)c1 95081577 PBIRKTKUMMWWKK-UHFFFAOYSA-N 262.250 3.657 0 40 CHAB Fc1ccc(Br)c2c(Cl)ccnc12 36753188 VKLBEBOKQVNTLX-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB CC(C)[C@H](C)NC(=O)Nc1ccccc1C(F)(F)F 40096021 CXCBQAWLCGGTBS-VIFPVBQESA-N 274.286 3.871 0 40 CHAB CCOC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 12158388 RWQGVZNDETVUJI-CQSZACIVSA-N 289.375 3.959 0 40 CHAB CSc1nc2c(c(=O)[nH]1)[C@H]1C=C(C)CC[C@H]1C(C)(C)C2 17060355 HFVQGXYSGIZIDB-WDEREUQCSA-N 290.432 3.514 0 40 CHAB CCc1ccc(CNc2cccc(-c3nnco3)c2)cc1 20187137 XYNHOSYXXQVOPZ-UHFFFAOYSA-N 279.343 3.911 0 40 CHAB COc1ccc(NCc2ccc(C(C)(C)C)cc2)cn1 22153965 SDTWMMFLYZOQSP-UHFFFAOYSA-N 270.376 4.000 0 40 CHAB Cc1cc(C)n(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)n1 34692 UIFNZABODPAWGD-KOLCDFICSA-N 287.190 3.731 0 40 CHAB COc1ccc(NC(=O)Nc2cn(C)c3ccccc23)cc1 5265801 GKPAIKOHNOLFEW-UHFFFAOYSA-N 295.342 3.831 0 40 CHAB Cc1noc(C)c1CSc1ncccc1Cl 40018050 WCXRCRYFZXWNJD-UHFFFAOYSA-N 254.742 3.632 0 40 CHAB COc1ccc([C@@H]2C=C(C)Nc3nc4ccccc4n32)cc1 100673214 AALMRCUSSDYMBE-KRWDZBQOSA-N 291.354 3.964 0 40 CHAB CCOc1cc2c(cc1OCC)[C@@H]([C@H](C)CC)NCC2 141636 IOEDBYAFSCGWPC-SJKOYZFVSA-N 277.408 3.717 0 40 CHAB COc1ccc([C@@H]2CCCN2C(=O)C2CCCCC2)cc1 32819498 JDEHQSOHUPVRFQ-KRWDZBQOSA-N 287.403 3.939 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2O)C1(C)C 32895961 SZLXBXCNHZAWNQ-FZMZJTMJSA-N 259.349 3.569 0 40 CHAB Cc1c([C@@H](C)NC(=O)c2ccncc2F)oc2ccccc12 78086347 NCCLXCIPYLSRSA-LLVKDONJSA-N 298.317 3.766 0 40 CHAB CCC[C@@H]1[C@H](C)CCCN1c1nccc(C(F)(F)F)n1 79017587 RPOAMHDOVJOVHP-GHMZBOCLSA-N 287.329 3.900 0 40 CHAB COc1ccc(C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 100483985 VALUCCBPSGDYQC-KBXCAEBGSA-N 287.403 3.736 0 40 CHAB biogenic CCOc1c(Cl)cc(Cl)cc1CNC1CC1 8253409 CAEHYBPHGGRABE-UHFFFAOYSA-N 260.164 3.644 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)NCc1ccoc1 47707169 HZKVDBHJCQSNJN-UHFFFAOYSA-N 294.738 3.572 0 40 CHAB Cc1cccc(N2C(=O)S[C@H](Nc3ccccc3)C2=O)c1 1227756 GSSPFXLVLYUCFN-AWEZNQCLSA-N 298.367 3.633 0 40 CHAB Oc1ccccc1-c1nc2scc(-c3ccccc3)n2n1 26687905 LLWVAORLZNLIRV-UHFFFAOYSA-N 293.351 3.830 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2ccc(N)cc2C(F)(F)F)C1 15417895 XXYMIDZJXONUQK-AOOOYVTPSA-N 272.314 3.770 0 40 CHAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc1C 103149162 YLMYQOXLBCWUBR-SAXRGWBVSA-N 277.433 3.919 0 40 CHAB Cc1cccc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c1 45948890 YLPJYTXVQRDULX-ZBFHGGJFSA-N 290.407 3.712 0 40 CHAB O=C(c1ccc(Br)c(F)c1)C1CCCC1 2514371 WZTWBENFWHDUQL-UHFFFAOYSA-N 271.129 3.961 0 40 CHAB FC(F)(F)c1cnc(NCC[C@H]2CCCO2)c(Cl)c1 37981731 RCSFSMMPXHDNOO-SECBINFHSA-N 294.704 3.735 0 40 CHAB O=C(NCC1CC1)N[C@H](Cc1ccccc1)c1ccccc1 29727326 FBOWDERJXGGOOV-GOSISDBHSA-N 294.398 3.680 0 40 CHAB O=C(O)c1cccc(OCc2nc3ccccc3s2)c1 12851715 FFNQKERQWFLSMZ-UHFFFAOYSA-N 285.324 3.574 0 40 CHAB Cc1nc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2o1 12883844 VAOWJIBWVNLOBA-UHFFFAOYSA-N 291.310 3.870 0 40 CHAB Cc1ccc(-c2n[nH]cc2CNCCC2=CCCCC2)o1 37216849 DICDFZZOTXIRJK-UHFFFAOYSA-N 285.391 3.958 0 40 CHAB O=C(Cc1ccsc1)N[C@H](c1ccccc1)C1CC1 12925549 MSAKFEDBICPSGO-MRXNPFEDSA-N 271.385 3.558 0 40 CHAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(F)c1 71282540 FNAXAOLDQLBGNP-GFCCVEGCSA-N 273.311 3.727 0 40 CHAB CCc1oc(C(=O)N2Cc3ccccc3OC[C@H]2C)cc1C 97082901 NZAGODKFDXEJBV-CYBMUJFWSA-N 299.370 3.574 0 40 CHAB CC[C@@H](C)N1CCN(Cc2cccc3ccccc23)CC1 19889523 KFQCJYMXNGJCIP-MRXNPFEDSA-N 282.431 3.756 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 68755597 BFSQAYZLLKQFKF-STQMWFEESA-N 285.387 3.867 0 40 CHAB CC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1C 9640329 FWGDUUDKMZWXAD-UHFFFAOYSA-N 294.763 3.560 0 40 CHAB CN(CCN(C)C1CCCCC1)C1CCCCC1 66189055 WRPQIQFDQDMHMU-UHFFFAOYSA-N 252.446 3.515 0 40 CHAB Cc1cc(-c2noc(CCc3ccc(O)cc3)n2)ccc1F 95940708 COTQPASXKPXNIX-UHFFFAOYSA-N 298.317 3.675 0 40 CHAB O=C(c1nc2ccccc2[nH]1)[C@H]1C[C@H]1c1ccc(F)cc1 9913638 XLMQVSNYCUHXNE-STQMWFEESA-N 280.302 3.688 0 40 CHAB Cc1occc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 89869855 VMIQFYHWRDZZTI-UHFFFAOYSA-N 295.342 3.604 0 40 CHAB CCOc1ccc(NC(=O)C2(C)CCCC2)cc1C 64823832 MZOHVVUWVZMEQS-UHFFFAOYSA-N 261.365 3.913 0 40 CHAB CCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20136598 NILSPFKUMOLBJT-UHFFFAOYSA-N 287.359 3.876 0 40 CHAB Cc1c(C(=O)O)sc2ccc(Br)cc12 37381668 ZVWGMFUNKWVSTR-UHFFFAOYSA-N 271.135 3.670 0 40 CHAB CCCN1CCCC[C@@H]1c1cnc(S)cc1C 72218338 SNRKKRXCMHQFNR-CYBMUJFWSA-N 250.411 3.616 0 40 CHAB CC(C)(C)C(=O)NCCSc1ccc(Cl)cc1 39978523 HFZUUIMBUOCDTR-UHFFFAOYSA-N 271.813 3.594 0 40 CHAB Cc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1 61838004 KOAUUPAZLZCUGK-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(N)n2)cc1 71977677 ULYKBYYIWIPMBG-UHFFFAOYSA-N 279.318 3.840 0 40 CHAB Cc1cc(CNC(=O)Cc2c(F)cccc2Cl)c(C)o1 74614134 HWSQCZVXDNUEQP-UHFFFAOYSA-N 295.741 3.548 0 40 CHAB O=C(O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 32918450 HPCGNJVNRTUFNC-UHFFFAOYSA-N 292.294 3.634 0 40 CHAB C/C=C/C=C/C(=O)NCc1ccc(-c2ccc(F)cc2)o1 40052583 SBEDHMCWYFQCIC-MQQKCMAXSA-N 285.318 3.834 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 44839148 AGUFJSLTNXBERX-GOEBONIOSA-N 277.408 3.766 0 40 CHAB CSc1c(Cl)cccc1NCc1nnc(C2CC2)o1 86211038 NIOBDUAJIWAVJE-UHFFFAOYSA-N 295.795 3.934 0 40 CHAB C[C@H]1CC(C)(C)N([C@@H](C)C(=O)O)c2cc(Cl)ccc21 223829513 AAVNLVMKVSUKBQ-UWVGGRQHSA-N 281.783 3.905 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccccc3N)o2)C1 226301199 VTLHLURBDRQTAF-BETUJISGSA-N 298.386 3.647 0 40 CHAB Cc1ccc(CN(C)C(=O)Cc2ccc(C)cc2C)cc1 223869874 UTOIHQVYLFGZMB-UHFFFAOYSA-N 281.399 3.813 0 40 CHAB CC/C=C\COCc1cccc(Br)c1 95725445 NCQRQTXVUAVMBN-ARJAWSKDSA-N 255.155 3.932 0 40 CHAB CN(Cc1cc2ccccc2o1)C(=O)[C@H]1C[C@@H]1c1ccco1 96445181 SLIIAIRXEVYBDX-GJZGRUSLSA-N 295.338 3.788 0 40 CHAB COC(=O)c1sc(Cl)cc1OCc1ccccc1 96510902 AMAAFPZICPRULI-UHFFFAOYSA-N 282.748 3.767 0 40 CHAB CCOC(=O)/C=C/c1ccc(C(F)(F)F)c(Cl)c1 90156004 GFQMLDQVLRDWJJ-GQCTYLIASA-N 278.657 3.935 0 40 CHAB C[C@]12CC[C@@H]3[C@H]4CCC(=O)CC4=CC[C@H]3[C@@H]1CCC2=O 245224421 WELNRNVZXWUOGT-QXUSFIETSA-N 272.388 3.697 0 40 CHAB in-man O=C(O)c1ncoc1-c1ccc(-c2ccccc2)cc1 76370921 TUNQAXDDALUWNZ-UHFFFAOYSA-N 265.268 3.707 0 40 CHAB FC1(F)Oc2cccc(C(Cl)(Cl)Cl)c2O1 91252132 IAJUWINIHHPLGZ-UHFFFAOYSA-N 275.465 3.835 0 40 CHAB Cc1c(-c2ccccc2)c2ccc(O)c(C)c2n(C)c1=O 1775967689 NZCBUWCHSWPVEY-UHFFFAOYSA-N 279.339 3.528 0 40 CHAB Nc1n[nH]c2nc(-c3ccccc3)cc(-c3ccccc3)c12 5323608 NGNHXYCLUMQSKR-UHFFFAOYSA-N 286.338 3.874 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 13710165 WFYOLIFNZHSUOC-INIZCTEOSA-N 297.398 3.729 0 40 CHAB CC(C)(C)C(=O)Nc1ccccc1-c1ccc(C(=O)O)o1 226351906 BQRMPTWXVORASO-UHFFFAOYSA-N 287.315 3.629 0 40 CHAB C[C@]1(O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@H]21)[C@H](CO)C3 248021535 LZAZGDZVFQSCFO-LXGSHKTASA-N 292.463 3.753 0 40 CHAB biogenic,in-vitro Oc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1 1857793126 QTCQHDNGTMCBBE-UHFFFAOYSA-N 283.718 3.565 0 40 CHAB CC(C)OCCCNC(=O)Nc1ccccc1C(C)(C)C 40526131 DNRGFIZPMFFINP-UHFFFAOYSA-N 292.423 3.921 0 40 CHAB COc1ccc2cc(CNCc3cccc(O)c3)ccc2c1 32891494 JNZPLUZUVMQXPU-UHFFFAOYSA-N 293.366 3.844 0 40 CHAB Cc1cccc(OS(=O)(=O)c2c(C)cc(C)cc2C)c1 33047973 QGGHSNHXWMAHDV-UHFFFAOYSA-N 290.384 3.688 0 40 CHAB C[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 538526 TXMVTHIUMYZPPG-LLVKDONJSA-N 267.332 3.612 0 40 CHAB Cc1ccc(Cl)c(OC(=O)c2cccs2)c1 299449 ITBCHOMIAABWQG-UHFFFAOYSA-N 252.722 3.929 0 40 CHAB C[C@H]1CCc2nc(NC(=O)c3ccccc3F)sc2C1 1508300 JMVBUNSXMLCVTL-VIFPVBQESA-N 290.363 3.659 0 40 CHAB COc1cc2c(cc1[C@@H](C)c1ccccc1)OCO2 1581533 KWFLPGKFDUABEW-NSHDSACASA-N 256.301 3.576 0 40 CHAB CC(C)c1ccc([C@H](Cc2ccccc2)NCCO)cc1 1666317 IITFQIXOUXZPGR-IBGZPJMESA-N 283.415 3.676 0 40 CHAB Cc1cc(C)c(OCCNCc2ccco2)c(Cl)c1 3388237 MEGPTYKAWCUTKZ-UHFFFAOYSA-N 279.767 3.718 0 40 CHAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O 3881951 JRIZOGLBRPZBLQ-JLOCXQCDSA-N 272.388 3.697 0 40 CHAB biogenic CCCc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1 5154807 VNMVFKUUYKSLTM-UHFFFAOYSA-N 294.807 3.668 0 40 CHAB COc1ccccc1NC(=O)COc1cc(C)cc(C)c1C 5474540 FZMWLBMTJOCJCU-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB CCOc1ccccc1NC(=O)c1ccc(C)s1 6303999 LOHACUZFSDBXSF-UHFFFAOYSA-N 261.346 3.708 0 40 CHAB CCc1ccc(NC(=O)c2ccc(F)cc2C)cc1 6604400 IIVOPEYDVOCTKQ-UHFFFAOYSA-N 257.308 3.949 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2ccc(OC(F)F)cc2)o1 6935109 LJNSBMLCNWJPQQ-CMDGGOBGSA-N 293.269 3.841 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)n1 7195986 YEXDGRXUOIDYAT-DLOVCJGASA-N 298.477 3.627 0 40 CHAB O=C(Cc1ccccc1F)Nc1cccc2cnccc12 7655329 OIGNZAAAJAINDD-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1C 8049232 KMRULGHJTCPAIN-CQSZACIVSA-N 275.392 3.520 0 40 CHAB Cc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1C 11801697 YRLCQPURVHLACD-UHFFFAOYSA-N 292.338 3.854 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1cccnc1 13744803 OHNCFUMLNAPMFW-SECBINFHSA-N 293.729 3.757 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)NCCc1ccccc1 13994449 MWQOIHRVRXENMA-QGZVFWFLSA-N 297.398 3.511 0 40 CHAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cccc(C)c2)c1 14085687 WCGOKXAIRSVTGU-CQSZACIVSA-N 297.354 3.604 0 40 CHAB CC(C)(C)SCCNC(=O)Nc1cccc(Cl)c1 14155738 MFXSOWQXXPDHHW-UHFFFAOYSA-N 286.828 3.993 0 40 CHAB C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 17323625 UCTUCVISRDTLRK-JTQLQIEISA-N 277.726 3.970 0 40 CHAB Cc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 19926786 GWUACBHZFJUMQB-MRXNPFEDSA-N 287.359 3.913 0 40 CHAB OCc1ccc(OCc2cccc(Br)c2)cc1 20031153 OPWIAZQCDOREKS-UHFFFAOYSA-N 293.160 3.520 0 40 CHAB Cc1cccc(NC(=O)[C@@H](C)SCc2cc(C)on2)c1 27191208 GMRZGLXQYMBTLE-GFCCVEGCSA-N 290.388 3.552 0 40 CHAB Cc1ccc2nc(N[C@H]3OC(=O)c4ccccc43)sc2c1 27662418 ZNQYTGWOBMDXMY-AWEZNQCLSA-N 296.351 3.886 0 40 CHAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)NCCC[C@H]12 33702325 GWLZIXUQGCRFNW-UDFCFZJOSA-N 289.463 3.652 0 40 CHAB CCCCN1C(=O)S/C(=C/c2ccccc2OC)C1=O 35042133 FLBQJEUWEUCLLH-JLHYYAGUSA-N 291.372 3.532 0 40 CHAB O=C(O)Cc1c(C(F)(F)F)ccc(Cl)c1Cl 38529664 LYKFEAIUZGMHGX-UHFFFAOYSA-N 273.037 3.639 0 40 CHAB Cc1ccc2c(c1)CCCN2Cc1cnc(C)s1 40158331 MOXYGNITHFVFFM-UHFFFAOYSA-N 258.390 3.713 0 40 CHAB C[C@]12C=C[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 55160986 RZFGPAMUAXASRE-CUZKMJQKSA-N 290.447 3.527 0 40 CHAB COc1ccc(CC(=O)c2cc(F)ccc2C)cc1 55199840 TYGXLXHWTGUDON-UHFFFAOYSA-N 258.292 3.568 0 40 CHAB Cc1nc(C)c(-c2cccc(Br)c2)o1 57538869 RCYGGGCMWUGSAE-UHFFFAOYSA-N 252.111 3.721 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2sccc2C)cc1C 58106085 QYCKIVCGXVSFMA-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB O=C(CN(Cc1ccco1)C1CC1)c1c[nH]c2ccccc12 58141088 CTLGDHFUICNHIQ-UHFFFAOYSA-N 294.354 3.608 0 40 CHAB Cc1cccc(NC(=O)N(Cc2ccncc2)C2CC2)c1C 58344165 IZGVHRZXVASCBJ-UHFFFAOYSA-N 295.386 3.895 0 40 CHAB O[C@H](CCC1OCCCO1)c1ccc(Cl)cc1Cl 59654124 WNIBCTBMWCXZCT-GFCCVEGCSA-N 291.174 3.570 0 40 CHAB CCOc1ccc(I)c2ccccc12 71256833 IPUTULXHXZBGRW-UHFFFAOYSA-N 298.123 3.843 0 40 CHAB O=C1Oc2nc3ccccc3cc2CN1Cc1cccs1 72373708 KKVRUBYGZAHKRL-UHFFFAOYSA-N 296.351 3.811 0 40 CHAB CCNC(=O)c1cccc(C)c1OCCCc1ccccc1 75105143 OAPJEKUWTKRZFU-UHFFFAOYSA-N 297.398 3.756 0 40 CHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1 96586370 XBBFOCKSQOLDGE-CQSZACIVSA-N 295.382 3.971 0 40 CHAB Nc1nnc(-c2cccc(-c3nc4ccccc4s3)c2)o1 216837970 XSJDXJDJWMLPND-UHFFFAOYSA-N 294.339 3.596 0 40 CHAB CCCCc1ccc(NC(=O)c2cnc(C3CC3)nc2)cc1 222599205 NQOGLJMLDNCLDI-UHFFFAOYSA-N 295.386 3.949 0 40 CHAB C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@H]12)CC[C@@H](O)C3 248333142 JWCUOJUQSHVMBS-UOJCXKCYSA-N 278.392 3.519 0 40 CHAB COC(=O)[C@@H](C)N1c2c(C)cccc2[C@H](C)CC1(C)C 260616120 FKQNIGZYANUMSA-CHWSQXEVSA-N 275.392 3.649 0 40 CHAB Cc1cc(Cl)ccc1Nc1ccc(N)cc1C(=O)O 388611840 GZXFBRVFPZIRAD-UHFFFAOYSA-N 276.723 3.672 0 40 CHAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C 149120 JAXJZDHNXZHIPB-UHFFFAOYSA-N 266.753 3.666 0 40 CHAB CCOc1ccc(-c2cc(O)cc3sc(=O)oc23)cc1 539308 DQSBGCDOCUSPSF-UHFFFAOYSA-N 288.324 3.626 0 40 CHAB CC(=O)NC1=C(C2=Cc3ccccc3C2)c2ccccc2C1 1387103 JQTMPZDVGQFQDL-UHFFFAOYSA-N 287.362 3.730 0 40 CHAB Cc1ccc2ncc(C(=O)c3ccc(Cl)cc3)n2c1 1400921 KMLGGJIVVUSLRY-UHFFFAOYSA-N 270.719 3.527 0 40 CHAB N=C(N1CCCc2ccccc21)N1CCCc2ccccc21 1683826 YTBDBLBPMFQPCP-UHFFFAOYSA-N 291.398 3.827 0 40 CHAB CCc1ccccc1NC(=O)/C=C/c1ccc(C)o1 2708240 KAQKNDLPAWYHNO-ZHACJKMWSA-N 255.317 3.802 0 40 CHAB COc1ccc2c(Cl)c(-c3nnco3)sc2c1 3293172 WYAVZTIQQQQKGL-UHFFFAOYSA-N 266.709 3.613 0 40 CHAB CCc1sc(C(=O)NCc2ccccc2)cc1C 3426562 LOWMUVRHCWXGNS-UHFFFAOYSA-N 259.374 3.549 0 40 CHAB Cc1cccc(NC(=O)[C@]23CC[C@H](C2)C(C)(C)C3=O)c1C 4185807 XEPJQAGHALCPFL-FZKQIMNGSA-N 285.387 3.637 0 40 CHAB Cc1cccc(CSc2nnc(-c3ccncc3)o2)c1 4941542 WJPVUGHCTYCNKT-UHFFFAOYSA-N 283.356 3.732 0 40 CHAB c1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)nc1 7845358 KTPKABWXJLXMKI-UHFFFAOYSA-N 282.324 3.601 0 40 CHAB O=C1Cc2cc(-c3csc(-c4ccccc4)n3)ccc2N1 8208327 CPYSPGIHDRERGD-UHFFFAOYSA-N 292.363 3.972 0 40 CHAB Cc1nnc(SCc2coc(-c3ccccc3)n2)s1 9378004 URBZQQZZBOTYQH-UHFFFAOYSA-N 289.385 3.794 0 40 CHAB O=C(CSCc1ccccc1)NCCCc1ccccc1 10110160 LMUNXNOXAIRHRG-UHFFFAOYSA-N 299.439 3.669 0 40 CHAB Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 11178460 RQMFAAZDNOBXRK-UHFFFAOYSA-N 279.383 3.847 0 40 CHAB Cc1ccc(CSCCC(=O)Nc2cc(C)on2)cc1 12811277 MSJKYFZTNDZKRO-UHFFFAOYSA-N 290.388 3.553 0 40 CHAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)oc2C)cc1 12898533 XXKRMNMIZBNMHP-QGZVFWFLSA-N 299.370 3.882 0 40 CHAB C[C@H](NC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1 15694856 SHXPAAAWGCUHKY-JTQLQIEISA-N 294.276 3.591 0 40 CHAB OCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 16401643 ZIDBLXNLHJAGTI-UHFFFAOYSA-N 259.692 3.641 0 40 CHAB O=c1oc(-c2cccc(Cl)c2)nc(O)c1-c1ccccc1 16491970 BMWDMINTPNXHFC-UHFFFAOYSA-N 299.713 3.728 0 40 CHAB CSC(=N)c1cccc(OCCOc2ccccc2)c1 17039897 AXODZZWFGQXYOW-UHFFFAOYSA-N 287.384 3.833 0 40 CHAB c1cnc2c([C@H]3NCCc4c3[nH]c3ccccc43)cccc2c1 20111399 MFLKAHOBCOBBJX-LJQANCHMSA-N 299.377 3.951 0 40 CHAB biogenic Cc1c(NC(=O)c2cccc(Cl)c2)cccc1C(=O)O 20138045 ITGDDYOLDYUKQC-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB O=c1cc(CSCc2ccco2)[nH]c2ccc(F)cc12 21099129 NUZRWCFKIVNPEZ-UHFFFAOYSA-N 289.331 3.694 0 40 CHAB Fc1ccc(-c2nc(Cl)nn2-c2ccc(F)cc2)cc1 22125817 BSJGZKQQCSSGJI-UHFFFAOYSA-N 291.688 3.866 0 40 CHAB O=C(O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1 26507728 FAWHEGYCBVKJDY-UHFFFAOYSA-N 282.274 3.816 0 40 CHAB Fc1cccc(CNCc2ccc(Br)cc2)c1 34938906 FTCFYCSGHIGDAX-UHFFFAOYSA-N 294.167 3.878 0 40 CHAB CC(C)Oc1ccc(NC(=O)c2ccncc2)cc1Cl 40074104 MVHJDRJCEXZBIY-UHFFFAOYSA-N 290.750 3.775 0 40 CHAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@H]1CC=CCC1 44909038 HWXMJIPGSFRNAD-KGLIPLIRSA-N 273.376 3.571 0 40 CHAB OCc1ccccc1-c1nc2ccc(F)cc2s1 45923226 MZEJWJIVROTVET-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB O=C(c1ccc(F)cc1)N1CCC(Nc2ccccc2)CC1 48292004 LKGLSPQUSITJGV-UHFFFAOYSA-N 298.361 3.542 0 40 CHAB COc1cccc([C@@H](O)c2cccc3ccccc23)c1 54438613 PWBQCBZBWIGGLO-GOSISDBHSA-N 264.324 3.930 0 40 CHAB CC[S@](=O)c1ccccc1C(=O)OCC1CCCCC1 57634963 BGYRJLOBKLATOP-HXUWFJFHSA-N 294.416 3.551 0 40 CHAB COc1cc(C(=O)Nc2cccc3[nH]ccc23)ccc1C 58171075 YXFFDVNSYFKHAL-UHFFFAOYSA-N 280.327 3.737 0 40 CHAB FC(F)(F)[C@H]1CCCN(c2nc3ccccc3o2)C1 60488849 AFUBKOOGYAIJOJ-VIFPVBQESA-N 270.254 3.607 0 40 CHAB COC(=O)c1ccccc1/N=N/c1ccc(O)cc1 63933243 VJNIKNARNNVBKN-FOCLMDBBSA-N 256.261 3.594 0 40 CHAB CC(C)c1nc(CN(C)c2ccc3ccccc3c2)no1 64931448 RRIWFCIWRRHEKB-UHFFFAOYSA-N 281.359 3.983 0 40 CHAB C[C@H](c1cccs1)N(C)Cc1noc(-c2ccoc2)n1 69377041 FWPFQPSGPDOSOW-SNVBAGLBSA-N 289.360 3.584 0 40 CHAB CC[C@@H](C)NC(=O)N(Cc1ccco1)C1CCCC1 69420426 DMOSEUFAXYAIGW-GFCCVEGCSA-N 264.369 3.532 0 40 CHAB CC(C)CN1CCCC[C@@H]1c1ccc(NC2CC2)nc1 72213800 WQVMPVZAJJTJEW-MRXNPFEDSA-N 273.424 3.839 0 40 CHAB CC(C)N1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213957 HDYUWITYBLBAHW-MRXNPFEDSA-N 273.424 3.981 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccoc1 72221595 MEVAZWJYSOCVIM-HNNXBMFYSA-N 271.316 3.753 0 40 CHAB CCS[C@H]1CCC[C@H]1NC(=O)c1cc(C)sc1C 79000870 LKSBRFJGGKGOAY-OLZOCXBDSA-N 283.462 3.769 0 40 CHAB CCCCC(=O)N[C@H]1C[C@H]1c1ccccc1Cl 84742876 XFBDOGVTXQEQIJ-AAEUAGOBSA-N 251.757 3.502 0 40 CHAB Nc1cccc(-c2csc(N3CCCCCC3)n2)c1 91960224 IUGIZUUZGYEJAM-UHFFFAOYSA-N 273.405 3.773 0 40 CHAB COc1cc(Cl)cc2c(Cl)c(N)c(Cl)nc12 95098215 BFNRWAMPOKQCSC-UHFFFAOYSA-N 277.538 3.786 0 40 CHAB Cc1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1Cl 95634095 GXSXKYDUDCQNCK-VXGBXAGGSA-N 280.751 3.722 0 40 CHAB O=c1c(O)c(-c2ccc(F)cc2)oc2ccc(Cl)cc12 96191578 SKCUTTZTNGVIPH-UHFFFAOYSA-N 290.677 3.958 0 40 CHAB COc1cc(C)ccc1OC(=O)/C=C1\CC[C@@H](C)C1 98056420 JNOBTMXQURXVIM-BVRAVYJCSA-N 260.333 3.655 0 40 CHAB Cc1cc(C)c(C2=NO[C@H]3[C@H]2[C@@H]2CC[C@@H]3C2)c(C)c1 100469736 WKLZNTYMDOPBSE-LNCBFAARSA-N 255.361 3.761 0 40 CHAB Cc1ccc(C(=O)CCC2C(=O)CC(C)(C)CC2=O)cc1 102982309 AUKOOOYPMOEFSP-UHFFFAOYSA-N 286.371 3.532 0 40 CHAB CCCOC(=O)OCCCC(F)(F)C(F)(F)F 169795742 YZVKBDNIZKGKMC-UHFFFAOYSA-N 264.190 3.527 0 40 CHAB CC(=O)c1sccc1OCc1nc2ccccc2nc1C 193535190 RISPVSSTHLNTIT-UHFFFAOYSA-N 298.367 3.781 0 40 CHAB C[C@H](O)c1cccc(NC(=O)C2CCC(F)(F)CC2)c1 216480236 IUYYXEPBJQVLLJ-JTQLQIEISA-N 283.318 3.504 0 40 CHAB C[C@H](Oc1ccccc1Cl)C(=O)NCC1=CCCCC1 224290167 OWYUKWIAEJKUJQ-LBPRGKRZSA-N 293.794 3.724 0 40 CHAB O=C(O)[C@@H](Cc1ccc(F)cc1)Oc1cccc(Cl)c1 225053576 NAVWSUHWUAEFGJ-CQSZACIVSA-N 294.709 3.554 0 40 CHAB CC[C@@H](C)Oc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 225170623 BHVLXDWIQYEEEP-KEYYUXOJSA-N 277.408 3.694 0 40 CHAB CCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225264612 FNPYVDFWBHUCRP-UHFFFAOYSA-N 299.761 3.633 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225383509 GVJRUANKZIXHBB-LBPRGKRZSA-N 280.437 3.949 0 40 CHAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1cccs1 226763677 RIEJIGOLILZTRQ-SNAWJCMRSA-N 292.791 3.944 0 40 CHAB COc1cc(C(=O)C(Cl)(Cl)Cl)ccc1Cl 382693730 JUOKSMIPMLYIEK-UHFFFAOYSA-N 287.957 3.902 0 40 CHAB Cc1cc(C)cc(Nc2ncnc3c2ncn3C2CC2)c1 571475305 WDMHBNFSBMKZIT-UHFFFAOYSA-N 279.347 3.522 0 40 CHAB CC(C)[C@@H](CSC(F)(F)F)NC(=O)OC(C)(C)C 1504250783 QPXCMKUHCVTTMY-MRVPVSSYSA-N 287.347 3.789 0 40 CHAB Cc1cccc2sc(N(C)CCc3ccncc3)nc12 1655018521 DASZLTXLNVXQNL-UHFFFAOYSA-N 283.400 3.679 0 40 CHAB c1cc(-c2cccc3ncccc23)nc([C@@H]2CCCNC2)c1 2037844058 MQMAXNCVLZGUFS-CQSZACIVSA-N 289.382 3.764 0 40 CHAB CCOC(COc1cc(Cl)cc(Cl)c1)OCC 163069 CAKQZUJFZVRSQG-UHFFFAOYSA-N 279.163 3.771 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2F)c(C)c1 352013 HRTAINSOTHZLLT-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB CC(=O)c1nc2ccccc2n1Cc1ccc(Cl)cc1 387512 AUXKCKVBHWFMEB-UHFFFAOYSA-N 284.746 3.941 0 40 CHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](c3ccccc3)[C@@H]1[C@@H]2C 519335 PLYQNNOXZOYWGG-FZMABENVSA-N 272.388 3.585 0 40 CHAB OCc1ccc(-c2ccc(Br)cc2)cc1 1258994 QOBRUMXJJIZUQO-UHFFFAOYSA-N 263.134 3.608 0 40 CHAB C[C@H]1Cc2cc(C(=O)c3ccc(Cl)cc3)ccc2O1 1455716 FGUXAKXSMBKUPB-JTQLQIEISA-N 272.731 3.894 0 40 CHAB COc1ccc(NC(=O)NCc2ccc(C)c(C)c2)cc1 1739141 IKLMIVLJNVGMQT-UHFFFAOYSA-N 284.359 3.634 0 40 CHAB Cc1cc2nnc(-c3ccccc3O)n2c2ccccc12 2242139 OIRCKFKTZJOEMS-UHFFFAOYSA-N 275.311 3.564 0 40 CHAB O=C(c1ccccc1CN1CCCCC1)C1CCC1 2515536 XFTQFZWVQDEPCN-UHFFFAOYSA-N 257.377 3.655 0 40 CHAB Ic1ccccc1Cc1ccccc1 2562421 XZWHKANKMDNRGN-UHFFFAOYSA-N 294.135 3.882 0 40 CHAB O=C1c2ccccc2CCc2cccc(Br)c21 2599198 CDCRYDCGKUIJOE-UHFFFAOYSA-N 287.156 3.779 0 40 CHAB Cc1ccc2nc(-n3sc4ccccc4c3=O)sc2c1 3207224 CEJBIJRQICGVAV-UHFFFAOYSA-N 298.392 3.970 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)c1nc2ccccc2s1 3404562 LLMFXYXQNKNCCY-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB CCCCCC1=NO[C@H](c2ccc(C(=O)O)cc2)C1 4687203 OGUFPKADGZKILR-AWEZNQCLSA-N 261.321 3.783 0 40 CHAB O=C(O)CCCc1ccc2c(c1)oc1ccccc12 4726313 DGNIOFJTLFYLLF-UHFFFAOYSA-N 254.285 3.993 0 40 CHAB CCCC(CCC)N(CC)CCOC(=O)N(CC)CC 4743516 ZHVMVBZJHFHZJG-UHFFFAOYSA-N 286.460 3.756 0 40 CHAB Cc1c[n+](C)ccc1/C=C/C1=CC[C@H]2C[C@@H]1C2(C)C 5019032 SNNMWRLBOUDVMZ-CSLAMCDYSA-N 254.397 3.825 0 40 CHAB C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CNC(=O)C[C@]3(C)[C@@H]1CC2 5276522 BPIRFNVICIHJMC-SSDGSGIASA-N 275.436 3.755 0 40 CHAB CSc1cccc2sc(NC(=O)c3ccco3)nc12 5299230 WFKWSRGXUNCLNJ-UHFFFAOYSA-N 290.369 3.864 0 40 CHAB Cc1cc2nc(NC(=O)Nc3ccc(F)cc3)[nH]c2cc1C 6796955 PDDNBPJZDLNVFW-UHFFFAOYSA-N 298.321 3.963 0 40 CHAB Cc1ccc(Nc2cc(N3CCCC3)ncn2)cc1Cl 6824166 ZQCRCLOZMCDVID-UHFFFAOYSA-N 288.782 3.782 0 40 CHAB CCOc1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 8793861 DLQVUPOBRKIMOK-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB O=C(Nc1noc2ccccc12)c1ccccc1Cl 9667576 FWXUWKNNSZDGRG-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)c(C)c1 10446136 KBOQZAFDAMPQAS-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB NC(=O)c1ccc(COc2c(Cl)cccc2Cl)cc1 14093719 HEIJICNXFFMBKA-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB Cc1ccc(NC(=O)NCCc2ccccc2C)cc1 18173736 HAKPYLDWEJQLTE-UHFFFAOYSA-N 268.360 3.668 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccc2c(c1)CCC2 20569818 QFVMWJBXOUEKOD-STQMWFEESA-N 272.392 3.970 0 40 CHAB C[C@H](NC(=O)c1ccnc(Cl)c1)c1ccccc1Cl 25385628 KTOQWQZXWNQBHM-VIFPVBQESA-N 295.169 3.879 0 40 CHAB Cc1cc(C(=O)CCC(=O)NC2CCCCC2)c(C)s1 25396276 VVRDVMPKZQQYBJ-UHFFFAOYSA-N 293.432 3.777 0 40 CHAB CCOc1ncccc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 27581250 JKKHVGLXNFSZHZ-TZMCWYRMSA-N 288.391 3.657 0 40 CHAB Cc1ccc(C)c(CC(=O)Nc2ccc(F)c(F)c2)c1 30754950 IEOKHQZNCPZQJN-UHFFFAOYSA-N 275.298 3.763 0 40 CHAB O=C(O)c1ccc2nc(-c3ccc(F)cc3)sc2c1 31894240 RXYVGBHKOJJGJN-UHFFFAOYSA-N 273.288 3.801 0 40 CHAB c1ccc(SCc2cc(-c3ccco3)on2)nc1 32865357 LVQGXXXPMRGNFG-UHFFFAOYSA-N 258.302 3.622 0 40 CHAB CC1CCN(c2ncnc3ccc(Cl)cc23)CC1 32905144 MNVCZMBZFOTLNZ-UHFFFAOYSA-N 261.756 3.520 0 40 CHAB C[C@H](NC(=O)c1cc(-c2ccccc2)no1)c1ccccc1 32913606 LJTSTGZGMLFODF-ZDUSSCGKSA-N 292.338 3.833 0 40 CHAB Cc1cc(C)cc(OCCCCn2nnc3ccccc32)c1 35143507 VVRRQPQOHHMNKK-UHFFFAOYSA-N 295.386 3.907 0 40 CHAB O=C(O)[C@H](Nc1ccccc1Cl)c1ccccc1F 37955070 MZPVUMFEEMAPRR-CYBMUJFWSA-N 279.698 3.717 0 40 CHAB in-vitro C[C@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCCCC1 40050050 GCGBXHROUOSWRE-UONOGXRCSA-N 272.392 3.662 0 40 CHAB O=C(Nc1cccc2cn[nH]c12)[C@@H]1CCCc2ccccc21 40059002 GTMJNHZCGBHSRE-OAHLLOKOSA-N 291.354 3.622 0 40 CHAB CC(C)n1c(CCCO)nc2cc(C(F)(F)F)ccc21 40417300 ZBHIDJOMYUHJKK-UHFFFAOYSA-N 286.297 3.561 0 40 CHAB Clc1ccc(OCC[C@H]2CCCCN2)c2ncccc12 42771414 GKFCJSJJAXXTAS-GFCCVEGCSA-N 290.794 3.799 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCCC(C)(C)C1 44845797 XBRPTWFCTPMQIT-OAHLLOKOSA-N 289.419 3.801 0 40 CHAB Cc1cc(N)c(N2CCC(C)CC2)c(Br)c1 45886230 GAUYIXUDSNNFHI-UHFFFAOYSA-N 283.213 3.576 0 40 CHAB C[C@H]1c2cccn2CCN1C(=O)CCC1CCCCC1 48324736 CXEHKKMBGFLANR-AWEZNQCLSA-N 274.408 3.752 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1C1CCCC1 56033653 SNQUZIGIXUBIRM-SFHVURJKSA-N 296.414 3.892 0 40 CHAB C[C@H](c1cccs1)N(C)C(=O)/C=C/c1ccco1 57833080 KWIPIHXAILEAIW-WSKFYRRCSA-N 261.346 3.574 0 40 CHAB CCN(Cc1ccccc1)C(=O)NC1CCCCC1 58619538 RMJUSOWSBQERPT-UHFFFAOYSA-N 260.381 3.551 0 40 CHAB COc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)cc1OC 59233312 GOVZVNBDPWRPHV-ZROIWOOFSA-N 295.338 3.505 0 40 CHAB Cc1ncsc1CNCc1cccc(Br)c1 70836422 SEMRBZRXBDYFAZ-UHFFFAOYSA-N 297.221 3.504 0 40 CHAB Cc1noc([C@@H](C)[S@@](=O)Cc2ccc(C(C)C)cc2)n1 71887985 QPRFOQXPWZDOBH-BIBXISHDSA-N 292.404 3.511 0 40 CHAB CN1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 72212034 VHHASBILFTZSES-KRWDZBQOSA-N 282.387 3.817 0 40 CHAB O=C(Nc1ccsc1)c1nc(Cl)ccc1Cl 79939324 INOBTDJVBWYFQD-UHFFFAOYSA-N 273.144 3.702 0 40 CHAB O=C(c1nccc2ccccc12)N1CCC[C@H]1c1ccc[nH]1 84598717 GJBASEQSVJFZAS-INIZCTEOSA-N 291.354 3.540 0 40 CHAB FC(F)(F)c1cccc(CNc2nc(C3CC3)no2)c1 95398737 JNCNXUGYDOJHTO-UHFFFAOYSA-N 283.253 3.578 0 40 CHAB Cc1cccc(C(=O)CC2(CC(=O)O)CCCC2)c1C 95634234 RFFYRSJWGKIJPP-UHFFFAOYSA-N 274.360 3.911 0 40 CHAB O=[S@](C1=C[C@H]2C[C@@H]1C1=C2[C@H]2C=C[C@H]1C2)c1ccccc1 101037613 XDWNQKXWIIDWPR-RGRIBRGSSA-N 280.392 3.830 0 40 CHAB COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3)nc2c1 216920731 LTXZSSBIHKRSLV-UHFFFAOYSA-N 286.718 3.670 0 40 CHAB CCSc1ccccc1C(=O)N[C@H](C)C(C)C 225221715 YWZNKOGQZIJYBJ-LLVKDONJSA-N 251.395 3.573 0 40 CHAB CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 225785650 UQCMNZLPOBTEJQ-MISXGVKJSA-N 293.794 3.657 0 40 CHAB COc1c(C(=O)NCc2ccc(C)cc2)oc2ccccc12 252489135 JGVFSIFIPWQQHZ-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)c1)C1CC(F)(F)C1 440538291 QXHOUUFYXDFNIT-UHFFFAOYSA-N 279.208 3.689 0 40 CHAB FC(F)(F)c1cccc(-c2cncc([C@@H]3CCCN3)n2)c1 616576658 XCDGBBRMPJKOSC-LBPRGKRZSA-N 293.292 3.587 0 40 CHAB CCOC(=O)n1ccc2cc(C(=O)OC(C)(C)C)ccc21 675082145 FMMLTGCCNPOEKP-UHFFFAOYSA-N 289.331 3.601 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccccc2n1 1775995688 DWYQQRBKJJITBR-IYBDPMFKSA-N 292.382 3.948 0 40 CHAB CCCC(=O)Nc1cc(C(F)(F)F)ccc1OCC 75457 JELLFOJLQFVHQF-UHFFFAOYSA-N 275.270 3.843 0 40 CHAB CCN(CC)C(=O)COc1ccc(Cl)cc1C(C)C 1616548 LSZYBPWFBYOIJU-UHFFFAOYSA-N 283.799 3.711 0 40 CHAB COc1cc2cnccc2cc1OCc1ccccc1 1756821 KDPCECJIDYQQEF-UHFFFAOYSA-N 265.312 3.822 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 3150980 CTOZKLGTVUYLLP-UHFFFAOYSA-N 297.354 3.813 0 40 CHAB CCC[C@H](C)NC(=O)CSCc1ccccc1C 6946832 XKTIGVJVWOAHNW-ZDUSSCGKSA-N 265.422 3.533 0 40 CHAB Cc1cccc(NC(=S)NCc2ccccc2C)c1 7102870 HSMWSZUKSYOPAO-UHFFFAOYSA-N 270.401 3.790 0 40 CHAB C[C@H](NC(=O)/C=C/c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102229729 XBXVJWLMSVDMJL-BNVFVJAHSA-N 269.388 3.641 0 40 CHAB CC1=CC=C/C(=C2/Nc3ccc(F)cc3N2C2CC2)C1=N 103754910 YWGMYCSJZZXJLS-PRYCOQAESA-N 281.334 3.967 0 40 CHAB CC(C)C[C@H](C)N(C)C(=O)c1cnc(-c2ccccc2)nc1 58278029 LHQKOXMGKDBYHL-AWEZNQCLSA-N 297.402 3.650 0 40 CHAB Cc1ccc(NC(=O)C[C@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100366734 TYQWYBWNFZCZMT-VCBZYWHSSA-N 299.414 3.965 0 40 CHAB O=C(Nc1ccncc1)c1cc(-n2cccc2)ccc1Cl 36358476 QLSGJNRGSMVZGV-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB CCOc1cccc(NC(=S)NCc2ccccc2)c1 54971791 RMHYGZBVEUWAMC-UHFFFAOYSA-N 286.400 3.572 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101290827 OPJVYVKELWZCHS-SJXGUFTOSA-N 257.377 3.550 0 40 CHAB O=C(CC1CCCC1)Nc1ccc(Br)cc1 3481159 IKCPOUKIMZNBBV-UHFFFAOYSA-N 282.181 3.968 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(Br)cc1 19676684 KNZDWSZSUKWEKE-SNVBAGLBSA-N 280.165 3.744 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](N)(=O)c1ccccc1 6576902 JEIUEGUEQPISEY-NEVJAFOQSA-N 295.363 3.941 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 6788212 NMJNBKGCRDZDGL-OCCSQVGLSA-N 268.360 3.543 0 40 CHAB C[C@H](NC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1 15626108 SVUCXHKFTZDTDQ-VIFPVBQESA-N 295.169 3.879 0 40 CHAB Cc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1 8767675 ROSSBAQGAOZBFQ-UHFFFAOYSA-N 292.382 3.677 0 40 CHAB C/C(=C\C(=O)Nc1ccc(O)cc1)c1cccc(F)c1 98055915 SUIVTSNVQIGRNK-PKNBQFBNSA-N 271.291 3.573 0 40 CHAB CCC[C@@H](NC(=O)c1c(C)noc1C)c1ccccc1 25255579 XIYJUQCBCUYJQQ-CQSZACIVSA-N 272.348 3.563 0 40 CHAB Clc1ccccc1CNCCCc1nc2ccccc2[nH]1 62718657 KRPNMMZDCPTDIM-UHFFFAOYSA-N 299.805 3.939 0 40 CHAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc(C)c2)cc1 38773200 PGCRNYIFJIQZCF-MRXNPFEDSA-N 297.398 3.729 0 40 CHAB C[C@H](N)CCN(C1CCCCC1)C1CCCCC1 37401905 FRXBNNVQEIEROV-AWEZNQCLSA-N 252.446 3.691 0 40 CHAB CC1(C)CC(=O)c2c(nc3cc(Cl)ccc3c2N)C1 35828137 GWSMBJDSHFWPGM-UHFFFAOYSA-N 274.751 3.626 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)c2ccccc2)C1 72208735 JTHREUKCPRMRTC-AWEZNQCLSA-N 289.375 3.516 0 40 CHAB CCc1ccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 222920137 HOLOCRWESYLTTO-UHFFFAOYSA-N 297.442 3.877 0 40 CHAB O=C(c1ccc(Cl)nc1)c1cccc(Br)c1 45038720 KEGVBAVHXNRWAQ-UHFFFAOYSA-N 296.551 3.729 0 40 CHAB Cc1c(-c2ccccc2)nc2sc(CC(C)C)nn12 40963860 LJQNWVIVIDWUNA-UHFFFAOYSA-N 271.389 3.965 0 40 CHAB CCCn1c(CC2CCCCC2)ccc1C(=O)OC 226023735 FMVRWKLYXTUWBC-UHFFFAOYSA-N 263.381 3.808 0 40 CHAB O=c1c2c(Cl)c(Cl)ccc2ccn1C(F)F 252500817 TVTJZAPHDIDGFI-UHFFFAOYSA-N 264.058 3.703 0 40 CHAB Cc1csc(C2(NCc3ccc(C)o3)CCC2)n1 299638639 SBUTYWPOESJPDR-UHFFFAOYSA-N 262.378 3.522 0 40 CHAB COC(=O)c1ccc(C(=O)C2CCCCC2)c(C)c1 575362217 AGEFLTCJQXQYQY-UHFFFAOYSA-N 260.333 3.545 0 40 CHAB CC(C)c1[nH]c([C@H]2CCCN2)nc1-c1ccccc1 36874177 HFUUCKOKFOFBNR-CYBMUJFWSA-N 255.365 3.625 0 40 CHAB in-vitro Cc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1 49967 KPNLOWYMOUPVQW-LFIBNONCSA-N 277.323 3.648 0 40 CHAB CC(C)(C)C(=O)N1CCS[C@@H](c2cccs2)CC1 219471414 NFSXVXKIQHDSLB-GFCCVEGCSA-N 283.462 3.801 0 40 CHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](N)(=O)c1ccccc1 13718415 JEIUEGUEQPISEY-NTNQKNOYSA-N 295.363 3.941 0 40 CHAB Cc1cc(Br)ccc1-c1ccc(C(=O)O)o1 16283279 KQNUUWRTDSFGCL-UHFFFAOYSA-N 281.105 3.716 0 40 CHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(C)c1 8040982 GQCIMGOGZKAHBF-OAHLLOKOSA-N 299.370 3.800 0 40 CHAB Cc1nc(N)sc1Cc1ccc(OC(F)(F)F)cc1 20380920 LBLCZGDNBHUDGJ-UHFFFAOYSA-N 288.294 3.523 0 40 CHAB in-vitro COc1cccc2cc([C@H](C)NCc3ccccn3)oc12 20091775 UKERCNWJNKVQEA-LBPRGKRZSA-N 282.343 3.687 0 40 CHAB O=C(Nc1cnc2ccccc2c1)c1ccc(F)cc1 13208238 DGGLXGABYZUJGW-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB COc1cc(-c2ccncc2)c(OC)cc1-c1ccncc1 95911120 QFLTVIGJZBWUMK-UHFFFAOYSA-N 292.338 3.828 0 40 CHAB CC(=O)O[C@H]1Cc2ccccc2N(C(=O)O)c2ccccc21 584578850 ZFGPKIKHCIMIBS-INIZCTEOSA-N 297.310 3.663 0 40 CHAB O=C(c1ccccc1Cl)N(Cc1ccco1)C1CC1 40060339 ZLBSJPUCNKNJIY-UHFFFAOYSA-N 275.735 3.738 0 40 CHAB CCOC(=O)N[C@H]1c2ccccc2Oc2ccc(C)cc21 143948 PFIRRKVRAAJDQE-INIZCTEOSA-N 283.327 3.936 0 40 CHAB O=C(NCCCc1ccccc1)Nc1ccc2c(c1)CCC2 20522063 JIZMAIITBSAKRK-UHFFFAOYSA-N 294.398 3.930 0 40 CHAB O=C1CCCC[C@@H]1Sc1nc2ccccc2s1 74104 NSARJIPVVYSBSL-LBPRGKRZSA-N 263.387 3.900 0 40 CHAB O=C(/C=C/c1ccccc1)N1CCCC[C@@H]1c1cccnc1 123509 FDJIGFPSANYVIK-IENJSVCTSA-N 292.382 3.849 0 40 CHAB CCC[C@H]1[C@@H](CC)C1(Br)Br 162168 FYYYLMWEQBJQSW-RQJHMYQMSA-N 270.008 3.929 0 40 CHAB CCc1cc2ccccc2nc1SCC(=O)OC(C)C 413282 WYBPPYDJAFUPQJ-UHFFFAOYSA-N 289.400 3.841 0 40 CHAB S=C(Nc1cccc2ccccc12)NN1CCCCCC1 1574994 AHGWUAQHOHOQAR-UHFFFAOYSA-N 299.443 3.917 0 40 CHAB COc1ccc(N(C)C(=S)c2ccccc2)cc1 1587403 CFYSQLZTLSLLOF-UHFFFAOYSA-N 257.358 3.507 0 40 CHAB N=C(N)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 1745988 QLAFLUSXWDXDLB-UHFFFAOYSA-N 295.169 3.856 0 40 CHAB C[C@H]1C[C@@H](C)CN(CCOCCSc2ccccc2)C1 4568467 RHUQQLBVJSNVLJ-IYBDPMFKSA-N 293.476 3.773 0 40 CHAB COc1ccc(NC(=S)Nc2ccccc2S)cc1 5550134 KONBRJKMGVZXKZ-UHFFFAOYSA-N 290.413 3.793 0 40 CHAB CC(C)(C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 5839621 VSIQJAJVMJKBRJ-FMIVXFBMSA-N 259.393 3.912 0 40 CHAB CCCCCc1c(C)nc(Nc2ccccc2)[nH]c1=O 8602394 XXTRZRAOPQYIPF-UHFFFAOYSA-N 271.364 3.555 0 40 CHAB O=C(Nc1ccccc1)c1ccccc1NC(=O)C1CCC1 8718110 SIVYQYVZOBWCIP-UHFFFAOYSA-N 294.354 3.678 0 40 CHAB FC(F)(F)Oc1ccc(-c2noc(-c3ccco3)n2)cc1 9135204 SIIDOVNHWRJXPO-UHFFFAOYSA-N 296.204 3.895 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@H]1C[C@H]1c1ccccc1F 9364689 RTDCNLLOQNWWLM-KBPBESRZSA-N 299.345 3.885 0 40 CHAB O=C(Nc1ccc2scnc2c1)c1ccccc1F 10217527 YUBONJODMUXHQC-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(F)cc1 14013261 GAZQTJFEAUVPCS-MRXNPFEDSA-N 287.334 3.930 0 40 CHAB Cc1ccc(NC(=O)c2oc3ccccc3c2N)cc1C 19724399 DKJPRSLYWQQQBR-UHFFFAOYSA-N 280.327 3.884 0 40 CHAB CCOc1cccc(CNC(=O)/C=C/c2ccc(C)cc2)c1 20107619 QFSGGXVUSSRXIU-VAWYXSNFSA-N 295.382 3.723 0 40 CHAB Cc1nc(N[C@H](C)CCc2ccccc2)sc1C(=O)O 20156584 CYYAAQFRKBPFLS-SNVBAGLBSA-N 290.388 3.583 0 40 CHAB O=C(Nc1ncccn1)c1cccc(Oc2ccccc2)c1 21210777 PVRNYTAJURXDEA-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB CCC[C@@H](NC(=O)c1ccc(C)nc1)c1ccccc1 22414116 YRCNDHHWDNYTIN-MRXNPFEDSA-N 268.360 3.661 0 40 CHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCc2sccc2C1 23904222 VUGBSJDDBDHPDS-SNVBAGLBSA-N 291.420 3.548 0 40 CHAB O=C(NC[C@H]1CCCO1)c1ccc(C2CCCCC2)cc1 25044059 ZVDSUQHPXAMEFW-QGZVFWFLSA-N 287.403 3.643 0 40 CHAB CCOC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 26688398 KIYCMJAAQBJEIY-UHFFFAOYSA-N 295.342 3.878 0 40 CHAB Cc1noc([C@H](C)Nc2ccc3oc(C(C)C)nc3c2)n1 27044476 QIWXDZNATRQSIW-VIFPVBQESA-N 286.335 3.816 0 40 CHAB CC(C)(C)c1cc(NC(=O)Cc2c[nH]c3ccccc23)no1 27925185 KWUDYLBATWPUON-UHFFFAOYSA-N 297.358 3.635 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 30752459 SPTSJUMQZJFJJL-HUUCEWRRSA-N 295.382 3.740 0 40 CHAB O=C(Nc1ccccc1Br)[C@H]1CC=CCC1 36719812 RPCAQSICUZDVRQ-JTQLQIEISA-N 280.165 3.744 0 40 CHAB CCOc1ccccc1NC(=O)NCCc1cccs1 40098766 RXLLNOGIQNAPPL-UHFFFAOYSA-N 290.388 3.511 0 40 CHAB Clc1ccccc1-c1nnc2sc(C3CCC3)nn12 40286583 UWZUQRYUADFLFN-UHFFFAOYSA-N 290.779 3.774 0 40 CHAB COC(=O)C[C@@H](c1ccccc1)c1cc(C)ccc1OC 40448856 BJQJPTJDNINOMT-HNNXBMFYSA-N 284.355 3.699 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N2CCCC(C)(C)C2)c1C 44849902 WHSNGKAPFSRIAN-HNNXBMFYSA-N 289.419 3.719 0 40 CHAB COc1ccc(OC)c(CNc2cnc3ccccc3c2)c1 45258025 MMOFZEGEDZSEPI-UHFFFAOYSA-N 294.354 3.864 0 40 CHAB O=C(O)Cc1cccc(-c2nc3ccc(F)cc3s2)c1 45923196 AESHZVFEUYXIIR-UHFFFAOYSA-N 287.315 3.730 0 40 CHAB Fc1cccc(NCc2nc(-c3cccs3)no2)c1 48345226 RIQVWEWXZIZJSG-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB CC(C)(C)NC(=O)c1cnc(-c2ccccc2Cl)s1 50256411 VQZCHZHVZIBEMU-UHFFFAOYSA-N 294.807 3.992 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1cccc(F)c1 55199063 YGYWEOKEZVIXDT-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB COc1ccc(Cl)cc1C(=O)COc1ccccc1 55200624 CAYCQORYESGMCO-UHFFFAOYSA-N 276.719 3.610 0 40 CHAB NCc1cccc(Oc2cccc(C(F)(F)F)c2)c1 59680252 BURZZIKCSZTYFU-UHFFFAOYSA-N 267.250 3.956 0 40 CHAB C(=C/c1ccccc1)\CNCCCc1nc2ccccc2[nH]1 62718648 LJOINUDAHRLTJJ-UXBLZVDNSA-N 291.398 3.799 0 40 CHAB CC[C@H](C)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 68563698 AQRWTIKKFFSMID-BBRMVZONSA-N 297.402 3.793 0 40 CHAB O=C(c1cccnc1Sc1ccccc1)N1CCCCC1 70707770 UJSYDCKYZVDLIO-UHFFFAOYSA-N 298.411 3.859 0 40 CHAB CCc1ccccc1NC(=O)c1c(C)nc2ccc(C)cn12 71459158 QUFYEUOXRGYBQC-UHFFFAOYSA-N 293.370 3.766 0 40 CHAB Cc1cccc(CS[C@@H](C)C(=O)NC2CCCC2)c1 71818610 FTKYQSJOLDUYIA-ZDUSSCGKSA-N 277.433 3.676 0 40 CHAB CC(C)CN1CCCC[C@H]1c1cccnc1S 72217084 PHCRMJZSMGPPHB-ZDUSSCGKSA-N 250.411 3.553 0 40 CHAB O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCCCC1 73260872 MBJOGKBBIGAYSD-CHWSQXEVSA-N 297.320 3.821 0 40 CHAB COc1ccc(C(=O)N2CCc3ccccc32)cc1Cl 74946878 VXPZCMRTDJEARP-UHFFFAOYSA-N 287.746 3.552 0 40 CHAB CCSc1ccc([C@@H](C)NC2CCOCC2)cc1 95421780 CFXCNGFCHNLBFQ-GFCCVEGCSA-N 265.422 3.628 0 40 CHAB Cc1cn(-c2ccc(Br)cc2Cl)cn1 95915875 QKSVCHNCXNFFEN-UHFFFAOYSA-N 271.545 3.597 0 40 CHAB O=C(Nc1cc(-c2cccnc2)no1)c1cccc(Cl)c1 96184009 GHOWURRZKVNWKH-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB C1=C(c2c[nH]c3ccccc23)CCN(Cc2cncs2)C1 97234726 VBGLJGMSUAMROB-UHFFFAOYSA-N 295.411 3.914 0 40 CHAB CN(Cc1ccccc1Cl)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102270066 NWPHDVUDDVHSLZ-OBJOEFQTSA-N 275.779 3.511 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(C)c2)cc1 113968913 OOUUNYIEXLPWJU-OAHLLOKOSA-N 283.371 3.560 0 40 CHAB Cc1cc(CNC[C@@H](C)c2cccc(Cl)c2)on1 188263451 YKLVKIQTJVQJGZ-SNVBAGLBSA-N 264.756 3.530 0 40 CHAB CCCCOc1ccccc1[C@H](C)NC[C@H]1CCCO1 225162137 HIVCPSLTVHCDSA-LSDHHAIUSA-N 277.408 3.695 0 40 CHAB Nc1ccc(-c2noc(-c3cccs3)n2)c(Cl)c1 225175972 WJCCBKGDGNTDBV-UHFFFAOYSA-N 277.736 3.701 0 40 CHAB CCOC(=O)c1cc(N)ccc1NCCC1=CCCCC1 225456599 BXUYCEMDLJTGLX-UHFFFAOYSA-N 288.391 3.748 0 40 CHAB Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1C 225640588 LJTRNDLBJJZLJN-SQWLQELKSA-N 257.377 3.530 0 40 CHAB CC(C)n1nc(C2CC2)cc1CNCc1ccc(F)s1 256049552 AKHPBQVWBSXIIT-UHFFFAOYSA-N 293.411 3.832 0 40 CHAB Cc1cc(C(=O)N2CC[C@H](c3ccsc3)C2)c(C)o1 670785058 WLHZFERPVUUKMG-LBPRGKRZSA-N 275.373 3.588 0 40 CHAB CN1CCC[C@H]1Cc1c[nH]c2ccc(Br)cc12 16286 JCXOJXALBTZEFE-LBPRGKRZSA-N 293.208 3.567 0 40 CHAB Cc1cc(OC(=O)COc2ccccc2C)ccc1Cl 130117 NFBARPDHDZQRNG-UHFFFAOYSA-N 290.746 3.941 0 40 CHAB CC(C)(C)NC(=O)CSc1ccc(C(C)(C)C)cc1 386118 KKEWIDFBUJMVKG-UHFFFAOYSA-N 279.449 3.991 0 40 CHAB Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1 501513 OOCYOQPXYLFKIH-UHFFFAOYSA-N 280.375 3.800 0 40 CHAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 518397 VOXZDWNPVJITMN-RSJGLCBASA-N 272.388 3.609 0 40 CHAB CC[C@H](C)c1ccccc1OCC(=O)n1nc(C)cc1C 1298209 HBRDQKWQESNDSQ-LBPRGKRZSA-N 286.375 3.733 0 40 CHAB O=C(NC(=O)c1ccccc1)Sc1ccc(Cl)cc1 1470903 BPNNEKWVGCKQAJ-UHFFFAOYSA-N 291.759 3.982 0 40 CHAB O=C(c1ccc(O)cc1)c1cc(Cl)cc(Cl)c1O 2573866 TWJURVSZFBSVAB-UHFFFAOYSA-N 283.110 3.636 0 40 CHAB CCOC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1 2580372 PXHOSTSMXOPDRQ-UHFFFAOYSA-N 262.349 3.510 0 40 CHAB CC(C)(C)NC(=O)Nc1ccc(C(F)(F)F)cc1 2728433 ZLRSGBPUOVSQAR-UHFFFAOYSA-N 260.259 3.625 0 40 CHAB CCCc1cn(-c2ccccc2)c(=O)n1-c1ccccc1 3055827 NBKXHUMPMMZHNS-UHFFFAOYSA-N 278.355 3.581 0 40 CHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1 3100371 OFDHDRPORAHYSM-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB O=C(Nc1cc(Cl)ccc1Cl)[C@H](F)C(F)(F)F 3183078 ODKRHCWTYSDCBQ-ZETCQYMHSA-N 290.043 3.832 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cl)c1 3431082 NDCNCKJSWMNUAE-MFKMUULPSA-N 251.757 3.649 0 40 CHAB CCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4033917 YENUQJUWLMKXCA-UHFFFAOYSA-N 279.343 3.969 0 40 CHAB COc1ccc([C@H](C)NCc2ccccc2)cc1OC 4240691 VWNXQIVCUARDPH-ZDUSSCGKSA-N 271.360 3.555 0 40 CHAB O[C@]1(C(F)(F)F)ON=C2/C(=C/c3ccccc3)CCC[C@@H]21 4269870 RHOOTQAOZKPADG-ZFYXDYSTSA-N 297.276 3.507 0 40 CHAB CC(C)(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4323689 CLPUBDXEFYRXMU-UHFFFAOYSA-N 272.188 3.952 0 40 CHAB CC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=CCCCC[C@H]32)c1 4664588 JGHLKYZOSXUQGC-BBWFWOEESA-N 283.371 3.820 0 40 CHAB COc1ccccc1C(=O)Oc1cccc2c(O)cccc12 4666501 OVGBDBDPRVJMDP-UHFFFAOYSA-N 294.306 3.773 0 40 CHAB CC1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1 4889362 GPNLJAZAPSEYDT-IRXDYDNUSA-N 267.372 3.603 0 40 CHAB CC(C)=C(Br)C(=O)C(Br)=C(C)C 5194601 PUEVYUYFTVIIKD-UHFFFAOYSA-N 296.002 3.933 0 40 CHAB COc1ccc(OC)c(NC(=O)c2cccc(C)c2C)c1 6396001 BSOBIFKTSVZEMO-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB Cc1ccc([C@H](CN(C)C)C(=O)c2ccccc2)cc1 6522720 MTMMTHHYFQNUKN-KRWDZBQOSA-N 267.372 3.523 0 40 CHAB COc1cccc(-c2noc(CCC3CCCC3)n2)c1 7781550 YCCZQSMGAKWIBR-UHFFFAOYSA-N 272.348 3.868 0 40 CHAB Cc1cccc(CC(=O)Nc2ccc(C)cc2C)c1 8382894 OYHDYAMQXIYVAY-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CN(Cc1ccccc1)C(=O)c1ccc2ccccc2n1 9846127 GJWUGQCHNSJBRG-UHFFFAOYSA-N 276.339 3.507 0 40 CHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1 12562535 NPHQEVHHLRQGEH-LBPRGKRZSA-N 298.361 3.754 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(F)cc2F)s1 12599213 YQBFEXRIZUOHJE-UHFFFAOYSA-N 253.273 3.587 0 40 CHAB CC(C)c1ccccc1NC(=O)/C=C/c1cccnc1 12735097 HQSDPEHECWUXBC-MDZDMXLPSA-N 266.344 3.857 0 40 CHAB Cc1cccc(NC(=O)[C@H](C)N(C)Cc2ccsc2)c1 12917022 GGKPXLODLVSJTN-ZDUSSCGKSA-N 288.416 3.516 0 40 CHAB COc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1 13022453 DIXWHTIDCDLYMB-KRWDZBQOSA-N 281.355 3.754 0 40 CHAB Cc1ccc(-n2nc(C)c(NC(=O)C3CCC3)c2C)cc1 13024222 JDTJCPYHUJKDIY-UHFFFAOYSA-N 283.375 3.536 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1 14180551 DCCTYDOYIGVYLB-NSHDSACASA-N 260.362 3.939 0 40 CHAB Fc1ccc(CSC2=N[C@@H]3CCCC[C@@H]3N2)c(Cl)c1 14196668 MZLCWNMQPLWQFP-BETUJISGSA-N 298.814 3.983 0 40 CHAB Cc1nc2cc(NC(=O)c3ccc4c(c3)CCC4)ccc2o1 15564786 JRIABGOIYVNUDZ-UHFFFAOYSA-N 292.338 3.877 0 40 CHAB Cc1cccc(C)c1NC(=O)C1(c2ccccc2)CC1 15992412 PHYILMNRCPNCSE-UHFFFAOYSA-N 265.356 3.974 0 40 CHAB CC[C@@H](NC(=O)c1cccc(C)c1)c1ccc(OC)cc1 18131766 YKPANWBNSAHHBU-QGZVFWFLSA-N 283.371 3.885 0 40 CHAB CCCCCOc1ccc(CNCc2cccnc2)cc1 19737633 NYNMUKFRSYRCOR-UHFFFAOYSA-N 284.403 3.940 0 40 CHAB COc1ccc(-c2nc(Cl)n(-c3ccccc3)n2)cc1 22125179 FMYCYNPRSSRAFI-UHFFFAOYSA-N 285.734 3.596 0 40 CHAB Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)nc1 27641538 IEKRMLSKIRTGSR-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB Cc1cccc(NC(=O)c2oc3ccccc3c2C)n1 32721919 AYVGZFVWLUXEJZ-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB O=C(O)Cc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 33420303 MQBAVJCSIXDBPU-UHFFFAOYSA-N 287.702 3.775 0 40 CHAB in-vitro Nc1ccc(Br)cc1Cc1ccccc1 39392081 ZIADYBWNQHGRTB-UHFFFAOYSA-N 262.150 3.622 0 40 CHAB Cc1cccc(C(=O)c2ccccc2Br)c1 43210204 WJCGUPWVAISGFI-UHFFFAOYSA-N 275.145 3.989 0 40 CHAB c1ccc(-c2nc(CSC3=NCCS3)co2)cc1 44865710 XLJVUQAQNGTFFI-UHFFFAOYSA-N 276.386 3.678 0 40 CHAB CCOCCCC(=O)Nc1ncc(-c2ccccc2)s1 47093008 XDTLESHNEASLCZ-UHFFFAOYSA-N 290.388 3.565 0 40 CHAB CN(Cc1ccsc1)C(=O)Cc1ccc2c(c1)CCCC2 48340011 RVBGTXGGHSZMGI-UHFFFAOYSA-N 299.439 3.828 0 40 CHAB CC(C)NCc1cc(-c2ccc(C(C)C)cc2)n[nH]1 50479219 QXRGQGIBWHPLCU-UHFFFAOYSA-N 257.381 3.698 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2cccnc2)C2CC2)C1(C)C 53472441 TXYRIVDORJRCGG-IAGOWNOFSA-N 298.430 3.811 0 40 CHAB Cc1ccc(F)cc1[C@H](O)c1cccc(Br)c1 55201570 JLBLSDRVXINAJU-CQSZACIVSA-N 295.151 3.978 0 40 CHAB CC(C)=CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 58175211 YWMPYKJQGZGZFR-UHFFFAOYSA-N 271.364 3.765 0 40 CHAB CCc1cc(N)cc2nc(-c3ccc(OC)cc3)oc12 62540724 ITOLNWSDDDDADX-UHFFFAOYSA-N 268.316 3.648 0 40 CHAB Cc1sc2ncnc(NCCC(F)(F)F)c2c1C 63100675 VDQKBWHCTIKJQL-UHFFFAOYSA-N 275.299 3.672 0 40 CHAB Cc1noc([C@@H](C)[S@](=O)Cc2ccc(C(C)C)cc2)n1 71887987 QPRFOQXPWZDOBH-GIPWTMENSA-N 292.404 3.511 0 40 CHAB CC(C)(C)Sc1ccc(N2CCCCC2)nc1 72225460 RPNPRSZGILSOHQ-UHFFFAOYSA-N 250.411 3.963 0 40 CHAB Cc1cc(-n2cnnc2)cc2nc(-c3ccc(F)cc3)oc12 73639454 RBHZGOIAKFIIDC-UHFFFAOYSA-N 294.289 3.523 0 40 CHAB FC(F)(F)C(Cl)(Cl)C(F)(Cl)Cl 75758214 VOEBBCDMYRPKRD-UHFFFAOYSA-N 253.837 3.824 0 40 CHAB CCC(CC)(C(=O)O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 88613826 NBVVOWRJFZCUKU-GFCCVEGCSA-N 299.411 3.525 0 40 CHAB COC(=O)[C@@H](C)CSCc1cc2ccccc2s1 95997532 HONCUOYFZOJZNB-JTQLQIEISA-N 280.414 3.944 0 40 CHAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cc2cc(Cl)ccc2o1 97370978 CKAXKZTXEDSHQU-UHIISALHSA-N 291.778 3.674 0 40 CHAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]1[C@@H]1CC[C@@H]2C1 101261775 GIXJWQWFZRJSRT-BBUSGVIWSA-N 281.446 3.625 0 40 CHAB C[C@H](NC(=O)Nc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 103107024 UYRIPAJMUINYJF-JUFZMCDQSA-N 276.355 3.772 0 40 CHAB Cc1cccc(CNC(=O)c2ccc(C)cc2Cl)c1 192310249 RZDLHOCQXXBOAZ-UHFFFAOYSA-N 273.763 3.887 0 40 CHAB CCCOc1ccc(C(=O)NC(C(C)C)C(C)C)cc1 218980503 KPYKNEWXOCYSJH-UHFFFAOYSA-N 277.408 3.886 0 40 CHAB O=C(CC1CC1)N1CCS[C@@H](c2ccccc2F)CC1 219124531 XJBAYKWAGXTZGN-OAHLLOKOSA-N 293.407 3.632 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)NCC1=CCCCC1 223409258 GACILJMSRWORLB-ZDUSSCGKSA-N 275.417 3.784 0 40 CHAB CCCCNCc1cccn1Cc1ccc(C)cc1 223678849 BYKDUNJKZFXBPT-UHFFFAOYSA-N 256.393 3.735 0 40 CHAB CC(C)[C@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 225211393 QBKMXRQYAHPFPI-UONOGXRCSA-N 285.387 3.768 0 40 CHAB Cc1cc(-n2cccc2)cc(-c2nc3ncccc3o2)c1O 226281646 AZHZPDXNKBTVQV-UHFFFAOYSA-N 291.310 3.695 0 40 CHAB COc1ccc(CNCc2csc(C3CCC3)n2)cc1 227154247 QQNJQYZITONLCA-UHFFFAOYSA-N 288.416 3.709 0 40 CHAB O=C(Cc1ccc(Cl)cc1)N1CCC(=C2CC2)CC1 238862814 LBHCXDDHAAOZKT-UHFFFAOYSA-N 275.779 3.595 0 40 CHAB COc1ccc2c(c1)Cc1sc(=Nc3ccccc3)[nH]c1-2 408900306 UZFNKGNAVVINKP-UHFFFAOYSA-N 294.379 3.888 0 40 CHAB CCCC[C@@H](CC)C(=O)c1ccc(C(=O)OCC)o1 575361958 VODCDPSEKPJUAE-LLVKDONJSA-N 266.337 3.855 0 40 CHAB CC(C)c1nc2ccccc2n1C1CN(C2CCC2)C1 1888854681 PUQCZEQQFDWUEZ-UHFFFAOYSA-N 269.392 3.569 0 40 CHAB COC(=O)c1cc2c(OC(C)C)cc(OC(C)C)cc2[nH]1 1911936310 ZNFMBFABCSHXPM-UHFFFAOYSA-N 291.347 3.529 0 40 CHAB Cc1cc(C)nc(SC(Cl)(Cl)Cl)n1 207079 LIHADGZWGSBTRS-UHFFFAOYSA-N 257.573 3.513 0 40 CHAB CC(C)[C@@H](C(=O)Nc1nccs1)c1ccccc1 249468 KRDWLOVJYLFTGK-GFCCVEGCSA-N 260.362 3.521 0 40 CHAB CCN(C(=O)c1ccc(C)c(C)c1)c1ccccc1 288421 GPEPZAHUJXGHHL-UHFFFAOYSA-N 253.345 3.970 0 40 CHAB Cc1cc(C)cc(NC(=O)COc2cc(C)ccc2C)c1 363433 WSXRAVQCJGDUPP-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CCc1cccc(C)c1NS(=O)(=O)c1ccccc1C 383757 FFIHZFDVWXPSRW-UHFFFAOYSA-N 289.400 3.667 0 40 CHAB CC1(C)C[C@H]([C@@H]2NCCc3c2[nH]c2ccccc32)CCO1 518094 TYMZPQWLYHQVOT-WBMJQRKESA-N 284.403 3.560 0 40 CHAB biogenic COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@@H]21 519139 ULAADVBNYHGIBP-VPAKFMSCSA-N 286.415 3.912 0 40 CHAB Cc1ccc(-c2cn3nc(-c4ccccc4)cnc3n2)cc1 1263421 DLJZAJAESRGUNM-UHFFFAOYSA-N 286.338 3.767 0 40 CHAB Nc1cc(Cl)ccc1C(=O)c1ccccc1Cl 1611959 HIRDYLVKLLGUTQ-UHFFFAOYSA-N 266.127 3.807 0 40 CHAB CC[C@H](C)[C@H]1CC1(Br)Br 1711600 FRDCOCGDTNKQFV-NTSWFWBYSA-N 255.981 3.539 0 40 CHAB O=C(CSc1nc2ccccc2s1)c1ccc[nH]1 2653884 VXEXEGFAURHLBR-UHFFFAOYSA-N 274.370 3.599 0 40 CHAB O=C(O[C@@H]1CCCCC1=O)c1ccc(Cl)c(Cl)c1 3342061 HNJFPXBYGDOAIP-GFCCVEGCSA-N 287.142 3.662 0 40 CHAB CSc1ncccc1C(=O)Nc1cccc(C)c1C 3482253 FJNLUWZTVRRUIQ-UHFFFAOYSA-N 272.373 3.673 0 40 CHAB CCCSc1nnc(NC(=O)C2CCCCC2)s1 4086578 JCXSBBWYGDWRTO-UHFFFAOYSA-N 285.438 3.559 0 40 CHAB CCCOC(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 4676143 AYZSWIYPPKXVCA-UHFFFAOYSA-N 277.364 3.628 0 40 CHAB COc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 5638156 AFIZXKRRUMBXPC-UHFFFAOYSA-N 295.338 3.714 0 40 CHAB CC(C)O[P@](C)(=O)OCC(Cl)(Cl)Cl 5732913 XUWMGGAHIPLLRJ-CYBMUJFWSA-N 269.492 3.621 0 40 CHAB Cc1cc(C)n(CCc2nc(-c3ccc(C)o3)cs2)n1 5783160 MFAUHZWOUUSUNW-UHFFFAOYSA-N 287.388 3.768 0 40 CHAB C[C@]12CC[C@@H]3[C@H]4CC[C@@H](O)C[C@H]4CC[C@H]3[C@@H]1CCC2=O 6067696 UOUIARGWRPHDBX-DHMVHTBWSA-N 276.420 3.569 0 40 CHAB endogenous,in-man O=C(N[C@H]1CCCc2ccccc21)C1CCCCC1 6229539 MKPYVLCJBQPKAH-INIZCTEOSA-N 257.377 3.761 0 40 CHAB C#CCn1cc(/C=N/Nc2ccccc2)c2ccccc21 6295454 UVPFZKCUNPPRCE-CPNJWEJPSA-N 273.339 3.721 0 40 CHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1 7242383 BWZITBPKNMMPEF-ZDUSSCGKSA-N 280.371 3.614 0 40 CHAB COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1 7255943 CJIMBEIWORBBOQ-UHFFFAOYSA-N 293.322 3.600 0 40 CHAB Cc1cc2occ(CC(=O)NCc3ccco3)c2cc1C 10213810 VTZFSPPEFWSLGJ-UHFFFAOYSA-N 283.327 3.502 0 40 CHAB Cc1csc(NC(=O)c2ccc3c4c(cccc24)CC3)n1 11985309 HBMORZDPELWZFN-UHFFFAOYSA-N 294.379 3.956 0 40 CHAB Cc1nc(-c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)co1 12899701 WWFVOWUSSRAJMP-AWEZNQCLSA-N 282.343 3.945 0 40 CHAB CC(C)c1ccc(-c2nonc2NC(=O)c2ccco2)cc1 13735734 RZJJZIVIEGYUOJ-UHFFFAOYSA-N 297.314 3.705 0 40 CHAB O=C(Nc1ccccc1OC(F)F)c1ccsc1 14120178 ZTHNRSHTKXMMDN-UHFFFAOYSA-N 269.272 3.602 0 40 CHAB COc1ccc([C@H](C)NC2CCC(C)CC2)c(OC)c1 19918008 KHGDUCLLIVORHM-MOKVOYLWSA-N 277.408 3.933 0 40 CHAB in-vitro Cc1ccncc1-c1noc(-c2ccc3cc[nH]c3c2)n1 20783908 MIQDYXBWZMJIAW-UHFFFAOYSA-N 276.299 3.588 0 40 CHAB CC(C)C[C@H](NC=O)C1(c2ccc(Cl)cc2)CCC1 22054825 IYVDPOSYKKHSFG-HNNXBMFYSA-N 279.811 3.922 0 40 CHAB in-vitro Cc1c(SC(=N)N)c2ccccc2n1Cc1ccccc1 26422298 PZZWSKVCPINBKE-UHFFFAOYSA-N 295.411 3.984 0 40 CHAB Nc1[nH]nc(-c2ccco2)c1-c1ccccc1Cl 26511586 YQZMGXUFTQOAQL-UHFFFAOYSA-N 259.696 3.572 0 40 CHAB Fc1ccc(-c2nnc(NCCc3ccccc3)s2)cc1 28245072 JRSLNANFGFSMRD-UHFFFAOYSA-N 299.374 3.999 0 40 CHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2cccs2)o1 32204989 QBMHUNCNDLRRIP-OPCVDXRUSA-N 287.384 3.794 0 40 CHAB CCOC(=O)c1sc(Cl)nc1-c1ccccc1 32500058 GCYRUFVHYNWOFH-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccco2)cc1C 32748186 HAHRBRNQUGCWCK-AWEZNQCLSA-N 299.370 3.737 0 40 CHAB COC(=O)c1occc1/C=C/c1nc2ccccc2s1 32853595 XGDXHYWGEBABLN-VOTSOKGWSA-N 285.324 3.846 0 40 CHAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccco1 38372066 VVVFSNAUWCHYLJ-SNVBAGLBSA-N 289.360 3.584 0 40 CHAB O=C(O)Cc1cccc(-c2nc3ccccc3s2)c1 41127573 UEWBVPQVATVORA-UHFFFAOYSA-N 269.325 3.590 0 40 CHAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccs1 41596975 AFEJOGGTXFPBCZ-CYBMUJFWSA-N 257.358 3.725 0 40 CHAB Cc1ccc([C@H](C)NC(=O)NC2CCCCC2)cc1 48646756 AYWUFQPZGSHWOD-ZDUSSCGKSA-N 260.381 3.688 0 40 CHAB Cc1cc(Br)c(O)c(C(=O)CC(C)C)c1 52068558 MLQPNJOLDRIUEP-UHFFFAOYSA-N 271.154 3.692 0 40 CHAB COc1ccc([C@@H](C)NC(=O)c2cc(C)oc2C)cc1F 57524768 YICRCKZEYLAHCI-SNVBAGLBSA-N 291.322 3.535 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 58161667 ZVVHDPSTORAQNJ-GFCCVEGCSA-N 276.386 3.507 0 40 CHAB CC(C)C[C@H](CN(C)C)NCc1cnc(C(C)(C)C)s1 62838959 JYCSABBOWQBSAU-CYBMUJFWSA-N 297.512 3.507 0 40 CHAB CCOc1cccc2c1cc(C(=O)O)n2Cc1ccccc1 67799293 JCWFWJMNYAPGJL-UHFFFAOYSA-N 295.338 3.787 0 40 CHAB Cc1cc(C(=O)Nc2ccc3c(c2)CCCN3)c(C)o1 71214807 ZUEJPSHGWUDYOU-UHFFFAOYSA-N 270.332 3.507 0 40 CHAB O=c1[nH]cnc2ccc(-c3ccccc3C(F)(F)F)cc12 82768238 ZYXBTYHCFQAGCA-UHFFFAOYSA-N 290.244 3.609 0 40 CHAB CCCOc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1 92729564 RTVJWYVVYJTZSQ-KRWDZBQOSA-N 299.418 3.926 0 40 CHAB O=C(CC(F)(F)F)N(Cc1ccccc1)c1ccncc1 95996666 SWUKYAUBQKSYJC-UHFFFAOYSA-N 294.276 3.567 0 40 CHAB Cc1csc([C@@H](OC(=O)c2ccoc2)C(F)(F)F)n1 96456257 HXARRMFPODVXNZ-MRVPVSSYSA-N 291.250 3.505 0 40 CHAB CC1(C)O[C@@H](c2ccc3c(c2)OCO3)Nc2ccccc21 102461532 UDMIZHXZXRASCZ-INIZCTEOSA-N 283.327 3.791 0 40 CHAB C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(Cl)s2)[nH]n1 194586444 NULWPTOXIOSGBM-NKWVEPMBSA-N 281.768 3.500 0 40 CHAB c1ccc2oc(CCCSCc3ccon3)nc2c1 195579757 XUKTYPQYEORBRE-UHFFFAOYSA-N 274.345 3.682 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCC1CCCCC1 224439432 HIODSLZGGPQHMS-QGZVFWFLSA-N 289.419 3.849 0 40 CHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)cc1 225621492 CJIFXMIFPNHVOM-MRXNPFEDSA-N 279.380 3.619 0 40 CHAB CCC[n+]1ccc(-c2nc3ccc(C)cc3s2)cc1 226773240 DVARFAUDNCBGHY-UHFFFAOYSA-N 269.393 3.969 0 40 CHAB C[C@@]1(Cc2ccccc2)Cc2cc(CCC(=O)O)ccc2O1 257279068 OEWPGIRFTRVXNY-LJQANCHMSA-N 296.366 3.640 0 40 CHAB O=C(c1cc(Br)cs1)C(F)(F)Cl 306389836 XMMKZZQYMSZIIN-UHFFFAOYSA-N 275.501 3.525 0 40 CHAB Cc1cc(Cl)cc2c(I)c[nH]c12 575442739 QECUNILWJNKOFT-UHFFFAOYSA-N 291.519 3.734 0 40 CHAB Brc1ccc2nccc(OCC3CC3)c2c1 685937765 PVLDFGJYMNYOAW-UHFFFAOYSA-N 278.149 3.786 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC1CCCCC1 1775995640 CMIDIUQEHVGSQV-GASCZTMLSA-N 262.397 3.602 0 40 CHAB Cc1cccc(OC(=O)COc2ccc(Cl)cc2)c1 142584 LRZBFJXJIJPANY-UHFFFAOYSA-N 276.719 3.633 0 40 CHAB OCC[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 209435 YPRZYMJRAMUODQ-LBPRGKRZSA-N 288.218 3.730 0 40 CHAB O=C(C1CCC1)N(Cc1ccccc1)Cc1ccco1 257167 WVCJRGMVSAUFHA-UHFFFAOYSA-N 269.344 3.609 0 40 CHAB COc1cc2c(cc1O)[C@@H](C)[C@H](c1ccccc1)O2 1560390 FRERFZXINXYHDY-QLJPJBMISA-N 256.301 3.638 0 40 CHAB biogenic,in-vitro CCCCOCCOCCOc1ccc(Cl)cc1 1734274 HZJWWCBUCWQYPN-UHFFFAOYSA-N 272.772 3.552 0 40 CHAB O=C(NCc1ccco1)c1ccc(-c2ccc(F)cc2)o1 2707004 XXBIGNDVAMFAKC-UHFFFAOYSA-N 285.274 3.609 0 40 CHAB Cc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 3340406 FZDNODULUVNGDC-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB Cc1nc(SCc2ccc(Cl)cc2)n(C)c1C 4024021 HVDHKFNRUIUJJX-UHFFFAOYSA-N 266.797 3.983 0 40 CHAB CCCCOC(=O)Nc1nnc(-c2cccs2)s1 4694973 YDICOPXVALNZLU-UHFFFAOYSA-N 283.378 3.615 0 40 CHAB CCCSc1nnc(NC(=O)c2cccc(C)c2)s1 4694978 SGWGZEXGCSQTDT-UHFFFAOYSA-N 293.417 3.601 0 40 CHAB O=C1S/C(=C\c2ccccc2O)C(=O)N1c1ccccc1 4785135 SADWUPZOBYHAAM-UVTDQMKNSA-N 297.335 3.633 0 40 CHAB COCc1cccc(C(=O)Nc2cc(F)ccc2C)c1 5278914 KDHHLEYAPDIVMS-UHFFFAOYSA-N 273.307 3.533 0 40 CHAB COc1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1 5285201 SOLWNEHWWQAFCU-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB COc1ccccc1NC(=O)Nc1c[nH]c2ccccc12 5299943 ITZCNESCBBKQEM-UHFFFAOYSA-N 281.315 3.821 0 40 CHAB COc1ccc([C@@H]2ON(c3ccccn3)CC=C2C)cc1 5499069 DRWFAZTXANKKGB-QGZVFWFLSA-N 282.343 3.529 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3cccnc3)cc2)oc1C 6825257 KSJIERHWGHXIMO-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB Cc1ccc(F)c(Nc2ncnc3sccc23)c1 8315873 YNJZTKPIJUHKFW-UHFFFAOYSA-N 259.309 3.882 0 40 CHAB CCOc1ccc(C(=S)N2CCCCCC2)cc1OC 13547112 IHGVHSURQGJUMS-UHFFFAOYSA-N 293.432 3.645 0 40 CHAB CCC(C)(C)NCc1ccc(Br)cc1 13717825 DOCCMHIJVKCDCY-UHFFFAOYSA-N 256.187 3.727 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 14603081 AGERWBYLPJUVRF-QMTHXVAHSA-N 298.411 3.893 0 40 CHAB Cn1c(Sc2ncnc3sccc23)nc2ccccc21 15981310 PUZAXLILVJESDX-UHFFFAOYSA-N 298.396 3.729 0 40 CHAB CC[C@@H](CO)Nc1ncnc2sc(-c3ccccc3)cc12 20321410 LXBQVSXRDIXZRQ-LBPRGKRZSA-N 299.399 3.541 0 40 CHAB CCONC(=O)c1sc2cccc(Cl)c2c1Cl 30603895 CSRDMJNINTYLFG-UHFFFAOYSA-N 290.171 3.889 0 40 CHAB CSCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 30993254 JBMQTJFZODEZFD-UHFFFAOYSA-N 283.396 3.949 0 40 CHAB COC1CCC(C2=N[C@H]3CCCC[C@@H]3SC2)CC1 31949054 GXBXXGBYRZEHJT-DVTFPSANSA-N 267.438 3.691 0 40 CHAB Cc1ccc(-c2cc(CNC(=O)c3ccccc3)on2)cc1 32926413 BXOISHUADWUZPY-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)CCc1ccco1 32978652 ZEPIZCUDJRTXNL-UHFFFAOYSA-N 269.344 3.500 0 40 CHAB Cc1nc(NC(=O)CCCc2cccs2)sc1C 36063000 WARPCFHIUJAEMU-UHFFFAOYSA-N 280.418 3.783 0 40 CHAB COc1ccc(F)cc1[C@H](C)NCc1cccs1 37089767 QNXXGCIJGSGOJK-JTQLQIEISA-N 265.353 3.747 0 40 CHAB O=C(c1cccc(F)c1F)c1cncc2ccccc12 45028909 JODGXSJRXNNULN-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB Clc1nc(Cc2ccc(Br)cc2)ns1 47218895 LEYCYYNCIIEIHN-UHFFFAOYSA-N 289.585 3.545 0 40 CHAB in-vitro C[C@H]1C[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 49497021 DYXUCFBSRUIVBS-GZMMTYOYSA-N 272.373 3.768 0 40 CHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCC(C)C)c1 52413683 MGYGWMMZRYCDOT-AWEZNQCLSA-N 277.408 3.658 0 40 CHAB Fc1nc(Cl)c(C(F)(F)F)c(F)c1Cl 68591098 UEIIZWUEAQHUOI-UHFFFAOYSA-N 251.969 3.685 0 40 CHAB CCN(CC)CCNc1nc2c(Cl)cccc2s1 70697645 PIGNKTWHLBTDBT-UHFFFAOYSA-N 283.828 3.703 0 40 CHAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](C)C(C)C)n1 72281661 HQNWWKQKOXTPCT-STQMWFEESA-N 280.437 3.797 0 40 CHAB O=C(C1CC=CC1)N1C[C@H]2CCCC[C@]21c1ccccc1 89827755 WASCVALTHPQRBA-MJGOQNOKSA-N 281.399 3.881 0 40 CHAB CC[C@H](C)[C@H](C)NCc1nc(-c2cccc(C)c2)no1 95462642 NPYGPEOXFQQELY-STQMWFEESA-N 273.380 3.569 0 40 CHAB C[C@@]12CC3CC(NCc4ccccn4)(C1)C[C@@](C)(C3)C2 100644482 LUSZWADSAYVKKZ-YCHGYYGWSA-N 270.420 3.920 0 40 CHAB Cc1sc(-c2ccccc2C(F)(F)F)nc1C(=O)O 137165749 MDQUIJTUUYWXSZ-UHFFFAOYSA-N 287.262 3.836 0 40 CHAB Oc1nc([C@@H]2CCC(F)(F)C2)nc2ccc(Cl)cc12 253535117 NMHWOPQQRWBCQI-SSDOTTSWSA-N 284.693 3.892 0 40 CHAB CC(C)c1ccc(NC(=O)CN2Cc3ccccc3C2)cc1 409207746 YYVXRSHUPCDOHY-UHFFFAOYSA-N 294.398 3.764 0 40 CHAB O=C(Nc1nc(=S)ss1)c1ccc(Cl)cc1 238387 VZAYQLZISZPNJY-UHFFFAOYSA-N 288.806 3.840 0 40 CHAB Cc1ccccc1-c1nc2sc3c(c2c(=O)o1)CCC3 349911 FWCWAROYBYYKRO-UHFFFAOYSA-N 283.352 3.714 0 40 CHAB c1ccc(C[n+]2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 405532 KKNQYCKHPHVGFZ-UHFFFAOYSA-O 286.358 3.566 0 40 CHAB c1ccc(Oc2nnc3c4ccccc4ccn23)cc1 1702916 SFHLSHFCSRQRST-UHFFFAOYSA-N 261.284 3.675 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC2=O 4074120 DKVSUQWCZQBWCP-KWWJQKEASA-N 282.383 3.639 0 40 CHAB biogenic CC(C)c1ccccc1OCC(=O)Nc1cccc(F)c1 5414219 LSIUNKOTCSRCNU-UHFFFAOYSA-N 287.334 3.967 0 40 CHAB CCc1sc(C(=O)Nc2ccc(OC)cc2)cc1C 5559944 RYVGSOOHSOJUOE-UHFFFAOYSA-N 275.373 3.880 0 40 CHAB Cc1noc(C)c1C(=O)Oc1ccc(Cl)c(Cl)c1 6377960 MQUUKARRKJLVAJ-UHFFFAOYSA-N 286.114 3.817 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccccc2O)c(C)c1 10633591 RHBPXELUUVSUDK-UHFFFAOYSA-N 269.344 3.580 0 40 CHAB COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1C 12728907 XNHCJVKYSMTWLK-UHFFFAOYSA-N 296.326 3.706 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2ccn(-c3ccccc3)n2)c1 12910526 QTECGAZOIBXFSY-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccco1 14199577 ZGFAHZMIZXTULI-UHFFFAOYSA-N 299.326 3.964 0 40 CHAB O=C(c1ccccc1F)N1CCCSc2ccccc21 15516793 PZEZLGKEQWQUBL-UHFFFAOYSA-N 287.359 3.968 0 40 CHAB Cc1ccccc1OCc1nc2c(C)cccc2[nH]1 16902407 CMRMWVXNBVHAIO-UHFFFAOYSA-N 252.317 3.759 0 40 CHAB O=C(O)/C=C\c1csc(-c2ccc(Cl)cc2)n1 17109188 BICYJZAZESUKND-WAYWQWQTSA-N 265.721 3.561 0 40 CHAB CCOc1ccccc1-c1nc2ccc(C)cc2[nH]1 19794060 IFXDRSHCXDPEKQ-UHFFFAOYSA-N 252.317 3.937 0 40 CHAB Cc1cccc(C)c1NC(=O)c1ccnc(Cl)c1 19813548 CMHLTNPWEJKQOD-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CCCCCCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 20136681 MBQOVLFGXAXNSU-UHFFFAOYSA-N 283.755 3.947 0 40 CHAB CCn1cc(-c2cc(C(F)F)c3c(C)noc3n2)c(C)n1 20605110 JLEAIUFZKCNSPE-UHFFFAOYSA-N 292.289 3.661 0 40 CHAB CC(C)=CC(=O)N[C@H](C)c1ccc(Br)cc1 22833344 YDQHFOPDMNEMIM-SNVBAGLBSA-N 282.181 3.593 0 40 CHAB CCc1cc2c(CNc3ccccc3)cc(=O)oc2cc1O 24045692 QPPLSVZAEVOUNG-UHFFFAOYSA-N 295.338 3.673 0 40 CHAB Cc1cccc(C)c1NCc1nc(-c2ccco2)no1 25616203 AKTUSHVTYBLABT-UHFFFAOYSA-N 269.304 3.559 0 40 CHAB Clc1ccc2nc(NC[C@H]3CCCO3)sc2c1 26423910 LAGCRDODIZKAKV-SECBINFHSA-N 268.769 3.541 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)n1C 31245647 GNHBVBJXUNHJAF-UHFFFAOYSA-N 298.386 3.907 0 40 CHAB Nc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 35697073 YHBFTKZEVSFOOC-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CCc1ccccc1NC(=O)NC1CCC(C)CC1 40103451 MEEGOZRLTVEJAC-UHFFFAOYSA-N 260.381 3.949 0 40 CHAB Cc1ccc2nc(CN(Cc3cccs3)C3CC3)cn2c1 45915460 SZORPLSOPNPMTB-UHFFFAOYSA-N 297.427 3.869 0 40 CHAB CCN(C(=O)Nc1ccc(Cl)nc1)[C@H](C)C(C)C 49395624 JJDMKNHRLFPUDI-SNVBAGLBSA-N 269.776 3.633 0 40 CHAB O=C(CC1CCCCC1)N(Cc1ccncc1)C1CC1 50822273 FARFGQBDAFAFCI-UHFFFAOYSA-N 272.392 3.543 0 40 CHAB CCCNc1ncc(CNC2CCCCCCC2)cn1 62717705 RRWCVWHYTOHJQW-UHFFFAOYSA-N 276.428 3.501 0 40 CHAB CCCCCn1c(SCC)nc2ccccc2c1=O 67258983 WUCHVQYEVQOLSA-UHFFFAOYSA-N 276.405 3.699 0 40 CHAB Cc1noc([C@H](C)Sc2ccc(F)c(F)c2)n1 69326864 BLMCLJSXZBSIEV-LURJTMIESA-N 256.277 3.510 0 40 CHAB CC[C@H](C)C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 69370820 OFBZSSPYVHDSBY-LBPRGKRZSA-N 295.810 3.508 0 40 CHAB c1ccc(C(OC[C@@H]2CCCNC2)c2ccccc2)cc1 71256388 RFAADNHELHYGFE-MRXNPFEDSA-N 281.399 3.792 0 40 CHAB Fc1ccc(-c2ccn(Cc3cccc(F)c3)n2)cc1 72079558 NZKBXMJIDHQJPG-UHFFFAOYSA-N 270.282 3.877 0 40 CHAB Cc1cccnc1[C@H]1CCCN1Cc1ccccc1 72211122 ASHBIZXTLZJOPU-MRXNPFEDSA-N 252.361 3.727 0 40 CHAB COc1ccc2cc(Br)ccc2c1C 72220776 SUJMWZOKVNXBLD-UHFFFAOYSA-N 251.123 3.919 0 40 CHAB CCS[C@@H]1CC[C@H](NC(=O)Nc2cccnc2Cl)C1 75541433 UHYRHLFBFLJEFD-VHSXEESVSA-N 299.827 3.531 0 40 CHAB Cc1cc(N2CCN(C3CCCC3)CC2)c2ccccc2n1 89583042 ATKUQASVEOCMPX-UHFFFAOYSA-N 295.430 3.608 0 40 CHAB CCN(Cc1ccncc1)c1cccc(Br)c1 95915542 OWFDJHVLEJVJQU-UHFFFAOYSA-N 291.192 3.871 0 40 CHAB C[C@@H](NC1CCSCC1)c1cccc(N2CCCC2)c1 96479263 XEXCYCCZASUCCH-CQSZACIVSA-N 290.476 3.833 0 40 CHAB COc1ccc([C@H](NCc2nc(C)c(C)o2)C(C)C)cc1 97033041 YAMSYGGGYCWRRI-QGZVFWFLSA-N 288.391 3.787 0 40 CHAB O=C(c1ncoc1-c1cccs1)N1CCCCCCC1 98009535 CFUYRRDARIHLTA-UHFFFAOYSA-N 290.388 3.809 0 40 CHAB Clc1ccc(C2OCC3(CO2)C[C@@H]2C=C[C@@H]3C2)cc1 100350558 DBIXZVCGKNOYQF-UYSYKMHKSA-N 276.763 3.968 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1ccccc1)C2 100670342 NTWLHHBGBISWLH-CKEIUWERSA-N 257.377 3.631 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)c(F)c1F 102316318 LKZIMGKGLPPHDV-GUBZILKMSA-N 283.293 3.869 0 40 CHAB COc1ccc(/C=C(\C)c2cnccn2)c(Cl)c1OC 187648857 WMLOGDMNUVFYBM-CSKARUKUSA-N 290.750 3.708 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)Cc1ccc(C)cc1C 222740404 FQKZWQQAJUFUEK-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C(=O)O)cc21 223777915 MRLZANUXUAMJNP-MRVPVSSYSA-N 267.756 3.760 0 40 CHAB CCc1ccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1 225042940 QBACNSXQPVPSFH-GOSISDBHSA-N 298.382 3.941 0 40 CHAB CC[C@H](C)Oc1ccccc1[C@H](C)NCCCOC 225161763 RVPYOISYUKKLEQ-KBPBESRZSA-N 265.397 3.551 0 40 CHAB O=C(NCc1ccno1)c1ccc(C2CCCCC2)cc1 331869327 MIDCSOQYAKYMLL-UHFFFAOYSA-N 284.359 3.652 0 40 CHAB CCc1ccc(-n2c(C)nnc2Sc2ccccn2)cc1 409088280 KSJFOESLHACTCD-UHFFFAOYSA-N 296.399 3.684 0 40 CHAB O=C(c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 364434 VYBCFIHEZLOBMF-UHFFFAOYSA-N 291.306 3.763 0 40 CHAB CCOc1ccc([C@H](O)c2nc3ccccc3n2CC)cc1 502470 DXZSNADZTIYAFE-KRWDZBQOSA-N 296.370 3.537 0 40 CHAB C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 508162 DWALGFCPTNJCMB-JTQLQIEISA-N 299.761 3.707 0 40 CHAB CC[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 1456494 GXTSWWDMSKFFDF-AWEZNQCLSA-N 267.372 3.938 0 40 CHAB CCc1cc(C(=O)Cc2ccccc2Cl)c(O)cc1O 1463785 NTBABEJKGSDXRD-UHFFFAOYSA-N 290.746 3.739 0 40 CHAB biogenic COc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1 1722353 FCOUPXKPTIHONH-UHFFFAOYSA-N 272.735 3.816 0 40 CHAB CC(C)CC[C@@H](CC(=O)O)[C@@H]1CCOC(C)(C)C1 2159733 CGFDHQZQOJIQDO-QWHCGFSZSA-N 256.386 3.719 0 40 CHAB biogenic CCCC[C@H](CCC(=O)Nc1ccccc1Cl)C(=O)O 2326634 LUKOFTMSHBKEOI-LLVKDONJSA-N 297.782 3.950 0 40 CHAB Cc1cc(NC(=O)CSc2ccc3ccccc3c2)no1 3229449 BBXRMYRMSRLARV-UHFFFAOYSA-N 298.367 3.867 0 40 CHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1 3420171 WEYCLDTYPAPAIM-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB COc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@H](c1ccco1)N2 3999772 ZAYPLRCYKMEKKL-LYRGGWFBSA-N 271.316 3.533 0 40 CHAB FC(F)(F)c1cc(NC2CCNCC2)ccc1Cl 4312838 ZRBWLTRPLYOSKZ-UHFFFAOYSA-N 278.705 3.523 0 40 CHAB Cc1ccc(Cl)cc1OCc1nnc2n1CCCCC2 4518195 JZDYNJBKCWJKQR-UHFFFAOYSA-N 291.782 3.545 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 4613864 KQIKUEMEPOYEBC-IPELMVKDSA-N 293.410 3.928 0 40 CHAB Cc1ccc(S(=O)(=O)C(C#N)=Cc2ccccc2C)cc1 6009364 CVDOJXVAKGXKEJ-UHFFFAOYSA-N 297.379 3.642 0 40 CHAB Cn1c([C@@H]2CC[C@](C)(C(=O)O)C2(C)C)nc2ccccc21 6388297 ZDWSEERXYLZOGE-APPDUMDISA-N 286.375 3.568 0 40 CHAB COc1ccc(C)c(NC(=O)c2ccc(C)cc2)c1 6426620 TVCNQXRMHSKATF-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB O=C(NC(=S)c1ccccc1)Nc1ccccc1Cl 6529220 ZMXSPLPXPYLHNW-UHFFFAOYSA-N 290.775 3.837 0 40 CHAB COc1cc(C/C=C\c2ccccc2)c(OC)cc1O 8681807 MGFYJNMOZGSGMU-TWGQIWQCSA-N 270.328 3.665 0 40 CHAB Clc1ccccc1CNc1ncnc2ccsc12 8704794 VTICZAXNHXNUDO-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1 8751378 DTDKKPLUVGIJDN-UHFFFAOYSA-N 292.338 3.913 0 40 CHAB Cc1cc(S[C@H]2C[C@@H](C)OC2=O)nc2c(C)cccc12 8945628 CACQTYWHCRMUNI-YPMHNXCESA-N 287.384 3.648 0 40 CHAB Cc1ccccc1/C=C/C(=O)N1CCc2sccc2C1 10923317 ABEDGRWDPRNVTI-VOTSOKGWSA-N 283.396 3.655 0 40 CHAB COc1ccc(CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 11203594 RJNZOESPDAXSSS-LJQANCHMSA-N 295.382 3.505 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2ncnc3c2oc2ccccc23)C1 12614818 RWDOVQVCAOWQNK-TXEJJXNPSA-N 281.359 3.858 0 40 CHAB Cc1ccc(O)c(-c2cc(-c3cccc(F)c3)[nH]n2)c1 13126653 ZLOZEHOWNJRPHU-UHFFFAOYSA-N 268.291 3.897 0 40 CHAB Cc1nc2cc(-c3cccc(F)c3)nn2c(Cl)c1C 13562627 LZRJGQNDRBVTRN-UHFFFAOYSA-N 275.714 3.806 0 40 CHAB Clc1ccccc1OCc1nc(-c2ccccc2)no1 13921223 RCUPSVKERMLLMX-UHFFFAOYSA-N 286.718 3.969 0 40 CHAB Nc1ccc(Oc2ccc(F)c(F)c2)c(Cl)c1 14630103 SLRIPXPOBGGHON-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB CCN1C(=O)[C@@H](Cc2ccccc2F)c2ccccc21 15018234 VYWUGEGQORFNPZ-AWEZNQCLSA-N 269.319 3.519 0 40 CHAB CCOc1cccc(NCCOc2cccc(C)c2)c1 19738379 KPEZDGFMEKKMRQ-UHFFFAOYSA-N 271.360 3.885 0 40 CHAB COc1ccccc1-c1cc(C(F)F)c2cnn(C)c2n1 20603018 XCYKECRGMCGYCN-UHFFFAOYSA-N 289.285 3.582 0 40 CHAB CN1c2ccccc2C(=O)N[C@@H]1c1cccc2ccccc12 21360643 DEGQPCRRWNVVES-SFHVURJKSA-N 288.350 3.718 0 40 CHAB CCc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1 22743777 BKLSQKVRMBZYOK-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB COC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12 26895882 IASVXJHDAWPZFM-UHFFFAOYSA-N 281.311 3.534 0 40 CHAB CCOc1cccc(CNCCCc2ccccc2)c1 32117397 LQBFSATWLDTKPM-UHFFFAOYSA-N 269.388 3.808 0 40 CHAB O[C@H]1CCCc2c(OCCCOc3ccccc3)cccc21 32741501 ZFZUBFKJXMVYAY-SFHVURJKSA-N 298.382 3.904 0 40 CHAB COC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2C)c1 55513771 PFXVUHQOHCSUBG-UHFFFAOYSA-N 298.342 3.734 0 40 CHAB Cc1ccc(-c2noc(CNc3ccc(F)cc3)n2)cc1 66696818 ANDBWMFFLPBYIQ-UHFFFAOYSA-N 283.306 3.796 0 40 CHAB CC[C@@H]1CCC[C@H](N[C@@H](CC(=O)OC)c2cccs2)C1 71113939 ODYLXWLXXMGZFM-RDBSUJKOSA-N 295.448 3.911 0 40 CHAB Cc1n[nH]cc1CN[C@H](c1ccccc1)C1CCCC1 71837237 RCXSZBZXPJCSBY-QGZVFWFLSA-N 269.392 3.739 0 40 CHAB CNc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72212564 YFLCGDGCSSHUTN-CYBMUJFWSA-N 291.395 3.585 0 40 CHAB Cc1cc([C@@H](O)c2ccccc2)cnc1N1CCCCCC1 72222489 QVQWBXYKNHNBJK-SFHVURJKSA-N 296.414 3.852 0 40 CHAB Cc1nc(SC2CCCCC2)ccc1[C@@H](C)O 72224878 VVUFVOVXOFEXOY-LLVKDONJSA-N 251.395 3.868 0 40 CHAB CCn1ncc2c1CCC[C@@H]2NCc1cccc(Cl)c1 72298483 UJJLSEIGQSYKBC-HNNXBMFYSA-N 289.810 3.724 0 40 CHAB COc1ccccc1-c1cccc([C@H]2CCCN(C)C2)n1 72348555 VUHCJFPZTHNUJI-AWEZNQCLSA-N 282.387 3.566 0 40 CHAB CC(C)N1CCC[C@@H]1c1cccc(NCc2ccncc2)n1 72364980 VYIFJYDUAXLIML-QGZVFWFLSA-N 296.418 3.634 0 40 CHAB Fc1ccc(C=C(Br)Br)cc1 75421017 VYVSCVFABZOIEF-UHFFFAOYSA-N 279.934 3.914 0 40 CHAB Cc1cnc(CCNCc2cc(C)c(C)cc2C)s1 76897207 LQIHRCOJSDTGMS-UHFFFAOYSA-N 274.433 3.709 0 40 CHAB Br/C=C(/Br)c1ccccc1 83252739 PBTWQCPURDEMRQ-SOFGYWHQSA-N 261.944 3.775 0 40 CHAB COc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695270 XPZGNWPZJMYZAT-UHFFFAOYSA-N 296.292 3.842 0 40 CHAB Cc1cc(C(F)(F)F)cc(-c2cccc(C(=O)O)c2)n1 91695635 HAXVMOMSTHKFHV-UHFFFAOYSA-N 281.233 3.774 0 40 CHAB C[S@@](=O)Cc1cccc(N[C@H]2CCC[C@H](C3CC3)C2)c1 92170675 JZUJXHILRZARIQ-KNBMTAEXSA-N 291.460 3.946 0 40 CHAB CC(C)(C)C(=O)Nc1ccc2cccc(Cl)c2n1 95468467 LUNXIQZMFIJHPZ-UHFFFAOYSA-N 262.740 3.873 0 40 CHAB Cc1c(F)cccc1[C@@H](O)c1ccccc1Br 95730153 SMYNNIASFZSFNW-CQSZACIVSA-N 295.151 3.978 0 40 CHAB O=C(OC1CCCCCCC1)c1ccnc(-n2ccnc2)c1 95942849 VMRWNAGQFDQDAE-UHFFFAOYSA-N 299.374 3.537 0 40 CHAB CCOc1ccc(CNc2nc3ccccc3o2)cc1 95955411 JQJMDRUVVQXYTQ-UHFFFAOYSA-N 268.316 3.839 0 40 CHAB CCSc1ccccc1OCc1nnc(C2CC2)o1 95974625 HEKVOLIQQIGJEH-UHFFFAOYSA-N 276.361 3.638 0 40 CHAB CCn1c2ccc(C(C)(C)C)cc2c2nnc(S)nc21 96319320 IFRTZSZXKNHYKM-UHFFFAOYSA-N 286.404 3.586 0 40 CHAB FC(F)(F)CCc1ccccc1NCc1ncc[nH]1 96461933 UNEIPMZKUKCNDV-UHFFFAOYSA-N 269.270 3.517 0 40 CHAB O=C(O)c1oc2ccccc2c1OCc1ccccc1 96510811 MUTQIDYRDJUSQN-UHFFFAOYSA-N 268.268 3.710 0 40 CHAB C[C@H]1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 98018467 YBPIJJVEHUEBRJ-NSHDSACASA-N 292.354 3.631 0 40 CHAB CCc1cc(O)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 100163324 ROTPSYIQLSESMS-UHFFFAOYSA-N 287.750 3.626 0 40 CHAB CCc1cccc2cc(CNCc3cccs3)c(O)nc12 257282872 OVQALVUPBCLQFQ-UHFFFAOYSA-N 298.411 3.854 0 40 CHAB C=COc1ccc(N2C(=O)c3ccccc3O[C@H]2C)cc1 114261 BZUYPJOBFYMJER-LBPRGKRZSA-N 281.311 3.594 0 40 CHAB CCOc1ccc(C(=O)c2ccc(F)c(F)c2)cc1 37357781 ARGUFJDNURBBQQ-UHFFFAOYSA-N 262.255 3.595 0 40 CHAB COc1cc2c(cc1OC)C(=O)Cc1ccccc1S2 347352 JZLDJWGUENCPFU-UHFFFAOYSA-N 286.352 3.594 0 40 CHAB Cc1ccc(NC(=O)CSc2ccccc2N)cc1C 875221 FLECSWONIMPMIV-UHFFFAOYSA-N 286.400 3.616 0 40 CHAB COc1ccc(Cc2nc3ccccc3s2)cc1OC 1851299 LZFWKZBQKFRXPM-UHFFFAOYSA-N 285.368 3.904 0 40 CHAB O=C1CCCCCCCCCOCCCCCO1 4026039 MKEIDVFLAWJKMY-UHFFFAOYSA-N 256.386 3.851 0 40 CHAB biogenic C[C@H]1CCc2cc(F)ccc2N1C(=O)COc1ccccc1 994603 XXIALHVNXKYEOR-ZDUSSCGKSA-N 299.345 3.572 0 40 CHAB C[C@H]1CCC[C@H](C)N1NC(=S)Nc1ccc(Cl)cc1 6853250 XMUIYCPNQCJWIG-QWRGUYRKSA-N 297.855 3.804 0 40 CHAB Cc1cc(N/C=C\C(=O)c2cccc3ccccc23)on1 6922304 WHCVTTWHOWGMEI-KTKRTIGZSA-N 278.311 3.945 0 40 CHAB C[C@@H](NC(=O)c1cccnc1)c1cccc(C(F)(F)F)c1 23547153 GOIAAICSXGSHSH-SNVBAGLBSA-N 294.276 3.591 0 40 CHAB Fc1cnc(Cl)nc1Oc1ccc(Cl)cc1 85754764 ZIECCDVVIPKKRI-UHFFFAOYSA-N 259.067 3.715 0 40 CHAB CCc1ccc(N[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 57570569 HHSLEIRRODAMKA-HNNXBMFYSA-N 296.414 3.708 0 40 CHAB Cc1ccc(-c2nnc(CN(C)c3ccccc3)o2)cc1 25911220 DGRNOXZSPOOQAC-UHFFFAOYSA-N 279.343 3.681 0 40 CHAB CC12C[C@@H]3C[C@@H](C1)CC(NC(=O)c1cccs1)(C3)C2 101375777 SZQKRTAOHLGCSY-RBAVJSINSA-N 275.417 3.837 0 40 CHAB O=C(COC(=O)c1c(F)cccc1Cl)c1ccccc1 3341766 CMMUVULIWWPDBR-UHFFFAOYSA-N 292.693 3.519 0 40 CHAB CCCC[C@@H](CCC(=O)Nc1ccccc1C)C(=O)O 26807748 KLBDGGVNKHAZSD-ZDUSSCGKSA-N 277.364 3.605 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC2CCCCC2)c1 20488833 WZRSRCSJJFYTOI-HNNXBMFYSA-N 289.419 3.828 0 40 CHAB Cc1c(Cl)cc(I)cc1Cl 59997186 RIQUEWZYAUZWRN-UHFFFAOYSA-N 286.927 3.906 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCC(C)CC2)c1 20453412 JAIPXEGHFSLNGX-INIZCTEOSA-N 289.419 3.638 0 40 CHAB COc1ccccc1NC(=O)c1cc2cc(C)ccc2[nH]1 29641365 LPDIFPNRYZOGSX-UHFFFAOYSA-N 280.327 3.737 0 40 CHAB C[C@@H](Oc1ccccc1C(N)=O)c1ccccc1Cl 14124116 WFCHKCKBHAMAMW-SNVBAGLBSA-N 275.735 3.579 0 40 CHAB Cc1ccc(C2(N)CCCCC2)c(Br)c1 71599597 YZWBTNNKEFYWJM-UHFFFAOYSA-N 268.198 3.876 0 40 CHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCCCCC1 6882320 JLIFWPGIJMURQD-LBPRGKRZSA-N 280.799 3.543 0 40 CHAB Cc1cc(C(=O)CSc2ncccc2Cl)c(C)[nH]1 25149361 ARRBACGPLLIJDV-UHFFFAOYSA-N 280.780 3.655 0 40 CHAB CCSc1ccc(C(=O)N(C)c2ccccc2F)cn1 68675499 VPYMVNURJSLZDR-UHFFFAOYSA-N 290.363 3.609 0 40 CHAB Cc1ccc(C(=O)CCC(=O)NCc2ccccc2)cc1C 7916420 KKNITYFECUDOPK-UHFFFAOYSA-N 295.382 3.583 0 40 CHAB Cc1ccc(SCCN[C@@H](C)c2cnccn2)cc1C 95419246 WYWZGLBRUVPOJK-AWEZNQCLSA-N 287.432 3.536 0 40 CHAB CCc1noc(CS[C@@H](C)c2cccs2)n1 71915141 XZKZUDSXZNAKOD-QMMMGPOBSA-N 254.380 3.688 0 40 CHAB CC(C)CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 17172524 IEDFFKUOVRNYRM-UHFFFAOYSA-N 297.402 3.526 0 40 CHAB CC(C)NC(=O)c1ccccc1Nc1ccccc1 17300526 IJMOUNHRBNWEMH-UHFFFAOYSA-N 254.333 3.568 0 40 CHAB COc1ccccc1N/C(C)=C\C(=O)Nc1ccccc1 72333479 GXEBQOHGHOYXIW-SEYXRHQNSA-N 282.343 3.650 0 40 CHAB Clc1ncc(Br)c(Cl)c1Cl 71254747 GMRXCEKFVWKPDN-UHFFFAOYSA-N 261.333 3.804 0 40 CHAB COc1ccc(CC(=O)c2cc(F)c(F)c(F)c2)cc1 63007442 PPSJSLXCCBQHED-UHFFFAOYSA-N 280.245 3.538 0 40 CHAB CCCCN1CCC[C@@H]1c1cccnc1NC1CC1 72213723 RDIAZRXASJIBCR-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB CCCCCn1nc(Br)c2ccccc21 72220007 XTVVZQFOJLBZEQ-UHFFFAOYSA-N 267.170 3.989 0 40 CHAB Cc1nc(SC2CCCCC2)ccc1[C@@H](C)N 72224884 SSOCZGIOLKAEEP-SNVBAGLBSA-N 250.411 3.835 0 40 CHAB Oc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72212274 QQZUJZSQCHLLLV-MRXNPFEDSA-N 268.360 3.514 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCC1=CCCCC1 224436205 UGVZAEOWXBHLEJ-QGZVFWFLSA-N 287.403 3.769 0 40 CHAB C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1C2 225421000 UIBTWBKUPSLIJQ-LNTSPLOQSA-N 275.436 3.754 0 40 CHAB Cc1c(Cl)cc(Br)c2cccnc12 197072402 QSWQHIHCBYTLKA-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB Cc1ccnc(NCc2cccc(Br)c2)c1 42244017 IXCYTINQJPTKIG-UHFFFAOYSA-N 277.165 3.765 0 40 CHAB CC[C@H](C(=O)OC)N1c2ccc(C)cc2C(C)=CC1(C)C 223198971 QYFBZYBAWCIVEV-OAHLLOKOSA-N 287.403 3.949 0 40 CHAB Cc1nn(CC(C)C)cc1NCCc1ccccc1 256050754 GJALCZVXNNMDLS-UHFFFAOYSA-N 257.381 3.502 0 40 CHAB Cc1c[nH]c([C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)n1 257303458 SHIKPNBTUMSCHW-AWEZNQCLSA-N 294.402 3.579 0 40 CHAB CCOC(=O)c1ccc(Nc2ccc(Cl)cc2)c(N)c1 41081446 KROUKXUMQKVZKB-UHFFFAOYSA-N 290.750 3.843 0 40 CHAB CCSc1ccccc1NCc1nnc(C2CC2)o1 86202121 MIDDFHPTIQCPEO-UHFFFAOYSA-N 275.377 3.671 0 40 CHAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC1CCCC1 20490181 GUWFSNJWFUTBEV-ZDUSSCGKSA-N 275.392 3.636 0 40 CHAB C[C@]12CC[C@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@@H]3[C@@H]1CC[C@@H]2O 5276673 RHVBIEJVJWNXBU-SLRVXIGRSA-N 276.420 3.569 0 40 CHAB Cc1ccc(C(=O)CSc2nc3ccccc3[nH]2)c(O)c1 5641531 USPWUVWMKHMIKI-UHFFFAOYSA-N 298.367 3.552 0 40 CHAB COc1ccc(CCNCc2ccc3[nH]ccc3c2)cc1 15424181 JJXZMRPKHTYSCS-UHFFFAOYSA-N 280.371 3.509 0 40 CHAB O=C(O)c1c(Cl)nsc1-c1ccccc1Cl 162058 CKJSRXLZLGBAFD-UHFFFAOYSA-N 274.128 3.815 0 40 CHAB COc1cc2nc(C(F)(F)F)[nH]c2cc1C(F)(F)F 219951136 AOMKVRAOWMUQDY-UHFFFAOYSA-N 284.159 3.609 0 40 CHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3CC2CCCC2)c1 1889078521 OPIZZRVNDUSEMT-SJPCQFCGSA-N 273.424 3.550 0 40 CHAB COc1ccc(NP2(=O)Oc3ccccc3O2)cc1 6793676 KFVUBZCVDRRFDZ-UHFFFAOYSA-N 277.216 3.687 0 40 CHAB O=C(Nc1ccccc1Cl)N1CCCCCC1 40460206 ZJDHKUXCQRTQNU-UHFFFAOYSA-N 252.745 3.748 0 40 CHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)C1CCCC1 40512131 DDRVALWEDZYPOB-UHFFFAOYSA-N 287.388 3.664 0 40 CHAB Cc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)cc1 566891 XXKQGIJUYANXFT-UHFFFAOYSA-N 280.776 3.622 0 40 CHAB CCc1ccccc1OCC(=O)Oc1ccccc1C 131299 DXOJDQUSTRDITN-UHFFFAOYSA-N 270.328 3.542 0 40 CHAB Cc1ccc(NCc2nc(-c3ccc(C)cc3)no2)cc1 203385 XAGSZSPGHXRYLN-UHFFFAOYSA-N 279.343 3.966 0 40 CHAB Cc1ccc(NC(=O)COc2cccc3ccccc23)nc1 364034 NESALMUTLQZTPE-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB CNc1cc2c(cc1Br)-c1ccccc1C2=O 1694584 CZIGPUSHPQBNLR-UHFFFAOYSA-N 288.144 3.702 0 40 CHAB O=P1(Nc2ccc(Br)cc2)CC=CC1 2697252 BDUIOAJYZPTYGB-UHFFFAOYSA-N 272.082 3.709 0 40 CHAB Cn1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)n1 2774995 SGIAKUFHWMJIOB-UHFFFAOYSA-N 289.423 3.528 0 40 CHAB O=C(O)c1ccccc1CSc1nc2ccccc2[nH]1 3366270 OSEDENJNARMLNG-UHFFFAOYSA-N 284.340 3.553 0 40 CHAB Cc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)cn2)cc1 3942685 NPDLTEZXGWRMLQ-IBGZPJMESA-N 294.398 3.530 0 40 CHAB in-man O[C@@H](c1ccc(F)cc1)c1cc(F)cc(Cl)c1 4242379 MCFOQYSIECOGID-ZDUSSCGKSA-N 254.663 3.700 0 40 CHAB Cc1ccnc(NC(=O)c2cc(Cl)ccc2Cl)c1 5337929 FPWYIXGHMUVEJN-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB Cc1ccnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 6669412 JSRZMMMWCQBPKU-UHFFFAOYSA-N 279.343 3.740 0 40 CHAB Cc1ccc(CNC(=O)C(C)(C)c2ccccc2)cc1 7670939 KYLAZNIYCGCYLO-UHFFFAOYSA-N 267.372 3.589 0 40 CHAB Cc1cccnc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 9339378 YAGJUPAUKZBXQD-STQMWFEESA-N 286.762 3.786 0 40 CHAB Cc1cccc(C)c1NC(=O)CNc1cc(F)ccc1F 11621816 PRSQSRSCPVHYNI-UHFFFAOYSA-N 290.313 3.632 0 40 CHAB Cc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1C 12556093 YMLZUEISZIAQLV-SFHVURJKSA-N 294.398 3.735 0 40 CHAB Cc1ccc(Nc2nc(Cl)cc(Cl)n2)cc1 12797807 BNLPKADSGVTPMZ-UHFFFAOYSA-N 254.120 3.835 0 40 CHAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1F 12809383 NNXOELVSDKWZIA-ZYHUDNBSSA-N 289.272 3.677 0 40 CHAB CCCCCNC(=S)Nc1ccc(OCC)cc1 13818940 PXVUVJUIKBJWAX-UHFFFAOYSA-N 266.410 3.562 0 40 CHAB CCCOc1ccccc1C(=O)Nc1ccccc1OC 14036517 XODZQNDVXNPWQN-UHFFFAOYSA-N 285.343 3.736 0 40 CHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)C1CC1 14114397 MSZORFXMJAIYKY-UHFFFAOYSA-N 284.793 3.874 0 40 CHAB CCOc1ccc2[nH]c(COc3cccc(OC)c3)nc2c1 16903848 NMNHMQCAOIXKMA-UHFFFAOYSA-N 298.342 3.549 0 40 CHAB CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccc(OC)cc1 21836397 GEOIBTREVPHXNO-QGZVFWFLSA-N 299.370 3.585 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1C 22560754 NNOROOBPAZEYBL-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1ccccc1NCCC(=O)NCCC1=CCCCC1 24927271 BZZOYFMVWGOBJZ-UHFFFAOYSA-N 286.419 3.804 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccc(Cl)cn2)cc1 26089009 PUHHTLVRMAHBDT-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB Cc1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1 32814551 OBJPQTXAQKDMDT-OAHLLOKOSA-N 282.343 3.640 0 40 CHAB CC(C)(C(=O)Nc1ccccc1F)c1ccccc1 36048024 QJGWHKIIVLGETB-UHFFFAOYSA-N 257.308 3.742 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 38145859 QGXBDMJGAMFCBF-DNKQKWOHSA-N 290.447 3.959 0 40 CHAB COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1Cl 39389480 RVVAYDHIVLCPBC-MRVPVSSYSA-N 264.708 3.690 0 40 CHAB Cn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2ccccc21 40312762 JUMIYHHVTGXXEI-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccsc1 40536021 QASKXFWHZVTDLO-UHFFFAOYSA-N 297.339 3.583 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(F)c2)C1 43324206 WTTNFFBBCOZNCL-AWEZNQCLSA-N 294.370 3.637 0 40 CHAB CCCCOCc1ccc(Br)cc1F 49601169 DRVKOKDXFRBMIA-UHFFFAOYSA-N 261.134 3.905 0 40 CHAB CN1C(=O)Cc2cc(-c3csc(C(C)(C)C)n3)ccc21 55049364 JOCZESRHTSJLAQ-UHFFFAOYSA-N 286.400 3.627 0 40 CHAB N[C@H]1C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 70453057 GWTLKBGRQVGFTJ-MNOVXSKESA-N 267.250 3.780 0 40 CHAB CC(C)(C)N1Cc2ccc3c(c2C1)CN(C(C)(C)C)C3 71256551 XBVLQMVMFSPGES-UHFFFAOYSA-N 272.436 3.915 0 40 CHAB Cc1ccccc1CSc1nsc(Cl)n1 71980818 GXSJWHJHRNZLGY-UHFFFAOYSA-N 256.783 3.792 0 40 CHAB CCSc1ccc([C@H]2CCCN2CC(C)C)cn1 72217125 XIGWRLFXWBMVER-CQSZACIVSA-N 264.438 3.987 0 40 CHAB C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccncc2)C1 75503158 XWSJZDZOLQIGBW-BLLLJJGKSA-N 299.349 3.836 0 40 CHAB CCS[C@H]1CC[C@@H](NC(=O)Nc2cccnc2Cl)C1 75541442 UHYRHLFBFLJEFD-ZJUUUORDSA-N 299.827 3.531 0 40 CHAB COc1cc(C)c(C(=O)NCC(C)C)cc1C(C)C 75909179 CRSAREQXNGGNIB-UHFFFAOYSA-N 263.381 3.513 0 40 CHAB Cc1ccc(C)c(CC(=O)N(C)[C@H](C)c2cccc(O)c2)c1 79051478 GFIUFBXQYFOAEW-OAHLLOKOSA-N 297.398 3.771 0 40 CHAB CC1(C)CC(=O)c2cc(Cl)cc(Br)c2O1 82791416 AHYKSFPENAUKNA-UHFFFAOYSA-N 289.556 3.846 0 40 CHAB CC1(C)CCCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 87708274 XMXSPXDOVOSQGA-UHFFFAOYSA-N 287.359 3.753 0 40 CHAB CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1ccccc1F 89669292 TVTODGJDYKFBGT-SFHVURJKSA-N 296.345 3.832 0 40 CHAB NC[C@@H](c1ccc(F)cc1)c1c[nH]c2ccc(F)cc12 91690207 BFAVJEXIORIFMT-AWEZNQCLSA-N 272.298 3.537 0 40 CHAB Cc1noc(C)c1CCN[C@H](C)c1ccc(F)cc1Cl 95422131 MOZIYHYEXFXAGV-SECBINFHSA-N 296.773 3.977 0 40 CHAB CCC[C@@]1(CC(=O)Nc2nccs2)CCOC(C)(C)C1 95475218 CCYOAUYQPXKVLL-HNNXBMFYSA-N 296.436 3.847 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)CCc1ccc2[nH]ccc2c1 95986518 MCCHURLTSLNFRF-XJKSGUPXSA-N 284.403 3.795 0 40 CHAB C[C@H](Nc1ncccn1)c1ccc(-c2cccnc2)cc1 96447474 GHZPSDMOFPXLKB-ZDUSSCGKSA-N 276.343 3.712 0 40 CHAB C[C@@H]1CC=CC[C@H]1COC(=O)CSC(C)(C)C 97044008 SIIRQAUZUOXXTO-NEPJUHHUSA-N 256.411 3.664 0 40 CHAB Cc1ccc(N2Cc3ccccc3C2=N)cc1Cl 101095457 SRNLJRJYPIYLRC-UHFFFAOYSA-N 256.736 3.994 0 40 CHAB C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccoc1 101104360 MSBGXQSDBDHIGV-FASAQXTFSA-N 297.398 3.710 0 40 CHAB C[C@@H]1[C@@H](NC(=O)c2ccccc2OC(F)F)CCC[C@H]1C 105672330 OZFXERIGQHVFNP-MDZLAQPJSA-N 297.345 3.843 0 40 CHAB COCc1cccc(NC(=S)Nc2ccccc2)c1 131448734 XAZWGLLUACORCG-UHFFFAOYSA-N 272.373 3.642 0 40 CHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)cc1 225610019 KCVYZGXEPVAMQT-MRXNPFEDSA-N 279.380 3.618 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccccc3N)o2)C1 226301208 VTLHLURBDRQTAF-STQMWFEESA-N 298.386 3.647 0 40 CHAB O=C(Sc1nnc(-c2ccccc2)o1)c1cccs1 408531325 NTILAZZIFLXKDB-UHFFFAOYSA-N 288.353 3.731 0 40 CHAB Cc1ccc2nc(SC(=O)c3cccs3)[nH]c2c1 408625236 WYPLXADJPGGBLE-UHFFFAOYSA-N 274.370 3.865 0 40 CHAB c1ccc([C@@H]2CCN(c3nc4ccccc4s3)C2)nc1 798415365 YPQHUDPXILONOV-GFCCVEGCSA-N 281.384 3.685 0 40 CHAB O=C(Cc1cccc2ccccc12)N1CCC[C@@H](CF)C1 881591229 KIWARNFJWGKNGE-AWEZNQCLSA-N 285.362 3.590 0 40 CHAB O=C(CSCc1ccc(Cl)cc1)Nc1nccs1 98461 VNDKVRPZDLMDAF-UHFFFAOYSA-N 298.820 3.668 0 40 CHAB CC[C@H](C(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 362357 VUHYBSBGVLRAJV-KRWDZBQOSA-N 282.387 3.885 0 40 CHAB Cc1ccc2ccccc2c1NC(=O)CN1CCCCC1 411581 BNUWZDCJOHCBIP-UHFFFAOYSA-N 282.387 3.573 0 40 CHAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C)cc1 574314 KQQFFXBQCYYOEW-VAWYXSNFSA-N 297.354 3.664 0 40 CHAB CC(=O)O/C(=C(\OC(C)=O)c1ccccc1)c1ccccc1 1590066 OLYDJYCNBCBHOZ-ZCXUNETKSA-N 296.322 3.639 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1cccc(F)c1 2378907 OTCVKASYZCLLEU-UHFFFAOYSA-N 280.339 3.912 0 40 CHAB O=C(CCc1cc(F)c(F)c(F)c1)C1CCCC1 2517884 ZTYPCNRZYPDOCN-UHFFFAOYSA-N 256.267 3.796 0 40 CHAB C[C@@H]1CCCCN1c1ncnc2sc3c(c12)CCCC3 2886880 CCQMLCVCMDJDAZ-LLVKDONJSA-N 287.432 3.949 0 40 CHAB COc1ccc2ccccc2c1CNCCC(C)C 4695062 ZAOPRJQCADBUDC-UHFFFAOYSA-N 257.377 3.984 0 40 CHAB COc1cccc(CC(=O)Nc2cc(Cl)ccc2C)c1 5511927 WUIQEWDAJVEPKT-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB COc1ccc(C)cc1[C@H](C)NC(=O)C[C@@H]1C=CCC1 8130129 CMUMYUXKSLACCH-UONOGXRCSA-N 273.376 3.537 0 40 CHAB O=C(Cc1ccc2ccccc2c1)NCc1ccc(F)cc1 8265785 QDAFFWPPEPUTLK-UHFFFAOYSA-N 293.341 3.838 0 40 CHAB COc1ccc(CCNC/C=C/c2ccccc2)cc1OC 8493557 YHDICZKBOYKLRU-RMKNXTFCSA-N 297.398 3.549 0 40 CHAB CCOc1cccc(OCCOc2ccccc2F)c1 8753023 WQOBZNIQCFOKOU-UHFFFAOYSA-N 276.307 3.682 0 40 CHAB CC(C)[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccs1 10376339 MKCQJTYSYLJWRC-OAHLLOKOSA-N 299.399 3.752 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1ccccc1)C2 13304801 NTWLHHBGBISWLH-GRDNDAEWSA-N 257.377 3.631 0 40 CHAB CCOc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1 13667556 KLAHCSRDRMRIMD-DHZHZOJOSA-N 285.318 3.876 0 40 CHAB c1ccc(CNCc2cccc(Oc3ncccn3)c2)cc1 13731515 YADQBWTVIGOQBD-UHFFFAOYSA-N 291.354 3.559 0 40 CHAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 16475841 MXNXUGZLEBGSEG-XQQFMLRXSA-N 294.826 3.645 0 40 CHAB CCc1ccc(CN2CCN(C(CC)CC)CC2)cc1 19367262 ZQGYZCRLUWQXLV-UHFFFAOYSA-N 274.452 3.555 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCC[C@@H](C)C1 20459780 XEOZATYRTSGXIK-ZBFHGGJFSA-N 289.419 3.719 0 40 CHAB Cc1ccc(NCCC(=O)c2ccccc2)cc1C 26959056 ULHOFTJEICTJFE-UHFFFAOYSA-N 253.345 3.988 0 40 CHAB COc1cccc(O[C@H](C)C(=O)Nc2cc(C)cc(C)c2)c1 30850953 QBWRBLFHLNUFAM-CQSZACIVSA-N 299.370 3.718 0 40 CHAB O=C(O)c1cc2occc2n1Cc1ccccc1Cl 32501237 GGTBLLLPNZBYLQ-UHFFFAOYSA-N 275.691 3.634 0 40 CHAB NC(=O)c1ccc(-c2ccccc2-c2ccccc2)o1 32523838 XXIKGKOGYQJBGM-UHFFFAOYSA-N 263.296 3.713 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](C(F)(F)F)C1 40421511 KFTRFTOPVDEZIO-NSHDSACASA-N 296.292 3.582 0 40 CHAB COc1ccc(C(F)(F)F)c(-c2ccncc2)c1 47217253 NZZJSJINTOCRDE-UHFFFAOYSA-N 253.223 3.776 0 40 CHAB c1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 49422288 FBKYJTSSHUAJGO-UHFFFAOYSA-N 288.310 3.794 0 40 CHAB C(=N/Nc1ccc2ccccc2n1)\c1ccsc1 57411559 PGVSQDDSQOKLCU-OQLLNIDSSA-N 253.330 3.742 0 40 CHAB Cc1ccc(-c2c[nH]c([C@H](O)c3ccc(C)cc3)n2)cc1 61904148 BQOMFHJKRHCDCT-QGZVFWFLSA-N 278.355 3.775 0 40 CHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)C[C@@H]1C=CCC1 69901633 OOWKBSDYSVVOLU-LLVKDONJSA-N 292.766 3.593 0 40 CHAB CCOC(=O)C[C@@H](c1ccc(Cl)cc1)N(CC)CC 72210298 GYGRFRBHVJAAIV-AWEZNQCLSA-N 283.799 3.676 0 40 CHAB c1csc(SCc2cn3ccsc3n2)c1 72287055 FEUCKAKMCUUTIU-UHFFFAOYSA-N 252.389 3.750 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)N(C)[C@H](C)C2CC2)cc1 79219125 UYXSWACHQABSDS-CHWSQXEVSA-N 274.408 3.750 0 40 CHAB CCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 84742874 XFBDOGVTXQEQIJ-WCQYABFASA-N 251.757 3.502 0 40 CHAB CC(C)c1ccc([C@H](OCC(=O)O)C(F)(F)F)cc1 95096439 VZLLKDVSJKKKGT-LBPRGKRZSA-N 276.254 3.515 0 40 CHAB CC[C@@H](O)c1ccc(OCc2cccc(NC(C)=O)c2)cc1 96417355 BHASVPWOCPKRJT-GOSISDBHSA-N 299.370 3.667 0 40 CHAB O=C(OCc1nccs1)[C@H]1CCCC[C@@H]1C(F)(F)F 97159123 RUNZVTZPBTWPGW-IUCAKERBSA-N 293.310 3.555 0 40 CHAB Cc1cccc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 101397785 UQOHXOZETQDWMQ-DSJMHWKBSA-N 257.377 3.550 0 40 CHAB Cc1nc(-c2ccccc2)nc2c1[C@@H]1[C@@H](C2)C1(C)C 103985697 VVZNGIWLPQQXHU-DOMZBBRYSA-N 250.345 3.748 0 40 CHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H]1Cc1ccccc1 107329378 CEVSGPCWLBCVDY-XSLAGTTESA-N 283.415 3.656 0 40 CHAB N#Cc1ccc(NCCc2c[nH]c3ccccc23)cc1C#N 118411105 RZDBFYSZNRRUJL-UHFFFAOYSA-N 286.338 3.566 0 40 CHAB COc1ccc(C)cc1NC(=O)Cc1ccc(C)cc1C 224521719 ODICWOYNRNIFGG-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB C[C@@H]1CCCN(c2c(Cl)cc(N)cc2Cl)C1 226316390 ZLDKAOWPZIIXPB-MRVPVSSYSA-N 259.180 3.812 0 40 CHAB Clc1ccc2nc(N3C[C@@H]4CCC[C@H]4C3)cnc2c1 624031275 BQHPJUNGKSPLAO-QWRGUYRKSA-N 273.767 3.520 0 40 CHAB CC1(C)C(C)(C)C1(Br)Br 1559029 MUWHYUYVHLTKEF-UHFFFAOYSA-N 255.981 3.539 0 40 CHAB CCO[P@](=O)(O)C(c1ccccc1)c1ccccc1 1593185 WLYVGTCWQGUSFD-UHFFFAOYSA-N 276.272 3.998 0 40 CHAB O=C(O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3 1645351 FUYIQBOZRCRPLS-UHFFFAOYSA-N 292.378 3.588 0 40 CHAB Cc1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C 3069633 CVLXIBCWRXRJBR-VQHVLOKHSA-N 295.338 3.684 0 40 CHAB Cc1cc(-c2sccc2C)nc(-n2cccc2)n1 4088706 NMCDVFXNBKEWCH-UHFFFAOYSA-N 255.346 3.613 0 40 CHAB Cc1ccc(-n2ncc3c(NCCC(C)C)ncnc32)cc1 4354915 ABXDXEYVIASTOV-UHFFFAOYSA-N 295.390 3.582 0 40 CHAB C[C@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@]12CC[C@@]3(C)OC=O 4582594 AHZYNUWTBDLJHG-UNPMEBSKSA-N 250.382 3.791 0 40 CHAB Cc1cc(C)[n+](-c2cccc3cccc(N)c23)c(C)c1 5792754 HFPMOIZFRVEINO-UHFFFAOYSA-N 263.364 3.624 0 40 CHAB CCOC(=O)c1sc(NC(=O)C2CCCCC2)cc1C 6327467 XTIBZIMHIPCNHA-UHFFFAOYSA-N 295.404 3.752 0 40 CHAB CCC(=O)Nc1ccc(-c2csc(NC3CC3)n2)cc1 7274493 NTYVAVMMYOOCML-UHFFFAOYSA-N 287.388 3.733 0 40 CHAB COC(=O)c1ccc(-c2ccc(CNC3CCCC3)o2)cc1 7538840 SMIPBQDDUCNCJA-UHFFFAOYSA-N 299.370 3.765 0 40 CHAB Cc1ccc(C(=O)CSc2nc(C)c(C)o2)cc1 8332824 ONUQYBGJPUJOPL-UHFFFAOYSA-N 261.346 3.575 0 40 CHAB CNc1ncnc2cc(-c3ccc(F)cc3)sc12 9376138 ZYYIKXGPHUHNDT-UHFFFAOYSA-N 259.309 3.539 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc(CSC)o1 9514768 JXSZFJPMGALGQQ-UHFFFAOYSA-N 291.372 3.712 0 40 CHAB Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 11202982 OIFSIKYTVKTRNM-QGZVFWFLSA-N 265.356 3.876 0 40 CHAB CCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 11667379 SJHKNPHXWVKYCK-GFCCVEGCSA-N 297.358 3.530 0 40 CHAB CCc1ccccc1NC(=S)N[C@@H](C)C(C)(C)C 13933719 ZYMUHPBFWBPWLF-NSHDSACASA-N 264.438 3.970 0 40 CHAB CC(C)(C)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 14982350 VVQFKBSPDUDXMN-CYBMUJFWSA-N 287.325 3.877 0 40 CHAB O=C1C[C@H](c2ccc(O)cc2)c2c(sc3c2CCCC3)N1 15084829 DUXPKSBEKAWFLQ-CYBMUJFWSA-N 299.395 3.807 0 40 CHAB Nc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 19275058 VVJKTSKZDFTNKL-UHFFFAOYSA-N 280.249 3.540 0 40 CHAB CC(=O)Oc1cc2sc(C)nc2c2ccccc12 19927100 PSVJQZAVRKCKJV-UHFFFAOYSA-N 257.314 3.683 0 40 CHAB CCCOc1cccc(-c2nc3cc(C(=O)O)ccc3[nH]2)c1 19943853 ONLZRCYFEMQHDG-UHFFFAOYSA-N 296.326 3.717 0 40 CHAB CC[C@@H](C)C(=O)N[C@H](C)c1cc2cccc(OC)c2o1 25197128 GJSQIWVHBATQJN-GHMZBOCLSA-N 275.348 3.665 0 40 CHAB COc1ccc(N[C@@H](C)c2nc(-c3ccco3)no2)cc1 26982518 PXBRAPAEJQALED-JTQLQIEISA-N 285.303 3.511 0 40 CHAB CCC(=O)N[C@@H]1Sc2ccccc2N=C1c1ccccc1 27061590 LLRPKEPBYCNPFT-QGZVFWFLSA-N 296.395 3.765 0 40 CHAB Cc1ccccc1OCc1ccc(C(=O)NC2CCCC2)o1 28229857 FIBOGIPQYNWRQL-UHFFFAOYSA-N 299.370 3.839 0 40 CHAB CN(Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 31961906 WWYMRAQFSAKRMQ-INIZCTEOSA-N 275.779 3.505 0 40 CHAB O=C(NC1CCC(C(F)(F)F)CC1)C1CCCCC1 32902207 YPDFGAOEIYTLQQ-UHFFFAOYSA-N 277.330 3.804 0 40 CHAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 33145492 NWWTUUJPQWNMGF-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB Fc1ccccc1OCc1nc(-c2ccsc2)no1 39992579 HKRQXTAFTVFYPA-UHFFFAOYSA-N 276.292 3.516 0 40 CHAB O=C(Nc1ccccn1)c1cc2cc(Cl)ccc2o1 40007740 ILNGZGIILSJJJE-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB Cn1ccc2c(C(=O)Nc3c(F)cccc3F)cccc21 40288539 ZHOYHDZFWJWBEA-UHFFFAOYSA-N 286.281 3.709 0 40 CHAB CC(C)Sc1nnc(-c2ccc(Br)cc2)o1 45952101 ZRDJJIUEMBWJDS-UHFFFAOYSA-N 299.193 4.000 0 40 CHAB Nc1nc2cc(C(F)(F)F)c(Br)cc2s1 57327551 OYZKYDFBOVKTNX-UHFFFAOYSA-N 297.099 3.660 0 40 CHAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 71840047 WTSPGRKRJWUKPT-IUODEOHRSA-N 282.387 3.530 0 40 CHAB CC(C)c1ccc(C(=O)COc2nc(C(C)C)no2)cc1 78561479 FHNGYLSTRVRXRH-UHFFFAOYSA-N 288.347 3.578 0 40 CHAB CC(C)(C)SCCOC(=O)Cc1c(F)cccc1F 84240988 RRGAYIOWZUTPQU-UHFFFAOYSA-N 288.359 3.582 0 40 CHAB OC1=NC(=S)S/C1=C\c1csc(-c2ccco2)n1 84432918 JXQYMWCZDZIPTH-YWEYNIOJSA-N 294.382 3.732 0 40 CHAB CCOC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 85398384 FXRVVTDINUCANM-UHFFFAOYSA-N 280.327 3.715 0 40 CHAB OCc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 91006446 QPHFZXXDFYXCAN-UHFFFAOYSA-N 289.737 3.974 0 40 CHAB CC(C)n1cc([C@@H](C)N[C@@H]2CCc3c(O)cccc32)cn1 95421939 QMPXRMXNGQRQTC-MLGOLLRUSA-N 285.391 3.508 0 40 CHAB CC(C)n1ccc2c(C(=O)NCc3ccccn3)cccc21 95479936 DEZYPRFFKVYNGD-UHFFFAOYSA-N 293.370 3.547 0 40 CHAB O=C(OC1(C2CC2)CC1)c1csc(-c2ccco2)n1 96447599 PEAOBUOOYRRXGJ-UHFFFAOYSA-N 275.329 3.503 0 40 CHAB COc1cccc2cc(C(=O)NC3CCCCCC3)oc12 97074622 CJJGLICMEBLPPL-UHFFFAOYSA-N 287.359 3.894 0 40 CHAB Cc1ccc(Nc2c(N)oc(=O)c3ccccc23)cc1C 101425877 HRRUYOWZKHUTQT-UHFFFAOYSA-N 280.327 3.736 0 40 CHAB COc1cc(C)c(C(=O)COc2ccccc2)cc1C 124962734 BAZDODXMKHJKHS-UHFFFAOYSA-N 270.328 3.574 0 40 CHAB CC[Sn](/C=C\C=C/OC)(CC)CC 195778077 NIPDMDGBUMPDID-DLFIUFGGSA-N 289.007 3.750 0 40 CHAB Brc1ccc2[nH]c(-c3ccc[nH]3)cc2c1 196146438 HBTUCQJZGKDKAA-UHFFFAOYSA-N 261.122 3.926 0 40 CHAB CCCOC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1 225726317 MMVFSNNPDCGBNA-UHFFFAOYSA-N 279.380 3.618 0 40 CHAB Cc1ccc(-c2ccc(OC(=O)c3ccco3)nn2)cc1C 408532443 YGIMIVICZRMVRR-UHFFFAOYSA-N 294.310 3.573 0 40 CHAB CC(C)Oc1nc2cc(C(F)(F)F)ccc2cc1N 685938322 HIRNOSQXSKVBTO-UHFFFAOYSA-N 270.254 3.623 0 40 CHAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1 50313 MWVIJSSEGYJBCU-UHFFFAOYSA-N 298.342 3.816 0 40 CHAB Cc1ccccc1C(=O)Oc1ccc(Br)cc1 383550 SBWSQMRGNXVXPD-UHFFFAOYSA-N 291.144 3.977 0 40 CHAB Cc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)c(C)c1 525529 PSSAKPVVASHYAK-UHFFFAOYSA-N 289.375 3.667 0 40 CHAB Cc1nc(N2CCCC[C@H]2C)c2c3c(sc2n1)CCC3 753812 VCYAESUMYLMZTL-SNVBAGLBSA-N 287.432 3.867 0 40 CHAB CCN(CC)CCNc1cc(Cl)cc2cccnc12 1653198 VDZUFVNIVVQEBG-UHFFFAOYSA-N 277.799 3.642 0 40 CHAB O=C(O)/C(=C\c1ccncc1)c1cccc2ccccc12 1727418 ZKEHLZUJSOVCAW-ATVHPVEESA-N 275.307 3.860 0 40 CHAB in-vitro C[C@@H](C1CCCCC1)[C@@](C)(CCC(=O)O)CC(=O)O 2204670 HAYNPIYDTMTGOL-NHYWBVRUSA-N 270.369 3.549 0 40 CHAB COc1cc(OC)c2c(c1C)O[C@@H](c1ccccc1)CC2=O 2516778 RIEGMKITKZWJHR-OAHLLOKOSA-N 298.338 3.719 0 40 CHAB biogenic C[C@@]12CC3(Br)CC(C(=O)O)(C1)C[C@](C)(C3)C2 3176879 DETOHPFJIVGWJO-MPEURRAXSA-N 287.197 3.585 0 40 CHAB Cc1ccc(CC(=O)Nc2cc(F)ccc2C)cc1C 3566269 UKOQDGDHURHRDM-UHFFFAOYSA-N 271.335 3.932 0 40 CHAB CCCCCCN1CCN(c2ccccc2C)CC1 4054451 OPCVTJSKVZXGCZ-UHFFFAOYSA-N 260.425 3.697 0 40 CHAB C[C@@H]1C(O)[C@@H](C)[C@H](c2cccs2)N[C@@H]1c1cccs1 4099758 CPNYMZKNSCYTRC-ZRMABJORSA-N 293.457 3.828 0 40 CHAB O=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4820278 KHWMXALDGHPVGM-OPQQBVKSSA-N 264.756 3.650 0 40 CHAB O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)Oc2ccccc21 4997934 UWVVHYWLGGUWPL-CQSZACIVSA-N 294.137 3.814 0 40 CHAB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1cccs1 5544334 QCERLECDHRMAOZ-GDNBJRDFSA-N 282.368 3.863 0 40 CHAB C[C@@H]1Cc2ccc(CO)c(/C=C/C=C/C(=O)O)c2[C@H](C)C1 5763945 XVNDJROXVPBPBY-LQXDMDBZSA-N 286.371 3.519 0 40 CHAB in-vitro Cc1ccc(NC(=S)Nc2ccc3ncncc3c2)cc1 6044370 KCDIFWVUBQIAMC-UHFFFAOYSA-N 294.383 3.747 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 6262516 ZFZMSNPPLMFOCB-UHFFFAOYSA-N 273.719 3.795 0 40 CHAB Cc1ccc(NC(=O)c2cccnc2Cl)c(C)c1 6271713 KZJJOVXUEHYAIO-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 6440542 ULTZVFDZMQXZCY-VMPITWQZSA-N 288.155 3.660 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)NC2CCCC2)cc1C 7536298 ANLYMLQAJYFNHX-CYBMUJFWSA-N 277.433 3.843 0 40 CHAB Cc1ccc(OCC(=O)NC[C@H](C)c2ccccc2)cc1C 8167338 XWWVIGHZSMOVEF-INIZCTEOSA-N 297.398 3.602 0 40 CHAB Cc1ccc(C)c(OCCCCNCc2ccco2)c1 8749820 NICWMLGRJZQHJM-UHFFFAOYSA-N 273.376 3.845 0 40 CHAB Cc1nnc(COc2cc(Cl)c(Cl)cc2Cl)o1 9377684 CGKICBZNQOHVFN-UHFFFAOYSA-N 293.537 3.917 0 40 CHAB COc1cccc(C(=O)Nc2ccc(C3(C)CC3)cc2)c1 9592483 ZUJDTEAJFJAFMU-UHFFFAOYSA-N 281.355 3.999 0 40 CHAB CCc1ccc(CCC(=O)NCc2cccc(C)c2)cc1 10448248 LYAWARZCQJWWPF-UHFFFAOYSA-N 281.399 3.806 0 40 CHAB Cc1ccc(C)c(C(=O)NCc2ccc(F)c(C)c2)c1 10551586 UNPMSXPRDVCGTH-UHFFFAOYSA-N 271.335 3.681 0 40 CHAB CCn1nc(NC(=O)c2ccc3c(C)c(C)[nH]c3c2)cc1C 12183071 XTKGNEUSAIUUNX-UHFFFAOYSA-N 296.374 3.562 0 40 CHAB Cc1c(Cl)cccc1NC(=O)/C=C/c1cccnc1 12646054 MBPBGRWGIADVRE-BQYQJAHWSA-N 272.735 3.695 0 40 CHAB CCc1cc(C(=O)Nc2ccc(OC)cc2)sc1C 13004656 SXWSDMMHADMXBT-UHFFFAOYSA-N 275.373 3.880 0 40 CHAB Fc1ccc(-c2cc3nc4c(c(Cl)n3n2)CCC4)cc1 13562638 BPRVBKSIGSWDCG-UHFFFAOYSA-N 287.725 3.678 0 40 CHAB OCc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 14119808 DOWMXOBVRFZXOW-UHFFFAOYSA-N 298.773 3.744 0 40 CHAB C[C@@H](Sc1nncs1)c1nnc(-c2cccs2)o1 14169023 WOPFUWYSJBQHLA-ZCFIWIBFSA-N 296.402 3.503 0 40 CHAB Cc1ccccc1C(=O)N[C@@H](C)c1ccc(F)cc1 15516817 ATLYPDKYOFOOJP-LBPRGKRZSA-N 257.308 3.625 0 40 CHAB CC(=C/c1ccccc1)/C=C1\N=C(c2ccco2)OC1=O 16136483 ITXRCLAOMTZJTG-CIRQKMMASA-N 279.295 3.570 0 40 CHAB N[C@@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 19414862 XDZAZPSMRRQAGP-ZDUSSCGKSA-N 253.679 3.666 0 40 CHAB c1cc(-c2ccc(-c3nnco3)cc2)cc(-c2cc[nH]n2)c1 19812922 UGXCMTNRURKGGO-UHFFFAOYSA-N 288.310 3.794 0 40 CHAB COc1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 21695515 DDHOEZZKKJMFOQ-UHFFFAOYSA-N 285.318 3.505 0 40 CHAB CN1CCC(c2c[nH]c3ccc(Br)cc23)CC1 22009172 OWTKCABHRSIAJY-UHFFFAOYSA-N 293.208 3.740 0 40 CHAB COCc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 25334563 QLMCUAFBZAFPAU-AWEZNQCLSA-N 299.370 3.547 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)CCC(=O)c1ccccc1 30996655 KSMSRQVWBLUKMK-CQSZACIVSA-N 293.366 3.627 0 40 CHAB Nc1nc2c(s1)[C@@H](c1ccc(F)cc1Cl)CC(O)=N2 32094307 AEYMVBVBBCGVAS-SSDOTTSWSA-N 297.742 3.641 0 40 CHAB Clc1ccc(-c2cnn(-c3ccccc3)n2)cc1 34615476 QXLQNIMTZQLGQK-UHFFFAOYSA-N 255.708 3.588 0 40 CHAB CC(C)(C)CC(=O)NCCCc1nc2ccccc2s1 37124599 NRESFOCUWSZYLF-UHFFFAOYSA-N 290.432 3.781 0 40 CHAB CSCc1nnc(SCc2ccc(Cl)s2)o1 40023667 QORPTOOXSHDXSX-UHFFFAOYSA-N 292.838 3.940 0 40 CHAB O=C(Nc1ncc(-c2ccccc2)s1)C1CCCC1 40087537 VHZXVRLMWTVACN-UHFFFAOYSA-N 272.373 3.939 0 40 CHAB C[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2)C1 40095213 FLBHZWZQNZKWHD-JTQLQIEISA-N 297.196 3.713 0 40 CHAB COc1cccc([C@H]2CCCN2C(=O)CC(C)(C)C)c1 42010280 ZYMFFYRZMCDROP-OAHLLOKOSA-N 275.392 3.795 0 40 CHAB c1ccc(-c2csc(CN[C@H]3CCN(C4CC4)C3)c2)cc1 44687558 PRAVSULXWQNCRH-INIZCTEOSA-N 298.455 3.741 0 40 CHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)C 44844854 WXUVOQCJQRAUAK-OAHLLOKOSA-N 285.387 3.912 0 40 CHAB CCC(=O)Nc1ccc(NC(=O)NCCC(C)C)cc1C 47973162 XSHCZWARUDBXDA-UHFFFAOYSA-N 291.395 3.511 0 40 CHAB CCC(CC)c1nnc(NC(=O)[C@@H]2CC=CCC2)s1 57329304 FVKGXIAQIXTDEZ-LLVKDONJSA-N 279.409 3.737 0 40 CHAB Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1C 57358949 IKBWFDDJYPMVCU-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CC(C)c1noc(COc2ccc(F)cc2Cl)n1 58017831 GPWYTGIMVXPIKN-UHFFFAOYSA-N 270.691 3.565 0 40 CHAB c1csc(-c2n[nH]c(-c3cccc4ncccc34)n2)c1 61415616 XFEKQHBJYKLBOE-UHFFFAOYSA-N 278.340 3.748 0 40 CHAB C[C@@H]1CCc2ccc(Br)cc2C(=O)C1 61831331 ZZAHJKXWABEEHE-MRVPVSSYSA-N 253.139 3.604 0 40 CHAB in-vitro CN[C@@H](C)/C=C/c1ccc(OCc2ccccc2)cc1 70453331 AVVHBXPHMCYFMY-HVHJFMEUSA-N 267.372 3.887 0 40 CHAB Cc1ccc(C)c(NC(=O)c2c(C)nc3ccc(C)cn23)c1 71459174 JHVOPNXSHLNMJN-UHFFFAOYSA-N 293.370 3.820 0 40 CHAB Cc1cc(Oc2ccc(C=O)o2)ccc1Br 72228399 MGKXTVCWXCHJQC-UHFFFAOYSA-N 281.105 3.955 0 40 CHAB COc1ccc([C@@H](C)N(C)Cc2csc(C)n2)cc1 76718213 IMKPCYLWMPRWMN-LLVKDONJSA-N 276.405 3.653 0 40 CHAB O=C(Nc1ncc(Cl)cc1Cl)c1cccc(F)c1 89228944 OAWLNKAZHHRYQC-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB C[C@H](CCc1ccccc1)NCCn1cnc2ccccc21 89895771 YEEPORFAJAVSCJ-MRXNPFEDSA-N 293.414 3.647 0 40 CHAB CN1O[C@@H](c2ccc(Cl)cc2)C[C@]1(C)c1cccnc1 90487501 DHTJFQWHCVTNRY-HZPDHXFCSA-N 288.778 3.959 0 40 CHAB in-vitro CC1(C)C[C@](CCN)(c2ccc(Cl)cc2)CCO1 95476530 TZHIUVTXAZUASU-OAHLLOKOSA-N 267.800 3.516 0 40 CHAB O=C(Cc1ccsc1)N1CCC(c2cccs2)CC1 96120595 ZJSDIOUTAPMDIR-UHFFFAOYSA-N 291.441 3.758 0 40 CHAB COc1ccc2cc([C@@H](C)Sc3ncn[nH]3)ccc2c1 96436618 TUZVCQFRKBELIN-SNVBAGLBSA-N 285.372 3.820 0 40 CHAB CC(C)c1nnc(CN(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(C)C)o1 101067152 FECOHDFYQWUDRE-KKUMJFAQSA-N 289.423 3.616 0 40 CHAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102357958 QUJZFJXDSGVKPG-FHIRATQRSA-N 296.414 3.651 0 40 CHAB CC(=O)c1ccc(C(F)(F)F)c(Br)c1 169796924 SGSXDIQXFKLGCT-UHFFFAOYSA-N 267.044 3.671 0 40 CHAB COc1cc(SC)ccc1NC(=O)Cc1ccsc1 192697711 OWDKBEJBZMJLBZ-UHFFFAOYSA-N 293.413 3.660 0 40 CHAB O=C1C[C@@H]2C=CC=C[C@@H]2N1c1c(Cl)cccc1Cl 216645138 GGLIFNUEQAHJRB-CABZTGNLSA-N 280.154 3.841 0 40 CHAB CC(C)[C@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 225211470 QBKMXRQYAHPFPI-KBPBESRZSA-N 285.387 3.768 0 40 CHAB Cc1ccccc1NC(=O)c1conc1-c1ccccc1 225870805 LSUWFDPSZPOUOR-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB CSc1ccccc1NC(=S)Nc1cccnc1 116740 FDTCYNFZAVQZSM-UHFFFAOYSA-N 275.402 3.612 0 40 CHAB Cc1ccc(NCC(=O)c2ccc(Cl)cc2)cc1 405242 QXEGUBMETSTTSB-UHFFFAOYSA-N 259.736 3.943 0 40 CHAB C[C@@H]1CC(C)(C)O[C@@H](c2cc3c(cc2Cl)OCO3)O1 1670486 NZVOPUJOXFVYIA-OQPBUACISA-N 284.739 3.671 0 40 CHAB CCCCOC(=O)c1cc(/C=C/c2ccccc2)on1 1691522 VWRBPMCTLYVWTO-MDZDMXLPSA-N 271.316 3.802 0 40 CHAB c1ccc([C@H]2OCCCO[C@@H]2c2ccccc2)cc1 1704528 VJYFNYXNGNWAIQ-IAGOWNOFSA-N 254.329 3.906 0 40 CHAB CN(C(=O)Oc1cccc2ccccc12)[C@H]1C=CCC1 2042171 WBQLIXLVZGYQGW-AWEZNQCLSA-N 267.328 3.989 0 40 CHAB O=C(O)CCCCSc1nc2ccccc2s1 2491382 QGZRYLFRUJLIJX-UHFFFAOYSA-N 267.375 3.643 0 40 CHAB Cc1nc2ccccn2c1C(=O)Nc1ccc(Cl)cc1 3029448 LNLJMJRUVVKNEU-UHFFFAOYSA-N 285.734 3.548 0 40 CHAB Cc1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1 3322041 JYCVABRIZPNWRX-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB Cc1ccccc1OCC(=O)N[C@@H]1CCCc2ccccc21 3606554 PLKGKFUDNZQSCU-QGZVFWFLSA-N 295.382 3.568 0 40 CHAB Cc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 4163628 WFPPGGIMBQACRR-UHFFFAOYSA-N 292.338 3.606 0 40 CHAB Fc1ccc(-c2noc(-c3ccccc3F)n2)cc1 4786706 BYUOMLYACWWNQY-UHFFFAOYSA-N 258.227 3.682 0 40 CHAB CCO[C@H]1CSc2ccccc2C(c2ccccc2)=N1 5518932 MAIYTAQSKUNZHK-INIZCTEOSA-N 283.396 3.992 0 40 CHAB Cc1ccc(NC(=O)c2cccc(C)c2C)c(O)c1 6084724 GQOBQCQYKSERKG-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 6488630 FNZYFOACEQKRGE-KCQAQPDRSA-N 275.392 3.640 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1ccc(C)cc1C 6558818 AYWFEFBNOGJPGN-UHFFFAOYSA-N 267.328 3.758 0 40 CHAB C[C@@H](NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 9154607 PQNDAWYFBRSWNF-SECBINFHSA-N 283.249 3.789 0 40 CHAB O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1 9313851 GDEHBDNDUSHBFD-UHFFFAOYSA-N 297.333 3.671 0 40 CHAB CCCCc1nnc2sc(-c3ccc(Cl)cc3)nn12 11277904 BHCZKYGTPHUNBH-UHFFFAOYSA-N 292.795 3.849 0 40 CHAB O=C(/C=C/c1ccc2ccccc2n1)Nc1ccccc1 12939360 IJJVDSLTFQUTEJ-OUKQBFOZSA-N 274.323 3.887 0 40 CHAB CSc1ncccc1C(=O)Nc1ccc2oc(C)nc2c1 14183772 FJSXJIGRKBDAHZ-UHFFFAOYSA-N 299.355 3.505 0 40 CHAB c1ccc2cc(OCC[C@H]3CCCNC3)ccc2c1 14632379 ZWOFPTCLPBLWBL-CQSZACIVSA-N 255.361 3.608 0 40 CHAB COC(=O)c1ccc(NCc2ccc3[nH]ccc3c2)cc1 15424260 GPNSNHPKULZJRJ-UHFFFAOYSA-N 280.327 3.567 0 40 CHAB CCCSc1nc(=O)n(C2CCCCC2)c2c1CCC2 15840351 SVVLZFXACLUTEV-UHFFFAOYSA-N 292.448 3.739 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 16890071 NVKAWKQGWWIWPM-OJFYJRGUSA-N 290.447 3.959 0 40 CHAB biogenic,in-vitro CC[C@H](NC(=O)Cc1ccccc1)c1ccc(OC)cc1 20106394 MYPXONALZDFHME-KRWDZBQOSA-N 283.371 3.505 0 40 CHAB CC(C)NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 20536024 MPGGCXQZIQIAGV-MRVPVSSYSA-N 275.179 3.762 0 40 CHAB Cc1noc(C)c1CSc1nnc(-c2cccs2)o1 28229919 JRWGFTKITIVQCV-UHFFFAOYSA-N 293.373 3.695 0 40 CHAB O=Cc1cccc(OCc2cc(F)cc3cccnc23)c1 31606757 FKKSPMYKURHNNY-UHFFFAOYSA-N 281.286 3.765 0 40 CHAB Cc1cc(NC(=O)c2cccc(F)c2)n(C2CCCC2)n1 32610343 UGGYZACQHXYWKE-UHFFFAOYSA-N 287.338 3.698 0 40 CHAB CC(C)(C)CC(=O)NCc1ccnc(Oc2ccccc2)c1 32930564 USOWKRIZZGEBGG-UHFFFAOYSA-N 298.386 3.926 0 40 CHAB CC(C)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 33325928 WGXZDKMSCHBHIV-GFCCVEGCSA-N 274.389 3.616 0 40 CHAB Cc1ccc(/C=C/c2nn3c(C(C)C)nnc3s2)cc1 35323768 BOSRROQLYOUOHP-CMDGGOBGSA-N 284.388 3.788 0 40 CHAB O=C(c1ccc(F)cc1)c1cnc2ccccc2c1 37761548 RTQPEKDTIMMPGS-UHFFFAOYSA-N 251.260 3.605 0 40 CHAB in-vitro COc1cccc([C@@H]2CCCN2C(=O)CC(C)(C)C)c1 42010282 ZYMFFYRZMCDROP-HNNXBMFYSA-N 275.392 3.795 0 40 CHAB CCOCCCNC(=S)Nc1ccc(C(C)C)cc1 57736701 NEAUJXDUTYBVMP-UHFFFAOYSA-N 280.437 3.523 0 40 CHAB CCC[C@H]1CCCN(C(=O)c2cccnc2OCC)CC1 60221633 QGMDFWOYHAQJOK-AWEZNQCLSA-N 290.407 3.523 0 40 CHAB Cc1c(C(=O)Nc2ccc(F)cn2)oc2c(C)cccc12 60380956 SEICDKKHROLBEV-UHFFFAOYSA-N 284.290 3.836 0 40 CHAB CC[C@@H](C)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890724 ZCPHDPNCSHHFLX-MRVPVSSYSA-N 284.319 3.664 0 40 CHAB CCCN1CCCC[C@H]1c1cnc(N2CCCC2)c(C)c1 72218819 ZFXBBNMIPMTLQX-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB O=C(CCc1ccc2ccccc2c1)Nc1ccc(F)cn1 72254908 LZCRSIKSEBUGOM-UHFFFAOYSA-N 294.329 3.945 0 40 CHAB CCc1ccccc1NC(=O)c1cc(C(C)(C)C)on1 72296539 BWVGTJMQFGCJOC-UHFFFAOYSA-N 272.348 3.787 0 40 CHAB CC(C)n1cnc2cc(C(=O)N3CCCCCC3)ccc21 74957213 RURYPPMKEYHYGT-UHFFFAOYSA-N 285.391 3.633 0 40 CHAB O[C@H](CSc1ccccn1)c1ccc(OC(F)F)cc1 84613286 LGGHHFOVYUUEEF-GFCCVEGCSA-N 297.326 3.509 0 40 CHAB CC(=O)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 85346748 PGXNRJILSIXYKH-UHFFFAOYSA-N 298.125 3.530 0 40 CHAB O=Cc1cccc(OCCCC(F)(F)C(F)(F)F)c1 95094060 NAYFQESLPKIDOS-UHFFFAOYSA-N 282.208 3.856 0 40 CHAB CC(C)CCOc1ccc(CNCC(C)(C)N(C)C)cc1 95377574 SKOOBLYEIYKHPL-UHFFFAOYSA-N 292.467 3.541 0 40 CHAB in-vitro Cc1c([C@H](C)N[C@H](C)c2cnn(C)c2)oc2ccccc12 95420805 DZACUUNWAHCIER-OLZOCXBDSA-N 283.375 3.887 0 40 CHAB COc1cc(C(=O)c2cc(C)cc(F)c2)ccc1F 95916975 ZGLWMCGHXVLOKI-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB Cc1cccc(C(C)(C)NC(=O)[C@H]2C[C@H]2c2cccnc2)c1 96412117 RGDLWTDNZWBZFF-IRXDYDNUSA-N 294.398 3.545 0 40 CHAB Cc1n[nH]c(C)c1CNCc1cc2cc(F)ccc2s1 97160084 IGMOKKQYUZMLCK-UHFFFAOYSA-N 289.379 3.670 0 40 CHAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(C)c(C)c1 225465445 IWPWGMCIQQDQOT-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB CN(C(=O)c1conc1-c1ccccc1)c1ccc(F)cc1 225870067 NDRYNCXJFXTLRT-UHFFFAOYSA-N 296.301 3.757 0 40 CHAB Cc1c(Cl)cccc1C(=O)C(F)(F)Br 306938610 MWOIRFSAUXQLFL-UHFFFAOYSA-N 283.499 3.819 0 40 CHAB Cc1nc2cc(C(=O)Nc3ccccc3F)ccc2s1 408981053 YNLQLRVSKBCBSY-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB CCc1c(C(C)C)[nH]c2cccc(Br)c2c1=O 685937974 FHHXSNSECVZIBN-UHFFFAOYSA-N 294.192 3.976 0 40 CHAB O[C]1C=CC(=C2Oc3ccc(O)cc3[C@@H]3CCC[C@H]23)C=C1 1560410125 UUWKXJCILSKGJT-CABCVRRESA-N 281.331 3.953 0 40 CHAB O=C(CCC1CCCC1)NCCc1c[nH]c2ccccc12 779519 OLYSGIHPQPTAKV-UHFFFAOYSA-N 284.403 3.797 0 40 CHAB C[C@H]1C[C@@H](NC(=O)c2cccs2)CC(C)(C)C1 1030408 TVPKFTKNVSYTLO-WDEREUQCSA-N 251.395 3.693 0 40 CHAB O=Cc1ccc(OCCCCOc2ccc(C=O)cc2)cc1 2163898 KOMWLJLDHRMKGZ-UHFFFAOYSA-N 298.338 3.550 0 40 CHAB biogenic Cc1csc(NC(=O)c2c(-c3ccccc3)noc2C)n1 917524 YJFDVWLSEUXXEP-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CC(C)c1cc(Cl)ccc1O[C@H]1CCCNC1 42775170 XWDRXRLDRNCMNO-LBPRGKRZSA-N 253.773 3.594 0 40 CHAB Cc1c(Br)csc1Br 34376474 XLFOWVGHYFPKMU-UHFFFAOYSA-N 255.962 3.582 0 40 CHAB Cc1ccc(-c2noc(-c3ccc(Cl)nc3)n2)cc1 1384993 ALSIPXISSMHZOV-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB Cc1cccc(CNC(=S)Nc2ccc(F)cc2)c1 59920475 LGSOCAPQXLHILG-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc2ccccc2c1 1513364 HWPAEJWYKJFXBY-CVEARBPZSA-N 297.354 3.669 0 40 CHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2ccccc2c1 1513359 HWPAEJWYKJFXBY-HOTGVXAUSA-N 297.354 3.669 0 40 CHAB c1ccc(CCSc2nnc(-c3cccs3)o2)nc1 36397536 KBNYNOBIXIMLKJ-UHFFFAOYSA-N 289.385 3.528 0 40 CHAB CCC(C)(C)c1ccc(Oc2ncnc3c2cnn3C)cc1 12758008 QOZCKIKTWNPUKY-UHFFFAOYSA-N 296.374 3.843 0 40 CHAB Nc1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1 66073684 HTPOSANNBYPDRZ-UHFFFAOYSA-N 281.340 3.504 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1F 20029713 IRJZTQPYZHEQEX-UHFFFAOYSA-N 287.187 3.634 0 40 CHAB CC(C)(C)OC(=O)NC1(c2ccccc2)CCC(=O)CC1 116107024 XUSXCDJDXOLEGZ-UHFFFAOYSA-N 289.375 3.550 0 40 CHAB O=C(c1ccc(F)cc1F)c1c[nH]c2ccc(F)cc12 111683247 VYAVHWALLPJUTB-UHFFFAOYSA-N 275.229 3.816 0 40 CHAB Cc1nccn1-c1ccc(NC(=O)Nc2ccccc2)cc1 28306043 XESGMNQFGDAKCN-UHFFFAOYSA-N 292.342 3.825 0 40 CHAB Cc1cccc(NC(=O)C2(c3ccccc3)CC2)c1C 3430654 RETPUTIPBDDCHK-UHFFFAOYSA-N 265.356 3.974 0 40 CHAB COc1ccc(Cl)cc1C(=O)NCC1CCCCC1 3549838 XNBSKOCNLSLEAV-UHFFFAOYSA-N 281.783 3.659 0 40 CHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NC1CC1 12972394 FBEAGOHLBKOCJI-QMMMGPOBSA-N 287.190 3.858 0 40 CHAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CCCO1 5936827 YNZMOLYFIVMUIT-INIZCTEOSA-N 282.343 3.548 0 40 CHAB Cc1ccc(CCn2cc([C@@H]3CC=CCC3)nn2)cc1C 67491008 JACWUXPKGLASIL-QGZVFWFLSA-N 281.403 3.961 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7306560 NMLDQJOMSUZIDH-SVRRBLITSA-N 277.673 3.953 0 40 CHAB CCc1cccc(C)c1NC(=O)Cc1cccc(F)c1 7652930 RQCVNKWFPSATRQ-UHFFFAOYSA-N 271.335 3.878 0 40 CHAB Cc1ccc(NC(=O)OCC(F)(F)F)cc1Cl 7986286 QYFYAIXYWODHGE-UHFFFAOYSA-N 267.634 3.759 0 40 CHAB COCc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 8726573 DYEQNNCQMQPPOC-GOSISDBHSA-N 295.382 3.640 0 40 CHAB CCCNc1ncc(CN[C@@H](CCC)c2ccccc2)cn1 62717710 ZQPXSWANPHDERD-KRWDZBQOSA-N 298.434 3.930 0 40 CHAB CN[C@@H](C)CCc1ccc(OCc2ccccc2)cc1 34821314 OOVZKECGVZRDCQ-HNNXBMFYSA-N 269.388 3.806 0 40 CHAB Cc1noc(C)c1N(C)C(=O)c1cc(C)n(C(C)C)c1C 75093630 LNBPJJHMTZBTHG-UHFFFAOYSA-N 289.379 3.567 0 40 CHAB CN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359277 SDGDXIDIYWKQDN-UHFFFAOYSA-N 287.794 3.606 0 40 CHAB COc1ccc(SCC(=O)c2ccccc2)cc1OC 44563622 KWGUOMDZGACTEL-UHFFFAOYSA-N 288.368 3.679 0 40 CHAB CCCN1CCCC[C@H]1c1ccc(SC)nc1 72216900 FARFSKADGKVFGN-ZDUSSCGKSA-N 250.411 3.741 0 40 CHAB CC(C)(C)c1cc(Cl)ccc1O[C@@H]1CCCNC1 42775316 RFNZEIUVQYRMGZ-GFCCVEGCSA-N 267.800 3.768 0 40 CHAB CC[C@H](C)NC(=S)Nc1cccc(OC(C)C)c1 225273320 IKCDONQEKOFOQY-NSHDSACASA-N 266.410 3.559 0 40 CHAB Clc1nc(Cl)c2cnn(-c3ccccc3Cl)c2n1 228955364 SSULGTPPYJVQQK-UHFFFAOYSA-N 299.548 3.776 0 40 CHAB O=C(c1ccc(F)cc1)N1CCCc2cc(F)cc(F)c21 40139058 HRMAHODCIJSRLB-UHFFFAOYSA-N 291.272 3.697 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)NC(C)(C)C 47829768 GBVSBQDHJBRRFH-UHFFFAOYSA-N 274.389 3.647 0 40 CHAB Cc1cccc([C@H](NC(=O)C(C)C)c2ccccc2)c1 225344323 YQRHSMPAJWGHQZ-QGZVFWFLSA-N 267.372 3.857 0 40 CHAB CC(C)(C)CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 195623831 GGGXXPOXLDVQAB-UHFFFAOYSA-N 292.766 3.771 0 40 CHAB Cc1cc(C)cc(C(=O)C(F)(F)C(F)(F)F)c1 95916874 MFMVQMBISOOWKF-UHFFFAOYSA-N 252.182 3.684 0 40 CHAB Cc1ccc(Cl)cc1C(=O)C1=C(C(=O)O)CCCC1 95634142 JYGYWXYDGMVSFS-UHFFFAOYSA-N 278.735 3.786 0 40 CHAB CCCCOc1cc(F)ccc1C(=O)C(F)(F)F 95730666 FYBKNMCEVMLKLO-UHFFFAOYSA-N 264.218 3.750 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cc2ccccc2nc1N 252501298 UDOQGGYCHYHHHO-UHFFFAOYSA-N 291.354 3.686 0 40 CHAB O=C(c1ccc(Cl)c(F)c1)c1ccccc1F 95916251 SPOAWBWHMLBNRC-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB C[C@H](C(=O)O)c1cn(Cc2ccccc2)c2ccccc12 5550775 GAHBTSIQOMDKGQ-ZDUSSCGKSA-N 279.339 3.878 0 40 CHAB c1ccc2c(CCNCc3ccc4[nH]ccc4c3)c[nH]c2c1 15424195 PNDZDYHDZXMHBS-UHFFFAOYSA-N 289.382 3.982 0 40 CHAB Cc1ccc(NC(=O)/C=C\c2ccccc2)c(C)c1 17021665 LBOGMVZLOOVSQX-LUAWRHEFSA-N 251.329 3.955 0 40 CHAB Cc1ccc2nc(N3CCC(C)CC3)c(C=O)cc2c1 19821687 LUYRMZOCXMRJEU-UHFFFAOYSA-N 268.360 3.592 0 40 CHAB c1cc(-c2cccc3ncccc23)nc([C@H]2CCCNC2)c1 2037844057 MQMAXNCVLZGUFS-AWEZNQCLSA-N 289.382 3.764 0 40 CHAB N[C@H](Cc1ccccc1)c1cccc2c1CCCC2 6580779 KIYWAEQRGIWVLV-GOSISDBHSA-N 251.373 3.808 0 40 CHAB O=C(COCc1ccccc1)c1ccc(OC(F)F)cc1 390771006 LIOZYBKUDSOLRD-UHFFFAOYSA-N 292.281 3.688 0 40 CHAB C[C@@H](Sc1ccccc1NC(=O)CC(C)(C)C)C(=O)O 8732925 AOLQEAKVNZSUKW-SNVBAGLBSA-N 295.404 3.627 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 32779884 GLANUJZDWUSLJY-SNVBAGLBSA-N 276.767 3.836 0 40 CHAB CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 365125 MJRWCGZGZPZAJF-AWEZNQCLSA-N 283.371 3.963 0 40 CHAB Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1O 364781 WASBPHOSHPQQKW-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB CCc1nnc(CSc2cc(C)c3ccccc3n2)o1 32865396 YTDCLARKHQMSBF-UHFFFAOYSA-N 285.372 3.781 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1O 23713 DXZLRIRZSCXNRR-UHFFFAOYSA-N 281.233 3.663 0 40 CHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)C2CC2)[C@@H]3CCC1 105641 VUFZGYDWSOSQLG-QGZVFWFLSA-N 294.398 3.579 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 243931 XSWRGJGVJHNDDC-UHFFFAOYSA-N 272.731 3.896 0 40 CHAB Cc1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1 477751 DQAGPXQHBAXESW-UHFFFAOYSA-N 290.326 3.687 0 40 CHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2ncnn12 1401877 UIVGPGSWACZQDC-GFCCVEGCSA-N 296.374 3.562 0 40 CHAB CC1(C)C[C@](O)(Cc2ccccc2)[C@](C)(O)c2ccccc21 1744848 PCXPIXWGOMLLDR-WOJBJXKFSA-N 296.410 3.549 0 40 CHAB Cc1c(Cl)cccc1NC(=S)NC(=O)C(C)(C)C 3072143 CRHWOXPHBQVYTK-UHFFFAOYSA-N 284.812 3.508 0 40 CHAB Cc1cnc(C(=O)Oc2ccc(Cl)c3ccccc23)cn1 3329310 HQQYRGLPJMPIFC-UHFFFAOYSA-N 298.729 3.811 0 40 CHAB CCn1cc(C(=O)NCc2ccccc2)c2ccccc21 4054169 NWJNLKLBPHLUEG-UHFFFAOYSA-N 278.355 3.591 0 40 CHAB COc1cc(CNC(C)C)ccc1OC1CCCC1 4657604 VFOIAEOGUPKXJF-UHFFFAOYSA-N 263.381 3.515 0 40 CHAB CCN(C(=S)Nc1ccccc1)c1ccccc1 5422396 CGUZBKOFKLEPPX-UHFFFAOYSA-N 256.374 3.910 0 40 CHAB C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23OC(=O)C[C@]13C 5533842 NPYXMBXYLOPZQU-RKLWJJNISA-N 250.382 3.935 0 40 CHAB Cc1ccc(NC(=S)Nc2cccc(C)c2)nc1 5688850 IIRIWKMBQWBXJV-UHFFFAOYSA-N 257.362 3.507 0 40 CHAB NC(=O)C/C=C1/c2ccccc2CSc2ccccc21 6943438 ZJOVHZZXINTRHL-ZROIWOOFSA-N 281.380 3.599 0 40 CHAB O=C(CCc1nc2ccccc2s1)NC1CCCCC1 8202796 HZUGSTLVOYTPFE-UHFFFAOYSA-N 288.416 3.678 0 40 CHAB CC(=O)Nc1sccc1-c1nc2ccccc2s1 8737670 HOARXYYLYUOEPJ-UHFFFAOYSA-N 274.370 3.983 0 40 CHAB C[C@@H](CNCCc1ccc(F)cc1)c1ccccc1 10475189 ZKCWONYBMYHMMY-AWEZNQCLSA-N 257.352 3.762 0 40 CHAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)cc1 12525339 BSBLOICWFRFZKI-SNVBAGLBSA-N 299.761 3.707 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc(F)c1 12573060 QLTWBFHDVRDEQM-LXKVQUBZSA-N 281.330 3.817 0 40 CHAB O=C1[C@@H]2CC=CC[C@H]2[C@H]2c3[nH]c4ccccc4c3CCCN12 12654476 XUWVWNMIJTWBHD-RKVPGOIHSA-N 292.382 3.580 0 40 CHAB biogenic CCOc1ccc(OCC)c(NC(=O)C2CCCC2)c1 12978099 YLEHAGGCLMSZSV-UHFFFAOYSA-N 277.364 3.613 0 40 CHAB Cc1cccc(CSc2nnc(-c3ccc[nH]3)o2)c1 14108543 KGRZKFSOUJVNQS-UHFFFAOYSA-N 271.345 3.665 0 40 CHAB COc1cccc(CN2CCCCC[C@@H]2c2ccn(C)n2)c1 19291084 JURGOJFFOBXUHM-GOSISDBHSA-N 299.418 3.546 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)N1CCCCCC1 20238422 GTQIHWNZANVHLI-CYBMUJFWSA-N 263.406 3.570 0 40 CHAB CSc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1 20736229 NNPOLJFCEOTYMA-LBPRGKRZSA-N 291.401 3.556 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc(C2CCNCC2)cc1 22015236 FXVKGMPRRHBJNX-UHFFFAOYSA-N 276.380 3.501 0 40 CHAB S=c1[nH]c2ccc(OCc3ccccc3)cc2[nH]1 22051215 URZVNGKRWWMOKB-UHFFFAOYSA-N 256.330 3.804 0 40 CHAB in-vitro C[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccccc2)N1C 33645362 UYHFNMAZLZQLFT-RRQGHBQHSA-N 253.345 3.777 0 40 CHAB Clc1ccc(CNc2ccc(-n3ccnc3)nc2)cc1 37040333 HSDWHJRIIDNLBH-UHFFFAOYSA-N 284.750 3.533 0 40 CHAB Cc1ccc(Oc2ccc(NC(=O)C3CCCC3)cc2)nn1 38670781 NRMKJTHEPAKGCG-UHFFFAOYSA-N 297.358 3.706 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)CSCc2cccs2)C1 40069681 CRYNPAGUYNLJCD-NEPJUHHUSA-N 283.462 3.676 0 40 CHAB COCc1ccccc1NC(=O)N[C@@H](C)c1ccccc1 40527954 AKFXGYFXOKCOMD-ZDUSSCGKSA-N 284.359 3.716 0 40 CHAB Cc1cccc(-c2ccc(Br)cc2F)n1 45028359 HWBLUWUWPWZXRV-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB C[C@H](NC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1 45926372 OZZZCWHEGJULHH-VIFPVBQESA-N 273.298 3.929 0 40 CHAB CCSc1nc(N)cc(Nc2ccc(Cl)cc2)n1 49467491 AKKJTMCMKPLENZ-UHFFFAOYSA-N 280.784 3.568 0 40 CHAB Cn1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 62001771 JQFBIBWDPWZRBO-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic FC(F)(F)CSc1nnc(-c2c[nH]c3ccccc23)o1 74250973 GQGZQSDIZKVDAZ-UHFFFAOYSA-N 299.277 3.872 0 40 CHAB COc1cccc(-c2nc3cc(Cl)cnc3o2)c1 74328593 LIAMCRWRSUGCOX-UHFFFAOYSA-N 260.680 3.552 0 40 CHAB CC(C)Sc1ccc(-c2ccc(C(=O)O)[nH]2)cc1 76330687 OYVJPUIXQMMLAU-UHFFFAOYSA-N 261.346 3.880 0 40 CHAB Cc1ccc2cc(Cl)cc(Br)c2n1 82788283 MKVOEPYQBPNBHS-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB CC1(C)[C@H](c2ccccc2)C[C@H]1N[C@@H]1CCN2CCCC[C@H]12 96009159 BHQPCLLXCJPZFZ-WJFTUGDTSA-N 298.474 3.785 0 40 CHAB CC(C)Cc1sc(Cl)nc1C(=O)Nc1ccccn1 96223156 WGDQHHODWCCVOP-UHFFFAOYSA-N 295.795 3.642 0 40 CHAB COc1ccc([C@@H]2COc3ccc(C)cc3N2)cc1 96531268 WVSYXRRDJUDJDD-HNNXBMFYSA-N 255.317 3.549 0 40 CHAB CN(C(=O)CSC(C)(C)C)C1C2CC3CC(C2)CC1C3 97211443 PGTILRJRIOLRPU-UHFFFAOYSA-N 295.492 3.801 0 40 CHAB CSc1cccc(N(C)C(=O)c2cc(Cl)ccn2)c1 101834626 MDIKKSRCCZDHEL-UHFFFAOYSA-N 292.791 3.734 0 40 CHAB C[C@H](NN)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 199535970 YDIVICPNDAQLIJ-JTQLQIEISA-N 264.413 3.512 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2F)cc1F 199731852 AICFOAYZBMSQHG-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB O=C(/C=C/c1ccccc1Cl)N1[C@H]2C=CC[C@H]1CC2 206915023 BWLGOBRBTRGCRB-NNBBXFQRSA-N 273.763 3.673 0 40 CHAB CCCNCc1c(C)n(CCC)c2ccc(OC)cc12 223765772 SECAIWUKGHXCOO-UHFFFAOYSA-N 274.408 3.868 0 40 CHAB CC(C)CCOC(=O)c1snnc1-c1ccc(F)cc1 223840794 XCIRTCHQYIGVAY-UHFFFAOYSA-N 294.351 3.547 0 40 CHAB Cc1cnc(NC(=S)NCc2ccccc2)c(Cl)c1 223921817 PVCHNEIZEQHNIG-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB CC[C@H](C(=O)O)N(CC)c1ccc(Cl)c(Cl)c1 224995119 JIUVBIMRYCQMAO-LLVKDONJSA-N 276.163 3.683 0 40 CHAB Cc1cccc(-c2nc(-c3ccc(N)c(C)c3)no2)c1 225173611 IIGASSUBHHKXAU-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2N 245229298 SXFQJBRXNODJBV-AWCPPTIMSA-N 289.463 3.637 0 40 CHAB Oc1ccc(Br)cc1C=Nc1ccccc1 254800494 UBWNXKBHOIRKNG-UHFFFAOYSA-N 276.133 3.905 0 40 CHAB C[C@]12CC[C@@H]3[C@H](C[C@H](O)[C@]45C[C@@H]4CC[C@]35C)[C@H]1CCC2=O 257345941 NIDVKCKYZAQGOI-XBDVBVOPSA-N 288.431 3.569 0 40 CHAB Cc1ccc(-c2nn3c(C)cc(C)nc3c2C)cc1 409031583 HIIZUKFPDAZBTP-UHFFFAOYSA-N 251.333 3.630 0 40 CHAB CC[C@H](C(=O)c1ccccc1C(=O)OC)c1ccccc1 575362221 AMPCEVHDGMZSMR-AWEZNQCLSA-N 282.339 3.850 0 40 CHAB O=C(NCc1ccc(-c2cccs2)o1)c1ccsc1 575609447 VECVSJLZUAOEHM-UHFFFAOYSA-N 289.381 4.000 0 40 CHAB CC1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 64069 GRWKNHFGRSBBNZ-VOTSOKGWSA-N 263.768 3.612 0 40 CHAB CCOC(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1C 131844 INZICLZTSHHVLS-UHFFFAOYSA-N 299.157 3.664 0 40 CHAB COc1cc(OC)cc(C(=O)Nc2ccc(C)cc2C)c1 361785 QZRKLTZTJCTOHQ-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB CC(C)Oc1ccccc1Cn1c(=O)sc2ccccc21 814282 UCYPSZUJNIAEBN-UHFFFAOYSA-N 299.395 3.899 0 40 CHAB O=C(c1cnc2ccccc2c1C(F)(F)F)C(F)(F)F 2386476 UIBCVOGCVOPPSW-UHFFFAOYSA-N 293.166 3.999 0 40 CHAB CCOC(=O)c1cccc(C(=O)CCc2ccccc2C)c1 2516369 AXGYEASTDYZSMV-UHFFFAOYSA-N 296.366 3.987 0 40 CHAB O=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCCC1 2928323 SLCKLCWWABSGCX-UHFFFAOYSA-N 296.414 3.859 0 40 CHAB aggregator C[C@@]12CCO[C@H]1N(Cc1ccccc1)c1ccccc12 3999285 NCMVPGABXJTSGZ-MSOLQXFVSA-N 265.356 3.711 0 40 CHAB biogenic CC[C@@H]1C[C@H]2CCN1[C@H]([C@@H](O)c1ccnc3ccccc13)C2 5138741 YGSPYMMGHMAUNZ-QZCPTFHJSA-N 296.414 3.531 0 40 CHAB CC(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1 5664724 FLBMKFDKDSWBQG-OAHLLOKOSA-N 260.720 3.993 0 40 CHAB CCSC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1 5875066 MXUDMDGTBPTUJI-HNNXBMFYSA-N 295.411 3.844 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 6067621 VMYTXBKVYDESSJ-USOAJAOKSA-N 288.431 3.879 0 40 CHAB biogenic,in-vitro COc1ccc(NC(=S)Nc2cc(C)ccc2F)cc1 6965471 QVNPUCCDDVYWFL-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1F 7146369 QTHXSKCKIFSQJG-UHFFFAOYSA-N 293.338 3.837 0 40 CHAB Cc1ccc(C(=O)CCC(=O)Nc2ccccc2)cc1C 7914044 QEPMXGLCJVECIW-UHFFFAOYSA-N 281.355 3.905 0 40 CHAB Cc1ccc(COc2ccc(C(=S)N(C)C)cc2)cc1 9188226 LTZNOTSFWJOCQJ-UHFFFAOYSA-N 285.412 3.811 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)c2ccccc2)c1C 9316958 HEDVJMMQKKZLLQ-ZDUSSCGKSA-N 298.386 3.667 0 40 CHAB Cc1cc(NC(=O)c2ccc(Cl)s2)n(C(C)C)n1 11695168 RKWFWINWDPWULF-UHFFFAOYSA-N 283.784 3.740 0 40 CHAB Cc1ccc(F)c(NC(=S)Nc2ccccc2)c1 13840236 ATRFVXWAGLCXOE-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCc2ccccc21 14013381 NHJYTBJHUCHQAD-GOSISDBHSA-N 295.382 3.742 0 40 CHAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cccc(Cl)c1 19287490 WSCOFWULFHIQNJ-WMLDXEAASA-N 299.805 3.700 0 40 CHAB Nc1cc(Cl)ccc1NC(=O)c1cc2ccccc2o1 19471427 DVOOUWLQNPMHCB-UHFFFAOYSA-N 286.718 3.921 0 40 CHAB CCC(C)(C)C(=O)Nc1nc2c(C)cccc2s1 19897677 GUHRHUZMGNGURF-UHFFFAOYSA-N 262.378 3.979 0 40 CHAB Cc1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)cc1 20938762 AMBNUICJHUGAJQ-UHFFFAOYSA-N 278.355 3.749 0 40 CHAB CC(C)Oc1ccc(CNC(=O)c2ccccc2F)cc1 22513384 JKRGUHOVJVSERG-UHFFFAOYSA-N 287.334 3.543 0 40 CHAB CC(C)Oc1cccc(CNCc2ccccc2)c1 32108818 GMFWDAXLAJXTNA-UHFFFAOYSA-N 255.361 3.764 0 40 CHAB O=C(COc1ccccc1Br)c1ccccc1 33506653 VMCDJFHHWCZFIK-UHFFFAOYSA-N 291.144 3.711 0 40 CHAB Clc1ccc(CNCCCc2nc3ccccc3[nH]2)cc1 35287213 NDLVRBXFWWAUTQ-UHFFFAOYSA-N 299.805 3.939 0 40 CHAB C[C@H](N[C@@H](C)C1CC1)c1cccc(Br)c1 35733358 TZTXPIVIGYUQSH-UWVGGRQHSA-N 268.198 3.898 0 40 CHAB CCCC(=O)Nc1nc(C)c(Cc2ccccc2)s1 36639186 KCGQZLDZGCCGNN-UHFFFAOYSA-N 274.389 3.781 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC2CCCCC2)o1 40012152 KEDCQPLLXNZWJB-DOMZBBRYSA-N 275.392 3.785 0 40 CHAB COc1ccc(NC(=O)N(CC(C)C)C(C)C)cc1 40153506 VUJSNGCZXJXRTI-UHFFFAOYSA-N 264.369 3.594 0 40 CHAB Clc1ccc(OCC[C@@H]2CCCNC2)c(Cl)c1 42772298 LSJKZJIHVUYTMZ-JTQLQIEISA-N 274.191 3.762 0 40 CHAB O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)C1CC1 43796862 GGSGXXLVTMCOAS-UHFFFAOYSA-N 289.338 3.645 0 40 CHAB Cc1ccc2c(NC(=O)/C=C/c3ccco3)cccc2n1 44442260 TXJYDNXHSKAQDQ-CSKARUKUSA-N 278.311 3.788 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cn1 45777549 WNNBJJAKDQDUKF-GFCCVEGCSA-N 280.327 3.627 0 40 CHAB COCc1ccccc1NC(=O)N[C@H]1CCC[C@H](C)C1 46031585 NLSWIOXDQCCKOO-JSGCOSHPSA-N 276.380 3.533 0 40 CHAB C[C@H](C1CC1)N(Cc1nc(-c2cccs2)no1)C1CC1 46060049 IYBNJQLQTMMMBW-SNVBAGLBSA-N 289.404 3.561 0 40 CHAB CN(C(=O)c1cnc(-c2ccccc2Cl)s1)C1CC1 50574284 QTWGCBBYAWLEPU-UHFFFAOYSA-N 292.791 3.698 0 40 CHAB c1ccc(CN(Cc2ccco2)C2CCCC2)nc1 64805523 IQSPLNWGBWATHV-UHFFFAOYSA-N 256.349 3.619 0 40 CHAB CC[C@H](C)C(=O)NCc1ccc(Oc2ccccc2)nc1 69322752 KVWOESZPMFLXGQ-ZDUSSCGKSA-N 284.359 3.536 0 40 CHAB N[C@H]1C[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 70453079 GKVNCHFBXNLICC-MNOVXSKESA-N 267.250 3.780 0 40 CHAB O=Cc1c(-c2cccc(Br)c2)noc1Cl 71976719 BLKSACOHQRMDNK-UHFFFAOYSA-N 286.512 3.570 0 40 CHAB Cc1ccccc1-c1cc(-c2cccs2)nc(N)n1 71978075 SYICBYMTHZWKRM-UHFFFAOYSA-N 267.357 3.763 0 40 CHAB CCCN1CCCC[C@@H]1c1cccnc1NC1CCC1 72213916 WIIPSPUJVRHJEB-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB Cc1ccccc1-c1nnc(CN2CCC[C@@H]3CCC[C@@H]32)o1 75769253 UPWMSCPALJQHEC-HOCLYGCPSA-N 297.402 3.810 0 40 CHAB C[C@H](CC(=O)Nc1ccccc1)NC[C@H](C)c1ccccc1 78739027 SEIJXLZAUXTPIB-JKSUJKDBSA-N 296.414 3.797 0 40 CHAB c1ccc(CSc2nccn2Cc2ccccn2)cc1 79037960 TXAMILMJNDRVAR-UHFFFAOYSA-N 281.384 3.619 0 40 CHAB C[C@@H](Cc1ccoc1)NC(=O)c1ccc2ccccc2c1 84835135 MTBYBQSXCUSYAP-ZDUSSCGKSA-N 279.339 3.794 0 40 CHAB CC(C)c1cc(CNC(=O)N(C2CC2)[C@@H](C)C(C)C)on1 86398909 RNACWZOMDRDHEU-LBPRGKRZSA-N 293.411 3.517 0 40 CHAB Cn1cc(-c2csc(C(C)(C)c3ccccc3)n2)cn1 92227309 ZABGWCSYIBLYMG-UHFFFAOYSA-N 283.400 3.870 0 40 CHAB CCO[C@@H](C)c1noc(-c2coc3ccccc23)n1 95397750 MMMWHBSTQBSTPM-VIFPVBQESA-N 258.277 3.580 0 40 CHAB Cc1ccc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1Cl 95634093 GXSXKYDUDCQNCK-NEPJUHHUSA-N 280.751 3.722 0 40 CHAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc1C 103149166 YLMYQOXLBCWUBR-VZZFWQQMSA-N 277.433 3.919 0 40 CHAB COc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1C 225134887 ZNOHNVVAVZURRN-CQSZACIVSA-N 283.371 3.537 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)C(C)C 225218031 CALHOCRMTCTBBT-LSDHHAIUSA-N 277.408 3.622 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccc(OC)c(Cl)c1 225381651 PAZQMJYFPFDWSM-SECBINFHSA-N 286.828 3.824 0 40 CHAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 225632840 XLHHRVLSCFRCTK-CXAGYDPISA-N 291.391 3.619 0 40 CHAB O=C(O)C1(c2ccc(-c3ccccc3)cc2)CCC1 258263205 BEBLNPQUWQGSFA-UHFFFAOYSA-N 252.313 3.860 0 40 CHAB CCCCN(C)C(=O)Nc1cc(SC)ccc1C 272150073 ZWKSTYGOYAPNTH-UHFFFAOYSA-N 266.410 3.981 0 40 CHAB CC(C)Oc1cccc(C(=O)COCc2ccccc2)c1 382674293 JOZFSGDXFWGVSB-UHFFFAOYSA-N 284.355 3.873 0 40 CHAB CCCC[C@@H](C(=O)c1ccc(F)cc1)N1CCCC1 601024742 BCJXLSGKMNRRKO-HNNXBMFYSA-N 263.356 3.663 0 40 CHAB in-vitro O=C(CCc1ccccc1)N1CC[C@H](c2ccsc2)C1 675008360 UKQBIOLMZYFYEK-HNNXBMFYSA-N 285.412 3.697 0 40 CHAB CCCCCc1ccc(-c2cc(C(=O)O)no2)cc1 1857794085 JQJGJCNXXOAWGC-UHFFFAOYSA-N 259.305 3.773 0 40 CHAB CCN(CC)C(=S)SCc1cn2cccc(C)c2n1 78807 VLQSBFDBWVEOAW-UHFFFAOYSA-N 293.461 3.503 0 40 CHAB C[C@H](O)c1nc2ccccc2n1[C@@H](C)c1ccccc1 99425 KXJMPGXUOJCYDN-STQMWFEESA-N 266.344 3.699 0 40 CHAB O=C1O[C@@H](Nc2ccc3ncccc3c2)c2ccccc21 100256 GTEDHMHLVXBEGM-MRXNPFEDSA-N 276.295 3.516 0 40 CHAB COc1ccc(C(=O)Nc2cccc(Cl)c2)c(OC)c1 368770 GVSAHDMYYCKWHY-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 521979 CSCSXTJTKGAIFP-UHFFFAOYSA-N 286.400 3.717 0 40 CHAB CCN(CC)Cc1ccc(NC(=O)Cc2ccccc2)cc1 568242 QDTDSGHHEVSAEL-UHFFFAOYSA-N 296.414 3.710 0 40 CHAB CCN(CC)Cc1ccc(NC(=O)/C=C/c2ccco2)cc1 568296 KAXGXOFEAXDOHQ-VAWYXSNFSA-N 298.386 3.773 0 40 CHAB CC(C)NCCCCCNc1cc(O)cc2cccnc12 1653205 FCQZEZCNARMPGO-UHFFFAOYSA-N 287.407 3.521 0 40 CHAB CCC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1Cl 1874014 ANUOYPJLLANBOF-QWRGUYRKSA-N 297.782 3.806 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)N(CC)Cc1ccccc1 2734732 WBIJUNIEEREOEE-SFHVURJKSA-N 297.398 3.893 0 40 CHAB COC(=O)c1cc2ccccc2nc1-c1ccc(F)cc1 3187186 NCKUCSMXSVWGFM-UHFFFAOYSA-N 281.286 3.828 0 40 CHAB CCC(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1 4249053 DCBZGDMUCPAPHU-UHFFFAOYSA-N 285.372 3.720 0 40 CHAB Cc1ccccc1-c1nn2c(-c3cccs3)nnc2s1 4939143 SWNWIZRMLPKHEG-UHFFFAOYSA-N 298.396 3.890 0 40 CHAB CCC[C@@H](C)NC(=O)CSCc1cc(C)cc(C)c1 6945436 SQDGADQUDHIBGM-CQSZACIVSA-N 279.449 3.841 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 7069099 WGRCVPHNZVOANE-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB COc1ccccc1NC(=O)c1ncc(-c2ccccc2)o1 9321321 QFURBCVLTADSIF-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB Cc1ccc(CNCc2cn[nH]c2-c2ccc(C)cc2)cc1 10003176 DKLMBDNLCRYFCH-UHFFFAOYSA-N 291.398 3.983 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)NCCCc1ccccc1 10110164 RKNCNHXXYLHGOG-HNNXBMFYSA-N 299.439 3.916 0 40 CHAB Cc1ccc2nc(NC(=O)C[C@H]3C=CCC3)sc2c1 13005782 KTQQAYZROCNIBC-NSHDSACASA-N 272.373 3.900 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccccc1 13021912 SFXJJFNLWQDWLH-ZDUSSCGKSA-N 254.333 3.912 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1 13187192 PBJRVWFYZLYQCZ-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB c1cc2c(c(-c3nccc4c3CCCC4)n1)CCCC2 13208350 ZONICJAYOGQYLN-UHFFFAOYSA-N 264.372 3.901 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2ccccn2)cc1Cl 13331879 STYNYUDLESLZJV-LLVKDONJSA-N 289.766 3.926 0 40 CHAB CC1CCN(C(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1 13689149 VTFFEUAPXATYRH-OAHLLOKOSA-N 297.398 3.866 0 40 CHAB COc1cccc(NC(=S)Nc2ccc(C)cc2)c1 13788550 MYDXEGPVQPYGTP-UHFFFAOYSA-N 272.373 3.813 0 40 CHAB CC(=O)C[C@@H](C)CC(=O)c1ccc(Br)cc1 16756370 GXIZPWDFYZDAMM-SECBINFHSA-N 283.165 3.637 0 40 CHAB CCCCN[C@H](C)c1ccccc1Br 19907006 PDCQELOYFSUYFS-SNVBAGLBSA-N 256.187 3.900 0 40 CHAB Cc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 19926783 GWUACBHZFJUMQB-INIZCTEOSA-N 287.359 3.913 0 40 CHAB O=C1N=N[C@@H](c2ccc(F)c(F)c2)c2ccccc21 19943895 SRBSUHOLLFLDGD-ZDUSSCGKSA-N 258.227 3.660 0 40 CHAB CCCC(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 20158347 PRMCAAPCVAGHAD-UHFFFAOYSA-N 296.326 3.939 0 40 CHAB Cc1ccc(-c2cc3c(Cl)nccn3n2)cc1C 21657746 HDMXIXNHAQKAMU-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB COCc1ccc(C(=O)Nc2cccc3cccnc23)cc1 23990229 UFMSABYXTWGQGT-UHFFFAOYSA-N 292.338 3.634 0 40 CHAB O=C(Cc1ccsc1)Nc1ccc(F)cc1Cl 24576329 SIXRRQWXIIHQSM-UHFFFAOYSA-N 269.728 3.722 0 40 CHAB Cc1ccc(OCCn2ncc3ccccc32)c(C)c1 35606212 HGVRQTPNVQYDEI-UHFFFAOYSA-N 266.344 3.732 0 40 CHAB C/C=C/C=C/C(=O)Nc1ncc(-c2ccccc2)s1 36395915 FADZIOMZOBJPLX-XPQLPGEHSA-N 270.357 3.881 0 40 CHAB CN(Cc1ccccc1)c1ccc(N)cc1C(F)(F)F 37754376 YPEYYWJONQFGTC-UHFFFAOYSA-N 280.293 3.924 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 38754477 OLKIPIBLUHKJLB-OAHLLOKOSA-N 291.297 3.761 0 40 CHAB COc1ncc(C(F)(F)F)cc1-c1cccc(F)c1 47204811 CPJANAZECHYLOH-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB C[C@@H](Sc1ncn[nH]1)c1ccc(OC(F)(F)F)cc1 48987407 VBRITQZZBGHIBU-SSDOTTSWSA-N 289.282 3.557 0 40 CHAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2C 49728935 ICOONMMULUDBHZ-UHFFFAOYSA-N 294.354 3.829 0 40 CHAB O=C(c1c[nH]c2ccccc12)[C@H](NC1CC1)c1ccccc1 57388187 VWFGESQTNNAWJA-GOSISDBHSA-N 290.366 3.844 0 40 CHAB COc1ccc([C@H]2NN=C(c3ccccc3)S2)c(C)c1 59409007 DURTUBRAFUNNPT-INIZCTEOSA-N 284.384 3.700 0 40 CHAB c1ccc(SCc2ccc(CN3CCOCC3)cc2)cc1 68606136 QHPWZNQESRMXMU-UHFFFAOYSA-N 299.439 3.811 0 40 CHAB CNc1ncc([C@H]2CCCN2Cc2ccccc2)cc1C 72218970 WDQOWOMHHOMROT-QGZVFWFLSA-N 281.403 3.769 0 40 CHAB CN1CCC[C@@H](c2cnc(-c3ccccc3Cl)cn2)C1 72382919 HGACKBMYPPLRHE-GFCCVEGCSA-N 287.794 3.606 0 40 CHAB O=C1CCC[C@@H](c2ccc(Br)cc2)C1 77435417 OWJFSGNEZCNGJL-SNVBAGLBSA-N 253.139 3.676 0 40 CHAB Cc1ccoc1C(=O)Nc1cc(Br)ccc1F 78883181 WHYAVWWJIORGGR-UHFFFAOYSA-N 298.111 3.742 0 40 CHAB Cc1ccc2[nH]c(=O)cc(Nc3ccccc3)c2c1 91244433 PRROSOADYYBZFH-UHFFFAOYSA-N 250.301 3.580 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(Cl)nc2)[C@@H]1C 95442127 FOCMCWDVQRCIOP-SVCNHYAHSA-N 292.810 3.689 0 40 CHAB CC[C@@H]1CCC[C@H](N[C@@H](C)C(C)(C)CN(C)C)C1 95940733 BLKAIVWFSBZCFP-ZNMIVQPWSA-N 254.462 3.521 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CC(=O)Oc1ccccc1 100366789 HWMGNZIDLAPOLP-GLJUWKHASA-N 286.371 3.624 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101067950 RJKCLOQTRSQISA-NZBPQXDJSA-N 287.428 3.796 0 40 CHAB CCN(Cc1cccs1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 105764280 GNRLVHLUUXFNJO-MELADBBJSA-N 277.433 3.923 0 40 CHAB S=C(Nc1ccc2ncccc2c1)NC1CCCCC1 130559725 DSLMSFDILFEZTQ-UHFFFAOYSA-N 285.416 3.854 0 40 CHAB CC[C@H](NC(=O)Cc1cccs1)c1ccccc1C 222809806 JMJCTGXXACGXBE-HNNXBMFYSA-N 273.401 3.867 0 40 CHAB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)(C)C(=O)O 223204652 IAACUFUBVCJTQL-LBPRGKRZSA-N 275.392 3.950 0 40 CHAB Cc1ccccc1CNC(=S)Nc1cccc(F)c1 225308980 WPEXANBTKUQMIU-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB COc1cc2ccccc2cc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 250389272 RDBQQPIVPPMUHC-YLQAJVPDSA-N 295.382 3.767 0 40 CHAB CC(C)(C)c1cc(-c2ccncc2)cc(C=O)c1O 306146050 QJJYBELQAHABAO-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB O=Cc1cc(Cl)c(Cl)cc1Br 575678997 MDSVWBPHVOMMJG-UHFFFAOYSA-N 253.910 3.568 0 40 CHAB COc1cccc2c(=O)n(Cc3ccc(Cl)cc3)ccc12 618255040 ARKIHODVVPUPDR-UHFFFAOYSA-N 299.757 3.712 0 40 CHAB Cc1cc(C)c2nc(N3CC[C@H](CF)C3)sc2c1 1640330365 PUUZTDCRXGMWGO-LLVKDONJSA-N 264.369 3.709 0 40 CHAB COC(=O)c1ccc(Oc2ccc(C(=O)C3CC3)cc2)cc1 1889103127 XBUDRGINVYBKHB-UHFFFAOYSA-N 296.322 3.858 0 40 CHAB Cc1c(O)ccc(NC(=O)c2ccc(Cl)cc2)c1C 79521 LROQHCQUHMHYAO-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB O=C(Nc1ccccc1OC(F)(F)F)c1cccc(F)c1 287161 HQMSPKKMRQZLNJ-UHFFFAOYSA-N 299.223 3.977 0 40 CHAB CCCC(=O)Nc1nc2cc(Cl)c(C)cc2s1 569535 RDHRFRDAZSYAEH-UHFFFAOYSA-N 268.769 3.997 0 40 CHAB Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 570416 OWRSBTIPYXZNEZ-UHFFFAOYSA-N 269.388 3.550 0 40 CHAB c1ccc(N2N=N[C@@H]3CCC[C@@]32N2CCCCC2)cc1 1720276 ZWPIBSWGWNALCM-CVEARBPZSA-N 270.380 3.609 0 40 CHAB CCCCOP(=O)(NC(C)C)OCCCC 2247517 GXHYFJHOAHWMMG-UHFFFAOYSA-N 251.307 3.726 0 40 CHAB Cc1ccc(C)c2sc(NC(=O)C(C)(C)C)nc12 4331279 HCNLOCVLIPXCSM-UHFFFAOYSA-N 262.378 3.898 0 40 CHAB COc1ccc(-c2c(C)noc2-c2ccc(O)cc2O)cc1 5423451 DVACAEYJLSVVCC-UHFFFAOYSA-N 297.310 3.737 0 40 CHAB NCc1ccc(-c2ccc(Br)cc2)cc1 5763414 YHABDSDHNSJSSW-UHFFFAOYSA-N 262.150 3.575 0 40 CHAB CCc1ccc2occ(CC(=O)NCc3ccccc3)c2c1 6809754 LBVUPINUXVGSKA-UHFFFAOYSA-N 293.366 3.854 0 40 CHAB C[C@H](OC(=O)Cc1noc2ccccc12)c1ccccc1 7865368 AHRKAWRRMVGOLY-LBPRGKRZSA-N 281.311 3.675 0 40 CHAB CCCCCC(=O)Nc1ccccc1S[C@@H](C)C(=O)O 8732879 CHMMVMYWTRMTSY-NSHDSACASA-N 295.404 3.771 0 40 CHAB Cc1nc(NC(=O)CCc2c[nH]c3ccccc23)sc1C 9363914 FNOQAXYHWQGPOA-UHFFFAOYSA-N 299.399 3.813 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)nc1 9368094 PITZLNRHFSFEKC-UHFFFAOYSA-N 295.317 3.638 0 40 CHAB Fc1cccc(C2=NN=C(Nc3ccccc3)SC2)c1 9595675 GJHKOTZHKRWTAR-UHFFFAOYSA-N 285.347 3.745 0 40 CHAB Cc1nc(C2(c3ccc(Cl)cc3)CC2)sc1C(=O)O 11883776 KLACMPKSQWYQNE-UHFFFAOYSA-N 293.775 3.883 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 12807994 KXKHOBAJJPWXNJ-UHFFFAOYSA-N 251.329 3.736 0 40 CHAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccsc1 12821506 FMLKTYHACGRTPA-ZJUUUORDSA-N 277.311 3.599 0 40 CHAB CC(=O)c1cc(Cl)ccc1OCc1c(C)noc1C 12912635 REAPZFPHWHODSH-UHFFFAOYSA-N 279.723 3.726 0 40 CHAB Cc1ccc(NC(=O)N2CCCC[C@H]2C)cc1F 13320313 XKYMGGWHPHMHIE-LLVKDONJSA-N 250.317 3.540 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 13709310 WBQSAQLUZFLXIW-KBPBESRZSA-N 285.387 3.912 0 40 CHAB CC(C)(C)C(=O)CSc1nnc(-c2cccs2)o1 19809882 KSVQDPIAYZKJGO-UHFFFAOYSA-N 282.390 3.505 0 40 CHAB Cc1c(-c2ccc(NC(=O)C(C)C)cc2)nc2ccccn12 24002967 XOIYHOIPGCLMBM-UHFFFAOYSA-N 293.370 3.904 0 40 CHAB CC(C)(C)C(=O)Nc1ccc(OC2CCCC2)cc1 29377511 FEJQZHGMKCTWCN-UHFFFAOYSA-N 261.365 3.993 0 40 CHAB O=C(Nc1ccccc1N1CCCCCC1)c1ccoc1 29847981 NJRNCFXOXIQMLM-UHFFFAOYSA-N 284.359 3.912 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)N(C)C1CCCCC1 30752502 PBJUCIOEJNCTPT-CYBMUJFWSA-N 277.433 3.958 0 40 CHAB Cc1cccc(NC(=O)CSc2nc(C)c(C)o2)c1C 32691966 FKLWMCJAZLSFRN-UHFFFAOYSA-N 290.388 3.639 0 40 CHAB CN(C)c1ccc(NC(=O)c2ccoc2)c(C(F)(F)F)c1 36759525 JDWJLNINFAWTCO-UHFFFAOYSA-N 298.264 3.617 0 40 CHAB COc1ccc([C@@H]2CC(=O)c3ccccc3C2)cc1 39203608 FKHGBDZJCJCGQW-AWEZNQCLSA-N 252.313 3.608 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Nc2cccc(F)c2)o1 40095870 LRJPWNYFTMDGIC-JTQLQIEISA-N 262.284 3.610 0 40 CHAB Clc1cccnc1SCc1nc(-c2ccco2)no1 40494174 KUNRFRNXPBTNON-UHFFFAOYSA-N 293.735 3.670 0 40 CHAB CCCCOCCOc1ccccc1Br 42340847 AHJWPYAVPCIKAJ-UHFFFAOYSA-N 273.170 3.645 0 40 CHAB in-vitro CCCCOc1ccc(C(=O)c2cccc(C)n2)cc1 45028497 VFJXMPOHCJOCQK-UHFFFAOYSA-N 269.344 3.800 0 40 CHAB CCc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1 45888518 AKCKTOKACLMPHW-UHFFFAOYSA-N 268.360 3.700 0 40 CHAB c1ccc2oc(CN3CCC[C@@H]4CCCC[C@@H]43)nc2c1 52660917 KSVLOICKWMICNZ-ZFWWWQNUSA-N 270.376 3.982 0 40 CHAB CC(C)(C)OC(=O)NCC1CCN(C2CCCCC2)CC1 67801195 KALPCHIUXSWUCQ-UHFFFAOYSA-N 296.455 3.556 0 40 CHAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCCCC1 69663341 HGALTTQWNBJOCW-UHFFFAOYSA-N 286.400 3.745 0 40 CHAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 71840046 WTSPGRKRJWUKPT-WFASDCNBSA-N 282.387 3.530 0 40 CHAB Cc1nc(C)c([C@H](C)N(C)C(=O)C2CCCCC2)s1 71883146 UFLRWMLMYNMRQK-NSHDSACASA-N 280.437 3.860 0 40 CHAB CCCN1CCCC[C@H]1c1cnc(S)cc1C 72218339 SNRKKRXCMHQFNR-ZDUSSCGKSA-N 250.411 3.616 0 40 CHAB CC(C)c1ccc2oc(C3=CCN(C)CC3)nc2c1 73635997 YWQBBBFWYSHALN-UHFFFAOYSA-N 256.349 3.670 0 40 CHAB O=C(O)/C=C/c1cc(C(F)(F)F)ccc1Br 83324619 TZQZJAMAYAOTSG-DAFODLJHSA-N 295.054 3.566 0 40 CHAB CC(C)c1ccc(C(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 95634420 SGAUHRAKTYYKKX-LSDHHAIUSA-N 274.360 3.884 0 40 CHAB Cc1cc([C@H](C)Nc2ncnc3ccncc23)c(C)s1 97020927 ZACCNVDVJPHQDD-JTQLQIEISA-N 284.388 3.876 0 40 CHAB Fc1ccc(-c2csc([C@@H]3CCCO3)n2)c(F)c1 136493745 RALPLXVGIKVZSU-LBPRGKRZSA-N 267.300 3.940 0 40 CHAB S=c1[nH]cc(-c2ccccc2Br)o1 199791553 ABPFOIMGQSUFBU-UHFFFAOYSA-N 256.124 3.767 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3cccc(N)c3)o2)C1 226301069 HVLFFPDGHCAEGM-BETUJISGSA-N 298.386 3.647 0 40 CHAB O=C(O)[C@H]1C=Cc2ccc(cc2)CCc2ccc(cc2)C1 254902806 GKYBFAQZOMLALH-SFHVURJKSA-N 278.351 3.742 0 40 CHAB Cc1cnc([C@@H]2CCCN(C(=O)c3ccsc3)C2)s1 257211522 BZFFIOUKQFDZCF-LLVKDONJSA-N 292.429 3.533 0 40 CHAB Cc1c(C(C)C)[nH]c2ccc(Br)cc2c1=O 685938302 QDHDPBGXQUPQCQ-UHFFFAOYSA-N 280.165 3.722 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(OC)c1 29910 BWFSLFAIZRXQIP-UHFFFAOYSA-N 299.370 3.827 0 40 CHAB biogenic,in-vitro Cc1sc2ncn3c(C)nnc3c2c1-c1ccccc1 1016319 RNOXTEHLJDJZBZ-UHFFFAOYSA-N 280.356 3.623 0 40 CHAB O=C1O[C@H](c2ccccc2)C[C@H]1Cc1ccccc1 1597594 FFDIWTPEXKMPOY-CVEARBPZSA-N 252.313 3.534 0 40 CHAB CC(C)Nc1ncnc2sc3c(c12)CC[C@@H](C)C3 1972851 BCDGHCARLNLHIP-SECBINFHSA-N 261.394 3.636 0 40 CHAB O=C(Nc1ccc(OCc2ccccc2)cc1)C(F)(F)F 2506560 UUUDBNXLHYOQJA-UHFFFAOYSA-N 295.260 3.766 0 40 CHAB C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc(Cl)cc1 2695388 PRBSYTHVZHLWMA-JTQLQIEISA-N 294.709 3.852 0 40 CHAB CCOc1cc2c(cc1OC)CCN(C)[C@@H]2CC(C)C 3847397 SVKASDAOKTXBIR-OAHLLOKOSA-N 277.408 3.669 0 40 CHAB biogenic O=C1CCC[C@@H](c2ccc([C@@H]3CCCC(=O)C3)o2)C1 3851986 DEMUJGLWNMRSDG-VXGBXAGGSA-N 260.333 3.733 0 40 CHAB biogenic C[n+]1c(-c2ccccc2)sc2c1-c1ccccc1C2 4263367 NOULZZSZMNRZOI-UHFFFAOYSA-N 264.373 3.811 0 40 CHAB CCN1c2ccccc2N(C)[C@]1(C)c1ccccc1 4599919 QWPMTQMHWWDYRA-KRWDZBQOSA-N 252.361 3.836 0 40 CHAB in-vivo C[C@H](CNC[C@H]1CCCO1)COc1cccc2ccccc12 4811914 VOHCIXMVPQJCBT-NVXWUHKLSA-N 299.414 3.623 0 40 CHAB CCN(CC)c1ncnc2c1oc1ccc(Cl)cc12 5215999 UQYDTDKDZPRYAN-UHFFFAOYSA-N 275.739 3.876 0 40 CHAB COc1ccc(/C=C/c2nc3c(o2)C=CCC3)cc1 5513459 IMQCNQYLNGPJOD-DHZHZOJOSA-N 253.301 3.813 0 40 CHAB CCOc1cc2c(cc1[C@H](C)c1ccccc1)OCO2 5863220 YJZXWEFOIAJZRY-GFCCVEGCSA-N 270.328 3.966 0 40 CHAB CCOc1cccc(C(=O)Nc2ccc(C)cc2C)c1 5874642 GJZYVVMUDKSQDV-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCOc1cc(CO)ccc1OCc1ccccc1Cl 6538021 FVXROAQXCHMESZ-UHFFFAOYSA-N 292.762 3.810 0 40 CHAB c1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 7989628 WSCFVGVXYLOEFU-UHFFFAOYSA-N 291.379 3.908 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccccc1CC 13821443 VXHIGQHFYXXTDQ-LLVKDONJSA-N 250.411 3.724 0 40 CHAB CC[C@H](C)NC(=O)COc1ccc(Cl)c2ccccc12 14196601 GGGUBSRPOXDGOJ-NSHDSACASA-N 291.778 3.787 0 40 CHAB Fc1cccc(Cl)c1CSC1=N[C@@H]2CCCC[C@@H]2N1 14196648 UTXOXQSLOVHAGX-BETUJISGSA-N 298.814 3.983 0 40 CHAB COc1ccc(CN2COc3ccc(Cl)cc3C2)cc1 19809249 ZNPJEABWPPMXTH-UHFFFAOYSA-N 289.762 3.701 0 40 CHAB COc1ccc([C@@H]2CCCN2C(=O)c2occc2C)cc1 21624428 AGHUDKCWIKEZDW-HNNXBMFYSA-N 285.343 3.574 0 40 CHAB Cc1cc(Oc2ccc(Br)cc2)nc(C)n1 24971158 XTKIUOYPPCPZDH-UHFFFAOYSA-N 279.137 3.648 0 40 CHAB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCCCC1 28219544 QGYXTULMNWVXIG-SAPNQHFASA-N 281.355 3.833 0 40 CHAB CC[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28221234 SZOJWICQYZRRIJ-KBPBESRZSA-N 270.376 3.701 0 40 CHAB C[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 28576401 IBQHIMPRIGYXAW-GFCCVEGCSA-N 265.784 3.531 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)Cc1cccc(F)c1 30547995 SSDRVDZQIMBFMF-NSHDSACASA-N 289.375 3.576 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)c1ccc2cc[nH]c2c1 32480189 QFNKGUGQLAUCQU-ZDUSSCGKSA-N 278.355 3.967 0 40 CHAB FC(F)(F)c1cccc(Oc2ccc(Cl)nn2)c1 34429752 SKTGNZGOJDGFHX-UHFFFAOYSA-N 274.629 3.941 0 40 CHAB CCCN[C@H](c1cccnc1)c1ccc(F)c(C)c1 37762130 GMWHHVFUOYFQOD-INIZCTEOSA-N 258.340 3.618 0 40 CHAB in-vitro CC(C)OCc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 40541857 IMCMFOPKZSCNJD-QGZVFWFLSA-N 287.403 3.584 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccccc2F)C1 43324262 WWXGQTXEDKCAQW-GFCCVEGCSA-N 294.370 3.637 0 40 CHAB O=C(O)c1ccc(-c2ccc(Cl)cc2)c(F)c1 43578244 IVJCRNXCSBLDNU-UHFFFAOYSA-N 250.656 3.844 0 40 CHAB in-vitro O=C(O)/C=C/c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 44214408 RFOZHBFXSQPSEN-SOFGYWHQSA-N 298.216 3.943 0 40 CHAB COc1nc(C(F)(F)F)ccc1-c1ccccc1 47211986 YDDCAYRIOBTKNR-UHFFFAOYSA-N 253.223 3.776 0 40 CHAB C[C@@H](NC(=O)c1cccs1)c1ccc2c(c1)CCC2 53387800 FCLQYXIVRKPTOA-LLVKDONJSA-N 271.385 3.728 0 40 CHAB CC(=O)c1ccc(-c2ccc(C(=O)O)cc2)c(C)c1 54965460 JORBZRSUCASUMA-UHFFFAOYSA-N 254.285 3.563 0 40 CHAB Cc1cc(NC(=O)CS[C@H](C)c2ccccc2F)on1 58245040 NDSNTSQHPGDMBV-SNVBAGLBSA-N 294.351 3.555 0 40 CHAB Cc1cccc(Oc2cncc(Br)c2)c1 66348333 RBJSPIYPJZNHCR-UHFFFAOYSA-N 264.122 3.945 0 40 CHAB Cc1nc(C(=O)O[C@H](C)C2CCCCC2)cs1 67800675 WYYKVYOJDYJHGK-SECBINFHSA-N 253.367 3.577 0 40 CHAB O=C(N1CCCCCC1)C1(c2ccccc2)CCCC1 70270010 PHKUFIOFDSFCJW-UHFFFAOYSA-N 271.404 3.901 0 40 CHAB Cc1ccccc1Cc1cccc(C2CCN(C)CC2)n1 72348566 CUDKZPWLNYHZDV-UHFFFAOYSA-N 280.415 3.790 0 40 CHAB CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1 75093515 PFFFREGSLOBSEH-CHWSQXEVSA-N 283.824 3.744 0 40 CHAB CCn1nc(C)c(NCc2cc(C)c(OC)c(C)c2)c1C 89300225 XQMHASSLZYDQQL-UHFFFAOYSA-N 287.407 3.757 0 40 CHAB CCOCC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 89986656 FKZJBTVDYLHAOT-UHFFFAOYSA-N 275.392 3.621 0 40 CHAB CC(C)CSC[C@H](C)N[C@@H](C)c1ccncc1 95419214 JNGLMTALZAJMGS-STQMWFEESA-N 252.427 3.510 0 40 CHAB C[C@@H](N[C@H]1CCCCc2ccccc21)c1cnn(C)c1 95421534 JCRHAKYNJRCVAR-DYVFJYSZSA-N 269.392 3.538 0 40 CHAB Cc1ccc(NC(=O)c2nn(C)c3ccccc23)c(Cl)c1 96096702 FHMJPZKBIUVMAR-UHFFFAOYSA-N 299.761 3.787 0 40 CHAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccco1 96231998 WMNANIODWFKXRV-AWEZNQCLSA-N 298.317 3.707 0 40 CHAB Cc1cccnc1[C@H](NC(=O)[C@H]1CC=CCC1)C(C)C 96406300 RYXIOAMFPZELDO-LSDHHAIUSA-N 272.392 3.560 0 40 CHAB CC[C@H](C(=O)O)N1c2ccccc2[C@@H](C)CC1(C)C 223197431 WZRFSTIICCCRQH-WCQYABFASA-N 261.365 3.642 0 40 CHAB CCCNC(=S)Nc1ccc2nc(CC)sc2c1 225205765 VKDXYJBNORXVBW-UHFFFAOYSA-N 279.434 3.555 0 40 CHAB O=C(NCc1cccnc1-c1ccsc1)[C@@H]1CC=CCC1 225645573 FSMXNJALCLEQCJ-CYBMUJFWSA-N 298.411 3.783 0 40 CHAB CCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1C 225651535 VMZONOYQCOSDLM-INIZCTEOSA-N 279.380 3.537 0 40 CHAB Cc1ccc(CCCC(=O)Nc2cccc3cn[nH]c23)s1 257173142 DRUUWBYRYORBFN-UHFFFAOYSA-N 299.399 3.894 0 40 CHAB CC[C@@H](C)OCc1c(Br)cnn1C(C)C 408716343 LTVZNFSKRJQHHA-SECBINFHSA-N 275.190 3.542 0 40 CHAB c1ccc2oc(NCCc3c[nH]c4ccccc34)nc2c1 22530525 AEUGAXDMSFKGTE-UHFFFAOYSA-N 277.327 3.964 0 40 CHAB Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1 422922 OFJKQOVHGJKGRK-YJBOKZPZSA-N 294.354 3.765 0 40 CHAB CCc1cccc(C)c1NC(=O)COc1ccccc1C 580838 AHEGFPSUXSCDEF-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2)cc1 3153189 YLQSEEKPICXBFA-UHFFFAOYSA-N 252.361 3.588 0 40 CHAB C/C=C/C(=O)OCCOc1ccccc1-c1ccccc1 1596178 LBDYYGHVQOSRAT-KRXBUXKQSA-N 282.339 3.852 0 40 CHAB CCC[C@H]1CCC[C@]1(CC(=O)c1ccccc1)C(=O)O 1600817 YZRADSRLGWRTPH-WMLDXEAASA-N 274.360 3.931 0 40 CHAB O=C(Nc1ccccc1Br)[C@H]1C[C@H]2CC[C@@H]1C2 4997237 QEYVKPIUSUXVTC-AXFHLTTASA-N 294.192 3.824 0 40 CHAB CCCC[C@H](CC)CNC(=O)CCc1ccc(OC)cc1 6043094 XPLADLGCDGEBLT-HNNXBMFYSA-N 291.435 3.960 0 40 CHAB Cc1cc(CN[C@H]2CCCc3c2[nH]c2ccccc32)no1 87816394 BPJHQKCOARSELQ-INIZCTEOSA-N 281.359 3.632 0 40 CHAB Cc1ccccc1CNC(=O)Cc1ccccc1Cl 7977209 QIMATBNQTVWIHP-UHFFFAOYSA-N 273.763 3.507 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1F)c1ccccc1 8273908 KPZXOACDDLRIRL-ZDUSSCGKSA-N 271.335 3.636 0 40 CHAB CCCCSCC(=O)Nc1cnc2ccccc2c1 24754622 ZUPOQBBYYINHPB-UHFFFAOYSA-N 274.389 3.707 0 40 CHAB c1ccc(-n2cc(-c3nc4ccccc4o3)cn2)cc1 1398346 RKVUMPNIGODVPF-UHFFFAOYSA-N 261.284 3.681 0 40 CHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)C2CC=CC2)c1 89616416 KHMKCXIFGRLRHH-KRWDZBQOSA-N 269.388 3.933 0 40 CHAB CCc1cccc(NC(=O)NCc2ccccc2COC)c1 48345152 DMGREAHDWQKGDX-UHFFFAOYSA-N 298.386 3.717 0 40 CHAB CCOC(=O)CCCCCC(=O)c1cc(C)ccc1C 2378839 LAZITRPWOFIMMI-UHFFFAOYSA-N 276.376 4.000 0 40 CHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccncc2)o1 75543963 ACVCVDNCUOGIIP-WFASDCNBSA-N 299.374 3.988 0 40 CHAB CCC(=O)Nc1ccc(NCc2ccc(F)c(F)c2)cc1 37068165 YDXSIZLZWJOSKN-UHFFFAOYSA-N 290.313 3.925 0 40 CHAB Cc1ccc(NC(=O)c2ccn(C3CCCC3)n2)c(C)c1 28222958 PSDGSGOZUQFPSA-UHFFFAOYSA-N 283.375 3.867 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccco2)c1C 13012519 WETATIYSDUFKSK-MDZDMXLPSA-N 298.342 3.588 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc3ccccc3cc2O)C1 13001223 FRFBOIDLUJWXAD-BETUJISGSA-N 283.371 3.664 0 40 CHAB O=C(O)c1ccc(NCc2c(F)cccc2Cl)cc1 5927082 KDJYRHBLDNNAOF-UHFFFAOYSA-N 279.698 3.789 0 40 CHAB Cc1c(Cl)cccc1NC(=O)Cc1cccc(F)c1 7670175 IXKYFHQGHNPKCA-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1cccc(F)c1 8553295 UBNHRPVZGCZIMM-MJBXVCDLSA-N 293.382 3.634 0 40 CHAB CCc1cc(N(C)[C@@H](C)C(C)C)nc(-c2ccccn2)n1 95959040 FIQWLGJWHRFMNK-ZDUSSCGKSA-N 284.407 3.582 0 40 CHAB CC(C)=CCC[C@H](C)NC[C@@H]1CC(=O)Nc2ccccc21 95968954 NYDHJPKWLPNRSI-GJZGRUSLSA-N 286.419 3.837 0 40 CHAB C[C@H](NC(=O)c1ccc(F)c(Cl)c1F)C(C)(C)C 95993667 NTFWMYJVNYELAS-ZETCQYMHSA-N 275.726 3.783 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 22560012 YTJBQINMRVWQSL-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB O=C([C@@H]1CCCC12CC2)N1CC[C@@H](c2cccc(F)c2)C1 528430535 CYFHYZTUTVIYMU-ZBFHGGJFSA-N 287.378 3.722 0 40 CHAB Cc1ccc(-n2nc3oc4ccccc4cc-3c2=O)cc1C 33020892 OBDBTZYCHVBBJB-UHFFFAOYSA-N 290.322 3.700 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)N(C)C1CCCCC1 30758301 HOIBXDXAAFSHCU-INIZCTEOSA-N 289.419 3.944 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1 32904267 BLGUGNISUUWZDP-MRXNPFEDSA-N 284.334 3.506 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)OC(C)(C)C 34436879 NKPHWOZLEFNJGK-UHFFFAOYSA-N 259.305 3.605 0 40 CHAB Cc1nccc([C@H]2CCCCN2Cc2ccccc2F)n1 72384965 YVBIWWMAEVBZFF-QGZVFWFLSA-N 285.366 3.651 0 40 CHAB C[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1 46633525 VJORMGTXRKZORO-AWEZNQCLSA-N 285.362 3.678 0 40 CHAB C[C@@H](CCN(C)Cc1nccn1C(F)F)c1ccccc1 193706202 DPUAVHSMYWURAD-ZDUSSCGKSA-N 293.361 3.904 0 40 CHAB Cc1ccc(CC(=O)N(C)Cc2ccc(C)cc2)cc1 44839767 RWFURCLJXJNUKR-UHFFFAOYSA-N 267.372 3.505 0 40 CHAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccsc1 46912559 FTYHXMJZQYQSQU-CQSZACIVSA-N 257.358 3.725 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1cnc(C2CC2)nc1 222595274 POGHNKRVCCVMSI-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB O=C(NCCCc1ccco1)c1ccc2c(c1)CCCC2 225635018 LAHCNACSXWQYBM-UHFFFAOYSA-N 283.371 3.521 0 40 CHAB CN(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 96058309 PGRQITFCFUKSNX-BZSNNMDCSA-N 298.455 3.580 0 40 CHAB Cc1cccc(CO)c1OCc1cccc(Cl)c1 95095191 UZJDROCOEBGNPE-UHFFFAOYSA-N 262.736 3.720 0 40 CHAB Cc1ncc(CN(C)Cc2csc(C(C)C)n2)s1 52101475 XQMLGYBHEFUTIW-UHFFFAOYSA-N 281.450 3.663 0 40 CHAB CCCn1ccc(NCc2cc(C3CC3)nn2C(C)C)n1 256054700 XKIUTWSAKCOCND-UHFFFAOYSA-N 287.411 3.560 0 40 CHAB COc1cc(C(=O)[C@H](C)Cl)c(Cl)cc1Cl 380048177 WEXVQZPQKRCMJB-YFKPBYRVSA-N 267.539 3.812 0 40 CHAB C[C@@H](Cl)C(=O)c1ccc(F)cc1C(F)(F)F 390237363 LRKFOUMHKYSWKR-RXMQYKEDSA-N 254.610 3.655 0 40 CHAB Cc1cccc([C@@H](C)NCCc2nc(C(C)C)no2)c1C 89578977 CCVKFXWFQBTAQZ-CQSZACIVSA-N 287.407 3.703 0 40 CHAB Cc1csc2c(N[C@H](C)c3ccncc3)ncnc12 191135282 NAODWHSMUPPATN-SNVBAGLBSA-N 270.361 3.568 0 40 CHAB Cc1nc2cc(NC(=O)C3CC(F)(F)C3)ccc2s1 781204377 XOVCHEOGRJKRLC-UHFFFAOYSA-N 282.315 3.589 0 40 CHAB CN1CC[C@@]23CCCC[C@@]2(C)C[C@H]1c1ccc(O)cc13 1560405400 WARUAKZPIPHERG-OKZBNKHCSA-N 271.404 3.991 0 40 CHAB CCCC[C@H](CC)CNC(=O)CCc1ccccc1 5978543 QEVJIXFNTQTVKS-HNNXBMFYSA-N 261.409 3.952 0 40 CHAB CCCn1c(O)c(-c2ccccc2)c(=O)c2ccccc21 13118153 CWZIDKLKLPWDSN-UHFFFAOYSA-N 279.339 3.784 0 40 CHAB O=C(c1ccc(F)cc1)N1CCC[C@H]2CCCC[C@@H]21 16400819 PMNCNDZGZYIUID-DOMZBBRYSA-N 261.340 3.621 0 40 CHAB O=C(/C=C/c1cccs1)NC1CCCCCCC1 2734105 JSYNTEIXQXYCRV-ZHACJKMWSA-N 263.406 3.990 0 40 CHAB CN(C(=O)c1ccc(-c2ccccc2N)o1)C1CCCCC1 226303749 SJNSQHZNMBBCPE-UHFFFAOYSA-N 298.386 3.934 0 40 CHAB COc1ccccc1CCC(=O)Nc1ccc(C)cc1 2648926 WUWNAVIGBQYDQN-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB CNC(=S)N[C@H](C)Cc1ccc2oc3ccccc3c2c1 6668137 KWDWEEMTGZKUJQ-LLVKDONJSA-N 298.411 3.611 0 40 CHAB O=C(c1ccccc1OC(F)(F)C(F)F)C1CCC1 575361207 UTYFVKOKPWTNJA-UHFFFAOYSA-N 276.229 3.906 0 40 CHAB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1 353503 AFVYJYMYFLKDSD-UHFFFAOYSA-N 291.763 3.576 0 40 CHAB CCc1nc(C)c(C(=O)Nc2nc(C3CC3)cs2)s1 50312168 IKDAJABIVYDKGI-UHFFFAOYSA-N 293.417 3.600 0 40 CHAB O=C(CC1CCCC1)Nc1nc(C2CC2)cs1 32800709 OBUOWGOEBRYIHK-UHFFFAOYSA-N 250.367 3.539 0 40 CHAB CCCCNC(=O)N[C@H](c1ccccc1)c1cccs1 32806126 FBHDZLSNVKNFMT-OAHLLOKOSA-N 288.416 3.937 0 40 CHAB Cc1ccc2oc(C(=O)Nc3ncccc3C)cc2c1 41305713 RJIWZIDIWHEXQU-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB C[C@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)O 21964969 MWPVGPUGWCAROK-JTQLQIEISA-N 299.351 3.815 0 40 CHAB CCOc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 505904 HMHDQFOXYGTOCG-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCOC(=O)c1cc(-c2ccc(OC)c3ccccc23)on1 1857794005 ROQMCXPSZIIPOE-UHFFFAOYSA-N 297.310 3.680 0 40 CHAB Cc1ccc2[nH]c(C(=O)O)c(-c3ccccc3)c2c1 790610 RXFTYAQFRROLFJ-UHFFFAOYSA-N 251.285 3.842 0 40 CHAB CN1CCCO[C@@H](c2ccccc2)c2ccsc2CC1 1607890 CAGUNSQDJUXDGK-KRWDZBQOSA-N 287.428 3.732 0 40 CHAB CN1Cc2ccccc2[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21 6169441 WRNKIDLXXXIELU-PKOBYXMFSA-N 274.367 3.670 0 40 CHAB COc1ccc(C)cc1[C@@H](C)Nc1cnn(CC(F)F)c1 97038032 IJTWAYIRUIWMJO-LLVKDONJSA-N 295.333 3.638 0 40 CHAB CN(C)c1ccc(CCCNc2nc3ccccc3o2)cc1 25567131 IDCDUZDWEAJKCX-UHFFFAOYSA-N 295.386 3.939 0 40 CHAB CC(C)c1ccccc1NC(=S)NC(=O)C(C)(C)C 9064130 CODFBXYDBWHHQC-UHFFFAOYSA-N 278.421 3.669 0 40 CHAB C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@H]2O)CC(=O)CC4 118919153 BAZGVDKAIHZPOH-SFFUCWETSA-N 274.404 3.633 0 40 CHAB biogenic CCCOc1ccc(/C=C/C(=O)Nc2ccc(O)cc2)cc1 57559522 CJVWBVPNGQZGPO-LFYBBSHMSA-N 297.354 3.833 0 40 CHAB Cc1ccnc(NC(=O)c2cc3c(s2)CCCCC3)c1 27647843 LULUHIZFWMFLCV-UHFFFAOYSA-N 286.400 3.973 0 40 CHAB CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1 3387319 YQXBXZQIWFICPH-UHFFFAOYSA-N 297.354 3.606 0 40 CHAB Clc1cccc(CNc2ncnc3ccccc23)c1 48442164 REUANOPGUSANCK-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB Cc1cc(C)c(CSc2ncnc3c2cnn3C)c(C)c1 64927651 WAQNLGFVVQPINJ-UHFFFAOYSA-N 298.415 3.581 0 40 CHAB CCCN1C(=O)/C(=C\c2ccccc2O)c2ccccc21 409121295 UKQOEVRIHJIBJY-QINSGFPZSA-N 279.339 3.689 0 40 CHAB Cc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 5558347 YEAQSWKXMKUFQV-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CC(C)CCNC(=O)c1c(Cl)cccc1Cl 5632829 HMKCNMRPEBSDJZ-UHFFFAOYSA-N 260.164 3.769 0 40 CHAB O=C1COc2ccc(Cl)cc2N1C/C=C/c1ccccc1 5772418 WOMAUOKNAOMDRU-QPJJXVBHSA-N 299.757 3.779 0 40 CHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1O 9478203 XIEHMUHESIXOIA-UHFFFAOYSA-N 295.260 3.592 0 40 CHAB Cc1ccc(OCc2nc3ccccc3[nH]2)c(C)c1 15669937 KZMJQKSWDUVABW-UHFFFAOYSA-N 252.317 3.759 0 40 CHAB FC(F)(F)Oc1ccccc1CNC1CCCC1 19883367 PUWYTUBCPGKALJ-UHFFFAOYSA-N 259.271 3.617 0 40 CHAB in-vitro CC(C)(C(=O)NCc1ccc(Cl)cc1)c1ccccc1 16024373 XFGXIPVFYNPICR-UHFFFAOYSA-N 287.790 3.934 0 40 CHAB c1csc(-c2nc(-n3ccnc3)c3ccccc3n2)c1 7738691 LWHBDAYQBMLVFJ-UHFFFAOYSA-N 278.340 3.544 0 40 CHAB CCNC(=O)NC1(c2ccc(Cl)cc2)CCCCC1 69508376 OVVYDSKMVONGEG-UHFFFAOYSA-N 280.799 3.819 0 40 CHAB CC[C@@H](C)[C@H]1CCCCN1c1ccc(C(F)(F)F)nn1 95985534 WBBSHRGEYHVTAG-GHMZBOCLSA-N 287.329 3.900 0 40 CHAB C[C@H]1CCN(C(=O)CCc2ccccn2)[C@@H](c2ccco2)C1 75389616 JFCCNSMSFYOQJL-GOEBONIOSA-N 298.386 3.607 0 40 CHAB Cc1ccccc1-c1nnc(SCCc2ccccn2)o1 39985715 QOVHFLWATSNVGG-UHFFFAOYSA-N 297.383 3.775 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC(C)C 216306000 BBDDRWQSOUHVLA-OAHLLOKOSA-N 277.408 3.623 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)c1c(F)cc(F)cc1F 63005031 VMNJUSFJVBPQDT-UHFFFAOYSA-N 290.162 3.752 0 40 CHAB CCN(C(=O)c1ccc(SC)o1)c1ccccc1C 78996130 MUNMZXGOYVIESN-UHFFFAOYSA-N 275.373 3.977 0 40 CHAB Cc1cc(C(F)(F)F)nc2nc(NC(=O)C(C)C)ccc12 72341803 IAYSGMXZVVPPKT-UHFFFAOYSA-N 297.280 3.552 0 40 CHAB CNc1nc2c(s1)[C@@H](c1ccc(Cl)cc1)CC(O)=N2 49545613 YQFHQWUXJFAAKM-SECBINFHSA-N 293.779 3.962 0 40 CHAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1F 222621419 DRLJBKFGWMCFFR-UHFFFAOYSA-N 299.345 3.722 0 40 CHAB O=C(Cc1cccs1)NCc1ccc2ccccc2c1 45400697 JMAJDFPKBHHHHS-UHFFFAOYSA-N 281.380 3.760 0 40 CHAB COc1ccc(-c2ccc3c(Cl)nccc3n2)cc1 95097400 IUEDEEXQSVTZOP-UHFFFAOYSA-N 270.719 3.959 0 40 CHAB c1ccc(Oc2ncccc2-c2noc(C3CC3)n2)cc1 96405290 ZBOWHVFPLWFKGW-UHFFFAOYSA-N 279.299 3.801 0 40 CHAB CC(=O)Nc1nc(CNc2cccc(C)c2Cl)cs1 96446947 FDELZOFFPVWGIW-UHFFFAOYSA-N 295.795 3.675 0 40 CHAB COc1cccc(C(=O)c2cc(Cl)ccc2F)c1 95917153 PXHUAYISKSNUEE-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB O[C@@H](CCC[C@@H](O)c1ccccc1)c1ccccc1 17147599 DLZYVGAWUPIIFB-CALCHBBNSA-N 256.345 3.624 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 57488098 BALCYIPIOCMKMO-JZWPEALZSA-N 299.414 3.568 0 40 CHAB CCN(C(C)=O)[C@@H](c1ccc(Cl)cc1)c1ccccn1 75137848 QGICHQKCJATNJL-INIZCTEOSA-N 288.778 3.693 0 40 CHAB Cc1nc2ccc(NC(=O)Cc3ccccc3)cc2s1 5578273 BZHFEBVGOUQFFM-UHFFFAOYSA-N 282.368 3.786 0 40 CHAB c1cc(-c2cnc(-c3ccc4c(c3)CCCO4)o2)ccn1 13222958 RCUOEARNYAXURR-UHFFFAOYSA-N 278.311 3.729 0 40 CHAB Cc1cccc2c1C1c3c(C)cccc3[C@H](O)CC1C[C@@H]2O 17161787 VLVZYXMOGGZGPI-FOELVNDASA-N 294.394 3.926 0 40 CHAB COc1ccccc1NC(=O)CCc1c[nH]c2ccccc12 3598399 FKQMMXCRKUPIGN-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB CC1(CNC(=O)c2cccs2)C2CC3CC(C2)CC1C3 5043979 RGUZSBYGKXQKSL-UHFFFAOYSA-N 289.444 3.940 0 40 CHAB COc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl 22567624 BVYFGPDEPSUFJR-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB CC(C)c1ccc2cc(C(=O)Nc3ccccn3)[nH]c2c1 40070171 SAZKDGCCWIDZDF-UHFFFAOYSA-N 279.343 3.939 0 40 CHAB COc1cccc2c1N(C(=O)c1ccc(C)c(F)c1)CCC2 30574897 JPFDYXWPIFSSPP-UHFFFAOYSA-N 299.345 3.736 0 40 CHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cccc(Cl)c1Cl 102062651 YOYLWVDGNKJMRI-RKDXNWHRSA-N 298.169 3.673 0 40 CHAB CSc1ccc(-c2ccc(C(=O)O)c(Cl)n2)cc1 350000 HUYKJQXNUUTHDN-UHFFFAOYSA-N 279.748 3.822 0 40 CHAB Cc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1 384933 AAZPKDJTSHEDIM-UHFFFAOYSA-N 298.396 3.890 0 40 CHAB COc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1 43095 MRJBTLOPZXQVMW-UHFFFAOYSA-N 298.294 3.608 0 40 CHAB biogenic COc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1 43982 NBIHTBVOSDHTJS-LLVKDONJSA-N 286.327 3.584 0 40 CHAB CCc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 73874 XBXAHRVSAHERTM-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB CCN(Cc1ccncc1)C(=S)Nc1ccccc1C 116647 DWLLDQSUUYITKH-UHFFFAOYSA-N 285.416 3.609 0 40 CHAB CCCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl 341950 OVJDUOYLRZIYAT-UHFFFAOYSA-N 291.203 3.607 0 40 CHAB CC(=O)N(Cc1ccco1)C[C@H]1[C@@H](C)C=C(C)C[C@H]1C 485674 UYZWGOWZOGYDPO-VBQJREDUSA-N 275.392 3.867 0 40 CHAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 857581 RQKVDZVAKXFUEX-UHFFFAOYSA-N 286.331 3.517 0 40 CHAB CCOC(=O)c1cc2occc2n1CCc1ccccc1 1337795 IOHSXSGJMKAZGF-UHFFFAOYSA-N 283.327 3.654 0 40 CHAB c1ccc2nc(C[n+]3cccc4ccccc43)ccc2c1 1640981 HFOFAFJUMSMARR-UHFFFAOYSA-N 271.343 3.724 0 40 CHAB Cc1cc(O)c(Br)c(C)c1Br 1683084 FXZIOLSEICIRBW-UHFFFAOYSA-N 279.959 3.534 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccc(C)c(C)c1 2378857 DEEAJPPVLPIGHM-UHFFFAOYSA-N 276.376 4.000 0 40 CHAB Cc1cccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)c1 2582807 VTAWGNXKCPJJDO-VMPITWQZSA-N 273.282 3.925 0 40 CHAB Cc1ccc(NC(=O)NC2CCCC2)c(Br)c1 3070602 INBIUVUVKSWZJS-UHFFFAOYSA-N 297.196 3.822 0 40 CHAB Cc1ccc(C(C)(C)C)c(OC(=O)c2cnc(C)cn2)c1 3341632 QPUOECOKUHFJPS-UHFFFAOYSA-N 284.359 3.610 0 40 CHAB Cc1cccc(C(=O)O[C@H](C)CN2[C@@H](C)CCC[C@H]2C)c1 3904883 CDLAWMHMQXCIAA-OWCLPIDISA-N 289.419 3.803 0 40 CHAB COc1ccc(Nc2cc(=O)oc3ccccc23)c(OC)c1 4413035 DHXOFBFXVQTYFQ-UHFFFAOYSA-N 297.310 3.554 0 40 CHAB CCC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 4740586 HUGDFNSGSBSWDB-UHFFFAOYSA-N 296.370 3.904 0 40 CHAB NCc1cccc(-c2ccccc2C(F)(F)F)c1 5768154 RHFUHCOVZYLLSX-UHFFFAOYSA-N 251.251 3.831 0 40 CHAB CC(C)NC(=S)Nc1ccccc1C(C)(C)C 6538637 QRCYWJFTXAXJOA-UHFFFAOYSA-N 250.411 3.679 0 40 CHAB O=C(NC1CCCCCC1)c1cc2ccccc2o1 6890578 RDPORCNRJIRWPM-UHFFFAOYSA-N 257.333 3.885 0 40 CHAB C[C@H](NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 7787063 QKVNOUSNAYVUGB-LBPRGKRZSA-N 288.778 3.900 0 40 CHAB CCOC(=O)Cc1csc(Nc2ccc(CC)cc2)n1 9280762 TZENMKHAABSRSJ-UHFFFAOYSA-N 290.388 3.555 0 40 CHAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)oc2C)n1 12536669 ITQZYDZDOUXJPA-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB Oc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 13125633 HGITVHMCPFGLLQ-UHFFFAOYSA-N 266.275 3.655 0 40 CHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)NC1CCCC1 13328254 KBDBTECHXBVNKX-NSHDSACASA-N 276.355 3.619 0 40 CHAB O=C(Nc1ccnc(Cl)c1)c1ccc(Cl)cc1 16401092 KEEMZLOIHTZZQR-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB COC(=O)/C=C\C=C(c1ccccc1)c1ccccc1 17425824 RXSQYCYZFXKHKU-ZSOIEALJSA-N 264.324 3.848 0 40 CHAB CC1C[C@H](C)N(C(=O)c2cc(-c3ccccc3)on2)[C@H](C)C1 17860912 CITMQXUHLUOKSO-AGUYFDCRSA-N 298.386 3.991 0 40 CHAB c1ccc([C@H]2CN(C[C@H]3CCOC3)CC23CCCC3)cc1 19370000 UDZOJCHIZIODME-SJLPKXTDSA-N 285.431 3.683 0 40 CHAB Cc1cccc(Nc2nc(C)c3c(n2)CC(C)(C)CC3=O)c1 20101630 WGVMLDUQSJIDNS-UHFFFAOYSA-N 295.386 3.992 0 40 CHAB CCc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1 20137554 DYQIOANWLLCVSH-UHFFFAOYSA-N 283.327 3.508 0 40 CHAB O=C(O)CCc1ccc(-c2ccccc2Cl)o1 20267805 GZJKVQGICNQLGL-UHFFFAOYSA-N 250.681 3.617 0 40 CHAB Clc1ccc(-n2nc(Cl)nc2-c2cccnc2)cc1 22125762 XVDAMOXMCDHNBR-UHFFFAOYSA-N 291.141 3.636 0 40 CHAB CN(Cc1ccc2ccccc2c1)C(=O)c1cccnc1 23644155 ZLOCTTKYPMFWAD-UHFFFAOYSA-N 276.339 3.507 0 40 CHAB FC(F)(F)Oc1ccc2c(C3CCNCC3)c[nH]c2c1 26894270 FLPPWVPJRXXAPG-UHFFFAOYSA-N 284.281 3.534 0 40 CHAB Cc1ccc(N[C@H](C)c2nc(-c3ccco3)no2)cc1 26982459 WNNJMGJFOLZWKZ-LLVKDONJSA-N 269.304 3.811 0 40 CHAB c1ccc2c(c1)OCC[C@H]2Nc1ncnc2ccccc12 31949100 MKBGSLASVMAEDS-OAHLLOKOSA-N 277.327 3.566 0 40 CHAB CCCCNC(=O)N[C@@H](c1ccccc1)c1cccs1 32806124 FBHDZLSNVKNFMT-HNNXBMFYSA-N 288.416 3.937 0 40 CHAB COC(=O)c1cc(-c2ccccc2)c(F)c(F)c1F 34555369 CVDUGQOUDHMTTC-UHFFFAOYSA-N 266.218 3.558 0 40 CHAB COc1ccc(CN[C@H](C)c2ccco2)cc1OC(F)F 35137068 KHOFHBMEGNDKAP-SNVBAGLBSA-N 297.301 3.740 0 40 CHAB C[C@@H](Sc1nncn1C1CC1)c1ccc(F)cc1 40038996 MGCNWSLDDIWVNF-SECBINFHSA-N 263.341 3.605 0 40 CHAB O=C(NCC1CC1)c1ccc(-c2nc3ccccc3s2)o1 40051564 YTBZYOGBWSSBKK-UHFFFAOYSA-N 298.367 3.696 0 40 CHAB C[C@@H](NC(=O)C(C)(C)C)c1ccc(OC(F)(F)F)cc1 40074332 HCMAPLVQSWUYSI-SECBINFHSA-N 289.297 3.809 0 40 CHAB CCCCCN(C(=O)NCc1cccc(OC)c1)C(C)C 40150046 HYJSZUZUOGTLBK-UHFFFAOYSA-N 292.423 3.805 0 40 CHAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2)CC1 44137780 LBSVJZNADORQET-UHFFFAOYSA-N 295.354 3.604 0 40 CHAB Cc1c(C(=O)NCc2ccncc2)sc2ccccc12 44873271 JRUKNQQFSKLYMP-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB Cc1ccc(CNCc2c[nH]nc2-c2cccs2)s1 47798801 QVXPFXZBQLYOST-UHFFFAOYSA-N 289.429 3.798 0 40 CHAB CC[C@@H](C)[C@H](C)NC(=O)c1cc(F)c(F)cc1Cl 48331652 VCXUSMYUAMIPIS-SFYZADRCSA-N 275.726 3.783 0 40 CHAB COc1cccc(CO)c1OCc1c(F)cccc1Cl 49345563 HXIJGECVSJAFGO-UHFFFAOYSA-N 296.725 3.559 0 40 CHAB CN(C(=O)CCc1ccc(Cl)cc1)c1ccccc1 53681111 RQOPXNDTXCKUCW-UHFFFAOYSA-N 273.763 3.936 0 40 CHAB O=C(c1cccc(F)c1)N1CCSc2ccccc21 58002988 ZXXUHSTUAWKJDG-UHFFFAOYSA-N 273.332 3.578 0 40 CHAB CCC[C@@H](NCc1cnc(NC(C)C)nc1)c1ccccc1 62717637 MBLRDTKBWNOLRH-QGZVFWFLSA-N 298.434 3.928 0 40 CHAB C[C@H]1Cc2ccccc2N1CCNc1nc2ccccc2o1 65947248 QWIUHEGHEDZLAC-ZDUSSCGKSA-N 293.370 3.691 0 40 CHAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cnoc1 75170927 LHOBDCWWBXBOMR-UHFFFAOYSA-N 292.338 3.835 0 40 CHAB CCn1c(SC[C@H]2CCCOC2)nc2ccccc21 83843349 MOYUPIPOLZKIDA-LBPRGKRZSA-N 276.405 3.575 0 40 CHAB Cc1cc(C(=O)N2CC(C)(C)Sc3ccccc32)on1 84124138 OMEVDKNEIQVYPO-UHFFFAOYSA-N 288.372 3.514 0 40 CHAB O=C(Nc1ccccc1CCC(F)(F)F)C1=CCCCO1 84504564 BHXMIGDVSSXZCH-UHFFFAOYSA-N 299.292 3.814 0 40 CHAB COc1ccc(OCCN[C@H](C)CCc2ccccc2)cc1 89895767 DSUIFNKOMVBJQY-MRXNPFEDSA-N 299.414 3.685 0 40 CHAB CC(C)c1csc2nc([C@@H]3CCCS3)[nH]c(=O)c12 98019087 VLIZSCUKJAFJNQ-VIFPVBQESA-N 280.418 3.676 0 40 CHAB CC(C)(C)c1cc(O)n(-c2ccc(Cl)cc2)n1 100072207 AATCOEBGLDERSQ-UHFFFAOYSA-N 250.729 3.529 0 40 CHAB Cc1ccc(C)c(-n2c(=S)[nH]c3ccsc3c2=O)c1 101349853 FKQZHANFTHKJLJ-UHFFFAOYSA-N 288.397 3.727 0 40 CHAB Fc1cc(C(F)(F)F)cnc1OCc1ccccc1 146029961 BCXOUHGEXDQDGS-UHFFFAOYSA-N 271.213 3.819 0 40 CHAB C[C@H](NC(=O)C1CCCCC1)c1ccc2c(c1)CCC2 223210668 WWTIWBHFNGMBJO-ZDUSSCGKSA-N 271.404 3.933 0 40 CHAB Cc1nc(C)c(-c2nc([C@H]3CCCc4ccccc43)no2)o1 329561770 JGSKDEOGVUBEMD-AWEZNQCLSA-N 295.342 3.810 0 40 CHAB CCOc1ccc2[nH]c(SCc3cc(C)no3)nc2c1 9835010 WPYOLWHRMYURCD-UHFFFAOYSA-N 289.360 3.550 0 40 CHAB CN(C)CCCn1c2c(c3ccccc31)CCCCC2 1656009 FSHWGTLIMHKLMR-UHFFFAOYSA-N 270.420 3.862 0 40 CHAB CCN(CC)C(=O)OC[C@H]1[C@H](C=C(C)C)C1(C)C 1690870 UPEYENHMHKVMGQ-STQMWFEESA-N 253.386 3.703 0 40 CHAB Cn1c(C(=O)NC2CCCCCC2)cc2sccc21 4971224 BJTXGDOWHBVZNS-UHFFFAOYSA-N 276.405 3.692 0 40 CHAB Cc1cc2nnc(S)n2c2c(C(C)C)cccc12 12505984 DTSIVOSTOLOSEV-UHFFFAOYSA-N 257.362 3.603 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1c(C)nc2ccccn12 1403479 JPLIMRWESGIEDS-UHFFFAOYSA-N 299.761 3.857 0 40 CHAB COCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 25335601 RPFIYYDNICUXOG-DLBZAZTESA-N 299.345 3.714 0 40 CHAB CCSc1nc2ccccc2c2nc(-c3ccco3)nn12 9939994 FBDXNTHRZXPNNP-UHFFFAOYSA-N 296.355 3.650 0 40 CHAB CCCc1nc2ccccc2n1C[C@@H](O)c1ccccc1 12525331 KTGZWALDWWHUDM-QGZVFWFLSA-N 280.371 3.722 0 40 CHAB COC(=O)[C@@H](NC1CCCCCCC1)c1ccccc1 47979125 HUFSXZJHNOVCSL-INIZCTEOSA-N 275.392 3.603 0 40 CHAB Cc1ccc(C2=CS[C@H]3N=CN=C(NCC(C)C)[C@H]23)cc1 57369752 UYLWGJKSAUBLDY-DOTOQJQBSA-N 299.443 3.711 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2Br)C1 59200827 CXZDDANPVPFKSR-NXEZZACHSA-N 283.213 3.514 0 40 CHAB CON(C)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 25715151 SBTYESUTYMBVET-UHFFFAOYSA-N 290.388 3.567 0 40 CHAB Cc1c(C(=O)Nc2onc3c2CCCC3)oc2ccccc12 11914265 CVBGLTCNEBXTDC-UHFFFAOYSA-N 296.326 3.860 0 40 CHAB Cc1ccc(NC(=O)N2[C@H](C)CCC[C@H]2C)cc1F 13320302 QHQLUVUFCQOICW-VXGBXAGGSA-N 264.344 3.929 0 40 CHAB Cc1ccc(SCc2cc(=O)n(-c3ccccc3)[nH]2)cc1 13611606 YMWUUTVEBVQQTL-UHFFFAOYSA-N 296.395 3.766 0 40 CHAB CC1(C)Cc2nc3c(cc2CO1)C(O)=Nc1ccccc1N3 5393114 NCDOOTFLLXPJRR-UHFFFAOYSA-N 295.342 3.626 0 40 CHAB CCc1ccc2c(CNC(CC)CC)cc(=O)oc2c1 6548566 XAUTYJYEQHOWSO-UHFFFAOYSA-N 273.376 3.634 0 40 CHAB CCC(C)(C)OC(=O)c1sc([C@H](C)OC)nc1C 97049079 XVPDTYFFKDWFFV-VIFPVBQESA-N 271.382 3.504 0 40 CHAB COc1cc(OC)cc(C(=O)Oc2cc(C)cc(C)c2)c1 6626352 SCJOCVZGBOPIHM-UHFFFAOYSA-N 286.327 3.540 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@@H]1C 6790120 NWIMMNSYUZEOJT-WFASDCNBSA-N 298.386 3.959 0 40 CHAB Cc1cc(Oc2ncc(Br)cn2)ccc1Cl 67119718 JXUPRYMWECCXPO-UHFFFAOYSA-N 299.555 3.993 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(Cl)cc2)s1 16024416 LMMQPAHFWDHEPT-UHFFFAOYSA-N 265.765 3.640 0 40 CHAB O=C1c2ccccc2N[C@@H](c2cccc(F)c2)N1C1CC1 7886081 DKFATFGAXZDIEZ-MRXNPFEDSA-N 282.318 3.555 0 40 CHAB O=C(NC1CCCCCCC1)c1cnn(-c2ccccc2)c1 20902254 QWCIUSDOLSHRHF-UHFFFAOYSA-N 297.402 3.715 0 40 CHAB CC(=O)N(Cc1ccc(NCc2ccc(C)o2)cc1)C1CC1 95429189 VFNKSVCITQYKAQ-UHFFFAOYSA-N 298.386 3.711 0 40 CHAB Cc1cccc(NC(=O)N(C)CCOCC2CC2)c1Cl 88392106 OZOYJQJTCFFDDZ-UHFFFAOYSA-N 296.798 3.539 0 40 CHAB Clc1cnccc1CN1CC[C@@H](c2ccccc2)C1 75675331 FIHGQVFGNCFHEP-CQSZACIVSA-N 272.779 3.725 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CC(=O)C[C@@H]12 4777677 WDSIJVKJXHSMCM-LQQDZYOZSA-N 290.447 3.959 0 40 CHAB biogenic,in-vitro O=C(c1ccc(SCc2ccccc2)nc1)N1CCCC1 42760559 XTVHDFCQXLQLNW-UHFFFAOYSA-N 298.411 3.610 0 40 CHAB Clc1cc(-c2cccnc2)nc(Cc2ccccc2)n1 78401360 GJUSEBAEKPCPGH-UHFFFAOYSA-N 281.746 3.783 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 30752463 SPTSJUMQZJFJJL-LSDHHAIUSA-N 295.382 3.740 0 40 CHAB O=CN1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214111 LOOVHRSVASNNQA-MRXNPFEDSA-N 281.359 3.509 0 40 CHAB CC(C)(C)SCCNC(=O)c1ccc(Cl)cc1F 225429994 IZLGQTZLAGDAJK-UHFFFAOYSA-N 289.803 3.741 0 40 CHAB O=C([C@H]1CCCC12CC2)N1CC[C@H](c2cccc(F)c2)C1 528430519 CYFHYZTUTVIYMU-GOEBONIOSA-N 287.378 3.722 0 40 CHAB COc1ccc(C(=O)NCC2=CCCCC2)cc1Cl 225099147 PFZKYGDLHSJWCB-UHFFFAOYSA-N 279.767 3.579 0 40 CHAB Cc1ccc(-c2nc3c([nH]2)c(C)nn3C2CCCC2)o1 48087849 FKYXWHMJRMBUSC-UHFFFAOYSA-N 270.336 3.751 0 40 CHAB CCCCCCNC(=O)Nc1cccc(NC(=O)CC)c1 44106562 QAPKYWGMPVPUBH-UHFFFAOYSA-N 291.395 3.737 0 40 CHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)cc2C)cc1 224980677 CNAXPIMEHYNSRL-INIZCTEOSA-N 297.398 3.809 0 40 CHAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccccc1C 226260632 GTCRUAPVHRKLBN-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB Cc1c(CN[C@@H](c2cc3ccccc3o2)C(C)C)cnn1C 97229844 LMGDSDNQQBFZHQ-GOSISDBHSA-N 297.402 3.962 0 40 CHAB CCc1cccc(NC(=O)c2n[nH]c3c2CCCCCC3)c1 257270728 MVLBBBSERPHSSU-UHFFFAOYSA-N 297.402 3.883 0 40 CHAB COc1ccc(OC)c(C(=O)c2ccc(SC)cc2)c1 92210504 HYMXSFHPHNQQIQ-UHFFFAOYSA-N 288.368 3.657 0 40 CHAB CCCCN(C)c1cc(Br)ccc1F 95915588 ZWTDGSSDEVTTMK-UHFFFAOYSA-N 260.150 3.825 0 40 CHAB CC(C)Oc1cnc2ccc(Br)cc2c1 685937806 SLPKSCQKOZOEIK-UHFFFAOYSA-N 266.138 3.785 0 40 CHAB O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)s1 17007884 HSOBPSYJRPIOTQ-UHFFFAOYSA-N 277.736 3.530 0 40 CHAB Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc(O)cc2)s1 97227829 RFFQPWLXVHSNLG-LBPRGKRZSA-N 289.400 3.524 0 40 CHAB O[C@@H](c1cccc(Cl)c1)c1ccc(F)c(F)c1 4242369 FUVPHDMMCAQTNN-ZDUSSCGKSA-N 254.663 3.700 0 40 CHAB Cc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)s1 981500 FXFBJCNBUURCLC-UXBLZVDNSA-N 267.375 3.501 0 40 CHAB COc1cccc(NC(=O)Nc2c[nH]c3ccccc23)c1 5299944 XSKAGJSBEDCDMZ-UHFFFAOYSA-N 281.315 3.821 0 40 CHAB Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2)cc1C 5552508 RSEZAOSCSYFAMW-UHFFFAOYSA-N 298.411 3.739 0 40 CHAB N=c1oc2ccccc2cc1C(=O)Nc1cccc(Cl)c1 12360294 BXABDEVENMKCAF-UHFFFAOYSA-N 298.729 3.818 0 40 CHAB biogenic,in-vitro Cc1ccc(NCc2cc3cccc(C)c3[nH]c2=O)cc1 12492332 DRAIOVQUCHZXHG-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB COc1cccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1 12618586 WAOHGAYUURJKOO-MRXNPFEDSA-N 299.395 3.659 0 40 CHAB Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(F)cc2)c1 14573668 IGTYIEAXYIFLFT-AWEZNQCLSA-N 285.362 3.862 0 40 CHAB COc1ccccc1NC(=S)Nc1ccccc1 5550414 WSMHABKJPAZMKR-UHFFFAOYSA-N 258.346 3.504 0 40 CHAB COc1ccc(C)c2sc(NC(=O)C(C)(C)C)nc12 2713953 XUYUFWYNZLXHPL-UHFFFAOYSA-N 278.377 3.598 0 40 CHAB CC[C@@H](C)NC(=O)C(c1ccccc1)c1ccccc1 64832 HBYNPZLVZUFNDQ-CQSZACIVSA-N 267.372 3.733 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)Cc2c(F)cccc2Cl)C1 32564213 RUTPPIJDDAEHCA-GHMZBOCLSA-N 283.774 3.526 0 40 CHAB O=C(Nc1ccccc1N1CCCCC1)c1ccccc1 570222 VUIGCAFMONBLRG-UHFFFAOYSA-N 280.371 3.929 0 40 CHAB CCC[C@@H]1[C@H](CC)C1(Br)Br 162173 FYYYLMWEQBJQSW-NKWVEPMBSA-N 270.008 3.929 0 40 CHAB CCc1ccc(CCC(=O)Nc2ccc(F)cc2)o1 534441 FKKYQUKERSIEFW-UHFFFAOYSA-N 261.296 3.552 0 40 CHAB COc1cccc(CCC(=O)c2ccc(F)c(F)c2)c1 2516535 MANKZHWBITVHPV-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB COc1ccc(CCC(=O)c2ccccc2F)cc1 2516571 BLHHQWLFXRBMNG-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB CCOc1ccccc1NC(=O)CNc1ccccc1CC 3343421 VBLCBBWJUUWEMS-UHFFFAOYSA-N 298.386 3.698 0 40 CHAB O=C(CSc1ccccc1)N[C@H]1CCCc2ccccc21 3604000 NKLGKIKLWSKFER-KRWDZBQOSA-N 297.423 3.973 0 40 CHAB O=C(Nc1ccc(-n2cccc2)cc1)c1ccc(F)cc1 4049826 KTUOITFQRFJWMM-UHFFFAOYSA-N 280.302 3.869 0 40 CHAB C[C@](Cc1nc2ccccc2s1)(C(=O)O)c1ccccc1 4207428 CQYXWVCTRPQMKH-QGZVFWFLSA-N 297.379 3.881 0 40 CHAB Nn1cc(-c2ccccc2)nc1SCc1ccc(F)cc1 4406104 ZVXYLIANVGVIQQ-UHFFFAOYSA-N 299.374 3.695 0 40 CHAB CNC(=O)Nc1ccccc1Nc1ccc(Cl)cc1 5719780 RSWUCJWMMMJXPZ-UHFFFAOYSA-N 275.739 3.835 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1 6468179 BHLSQXPDIPIYIW-MFKMUULPSA-N 250.317 3.526 0 40 CHAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)no1 6787599 KBFKQRIAPFTOCM-GFCCVEGCSA-N 296.326 3.542 0 40 CHAB O=C(CSc1ccccn1)N(C1=CCCCC1)C1CC1 7734728 ZNQQYQIVAKBHDO-UHFFFAOYSA-N 288.416 3.623 0 40 CHAB CSc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 8023689 PYURSTJRVYNHDB-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB CC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1C 8042151 OHIDHTHLGHGLTI-UHFFFAOYSA-N 264.325 3.845 0 40 CHAB CC(C)n1cccc1CN(C)Cc1nc2ccccc2[nH]1 13568967 TYVWUNXEEAQRNZ-UHFFFAOYSA-N 282.391 3.577 0 40 CHAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)on1 13596765 ZKXIXOHTYQKZAD-UHFFFAOYSA-N 292.338 3.754 0 40 CHAB COc1ccc(Oc2ccc(-c3ccn[nH]3)cc2)cc1 13658008 DQUCWLYNWVXPCI-UHFFFAOYSA-N 266.300 3.878 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708557 LTHHIEKMUCMSJK-UONOGXRCSA-N 285.387 3.912 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 13710159 PKOJPRSUIVNTCE-CVEARBPZSA-N 297.398 3.948 0 40 CHAB O=C(c1cccc(OCc2ccccc2)c1)N1CCCCC1 14796023 IDSYOAQVYYMRBP-UHFFFAOYSA-N 295.382 3.892 0 40 CHAB CC(C)c1n[nH]c(=S)n1[C@@H]1CCc2ccccc21 15109594 NODWBLXCLBYSOZ-GFCCVEGCSA-N 259.378 3.600 0 40 CHAB Cc1ccc2cc3cc(C(=O)O)sc3nc2c1C 19234321 AVTYCVDJBULGNK-UHFFFAOYSA-N 257.314 3.765 0 40 CHAB Cc1ccc(Oc2ccc(Br)cc2)nc1 19479356 RZXUVVWLPHZLQB-UHFFFAOYSA-N 264.122 3.945 0 40 CHAB in-vitro Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(N)cc2C)c1 19736385 PYGCLBYZWKCWMB-CQSZACIVSA-N 298.386 3.600 0 40 CHAB Cc1ccsc1CN(CCN(C)C)Cc1cccs1 23247845 DTMCSCQWGVAGIL-UHFFFAOYSA-N 294.489 3.682 0 40 CHAB Cc1ccc2[nH]c(C(=O)N(Cc3ccco3)C3CC3)cc2c1 29270643 HGYCDYTVSPHJHU-UHFFFAOYSA-N 294.354 3.874 0 40 CHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NC(C)C 31867856 HOJKIMNPWDWOCB-UHFFFAOYSA-N 294.807 3.910 0 40 CHAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@H](C)C(C)C)cc1C 32916574 HQBYJKRBGYQUKM-CQSZACIVSA-N 295.448 3.501 0 40 CHAB O=C(O)c1cnc(-c2ccccc2)nc1Nc1ccccc1 39285526 WBXWTYBRTMXVCN-UHFFFAOYSA-N 291.310 3.585 0 40 CHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCC(C)C 44884433 VOYDZSKWGUBUBX-MRXNPFEDSA-N 285.387 3.769 0 40 CHAB CCOc1cccc(C(=O)Nc2c(C)cc(N)cc2CC)c1 45889275 ZKAQUURYIONRGO-UHFFFAOYSA-N 298.386 3.791 0 40 CHAB CC[C@@H](NCc1ccc(C(=O)O)cc1)C1CCCCC1 52338710 SQIFWXGPDDXXCO-MRXNPFEDSA-N 275.392 3.833 0 40 CHAB Cc1ccc([C@@H](C)NC(=S)NCc2cccs2)s1 53532305 QNXQQLGZLUZAPG-SNVBAGLBSA-N 296.486 3.843 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCC(n2cccc2)CC1 65551925 FULGOSZGUVVWIU-OTBWCIGPSA-N 288.435 3.914 0 40 CHAB Cc1ccc(F)c(Cn2cc([C@H]3CC=CCC3)nn2)c1F 67966306 URHSDPJRCHAFFE-LBPRGKRZSA-N 289.329 3.737 0 40 CHAB C[C@H](c1cccnc1)N(C(=O)Nc1cccc(F)c1)C1CC1 69813323 VPFNAVHCOHXBIA-GFCCVEGCSA-N 299.349 3.978 0 40 CHAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)nc1 78795498 WUAGWUIINBDNQX-MDZLAQPJSA-N 278.783 3.528 0 40 CHAB Cc1cccc(CC(=O)N(Cc2ccco2)C(C)C)c1 89669447 PWLRSDWDOOFUKG-UHFFFAOYSA-N 271.360 3.568 0 40 CHAB Cc1nnc(COc2cccc(C(C)C)c2)n1C1CC1 91592236 YGOWMDISPCUFDC-UHFFFAOYSA-N 271.364 3.624 0 40 CHAB Cc1c([C@@H](C)N[C@H](C)c2cnn(C)c2)oc2ccccc12 95420804 DZACUUNWAHCIER-CHWSQXEVSA-N 283.375 3.887 0 40 CHAB CCC(=O)c1cc(F)c(OCCC(C)C)c(F)c1 95739929 UOQBUGMMTSSUFF-UHFFFAOYSA-N 256.292 3.982 0 40 CHAB O=C(O)c1cc(Br)c(Cl)c(F)c1Cl 96171740 IULUXJISLFOFRP-UHFFFAOYSA-N 287.899 3.593 0 40 CHAB CCCc1nnc(NCc2cccc(-c3cccnc3)c2)o1 97045415 VIKFWJSBOLLESR-UHFFFAOYSA-N 294.358 3.696 0 40 CHAB O=c1c2ccc(Cl)cc2[nH]c(=S)n1-c1ccccc1 100007628 KPCPBBQBISDRFL-UHFFFAOYSA-N 288.759 3.702 0 40 CHAB Cc1cc(C)cc(N/C=C2/N=C(c3cccs3)OC2=O)c1 105930474 VJFQDVQHUKJNAB-UKTHLTGXSA-N 298.367 3.622 0 40 CHAB C[C@]12CC[C@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@@H]3[C@@H]1CC[C@H]2O 257346120 RHVBIEJVJWNXBU-ZJYKBVNWSA-N 276.420 3.569 0 40 CHAB CCOC(=O)c1nc2cccc(F)c2c(Cl)c1Cl 685936901 BXBDADWNVRMWQP-UHFFFAOYSA-N 288.105 3.857 0 40 CHAB Cc1n[nH]c(=O)nc1NC1CCCCCCCCCCC1 114331 PMZDXHQQPQVZJD-UHFFFAOYSA-N 292.427 3.559 0 40 CHAB Cc1cccc(NC(=O)COc2cc(C)cc(C)c2)c1 128681 TXQSOWFOZOLYQT-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB O=C(Oc1ccc(Cl)c2cccnc12)c1cccnc1 189731 TZPKUYDXEWNSDK-UHFFFAOYSA-N 284.702 3.502 0 40 CHAB CC(=O)N(c1ccccc1)c1nc2ccccc2s1 252248 CZXGMKQRPSDFMP-UHFFFAOYSA-N 268.341 3.981 0 40 CHAB CCC(C)(C)C(=O)Nc1nnc(CC(C)(C)C)s1 380316 OQHXMXOYYCJUMD-UHFFFAOYSA-N 269.414 3.501 0 40 CHAB CC(C)Nc1ncnc2sc3c(c12)CC[C@H](C)C3 1972850 BCDGHCARLNLHIP-VIFPVBQESA-N 261.394 3.636 0 40 CHAB Cc1ccc(C)c(NC(=S)N(C)c2ccc(O)cc2)c1 2645358 UZOQHRMPEHZWCX-UHFFFAOYSA-N 286.400 3.842 0 40 CHAB CCCC[C@@H](CC)CNC[C@H](O)COc1ccc(C)cc1 2647022 KYRXGNDXTRQLMI-SJORKVTESA-N 293.451 3.541 0 40 CHAB CCCCC(=O)Nc1nc2c(F)cccc2s1 2714022 OGTYRDCTGSSWCX-UHFFFAOYSA-N 252.314 3.564 0 40 CHAB CCOC(=O)c1oc2ccccc2c1NC(=O)C(C)(C)C 4162579 OUPMICROHMOLBT-UHFFFAOYSA-N 289.331 3.594 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C 4655076 CCCIJQPRIXGQOE-YRXWBPOGSA-N 284.399 3.719 0 40 CHAB biogenic,in-vitro O=C(c1cccs1)N(Cc1ccccn1)Cc1ccco1 4859330 PFNICXOHNQWGNB-UHFFFAOYSA-N 298.367 3.579 0 40 CHAB O=C1N[C@H](c2ccc3ccccc3c2)Oc2ccccc21 5001183 XHWFVMVKBZRTHO-SFHVURJKSA-N 275.307 3.661 0 40 CHAB Cc1ccc(C)c(C(=O)Nc2ncnc3sccc23)c1 5299487 ZJLLKQROYZBMAF-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(F)c1 5529456 FHLYFTUCMKYAMS-NSHDSACASA-N 287.309 3.946 0 40 CHAB Cc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1 8133213 ZKSQYPIXTHAKSJ-UHFFFAOYSA-N 287.790 3.550 0 40 CHAB CC1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 9058089 NUDXQUWORRFJAO-UHFFFAOYSA-N 277.751 3.958 0 40 CHAB O=C(Nc1ccccn1)c1cc2c(F)cccc2s1 9365977 RUPVRTBHCYXVFH-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB O=C(Nc1ccccc1)c1cc(-c2ccccc2)on1 9458028 KFRZPEBAENPQTA-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB Clc1cccc(CSC2=N[C@@H]3CCCC[C@H]3N2)c1 9722559 PVHYGQMFJZLFIW-CHWSQXEVSA-N 280.824 3.844 0 40 CHAB O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)C1CC1 11211623 PRZQZFIGNLQJFI-SFHVURJKSA-N 283.346 3.636 0 40 CHAB O=C(Cc1ccsc1)N[C@@H](c1ccccc1)C1CC1 12925552 MSAKFEDBICPSGO-INIZCTEOSA-N 271.385 3.558 0 40 CHAB O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CC=CCC1 13007970 YWBFUNZODMPBGC-JTQLQIEISA-N 285.265 3.880 0 40 CHAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1C 13582323 TYTFXRWCFIDOIK-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB C1CSC2(CCC3(CC2)SCCS3)S1 14983645 MBMSLTQBQYVSOA-UHFFFAOYSA-N 264.506 3.913 0 40 CHAB CC(C)CNC(=S)Nc1ccc(C(F)(F)F)cc1 17007522 ZHDMRBAHGKFBKO-UHFFFAOYSA-N 276.327 3.648 0 40 CHAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3)cc2c1C 17355946 DOWMYWKRBQHIEC-UHFFFAOYSA-N 278.355 3.715 0 40 CHAB CC(C)(C)OC(=O)Nc1cccc(C2CCNCC2)c1 22015193 XYHFIZFIVZIEBS-UHFFFAOYSA-N 276.380 3.501 0 40 CHAB Cc1cccc(-n2c(CNc3ccccc3)n[nH]c2=S)c1 26439374 AKZQWNSQASOQOH-UHFFFAOYSA-N 296.399 3.850 0 40 CHAB Cc1ccc(-c2nnc(-c3ccccc3F)o2)cc1 30823308 NBSXRTPHMKSRDG-UHFFFAOYSA-N 254.264 3.851 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1C[C@H]1C 32787306 CNHIKPNLBUBMQU-GBIKHYSHSA-N 251.757 3.515 0 40 CHAB CC1(C)CCc2cc(Br)ccc2C1=O 34412544 BMOUYKYDZFNYFV-UHFFFAOYSA-N 253.139 3.604 0 40 CHAB Cc1ccc(CC(=O)NCCSC2CCCCC2)cc1 38773186 LTGMDPYWNCCEMM-UHFFFAOYSA-N 291.460 3.720 0 40 CHAB CC(C)CCC(=O)N1CCC[C@H]1c1ccsc1 40107746 BHZZIRCMCKWUHI-ZDUSSCGKSA-N 251.395 3.848 0 40 CHAB COc1cccc(CN(C)Cc2ccc(C)cc2)c1OC 40161694 HMXDPJLNNUYSKY-UHFFFAOYSA-N 285.387 3.644 0 40 CHAB O=C(NCCc1ccco1)c1occc1-c1ccccc1 44873949 LQQVAUKEMMIKNN-UHFFFAOYSA-N 281.311 3.512 0 40 CHAB CCCOc1ccc(CNC(=O)c2cccc(F)c2)cc1 46179698 GCYBXSZGRNBNIH-UHFFFAOYSA-N 287.334 3.545 0 40 CHAB Cc1ccc(C)n1[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 48355711 LFFSZNDMDOKLKO-BBRMVZONSA-N 284.403 3.586 0 40 CHAB Sc1cc(SCc2ccccc2Cl)ncn1 57352296 OAASJXNFMZLDNL-UHFFFAOYSA-N 268.794 3.711 0 40 CHAB COc1c(Cl)cc(C)cc1C(=O)NC1CCCCC1 72206528 DDFHMWMHWIUUCZ-UHFFFAOYSA-N 281.783 3.720 0 40 CHAB CCN1CCCC[C@H]1c1ccc(NCC(C)C)nc1 72213331 VSZXZKKBEVPYOD-HNNXBMFYSA-N 261.413 3.696 0 40 CHAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)C(C)C)s1 95116316 XCOQSYQYCLJNGU-LBPRGKRZSA-N 289.404 3.675 0 40 CHAB CC(C)(c1ccc(O)cc1)c1cc(Br)ccn1 95629706 UOBYZIQINUSRSZ-UHFFFAOYSA-N 292.176 3.876 0 40 CHAB COc1cc(C(=O)c2ccc(SC)cc2)ccc1F 95917264 LSEKCBNADWCXKQ-UHFFFAOYSA-N 276.332 3.787 0 40 CHAB COC(=O)c1cc(C(F)(F)F)c(-c2ccccc2)cn1 96171822 IGNGEQJHESREMI-UHFFFAOYSA-N 281.233 3.554 0 40 CHAB CC(C)Cc1ccc(C[S@](=O)CC2CCOCC2)cc1 96484816 KVFBGYUHVPGKCG-HXUWFJFHSA-N 294.460 3.560 0 40 CHAB Cc1ccc(CNc2ccc(C)c(C(=O)N(C)C)c2)s1 97020098 FXAKDIYLEZQASW-UHFFFAOYSA-N 288.416 3.679 0 40 CHAB C[C@H](Nc1cnn(C(C)(C)C)c1)c1nc2ccccc2o1 97140026 ALAQJBVYTBRMAJ-NSHDSACASA-N 284.363 3.952 0 40 CHAB Cc1ccc(C(=O)Cc2cc(Br)ccn2)cc1 98175326 IKLYSUNKFSLESC-UHFFFAOYSA-N 290.160 3.578 0 40 CHAB COc1ccc2c(c1OC)C(=O)CC(c1cccc(F)c1)=N2 113618331 MGBOMLDFJHSXFS-UHFFFAOYSA-N 299.301 3.550 0 40 CHAB COc1c(C)cc(C(=O)Cc2ccccc2)cc1C 213574832 BCSXMBRRGRLHDS-UHFFFAOYSA-N 254.329 3.737 0 40 CHAB CC(C)c1ccc(C(=O)Nc2cc(N)ccc2N(C)C)cc1 226260696 DBTHDTCCANAZRD-UHFFFAOYSA-N 297.402 3.711 0 40 CHAB CCNc1ccc2nc(-c3cccc(OC)c3)oc2c1 226284331 KLWJCGJXUJTLOJ-UHFFFAOYSA-N 268.316 3.935 0 40 CHAB Cc1cc(-c2ccc(O)cc2)ncc1Br 536954113 NMGCIHPAWQYVAO-UHFFFAOYSA-N 264.122 3.525 0 40 CHAB NC1(c2ccc3ccccc3c2Br)CC1 575629460 YIKWRJSXILRMSV-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB CC(C)c1cc(C(=O)O)c2c(-c3ccccc3)noc2n1 12398015 IOPVMDIEYAXRKG-UHFFFAOYSA-N 282.299 3.711 0 40 CHAB COc1ccccc1C(=O)N[C@@H]1CC(C)(C)Cc2occc21 545486 QLGGCKAUOSUXJP-CQSZACIVSA-N 299.370 3.732 0 40 CHAB CCC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 884870 WIPMIILWOXYZRD-UHFFFAOYSA-N 293.322 3.809 0 40 CHAB CN(C(=O)CSc1nc2ccccc2o1)c1ccccc1 3618873 MGPCVCQEKUYILM-UHFFFAOYSA-N 298.367 3.583 0 40 CHAB Cn1c(SCC(=O)c2cccs2)nc2ccccc21 6628755 TVIJDNYIGAPQPR-UHFFFAOYSA-N 288.397 3.610 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)c(C)c1 10491573 DHFKBWMBBKRZQG-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(F)c(F)c2)c1 9856040 XKNZRTSDXOBWRU-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB O=C(Nc1ccncc1)c1ccc2c3c(cccc13)CC2 10126325 IYOLJRXDVHBYKS-UHFFFAOYSA-N 274.323 3.586 0 40 CHAB Cc1ccc(C)c(C(=O)COC(=O)c2sccc2C)c1 2635803 WZBDPMOKLCMNAY-UHFFFAOYSA-N 288.368 3.713 0 40 CHAB Cc1cc(NC(=O)CS[C@@H](C)c2ccc(F)cc2)on1 49462472 RFSSODCLSICHJO-JTQLQIEISA-N 294.351 3.555 0 40 CHAB CCCCNC(=O)c1c(C)c2cc(CC)ccc2n1C 9264128 WBKPTAGDNDDIIY-UHFFFAOYSA-N 272.392 3.579 0 40 CHAB Cc1ccc2c(c1)[C@H](c1ccc(Cl)cc1)NCC2 19625122 CXXYKWRMHXRPEB-INIZCTEOSA-N 257.764 3.884 0 40 CHAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1 21328988 ZJKHPFFQNPGQLG-SNVBAGLBSA-N 284.290 3.620 0 40 CHAB CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 7796884 LOAMHOUVUJPVJE-UHFFFAOYSA-N 277.371 3.601 0 40 CHAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)C(C)C)n2c1 16753138 AXQAEPRDDCTPII-UHFFFAOYSA-N 293.370 3.904 0 40 CHAB Cc1cc(CN[C@@H]2CCCc3c2[nH]c2ccccc32)no1 87816393 BPJHQKCOARSELQ-MRXNPFEDSA-N 281.359 3.632 0 40 CHAB Cc1[nH]n(-c2ccccc2)c(=O)c1-c1cccc(Cl)c1 8828963 VDIJVUPJTKPKEF-UHFFFAOYSA-N 284.746 3.794 0 40 CHAB Cc1ccc(C[S@@](=O)Cc2ccn(C(C)C)n2)cc1C 95418341 BCLHBQRASXMQQH-FQEVSTJZSA-N 290.432 3.530 0 40 CHAB c1cc(NCc2cccc3[nH]ccc23)cc(-c2nc[nH]n2)c1 95431145 OIPSYXZSHLAPIM-UHFFFAOYSA-N 289.342 3.565 0 40 CHAB C[C@H]1CN(Cc2cc3ccccc3s2)C[C@H](C)O1 95430490 UNIBBCRFNILCPB-RYUDHWBXSA-N 261.390 3.511 0 40 CHAB Cc1ccc(N[C@H](c2cccc(C)c2)P(=O)(O)O)cc1 24769600 VWSLPJQOQNPAPB-HNNXBMFYSA-N 291.287 3.592 0 40 CHAB CCSc1ncc(CNCc2ccccc2Cl)cn1 62717287 TZCHFQDYPQGXRM-UHFFFAOYSA-N 293.823 3.532 0 40 CHAB O=C(O)[C@H]1C[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 70453039 YBTNQUVYWRSSOW-QWRGUYRKSA-N 262.692 3.788 0 40 CHAB CCc1ccc(CC(=O)Nc2cc(C)ccc2OC)cc1 128993609 AQSZNRISYCWKBO-UHFFFAOYSA-N 283.371 3.747 0 40 CHAB CCCN(CCC)c1ccc([C@@H](N)c2ccccc2)cn1 72225288 QCFIARLMRRHPGJ-SFHVURJKSA-N 283.419 3.756 0 40 CHAB C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1 78556029 NSJIIMDUBQPLSR-KZULUSFZSA-N 262.349 3.836 0 40 CHAB CCC(=O)c1ccc(N(C)Cc2ccccc2)nc1C 72224435 CCWQDDWUZHXKNC-UHFFFAOYSA-N 268.360 3.619 0 40 CHAB CCOC(=O)[C@@H](C)Nc1ccc(Cl)c(C(F)(F)F)c1 33967515 SPWAOQXTQZRZHY-SSDOTTSWSA-N 295.688 3.722 0 40 CHAB O=C(O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 70453077 KRMXMDNTJAKIDL-UHFFFAOYSA-N 284.233 3.983 0 40 CHAB COc1cccc(O[C@H](C)C(=O)Nc2c(C)cccc2C)c1 40945960 AHNADTPKOZFEGF-CQSZACIVSA-N 299.370 3.718 0 40 CHAB CC(C)N1CCCC[C@@H]1c1cccnc1Br 72211629 UGBXUCSCONXPFB-GFCCVEGCSA-N 283.213 3.780 0 40 CHAB CCCC[C@H](CC)CNC(=O)Cc1ccc(OC)c(C)c1 225115870 QSNQJBZSNNKXCG-HNNXBMFYSA-N 291.435 3.879 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1C 225269039 WTEQPQQBUAPOJU-CQSZACIVSA-N 283.371 3.803 0 40 CHAB CN(C(=O)c1cc(Cl)ccn1)c1cccc2ncccc12 89843953 XDLPIDHKLSEUCU-UHFFFAOYSA-N 297.745 3.560 0 40 CHAB S=C(NCCCc1ccco1)Nc1ccccc1Cl 225804301 ZJFWOGVNUNEZBX-UHFFFAOYSA-N 294.807 3.852 0 40 CHAB Cc1cccc(CNC(=S)Nc2cccc(F)c2)c1 225426703 QOVPOIAPQGWQFM-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB CCNC(=O)c1sc2cc(Cl)ccc2c1Cl 45165438 WLVMAGVZRIKJDX-UHFFFAOYSA-N 274.172 3.958 0 40 CHAB CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 44665518 QGIOPWDJGWEYCF-UHFFFAOYSA-N 278.421 3.704 0 40 CHAB C[S@](=O)Cc1cccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c1 195548571 JZUJXHILRZARIQ-MDYRTPRTSA-N 291.460 3.946 0 40 CHAB CCC(=O)Nc1cc(N2CCCC[C@H]2C)c(N)cc1Cl 45891750 LPFMSVDUYZMLPS-SNVBAGLBSA-N 295.814 3.650 0 40 CHAB C[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 42783531 UNIFKJOYZVBQBP-MRVPVSSYSA-N 278.705 3.990 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cccc(C)c1 95115877 RNFRPMUPHJPUSP-MRXNPFEDSA-N 284.384 3.754 0 40 CHAB Cc1cn[nH]c1[C@H]1CCCN1Cc1cccc2ncccc12 257230854 GEEIKOFVCLWOKP-QGZVFWFLSA-N 292.386 3.603 0 40 CHAB Cc1cc(CO)cc(C)c1OC(=O)c1ccc(Cl)cc1 256049496 AESIOQDYZWBHPW-UHFFFAOYSA-N 290.746 3.668 0 40 CHAB Cc1cccc(Oc2ccc([C@@H]3CCCCN3)cn2)c1 257197940 OBLXLISZKREQEI-INIZCTEOSA-N 268.360 3.997 0 40 CHAB C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cscn1 296661249 ZTVHWMIQOMNAIY-NTZNESFSSA-N 274.389 3.706 0 40 CHAB COc1ccc(C)c(NC(=O)Nc2ccccc2)c1 16347513 WASZRTXLDFHLML-UHFFFAOYSA-N 256.305 3.648 0 40 CHAB O=C(O)/C=C/c1nc(-c2ccccc2Cl)n2ccccc12 65131 FRBGLBQNBZMABG-CMDGGOBGSA-N 298.729 3.753 0 40 CHAB CC(C)(C)CC(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5077179 GHOFTNCNNSYXPA-UHFFFAOYSA-N 295.452 3.760 0 40 CHAB CCOC(=O)c1c(Cl)ccc(C)c1Br 575700898 YMUSHYXPUPLYSY-UHFFFAOYSA-N 277.545 3.588 0 40 CHAB CC(C)c1ccc(C(=O)COC(=O)c2ccc(O)cc2)cc1 5694355 PHZYZXYZIXEINR-UHFFFAOYSA-N 298.338 3.555 0 40 CHAB CSc1nc2c(c(=O)[nH]1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)C2 17060354 HFVQGXYSGIZIDB-GHMZBOCLSA-N 290.432 3.514 0 40 CHAB N[C@H](c1cc(F)ccc1F)c1ccccc1Cl 19969412 UDNDGNWVVJDOQI-ZDUSSCGKSA-N 253.679 3.666 0 40 CHAB in-vitro c1ccc2c(OCCn3nnc4ccccc43)cccc2c1 235895 GYEYSXUFOWPQQO-UHFFFAOYSA-N 289.338 3.664 0 40 CHAB COc1cc(C)c(C(=O)c2ccc(Cl)cc2)cc1OC 36823909 BEMBMTRAPOFCEB-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB O=C(/C=C/c1ccoc1)NCc1ccc(-c2cccs2)o1 575608009 HJKPAGWEDLVTCE-ZZXKWVIFSA-N 299.351 3.931 0 40 CHAB O=C(NCC1(c2ccccc2)CCCCC1)c1ccoc1 40082667 PTRATAOZAHUZSX-UHFFFAOYSA-N 283.371 3.912 0 40 CHAB Clc1cc(Oc2ccccc2Br)ncn1 40431988 XNJJXSGEIKCUEW-UHFFFAOYSA-N 285.528 3.685 0 40 CHAB CC(C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 40504382 NWEFUGLHAHEDPS-VIFPVBQESA-N 259.271 3.539 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2cccs2)o1 32204976 QBMHUNCNDLRRIP-NREBYNOLSA-N 287.384 3.794 0 40 CHAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1 42307 SIHYHKOFZPWMHZ-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1cccc(N[C@H]2OC(=O)c3ccccc32)c1C 202902 NAEDYDIANMTQJU-HNNXBMFYSA-N 253.301 3.585 0 40 CHAB Cc1cc2c(N(C)C3CCCCC3)ncnc2s1 224081 JTQNEHUERAHPFP-UHFFFAOYSA-N 261.394 3.769 0 40 CHAB O=C(CCc1ccccc1)c1ccc2c(c1)OCCCO2 243952 NMQQGVOUVVSYHF-UHFFFAOYSA-N 282.339 3.663 0 40 CHAB aggregator O=C(NC1CCCCC1)c1ccc2ccccc2c1O 409812 DXYBSFJXFWUIMK-UHFFFAOYSA-N 269.344 3.608 0 40 CHAB COc1cc(Sc2ccc(C)cc2)c(OC)cc1N 501370 AXYUSGZRCTVXRG-UHFFFAOYSA-N 275.373 3.746 0 40 CHAB Cc1cc2n(n1)[C@H](c1ccc(O)cc1)Nc1c(C)cccc1-2 818123 GUCKQDKWTIDTFG-GOSISDBHSA-N 291.354 3.845 0 40 CHAB CCN(CC)C[C@@H](O)c1ccc(-c2ccccc2)cc1 1687497 FHDDQQUQUTVHET-GOSISDBHSA-N 269.388 3.729 0 40 CHAB C[C@H](CCCC(=O)c1ccc2ccccc2c1)C(=O)O 1691186 ZALCVDJWSHBRJP-GFCCVEGCSA-N 270.328 3.914 0 40 CHAB CC1(C)CCc2cc3c4c(c(=O)oc3cc2O1)CCCC4 2129750 KMTRKXDDBOQWET-UHFFFAOYSA-N 284.355 3.775 0 40 CHAB biogenic CNc1nc(-c2c(C)n(C)c3ccc(C)cc23)cs1 2239493 LAGXBWZBTKAPHK-UHFFFAOYSA-N 271.389 3.960 0 40 CHAB CC(C)(C)OC(=O)n1cccc1-c1ccc(C(=O)O)cc1 2581095 CCFNJKUCNFASJC-UHFFFAOYSA-N 287.315 3.637 0 40 CHAB C[C@H](NC(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1 3188837 SGLFHXKQHRRGFV-ZETCQYMHSA-N 299.214 3.605 0 40 CHAB biogenic Cc1cc(C)c2c(-c3ccccc3)[nH]c(=S)n2n1 3415935 XCNWZKIENFVVGY-UHFFFAOYSA-N 255.346 3.676 0 40 CHAB O=C(O)c1cccnc1Oc1ccc(Cl)cc1Cl 3604945 OEDCZDYPFJEWIH-UHFFFAOYSA-N 284.098 3.879 0 40 CHAB Cc1ccc(C(n2nc(C)cc2C)n2nc(C)cc2C)cc1 4671531 UMKZCIRWGAIGTQ-UHFFFAOYSA-N 294.402 3.717 0 40 CHAB CCCCCNC(=O)[C@@H](C)Sc1ccc(C)cc1 6597220 JNIFPWWLLVTOAP-CYBMUJFWSA-N 265.422 3.782 0 40 CHAB CC(=O)c1ccccc1NCC(=O)Nc1c(C)cccc1C 7976210 YGHUUWYDGLNIQO-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN(C)c1ccccc1 8231170 OUNNMGMUQCISQQ-UHFFFAOYSA-N 278.355 3.795 0 40 CHAB CCc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1 8383020 IPPWFKMAJUJOGP-GFCCVEGCSA-N 269.344 3.555 0 40 CHAB O=C(O)c1ccccc1C(=O)c1cccc(C(F)(F)F)c1 8393110 NOGVBNADQLELOC-UHFFFAOYSA-N 294.228 3.635 0 40 CHAB O=C1N[C@H](c2ccccc2C(F)(F)F)Nc2ccccc21 9608722 RNDNEFZMTPFNLB-CYBMUJFWSA-N 292.260 3.560 0 40 CHAB CCc1ccc(/C=C/C(=O)N2CCc3sccc3C2)cc1 10923733 PRTFIKJZWUGVTA-BQYQJAHWSA-N 297.423 3.909 0 40 CHAB Cc1ccc(C)c(Cn2c(C=O)nc3ccccc32)c1 11735067 BAUVQCIOJJEZFC-UHFFFAOYSA-N 264.328 3.514 0 40 CHAB CSc1ccc(NC(=O)c2cccnc2SC)cc1 12038622 MZVFZQGASYMBIJ-UHFFFAOYSA-N 290.413 3.778 0 40 CHAB CCN(CC)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12934146 AYONRVCPZSLARF-UHFFFAOYSA-N 270.376 3.529 0 40 CHAB CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 12964642 ZNSBGUVSOUFBOW-UHFFFAOYSA-N 296.248 3.851 0 40 CHAB CCCCCNC(=S)Nc1ccc(F)c(Cl)c1 13818898 RWYMJNDDZAGRRD-UHFFFAOYSA-N 274.792 3.956 0 40 CHAB Cc1ccc([C@@H](NC(=O)C2CC2)c2ccccc2)cc1 14577234 XNSLHZZIGUHNIU-KRWDZBQOSA-N 265.356 3.611 0 40 CHAB O=C(c1ccc(F)cc1)N1CCC[C@H]2CCCC[C@H]21 16400824 PMNCNDZGZYIUID-IUODEOHRSA-N 261.340 3.621 0 40 CHAB Cc1nc2ccccc2nc1CC(=N)c1ccccc1 17064329 DGPWSSNOALSWDN-UHFFFAOYSA-N 261.328 3.549 0 40 CHAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1N 19405887 JXRHIVJYLSWGGQ-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB COc1ccc(OC)c(CC(=O)Nc2ccc(C)c(C)c2)c1 20447794 UYBGZGPEYNLJFA-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CCc1ccco1 21353474 RZGOJDQYODWSGF-UHFFFAOYSA-N 263.724 3.813 0 40 CHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1cccs1 22384512 ZQLKKKLGJOANRV-NSHDSACASA-N 292.379 3.790 0 40 CHAB O=C(NCc1ccccc1Cl)c1ccc(F)c(F)c1F 28210871 FYIDYXVIJVWAHU-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB COc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 33145523 PMHKQOCGBCABPN-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB CNCc1cc(C)c(OCc2cccc(C)c2)c(C)c1 34656736 LUUNCKNVGWKICE-UHFFFAOYSA-N 269.388 3.910 0 40 CHAB in-vitro O=C(Nc1ccc2cc[nH]c2c1)c1noc2c1CCCCC2 36360118 HUHHJSOFOPRMGI-UHFFFAOYSA-N 295.342 3.677 0 40 CHAB C[C@H](NC(=O)C1CCC1)c1ccc(Cl)cc1Cl 36821832 OEHAVANWEQWJKL-QMMMGPOBSA-N 272.175 3.971 0 40 CHAB Cc1ccccc1[C@H](O)c1cccc(Br)c1 37465041 JVBUUXIPQHBCHL-CQSZACIVSA-N 277.161 3.839 0 40 CHAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NOCc2ccccc2)o1 40012766 MITGEGVKAGHMIW-XJKSGUPXSA-N 299.370 3.584 0 40 CHAB O=C(CC1CCCC1)Nc1nc2c(s1)CCCCC2 40034659 ZLMVLUCNHYSAKX-UHFFFAOYSA-N 278.421 3.931 0 40 CHAB CC(=O)c1cccc(NC(=O)NC2CCCCCC2)c1 40097431 PPWNCCKISKIDKC-UHFFFAOYSA-N 274.364 3.734 0 40 CHAB CC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 43656672 NHANSYIPNZEKFU-LBPRGKRZSA-N 297.358 3.528 0 40 CHAB COC(=O)c1cccc(-c2nc3ccc(F)cc3s2)c1 45920052 QOYHMWMGHRGVQT-UHFFFAOYSA-N 287.315 3.889 0 40 CHAB Cc1ccc2cc(C(=O)N(Cc3ccco3)C3CC3)[nH]c2c1 48301838 YLPKPQRNWYARCE-UHFFFAOYSA-N 294.354 3.874 0 40 CHAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCCCC1 58018594 IJRQLYOKDUSUBS-NSHDSACASA-N 291.782 3.937 0 40 CHAB COc1ccccc1C[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 65621180 OFULDELIJMZMNC-RDJZCZTQSA-N 299.414 3.585 0 40 CHAB Clc1ccc(COc2ncnc3sccc23)cc1 66058629 JPVCHMFDDKRFIS-UHFFFAOYSA-N 276.748 3.924 0 40 CHAB CC(=O)N1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 72213993 LYRCIXDTCMBNRM-INIZCTEOSA-N 287.407 3.510 0 40 CHAB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)C3=CC[C@@]21C 77300691 CAXJKYOXSOIPHO-XWSJACJDSA-N 286.415 3.943 0 40 CHAB in-vitro Cc1occc1C(=O)NCC1(c2ccncc2)CCCCC1 96011845 CMNOKIXYDYBIJS-UHFFFAOYSA-N 298.386 3.615 0 40 CHAB CC(C)(C)S[C@@H]1CCN(C(=O)Nc2cccs2)C1 96120049 QGDYECDFBAHOEO-SNVBAGLBSA-N 284.450 3.886 0 40 CHAB C[C@H](c1ccccn1)N(C)Cc1csc(-c2ccoc2)n1 96485804 DJPFIZQDZXRSGW-GFCCVEGCSA-N 299.399 3.991 0 40 CHAB O=C(NCc1ccccc1)C12CCC3C[C@@H](C[C@H](C3)C1)C2 100483660 PKOHGORCSUVXPC-VIHIWDAPSA-N 283.415 3.909 0 40 CHAB Cc1c(N)cccc1-c1noc(C2CCCCC2)n1 140337398 CYJVZAWORVABNB-UHFFFAOYSA-N 257.337 3.675 0 40 CHAB FC(F)(F)c1cc(Br)cc(C2OCCO2)c1 142157707 WTVMIHPCQMLCHB-UHFFFAOYSA-N 297.070 3.513 0 40 CHAB Cc1ccc(COc2cc(Cl)c(O)c(C(=O)O)c2)cc1 216753374 AXXCDQRGGTUGBF-UHFFFAOYSA-N 292.718 3.631 0 40 CHAB Cc1cc(C)c(C[C@@H](Oc2ccccc2)C(=O)O)c(C)c1 225135530 KQRYAPFTTMLRHC-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1 225612612 LOHUYTPGPXXBMN-INIZCTEOSA-N 279.380 3.537 0 40 CHAB CCCCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225660359 DCRFLUDYNNNTQT-CQSZACIVSA-N 289.419 3.639 0 40 CHAB CCCNC(=O)N[C@@H](c1ccccc1)c1ccccc1C 225773473 QZKLAPVPMSMRQA-KRWDZBQOSA-N 282.387 3.794 0 40 CHAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1Cl 226347012 ROMKQGXFRCAQQL-UHFFFAOYSA-N 278.714 3.622 0 40 CHAB COc1cc(Cl)c2cc(Br)ccc2n1 328578890 YWRQMLNEJCIMGB-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB CCCCCN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 409213787 VFAUKJJZZRLSOZ-RAXLEYEMSA-N 291.372 3.619 0 40 CHAB O=C(c1ccc(OC(F)(F)C(F)F)cc1)C1CCC1 575360847 JUMPXHMTZLOPLN-UHFFFAOYSA-N 276.229 3.906 0 40 CHAB CO[C@@H]1CCN(C2CCCC2)C[C@H]1Cc1ccccc1F 1615140671 UAFQKHQFKQBOKL-CRAIPNDOSA-N 291.410 3.648 0 40 CHAB Clc1cnccc1N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1888843465 YCSHDABRGJTZLD-STQMWFEESA-N 260.768 3.957 0 40 CHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1N 447 SOXAGEOHPCXXIO-WOSRLPQWSA-N 275.392 3.886 0 40 CHAB in-man CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3C(=O)[C@@H](C)CC[C@@H]32)C1 526432 GOCNYSCJLWRRBG-IKKBDOILSA-N 290.403 3.670 0 40 CHAB CC(=O)c1ccc(Cc2ccc(C(C)=O)s2)s1 1763588 DFILLCMQRDMPAT-UHFFFAOYSA-N 264.371 3.806 0 40 CHAB CCN(C(=O)c1cc2ccccc2oc1=O)C1CCCCC1 887157 XHQZCLKELNZTHY-UHFFFAOYSA-N 299.370 3.588 0 40 CHAB biogenic O=C1O[C@@H](Nc2cccc3ncccc23)c2ccccc21 2431582 PYHLGIWFQBOINA-MRXNPFEDSA-N 276.295 3.516 0 40 CHAB Cc1ccccc1NCn1c(C)nc2ccccc21 3152067 ILPOUEUBGZWVKZ-UHFFFAOYSA-N 251.333 3.723 0 40 CHAB O=Cc1cccn1-c1ccc(OCc2ccccc2)cc1 3676302 LJKXQTXJGLJEBI-UHFFFAOYSA-N 277.323 3.869 0 40 CHAB O=C1CCC[C@H]2[C@@H]1CCC[C@@]2(O)CCc1ccccc1 4529726 NFYFKILLGXOWOJ-XYJFISCASA-N 272.388 3.520 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1cc(F)cc(F)c1 7970672 BKDNEAIZLAAKBA-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB Cc1cccc(CNC(=O)CSCc2cccc(C)c2)c1 26017948 RFTFGZGIMOYWJO-UHFFFAOYSA-N 299.439 3.853 0 40 CHAB CCCCCn1nnc2sc(-c3ccccc3)cc2c1=O 1785054 QXZVLVPWQODTCS-UHFFFAOYSA-N 299.399 3.710 0 40 CHAB c1ccc(-c2nc(CSc3nncs3)cs2)cc1 57963313 YBUGRMHZKDASDZ-UHFFFAOYSA-N 291.426 3.954 0 40 CHAB O=C(Oc1ccc2oc3ccccc3c2c1)C1CCOCC1 23270661 ZPMCDSPTGYPFJT-UHFFFAOYSA-N 296.322 3.918 0 40 CHAB CC(C)N(C)CCCCNC(=O)c1ccc2ccccc2c1 58427720 KXVHRMALOPGQCP-UHFFFAOYSA-N 298.430 3.690 0 40 CHAB CCN[C@H](c1ccc(C(C)C)cc1)c1cccnc1 36819984 XCLOFVSSVHNWOB-QGZVFWFLSA-N 254.377 3.904 0 40 CHAB in-vitro O=C(O)c1ccc(Nc2ccnc3cc(F)ccc23)cc1 64874564 QJIJAMGPDVSBIJ-UHFFFAOYSA-N 282.274 3.816 0 40 CHAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1O 12851309 CUUKNNUUJXKGSN-CYBMUJFWSA-N 299.370 3.923 0 40 CHAB CC(C)c1ccc([C@@H](C)NC(=O)c2cccn2C)cc1 13006205 KLPSGTUCBIXMPU-CYBMUJFWSA-N 270.376 3.640 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1cc(F)ccc1Cl 72331808 XWXOXRIAJWDFLA-OAHLLOKOSA-N 289.737 3.896 0 40 CHAB CC1CCC(NS(=O)(=O)c2ccc(C(C)C)cc2)CC1 14251809 NFEVSHUQHZOSBX-UHFFFAOYSA-N 295.448 3.667 0 40 CHAB CC[C@H](C)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 4666371 PPXIKLMMTTXNLM-UONOGXRCSA-N 261.409 3.903 0 40 CHAB Cc1ccc2c(c1)C(=O)C[C@H](C)N2C(=O)c1ccc(F)cc1 4603408 JNPHULMUQLPWCC-LBPRGKRZSA-N 297.329 3.756 0 40 CHAB CCOCCCNCc1ccc(-c2ccccc2F)o1 7524309 GBJOEURCTUGEBT-UHFFFAOYSA-N 277.339 3.602 0 40 CHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CC=CCC1 8165507 ODQATMMMGPJAQY-HNNXBMFYSA-N 284.403 3.972 0 40 CHAB C[C@@H](CC(=O)Nc1ccccc1O)c1ccccc1 9723057 YAOWTDNQEPTARP-LBPRGKRZSA-N 255.317 3.525 0 40 CHAB O=C1NN=C(c2ccccc2)C/C1=C/c1ccc(Cl)cc1 5736226 FCPXQRHWKRWJCS-UVTDQMKNSA-N 296.757 3.648 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc(COc2ccccc2C)o1 32610786 CFMTZIMXJMVXDZ-CYBMUJFWSA-N 287.359 3.695 0 40 CHAB Cc1c(C(=O)O)c2ccccc2n1Cc1ccc(F)cc1 216947063 QCYWIGFVVBFPMN-UHFFFAOYSA-N 283.302 3.835 0 40 CHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c(C)c1 225731520 GUFBMAWUDLQTLE-QGZVFWFLSA-N 293.407 3.928 0 40 CHAB CCN(c1c(C)cccc1C)S(=O)(=O)c1cccs1 225120865 JGNXCTIYQFQLSS-UHFFFAOYSA-N 295.429 3.580 0 40 CHAB CCCCCCC(=O)c1ccc(C2OCCO2)s1 43210333 BEUKMUFHIJVHMX-UHFFFAOYSA-N 268.378 3.947 0 40 CHAB Cc1cccc(NC(=S)N[C@H](C)c2ccc(F)cc2)n1 225475067 CIORNCPIHKBJTK-LLVKDONJSA-N 289.379 3.577 0 40 CHAB C[C@@H](SC[C@H](O)C(F)(F)F)c1nc2ccccc2o1 191154453 XPAVJPONPDMEMV-XCBNKYQSSA-N 291.294 3.545 0 40 CHAB CCOc1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 225322726 KPHHIKZKAGKNGZ-LALPHHSUSA-N 290.432 3.560 0 40 CHAB O=Cc1cn(C(=O)OCc2ccccc2)c2ccc(F)cc12 199814186 DUOCTSQPWGZIAQ-UHFFFAOYSA-N 297.285 3.778 0 40 CHAB CC(C)Oc1ccc(CN[C@H](C)C2CCOCC2)cc1F 96477240 XYWNLUWXDKYXHE-CYBMUJFWSA-N 295.398 3.518 0 40 CHAB C[C@H]1Cc2c(ccc3c(=O)cc(-c4ccccc4)oc23)O1 96306247 ZIGGIWVMPUXTCD-NSHDSACASA-N 278.307 3.783 0 40 CHAB O=C(COc1ccccc1)c1cc(F)cc(Cl)c1 95916241 QSBPXWCYSLXJJT-UHFFFAOYSA-N 264.683 3.741 0 40 CHAB Cc1ccc(Oc2ccc(F)cc2OCCN(C)C)cc1 585265260 KZQVVBITURSEFW-UHFFFAOYSA-N 289.350 3.867 0 40 CHAB FC(F)(F)c1cc2ccc(Br)cc2[nH]1 76699069 KSBHDTNUEBRGFF-UHFFFAOYSA-N 264.044 3.949 0 40 CHAB CC[C@@H](CSC(F)(F)F)NC(=O)OC(C)(C)C 95918452 FGEBZDHZUBWRBL-ZETCQYMHSA-N 273.320 3.543 0 40 CHAB CSCc1ccnc(NCc2ccsc2)c1 89493781 DVCBCTYAUGAATO-UHFFFAOYSA-N 250.392 3.618 0 40 CHAB Cc1nccn1CCCNc1cccc2ccccc12 95454326 JBPFQXYENTVGNV-UHFFFAOYSA-N 265.360 3.847 0 40 CHAB Cc1ccc(COC(=O)c2c[nH]c3ccccc23)cc1 5090557 QIDFLGWHFONDAC-UHFFFAOYSA-N 265.312 3.833 0 40 CHAB Cc1ccc2cccc(OC(=O)/C=C\c3ccco3)c2n1 13634876 AOBMUYDJVDGTLV-KTKRTIGZSA-N 279.295 3.755 0 40 CHAB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccc(O)cc3)[C@@H]1[C@H]2C 16029320 UVEZFZYRAYSXIF-RJYFRHEOSA-N 258.361 3.928 0 40 CHAB CCC(CC)c1nnc(NC(=O)c2ccc(F)cc2)s1 804641 GOKLPYHWVPDAJC-UHFFFAOYSA-N 293.367 3.833 0 40 CHAB CSc1nc(-c2cccc(C(F)(F)F)c2)ns1 1888866980 OYMKCGAOBDBSMP-UHFFFAOYSA-N 276.308 3.946 0 40 CHAB C[C@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@@H]1C 10449969 XRCOJZOQKGXWLI-STQMWFEESA-N 299.345 3.571 0 40 CHAB CC[C@@H](C)c1ccccc1OCCC1CCNCC1 20593608 XKXRNICQAWFHIY-CQSZACIVSA-N 261.409 3.969 0 40 CHAB Cc1oc(C)c(C(=O)NCCC2=CCCCC2)c1C 32808736 DGDATWCXUVTVLE-UHFFFAOYSA-N 261.365 3.825 0 40 CHAB Cc1ccc([C@@]2(CC(=O)O)CCO[C@H](C(C)C)C2)cc1 488610 ZSAAYPTYOKXXHF-RDJZCZTQSA-N 276.376 3.543 0 40 CHAB biogenic O=C(Oc1cccc2cccnc12)c1cccc(F)c1 177907 MOHPFGWDSJMANW-UHFFFAOYSA-N 267.259 3.593 0 40 CHAB COc1ccccc1-c1noc([C@H]2C[C@@H]2c2ccco2)n1 83982732 DKDOCGMDSKVVOE-RYUDHWBXSA-N 282.299 3.609 0 40 CHAB COC(=O)c1cc2c(C(F)(F)F)cccc2s1 12336628 YIBQKUYCGBJTHR-UHFFFAOYSA-N 260.236 3.707 0 40 CHAB CCC(=O)O[C@H](C)COc1ccc([C@@H](C)CC)cc1 1583903 CFRSYUAGQLXQKM-QWHCGFSZSA-N 264.365 3.921 0 40 CHAB Cc1c(Cl)cccc1NC(=O)Nc1nccs1 1741554 UMOGGTFTJKZJCN-UHFFFAOYSA-N 267.741 3.749 0 40 CHAB CCn1c(NCc2ccccc2)nc2ccccc21 814085 ZOTZRLNEVGRAFM-UHFFFAOYSA-N 251.333 3.668 0 40 CHAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H](F)C(F)(F)F 3183079 ODKRHCWTYSDCBQ-SSDOTTSWSA-N 290.043 3.832 0 40 CHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 4023794 CBMYJHIOYJEBSB-QFIIDBSYSA-N 292.463 3.751 0 40 CHAB endogenous,in-man Cc1cccc(C)c1OCc1nc2ccccc2[nH]1 976767 WKPWSGYVNDWGMJ-UHFFFAOYSA-N 252.317 3.759 0 40 CHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1F)CC2=O 100615955 CBGXENVQPGIOEM-IRXDYDNUSA-N 289.350 3.550 0 40 CHAB Cc1cc2nc(-c3ccc(Cl)nc3)n(C)c2cc1C 1383357 OJPGWCVHWXNISK-UHFFFAOYSA-N 271.751 3.906 0 40 CHAB C[C@@H](NCc1sccc1Br)c1ccccn1 43674942 LBSSPIRKEKQACC-SECBINFHSA-N 297.221 3.756 0 40 CHAB Cc1ccc(NCc2nc3n(n2)CCCCC3)cc1Cl 28527873 DBCDWWPABLGUNI-UHFFFAOYSA-N 290.798 3.578 0 40 CHAB Cc1cccc(C)c1OC(=O)[C@@H]1Cc2ccccc2S1 24950313 CPUXWXCSTFSSBN-HNNXBMFYSA-N 284.380 3.926 0 40 CHAB CC(C)(C)c1nnc2sc(-c3c[nH]c4ccccc34)nn12 9548002 NNWRPTGOPMZBRY-UHFFFAOYSA-N 297.387 3.632 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)Cc1noc2ccccc12 12791954 YNFOQBLQLDXFOT-ZDUSSCGKSA-N 294.354 3.556 0 40 CHAB COC(=O)c1ccc(OCc2cccc(F)c2)c(Cl)c1 57651178 AHPNVICRGDHRIR-UHFFFAOYSA-N 294.709 3.845 0 40 CHAB Clc1cccc(CNCCOc2ccccn2)c1Cl 57353335 POEADELEHOVJTK-UHFFFAOYSA-N 297.185 3.557 0 40 CHAB CC1(C)[C@H]2C[C@@H]3[C@@H](C[C@@H]21)C3(Br)Br 101038007 OHSGNHWOJHOBMZ-RULNZFCNSA-N 294.030 3.785 0 40 CHAB COc1ccc(OC)c2c1[C@H]1[C@H]3C4C5[C@@]6(CC=CC[C@@]516)[C@H]2[C@H]43 104289927 XMXRUOZBHCNPLA-KLHPPNLNSA-N 292.378 3.727 0 40 CHAB CCN(C(=O)/C=C/c1cccs1)C1CCCCC1 58118930 PHRKRUBQTGSLDB-ZHACJKMWSA-N 263.406 3.943 0 40 CHAB CCCNC(=O)N1CCC[C@H]1CC1CCCCC1 60798452 VGDAKCHSBZPJIM-AWEZNQCLSA-N 252.402 3.541 0 40 CHAB COc1ccc(CCNc2cc(C)cc(C)c2)cc1 19737751 UUGUMIPYDWENKT-UHFFFAOYSA-N 255.361 3.967 0 40 CHAB Cc1cccc(NC(=S)NN2[C@H](C)CCC[C@H]2C)c1C 15348246 CQUJIVPFAMEABD-CHWSQXEVSA-N 291.464 3.768 0 40 CHAB CCCC(CCC)C(=O)NCCc1cccs1 68741093 IALBECJWDYXGMB-UHFFFAOYSA-N 253.411 3.623 0 40 CHAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1ccc(F)cc1 8553296 UWBNPVDYTHSVEP-MJBXVCDLSA-N 293.382 3.634 0 40 CHAB c1cc(CNC2CCCCCC2)cc(N2CCCCC2)n1 69711090 UIXORUCETAAQDY-UHFFFAOYSA-N 287.451 3.884 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 18173623 RYXJLNZUQVEXSV-LLVKDONJSA-N 286.297 3.801 0 40 CHAB Cn1cc(CN[C@@H](c2ccccc2F)C2CCCC2)cn1 88765583 PVZQVPDTCHWAFH-QGZVFWFLSA-N 287.382 3.580 0 40 CHAB CCN(CC)Cc1ccccc1CNC(=O)CC(C)(C)C 39995697 WWQSUIRYIMRKQU-UHFFFAOYSA-N 290.451 3.581 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2cccc(C)c2)cc1 30753840 WCFZCXVEHMGVKF-AWEZNQCLSA-N 253.345 3.794 0 40 CHAB c1ccc(Sc2ncccc2[C@H]2CCCN2)cc1 72217644 ABJIBAJRYAOASR-CQSZACIVSA-N 256.374 3.657 0 40 CHAB CN1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357516 UGDQORHOTIQOQM-KRWDZBQOSA-N 270.351 3.578 0 40 CHAB CCc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)o1 79043220 VCWHHWSRXOYCKE-UHFFFAOYSA-N 254.289 3.576 0 40 CHAB Cn1cnc2cc(OC(=O)c3cc4ccccc4o3)ccc21 70974227 CBADXIBMLMDVDV-UHFFFAOYSA-N 292.294 3.539 0 40 CHAB O=C(NCCc1ccccc1)N[C@@H](c1ccccc1)C1CC1 31028184 NCTCQNAQZKKAKY-SFHVURJKSA-N 294.398 3.680 0 40 CHAB CC[C@H]1N=C(C)c2cccn2-c2cc3c(cc21)OCCO3 225375243 ZPRWQJWANBGRBH-CYBMUJFWSA-N 282.343 3.522 0 40 CHAB Cc1cc(CNc2ccccc2OCC(F)(F)F)on1 290497886 KCYVCPZTNCPPIU-UHFFFAOYSA-N 286.253 3.536 0 40 CHAB CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(CC)OC)cc1 225600980 HBYXQHXXCFRIKZ-LRDDRELGSA-N 279.380 3.618 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)NCCC(C)C)c1 224153128 QMPNXUINLVUWOC-UHFFFAOYSA-N 277.408 3.660 0 40 CHAB Cc1ccc([C@@H](C)NCCCc2c(C)noc2C)cc1 95423668 KHKBYMOIQGQANP-CYBMUJFWSA-N 272.392 3.883 0 40 CHAB CCCC[C@@H](NNc1nc(C)cc(C)n1)c1ccccc1 98086608 APDRGNBQUNWWDB-MRXNPFEDSA-N 284.407 3.941 0 40 CHAB O=C(/C=C/c1ccoc1)N1CCC(c2cccs2)CC1 96120601 DREAGLJHTBGJGQ-ONEGZZNKSA-N 287.384 3.761 0 40 CHAB CC(C)(C)OC(=O)Nc1cccc(Br)c1F 75926103 JUOBTFMEQFYGLH-UHFFFAOYSA-N 290.132 3.935 0 40 CHAB Cc1cc(C(=O)N(CCc2cccs2)C2CC2)c(C)o1 75154782 PTVJYTHWGSDJPM-UHFFFAOYSA-N 289.400 3.805 0 40 CHAB Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1ccsc1 90765007 VBQAEYZCXGLQCS-UWVGGRQHSA-N 264.394 3.807 0 40 CHAB c1csc(-c2ncc(CN3CCCSCC3)s2)c1 95468623 REQISIKASUTECS-UHFFFAOYSA-N 296.486 3.811 0 40 CHAB CCCCOc1ccc(Br)cc1/C=C/C(=O)O 11797456 GZMPNPLBFRWYOE-QPJJXVBHSA-N 299.164 3.726 0 40 CHAB O=C(Nc1nc2ccccc2s1)c1ccc(Cl)o1 13012014 QLLXCHZQNQIHOD-UHFFFAOYSA-N 278.720 3.795 0 40 CHAB CC[C@@H](O)C[C@@H]1C(C)=C[C@@H]2CCCC[C@@H]2[C@@]1(C)C(=O)O 13368933 HIVVBTLNCFFLPO-LVNYTYFRSA-N 280.408 3.621 0 40 CHAB biogenic,in-vitro CCN(C(=O)/C=C\c1ccccc1)C1CCCCC1 17024136 MBEQPKQLCZOANA-YPKPFQOOSA-N 257.377 3.881 0 40 CHAB CC(=O)n1nc(-c2ccccc2)c(Cl)c1C(F)(F)F 2379335 XKZXHXWVTWSXJA-UHFFFAOYSA-N 288.656 3.882 0 40 CHAB O=C(CC1CCCC1)NCc1cc(-c2cccs2)on1 12235713 BSMLQNSCMOTHKH-UHFFFAOYSA-N 290.388 3.600 0 40 CHAB CO[C@H]1CCCC[C@@H]1N[C@@H]1CCCc2ccccc21 1214712 CRUFBTYGTDNZMU-IKGGRYGDSA-N 259.393 3.611 0 40 CHAB COc1ccc(CC(=O)c2cccc(Cl)c2)cc1 38126161 ZOXLMODLRTVGSH-UHFFFAOYSA-N 260.720 3.774 0 40 CHAB COc1ccc(F)cc1-c1csc(NC(=O)C(C)C)n1 40111264 RZGZFICDKSQYLO-UHFFFAOYSA-N 294.351 3.552 0 40 CHAB CC[C@@H](C)[C@@H](C(=O)Nc1nnc(C)s1)c1ccccc1 32992756 CGDCBCPFRCOMTF-ZWNOBZJWSA-N 289.404 3.615 0 40 CHAB O=C(c1sccc1-c1ccccc1)N1CCCC1 32975560 ZWBMFBVBRODAFA-UHFFFAOYSA-N 257.358 3.651 0 40 CHAB C[C@@H](NC(=O)c1cc(-c2ccccc2)no1)c1ccccc1 32913605 LJTSTGZGMLFODF-CYBMUJFWSA-N 292.338 3.833 0 40 CHAB FC(F)(F)c1nnc(-c2cccc3ccccc23)o1 499700 TYURTHGAVHCIHW-UHFFFAOYSA-N 264.206 3.909 0 40 CHAB Cc1ccc2cc3cc(C(=O)N4CCCC4)sc3nc2c1 420616 PECHLNQFOSAQDK-UHFFFAOYSA-N 296.395 3.994 0 40 CHAB C[C@@H](O)c1cnc(-c2ccc(Br)cc2)s1 54160758 AMWYWMJSHXIUJH-SSDOTTSWSA-N 284.178 3.626 0 40 CHAB in-vitro COc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CO2 54991648 ORJXFTUEEIOZHS-UHFFFAOYSA-N 289.762 3.701 0 40 CHAB Cc1ccc(NC(=O)N/C=C/c2ccccc2)cc1 1388851 SCBTTXOPEUARMB-VAWYXSNFSA-N 252.317 3.787 0 40 CHAB C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2N)C1 8702533 IOGJSNXLAMOEPF-SECBINFHSA-N 258.287 3.524 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2sc(C)nc2C)s1 44979601 JFKCPOLDHIPULZ-VIFPVBQESA-N 280.418 3.621 0 40 CHAB Cc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 12795190 VELRSRCKAOZSGV-UHFFFAOYSA-N 294.358 3.573 0 40 CHAB Nc1c(-c2ccccc2)cnn1-c1cccc(Cl)c1 2508430 LCEMVLFMDXNHHN-UHFFFAOYSA-N 269.735 3.775 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)C1CCCC1 20457145 JNIZWPDOCJHJFX-INIZCTEOSA-N 289.419 3.862 0 40 CHAB CCC(CC)C(=O)Nc1nc(-c2ccc(F)cc2)ns1 11913864 DCDHEJYRBNJZAH-UHFFFAOYSA-N 293.367 3.719 0 40 CHAB CNc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 38057362 AMPKCSDOQIIDTD-UHFFFAOYSA-N 268.238 3.934 0 40 CHAB in-vitro C[C@@H]1CCCC[C@H]1n1c(-c2cccnc2)n[nH]c1=S 13142544 PUJQPRBCIATNGV-ZYHUDNBSSA-N 274.393 3.754 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(C)cc1 113954689 CEOBIZQFODOEDL-HNNXBMFYSA-N 297.398 3.641 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1cc(-c2ccco2)on1 14169908 RWYSAGRRDQWJRZ-UHFFFAOYSA-N 286.262 3.634 0 40 CHAB COc1ccc(-c2cnc(NCc3ccccc3)n2C)cc1 4678650 LCFKPIJCXUNQQX-UHFFFAOYSA-N 293.370 3.708 0 40 CHAB C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccncc1 5636258 ZIZGKWATVUCBJM-NSHDSACASA-N 286.400 3.513 0 40 CHAB Cc1ccc(OCCCCCn2ccnc2)c(C)c1 16662240 LZJPBCBPBUEQTA-UHFFFAOYSA-N 258.365 3.749 0 40 CHAB Cc1cccc(NC(=O)CCc2nc3ccccc3s2)n1 69741368 PQARSLSTWGWTPF-UHFFFAOYSA-N 297.383 3.571 0 40 CHAB Cc1cc2c(cc(C(=O)O)n2CCC(C)C)s1 409423734 UNGDPKFVEHHGEN-UHFFFAOYSA-N 251.351 3.756 0 40 CHAB CCc1c(-c2ccc(OC)cc2)c(=O)oc2cc(O)ccc12 1631270 OFVOGSOIXOYRRC-UHFFFAOYSA-N 296.322 3.737 0 40 CHAB biogenic,in-vitro c1ccc(Sc2ncccc2[C@@H]2CCCN2)cc1 72217643 ABJIBAJRYAOASR-AWEZNQCLSA-N 256.374 3.657 0 40 CHAB CN1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217587 CFFJOFAQCMJIDR-HNNXBMFYSA-N 270.401 4.000 0 40 CHAB O=C(Oc1cccc(CO)c1)c1cccc2ccccc12 216776227 UTYDCASCTLYLKY-UHFFFAOYSA-N 278.307 3.551 0 40 CHAB COc1ccc(CCCNC(=O)c2cc(C)ccc2C)cc1 79849250 DPIOCOADXRZFKJ-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB CCCNC(=O)c1cc(N)ccc1N[C@@H](C)c1ccccc1 225458720 XNORFQXPLKESKS-ZDUSSCGKSA-N 297.402 3.582 0 40 CHAB O=C(O)/C=C/c1ccc(C(F)(F)F)cc1C(F)(F)F 44201124 YGAXXKKVJARVCF-DUXPYHPUSA-N 284.155 3.822 0 40 CHAB Cc1occc1C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 84041843 PMKMLRMRQIWYLI-OAHLLOKOSA-N 297.354 3.764 0 40 CHAB Cc1nc(C)c([C@@H](C)NC(=O)NC2CCCCCC2)s1 56487640 OSKHFQYTMBRHKH-LLVKDONJSA-N 295.452 3.843 0 40 CHAB Fc1ccc(CNCCCSC(F)(F)F)cc1 95918332 BDRQEXPWYASVHW-UHFFFAOYSA-N 267.291 3.558 0 40 CHAB Brc1ccc(CNCCc2ccccc2)cc1 19919717 GVTVQPTXNOXUCH-UHFFFAOYSA-N 290.204 3.781 0 40 CHAB O[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1cccc(F)c1 1615140638 QUQADAQCRJRAPT-ROUUACIJSA-N 291.410 3.526 0 40 CHAB CCO[C@H]1CN=C(Nc2cccc3ccccc23)S1 5499857 WYFBKFOXIUUMFQ-CQSZACIVSA-N 272.373 3.717 0 40 CHAB Cc1cc(NC(=O)C23CC4C[C@H](CC[C@@H](C4)C2)C3)no1 101024400 ZMDMTPIUACZQBD-HSWOEZIZSA-N 274.364 3.528 0 40 CHAB Cc1cc(NC(=O)[C@@H](C)Sc2ccccc2Cl)on1 10999769 HZIJKLLQLUPYNF-SECBINFHSA-N 296.779 3.756 0 40 CHAB CC1=C(CC[C@]2(C)OC(=O)N(C)[C@]2(C)O)C(C)(C)CCC1 1025475 DZOGJWVBHKHVCK-DLBZAZTESA-N 295.423 3.842 0 40 CHAB CCNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 6773139 OFCFZMWIMVHXBF-UHFFFAOYSA-N 281.315 3.636 0 40 CHAB CCCC[C@H](CC)C(=O)c1ccc(N2CCOCC2)cc1 575358560 FCYGTDDEVLTLJP-HNNXBMFYSA-N 289.419 3.922 0 40 CHAB Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCC3)cc1 15953377 PZBQWXVZZSOMEC-UHFFFAOYSA-N 275.375 3.686 0 40 CHAB COC(=O)c1cccc2c1N[C@H]1C[C@@H](C)CC[C@@H]1C2(C)C 4817094 LEVRTGSAASAKJI-WHOFXGATSA-N 287.403 3.981 0 40 CHAB CC[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 40097907 HMRWRAAXUPJFKH-QMMMGPOBSA-N 260.259 3.625 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCCC[C@@H]1C 32968947 XSGWOWWFMUJJQT-LBPRGKRZSA-N 284.359 3.665 0 40 CHAB Cc1nc(N2CCCC2)c2c3c(sc2n1)C[C@H](C)CC3 351642 SODYMUIATYKVRY-SNVBAGLBSA-N 287.432 3.725 0 40 CHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 508343 OYQIBSICTDXPLI-SNVBAGLBSA-N 299.761 3.707 0 40 CHAB CC(C)Cn1c(-c2ccco2)nc2nc3ccccc3nc21 540303 OXWDTZIEGACPLF-UHFFFAOYSA-N 292.342 3.896 0 40 CHAB Cc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 553936 VFSFFGQJXQCUCF-UHFFFAOYSA-N 292.367 3.828 0 40 CHAB CCOc1cccc(C(=O)Nc2cc(C)cc(C)c2)c1 569604 RQTGRFCFNBIFPY-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB O=C1CCCc2ccccc2N1Cc1ccc(F)cc1 1386947 UPTZVCOKJRDHQD-UHFFFAOYSA-N 269.319 3.695 0 40 CHAB CCOC(=O)[C@@]1(F)CC1(c1ccccc1)c1ccccc1 1609796 ZLAGSCNFMNZRJL-SFHVURJKSA-N 284.330 3.648 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1ccccc1CN1CC=CC1 2515916 LODAUDHCEHZJEX-UHFFFAOYSA-N 299.320 3.568 0 40 CHAB O=C(O)CCC(=O)c1cccc(Oc2ccccc2)c1 2571458 POKGFIGOMDBVKX-UHFFFAOYSA-N 270.284 3.526 0 40 CHAB O=C(Nc1ccccc1)c1c2c(nc3ccccc13)CCC2 3247994 YQOJRONBNUQARO-UHFFFAOYSA-N 288.350 3.976 0 40 CHAB Cc1ccc(NC(=O)c2ccc3ncsc3c2)c(O)c1 3336310 ACEXXAPJZXNXTN-UHFFFAOYSA-N 284.340 3.563 0 40 CHAB CC(=O)Nc1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 4739964 IVJQJLNNBRGYGJ-UHFFFAOYSA-N 280.371 3.782 0 40 CHAB CCN(CC)C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C 4743798 IEVVHMTWFAUOKJ-MCIONIFRSA-N 255.402 3.926 0 40 CHAB CCC[C@@H](C)NC(=O)CSCc1cccc(Cl)c1 6324829 QKFRZWMSQSKLKY-LLVKDONJSA-N 285.840 3.878 0 40 CHAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3)ccc2o1 9377380 JMMQUXGNUAKXSY-NSHDSACASA-N 295.342 3.575 0 40 CHAB O=C(Nc1cccnc1)c1csc(-c2ccc(F)cc2)n1 12534468 KQWYKKXYUZCSDB-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)n1 12538879 ZDHWEWXQIOKUAV-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB O=C(Nc1ccccc1OC(F)F)c1ccc(F)c(F)c1 12599216 KJKFFCPUPQWQGH-UHFFFAOYSA-N 299.223 3.819 0 40 CHAB CSc1cccc(NC(=O)c2ccc[nH]c2=S)c1 14061844 HRVALUDBFMKQLC-UHFFFAOYSA-N 276.386 3.718 0 40 CHAB CC(=O)O[C@@H](c1ccccc1)[C@H](OC(C)=O)c1ccccc1 16922486 YERNEDFODXSYDP-HDICACEKSA-N 298.338 3.595 0 40 CHAB Nc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl 19736449 SOWUSVCXQUGNCA-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Cc1nnc(SCC(=O)c2ccc(Cl)s2)s1 19849262 CMSRMGIINYKYTJ-UHFFFAOYSA-N 290.822 3.536 0 40 CHAB O=C(/C=C/c1ccccc1F)Nc1ccc(Cl)cn1 26088058 GABRBTHXMUZJGC-VMPITWQZSA-N 276.698 3.526 0 40 CHAB CCCC(=O)Nc1ccc(Br)c2cccnc12 27930481 FYBKXHCSKQOJGF-UHFFFAOYSA-N 293.164 3.736 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)C1CCCC1 30758163 FPUXRUQGCWECNC-NSHDSACASA-N 281.783 3.508 0 40 CHAB CC[C@@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(O)cc5c4CCN(C2)[C@H]13 31750079 RAUCDOKTMDOIPF-YFZTVDGESA-N 296.414 3.634 0 40 CHAB CC[C@H](CNC(=O)CCc1ccco1)c1ccccc1 32722752 NIHKTQJVNWLSRE-CQSZACIVSA-N 271.360 3.522 0 40 CHAB CCCCC[C@H](C)NCc1cc(OC)ccc1OC 35133999 YUALOCQDNCKIFV-ZDUSSCGKSA-N 265.397 3.762 0 40 CHAB CC(C)c1cccc(NC(=O)NCc2ccccn2)c1 40012752 SWNWAVWFDOSCCZ-UHFFFAOYSA-N 269.348 3.527 0 40 CHAB CC[C@H](C)c1cc(Cl)ccc1O[C@H]1CCNC1 42775445 URZNKYWYDYHNAF-JQWIXIFHSA-N 253.773 3.594 0 40 CHAB CC[C@H](C)OCc1ccc(Br)cc1F 49601206 IKHJHEPEBDXIGY-QMMMGPOBSA-N 261.134 3.903 0 40 CHAB CCOCCSc1nnc(-c2ccc(Cl)cc2)o1 57759245 UKZHTGNWTHVPDP-UHFFFAOYSA-N 284.768 3.519 0 40 CHAB CCC(=O)c1ccc(SCc2ccccc2)nc1 72225406 BGYKIEQOHZPULU-UHFFFAOYSA-N 257.358 3.967 0 40 CHAB CCn1ncc2c1CCC[C@H]2NCc1cccc(Cl)c1 72298482 UJJLSEIGQSYKBC-OAHLLOKOSA-N 289.810 3.724 0 40 CHAB CCCCc1sc(C(=O)OC)cc1Br 85393208 PUJDCJLIZUQUJZ-UHFFFAOYSA-N 277.183 3.640 0 40 CHAB Cc1cccc2c1C(=O)N[C@@H](c1cnc(C3CCC3)s1)N2 89688965 NMGGGIIOSOCNQA-AWEZNQCLSA-N 299.399 3.573 0 40 CHAB O=C(Oc1ccc2nccnc2c1)c1cccc(Cl)c1 89864647 OEYIWYJHYAZWCD-UHFFFAOYSA-N 284.702 3.502 0 40 CHAB COc1cc(C(=O)c2ccc(F)c(Cl)c2)ccc1F 95916173 WRCVOGORBKAUPA-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB C[C@@H](Nc1cccc([S@@](C)=O)c1)c1ccccc1F 97045873 IUVBAVQXPLZJHS-WYRIXSBYSA-N 277.364 3.736 0 40 CHAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccc(F)cc2)C1 100642103 XAWQABVNPUODMK-PBHICJAKSA-N 275.367 3.867 0 40 CHAB O=C(Nc1ccncc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103110985 POAUKJIGDBYNTN-CPWXYTRJSA-N 290.794 3.598 0 40 CHAB COc1ccc(C(=O)CCc2ccc(C)cc2)cc1OC 139772044 RRLJAPZSZOSEQI-UHFFFAOYSA-N 284.355 3.828 0 40 CHAB Fc1c(Br)cc2c(c1Cl)NCCC2 141842344 UNTWYFRFJCKKJF-UHFFFAOYSA-N 264.525 3.600 0 40 CHAB CCCC(CCC)C(=O)c1ccccc1C(=O)OC 575362472 OSPBXHTWDNHVGP-UHFFFAOYSA-N 262.349 3.872 0 40 CHAB Cc1c(C(F)F)[nH]c2ccc(C(F)(F)F)cc2c1=O 685937996 GEWOFMPXFKMSHU-UHFFFAOYSA-N 277.192 3.793 0 40 CHAB c1ccc(CO[C@H]2C[C@@H]3CN(C4CCCC4)C[C@@H]3C2)cc1 2037849740 BSEQCGWMFXUHNK-DZFIZOCASA-N 285.431 3.856 0 40 CHAB CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 101133 BLLPEYKAEHCGPB-UHFFFAOYSA-N 289.419 3.621 0 40 CHAB Cc1ccoc1C(=O)N1CCC[C@H]1c1ccccc1 42010529 RIWFYSABBRQJEH-AWEZNQCLSA-N 255.317 3.565 0 40 CHAB CC[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 12456740 RMAZEAOQTRKRHU-JTQLQIEISA-N 287.384 3.836 0 40 CHAB CCN(CC)c1ccc(C[C@@H]2Cc3ccccc3[C@@H]2O)cc1 1621074 LQZWCVZVPZHHTD-YLJYHZDGSA-N 295.426 3.981 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc2cnccc12 43168384 DLABHSXYEFDIIR-CHWSQXEVSA-N 298.390 3.534 0 40 CHAB CCCN(Cc1cccnc1)C(=O)[C@@H]1C[C@H]1c1ccccc1 55196496 JPJWVEWNGMQYEU-ZWKOTPCHSA-N 294.398 3.624 0 40 CHAB CC1=C(c2ccccc2)C(=O)N[C@@H](c2ccccc2)C1 1277575 OYAPTRCPKHYDSF-MRXNPFEDSA-N 263.340 3.721 0 40 CHAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108981708 OOZVONGUDRKJRO-OBJOEFQTSA-N 297.320 3.758 0 40 CHAB O=[S@](Cc1ccccc1)Cc1c(F)cccc1Cl 58184118 DHDBZOOWOOVWMK-SFHVURJKSA-N 282.767 3.928 0 40 CHAB CCCCCNC(=O)c1[nH]c2ccccc2c1Cl 44819571 XICVXFHTHNXMLL-UHFFFAOYSA-N 264.756 3.741 0 40 CHAB Cc1ccccc1-n1ccnc1S[C@H]1CCCCC1=O 48309629 HFTUAMGKHLHHDA-HNNXBMFYSA-N 286.400 3.785 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccc2oc(C3CC3)nc2c1 58439557 VCLPIAKULPYYLI-SOFGYWHQSA-N 294.310 3.950 0 40 CHAB NCCSc1c(-c2ccccc2)[nH]c2ccccc12 2455187 HMFRHODWXBWUNH-UHFFFAOYSA-N 268.385 3.886 0 40 CHAB CC(=O)c1ccccc1NC(=O)CSc1ccccc1C 36726830 LQYUDTYKOVMKPQ-UHFFFAOYSA-N 299.395 3.928 0 40 CHAB Cc1cc(Cl)ccc1OCCCc1c(C)n[nH]c1C 2502341 RAVBCMUSUXXBOO-UHFFFAOYSA-N 278.783 4.000 0 40 CHAB Cc1cc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)no1 12027542 OSHGSHFDIKCPRY-CYBMUJFWSA-N 286.375 3.924 0 40 CHAB C[C@H](Sc1ncn[nH]1)c1cccc2ccccc12 48987416 QSFFAXNYZKCBRA-JTQLQIEISA-N 255.346 3.811 0 40 CHAB CCc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)o1 5032661 AMYKVCXDSQTGOE-MDZDMXLPSA-N 259.280 3.633 0 40 CHAB CC[C@@H](C)c1ccccc1NC(=S)NC(C)C 13793749 UTIGUJCCGALWEI-LLVKDONJSA-N 250.411 3.895 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)c2ccccc2C)cc1 14170219 XFUADAJMGWBZAF-OAHLLOKOSA-N 267.372 3.723 0 40 CHAB COc1cccc(OC)c1Oc1ncnc2sccc12 5938030 PTISWCGFOZDHIW-UHFFFAOYSA-N 288.328 3.501 0 40 CHAB O=C(Nc1ccccc1Cl)c1cc(F)cc(F)c1 7639770 FDIVCRQXEJAFDW-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB O=C(/C=C/c1cccs1)Nc1ccc2c(c1)CCC2 7778644 NOLZCWOPVVNCRL-CMDGGOBGSA-N 269.369 3.889 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1)c1ccc(F)cc1F 8101661 WCJQWCXHHXQDCT-GFCCVEGCSA-N 289.325 3.775 0 40 CHAB COc1ccccc1CNCc1ccc([C@H]2C[C@H]2C)o1 19903148 OCXJFPCMNYLICT-DOMZBBRYSA-N 271.360 3.701 0 40 CHAB Cc1cc(COc2ccc(C(=O)c3ccccc3)cc2)on1 8541099 ZKHCBWDIYDBFLO-UHFFFAOYSA-N 293.322 3.793 0 40 CHAB C[C@H](N)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 20594507 DDJQFAXXZPWWOV-DOPJRALCSA-N 267.372 3.716 0 40 CHAB COc1ccc2cc(CNC(=O)CC(C)C)ccc2c1 9872432 ALLLDWXIWDMSMV-UHFFFAOYSA-N 271.360 3.511 0 40 CHAB CCC(C)(C)NC(=O)c1sc(C(C)(C)C)nc1C 61111102 YXCYLCDJYIOYBV-UHFFFAOYSA-N 268.426 3.667 0 40 CHAB O[C@H](c1ccccc1)c1cc(OCc2ccccc2)ns1 36469840 XAFKAQMHNZXAGB-QGZVFWFLSA-N 297.379 3.804 0 40 CHAB OCc1ccc2nc(-c3ccccc3F)sc2c1 73740280 HWFRWVJNWCGQTQ-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB Cc1cc(SC(C)(C)C)cnc1N1CCCC1 72222448 OFHVAJAKKIULNQ-UHFFFAOYSA-N 250.411 3.881 0 40 CHAB Cc1ccc2ccccc2c1C(=O)c1ccc(N)cc1 71445845 RMHTXTOCXAGTHZ-UHFFFAOYSA-N 261.324 3.961 0 40 CHAB Cc1cccc(C(=O)NCc2cccc(COC(C)C)c2)c1 48339972 JYKNCHSZNFFTJH-UHFFFAOYSA-N 297.398 3.850 0 40 CHAB CCC(=O)c1ccc(N2CCc3ccccc3C2)nc1C 72224929 SJVLJXLQXFWFAB-UHFFFAOYSA-N 280.371 3.545 0 40 CHAB COc1ccc(NC(=S)Nc2ccc(C)cc2F)cc1 47367820 IXYDMYZSCYHVEU-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C)c1 225623779 FDIHFNMUQPLPJW-QGZVFWFLSA-N 293.407 3.928 0 40 CHAB Cc1ccnc(Nc2cccc(Br)c2)c1 199713200 SOYWNAKSJKACAS-UHFFFAOYSA-N 263.138 3.896 0 40 CHAB CCc1ccc(CC)c(CNC(=O)Cc2ccc(C)cc2)c1 224936213 UNJLRTSZIRUJKK-UHFFFAOYSA-N 295.426 3.979 0 40 CHAB COc1c(Br)ccc(Cl)c1Cl 90515544 PNLDDSLZYVNPQW-UHFFFAOYSA-N 255.926 3.765 0 40 CHAB CCOC(=O)c1csc(-c2ccc(C)c(C)c2)n1 90470928 AVTULVIPOUUFCN-UHFFFAOYSA-N 261.346 3.604 0 40 CHAB CCCC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257266670 MDZLUDYVSYUIQQ-MAPUTHEBSA-N 293.451 3.523 0 40 CHAB CC[C@@H](C(=O)OC)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260619429 LPLFPNHBHVLNBI-RISCZKNCSA-N 293.382 3.870 0 40 CHAB COc1ccccc1C(=O)c1cc(F)cc(Cl)c1 95916222 RZEUWTLQQLFPHE-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB Cc1ccc(CN(C)C(=O)[C@H]2Cc3ccccc3S2)cc1 37133377 PVHRVUAIKPRKJQ-QGZVFWFLSA-N 297.423 3.670 0 40 CHAB Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 11919869 SSBMCRUFMFKQMY-UHFFFAOYSA-N 286.718 3.921 0 40 CHAB Cc1cccc(C(=O)NCCSC2CCCCC2)c1 12854666 NJFNOKQAZONAIK-UHFFFAOYSA-N 277.433 3.791 0 40 CHAB O=C(NC1CCCCCC1)c1ccc(Cl)cc1F 14229332 HVPJHXFGJZQMEY-UHFFFAOYSA-N 269.747 3.932 0 40 CHAB CCCCCCNC(=O)N1c2ccccc2C[C@H]1C 16637977 FNSYRKLIUFVWTL-CYBMUJFWSA-N 260.381 3.728 0 40 CHAB FC(F)(F)Oc1ccc(-c2noc(C3CCC3)n2)cc1 165913 UFLGNFPHBAWESD-UHFFFAOYSA-N 284.237 3.903 0 40 CHAB Cc1ccc2c(CC(=O)Oc3ccccc3)coc2c1 16527198 NCVDRUICCBIDPU-UHFFFAOYSA-N 266.296 3.889 0 40 CHAB Cc1cc(C)c(NC(=O)CCc2c(C)noc2C)c(C)c1 5938037 BYTXEAVZXYVWSH-UHFFFAOYSA-N 286.375 3.788 0 40 CHAB CNc1nc(-c2ccccc2Br)cs1 6558460 AVUPUZGBRCZJMO-UHFFFAOYSA-N 269.167 3.614 0 40 CHAB COc1ccc(-c2cn3cc(Cl)ccc3n2)cc1F 1310287 CMBBJDGOMMFROU-UHFFFAOYSA-N 276.698 3.802 0 40 CHAB CCCCOc1ccc(CNCCC)cc1OCC 34652095 PXCIEOJAMXEONH-UHFFFAOYSA-N 265.397 3.764 0 40 CHAB CC1(C)[C@@H](C(=O)Nc2cccnc2)[C@@H]1C=C(Cl)Cl 36330 HXLWYXFNMBZDTM-GXSJLCMTSA-N 285.174 3.611 0 40 CHAB Cc1ccc(C2=N/C(=C\c3ccccc3Cl)C(=O)N2)cc1 1441487 FOPZFIDOQURHMA-GDNBJRDFSA-N 296.757 3.566 0 40 CHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]21 4412439 DBPIPTPJHVEPCI-OAUYIBNBSA-N 291.350 3.541 0 40 CHAB CC(C)C[C@@H](C)N(C)C(=O)CCc1c[nH]c2ccccc12 30427526 FKCWQWKANODGJF-CQSZACIVSA-N 286.419 3.994 0 40 CHAB O=C(N[C@@H](c1ccccc1)C1CC1)C1CCCCC1 31037825 IBQIYWCQBUINAV-INIZCTEOSA-N 257.377 3.834 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)c1ccsc1 40462597 ASDCUILCSFCJMD-UHFFFAOYSA-N 271.794 3.735 0 40 CHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccoc1 32342064 VSYDBBGNBWBFLJ-JTQLQIEISA-N 286.356 3.723 0 40 CHAB C[C@H](NC(=O)n1ccnc1)c1ccc(Cl)cc1Cl 32628646 HCBOUTZXSXZOAS-QMMMGPOBSA-N 284.146 3.509 0 40 CHAB Cc1oc2ccc(O)cc2c1C(=O)c1ccccc1 360137 OZGSSOYTMUFXCA-UHFFFAOYSA-N 252.269 3.678 0 40 CHAB COc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 311533 IFYKUTFOHWUGJU-UHFFFAOYSA-N 295.260 3.966 0 40 CHAB Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(O)CCCC1=N2 102731251 ZNPTUWNPMMNZFD-HNNXBMFYSA-N 296.326 3.903 0 40 CHAB Fc1ccc([C@@H]2C=C(c3ccccc3)NC(S)=N2)cc1 449549 PNDQFIRJQKWOHK-HNNXBMFYSA-N 284.359 3.797 0 40 CHAB COc1ccc(SC(=O)c2ccnc(Cl)c2)cc1 166809 ZWTRCNXOLYDMAT-UHFFFAOYSA-N 279.748 3.676 0 40 CHAB Cc1cccnc1NC(=O)C1(c2ccccc2)CCCC1 242152 SVOSNKJCWLCGAS-UHFFFAOYSA-N 280.371 3.841 0 40 CHAB Cc1cccc(-c2cc3nc(C)c(Cl)c(C)n3n2)c1 303793 DDUJCIGMIRBFGX-UHFFFAOYSA-N 271.751 3.975 0 40 CHAB CC(C)C1N(c2ccccc2)CCN1c1ccccc1 353577 MTCFTCRDYUJHFL-UHFFFAOYSA-N 266.388 3.995 0 40 CHAB CC(=O)OC[C@@]12CC[C@@](CCC=C(C)C)(C[C@@H]1C)OC2 485593 AXJOCLMFQAZKPU-UAGQMJEPSA-N 280.408 3.871 0 40 CHAB biogenic Cc1ccccc1NC(=S)Nc1ccccc1O 1680388 PTOYLPGXCOHEMV-UHFFFAOYSA-N 258.346 3.510 0 40 CHAB C[C@]12CC[C@H](C1)[C@](O)(c1ccccc1)[C@]2(O)c1ccccc1 1870575 MFXCNFWQMUZNLU-WCIQWLHISA-N 294.394 3.582 0 40 CHAB Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 2648932 PDOPQZQFGGNASZ-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1cccc(O)c1)N2 4458716 VPJFTEQCWLPCDE-GOSISDBHSA-N 291.354 3.845 0 40 CHAB COc1ccc(COC(=O)Oc2ccc(C)cc2)cc1 5064186 GMQKHXAYFXOIOT-UHFFFAOYSA-N 272.300 3.719 0 40 CHAB CCOc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OC 5980239 JLTPHFSXQVHLOL-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB Cc1nc(Nc2ccccc2)sc1C(=O)c1ccccn1 6677870 PDECADMNZKXXOO-UHFFFAOYSA-N 295.367 3.821 0 40 CHAB CCc1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1 7134147 IQNXUUUQVNGDNW-UHFFFAOYSA-N 273.307 3.649 0 40 CHAB Cc1ccc(-c2cc(NC(=O)[C@@H]3CC=CCC3)on2)cc1 8345720 OEACIBMPWUETEW-CQSZACIVSA-N 282.343 3.945 0 40 CHAB CC[C@@H](C)n1c(S)nnc1COc1ccccc1Cl 11692607 QZBYOJGNPOXJMO-SECBINFHSA-N 297.811 3.770 0 40 CHAB O[C@@]12CCCC[C@H]1[C@@]1(O)CCCC[C@@H]1C1(CCCCC1)O2 12436944 GATCEJCAKDSFNO-CYGHRXIMSA-N 294.435 3.520 0 40 CHAB CC(C)Oc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 12475748 BLEQAQIOLMTSSW-UHFFFAOYSA-N 295.342 3.602 0 40 CHAB O=C(c1ccccc1OCc1ccccc1)N1CCCCC1 13686924 STKAQRCUCOGINY-UHFFFAOYSA-N 295.382 3.892 0 40 CHAB CC(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 14283380 RNINOHTZGUJUPZ-UHFFFAOYSA-N 292.766 3.771 0 40 CHAB Cc1cc(Nc2ccccc2C(=O)O)c2ccccc2n1 20345228 JBFQYOFMSDMFRW-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB CN(CCCNc1nc2ccccc2o1)c1ccccc1 29333686 WIFDMQKXMBRMPV-UHFFFAOYSA-N 281.359 3.766 0 40 CHAB C[C@H](C1CC1)N(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 32786928 OASIGLGLEJTMPH-SECBINFHSA-N 276.767 3.692 0 40 CHAB C[C@H](c1cccs1)N(C)C(=O)c1cnc2ccccc2n1 33235920 QSVLYEOHESJTMO-LLVKDONJSA-N 297.383 3.525 0 40 CHAB Cc1cc(C)cc(CNc2cccc3[nH]ncc23)c1 43393659 IFRYZXIVQROEKF-UHFFFAOYSA-N 251.333 3.792 0 40 CHAB Cc1cc(CN(C)[C@@H](C)c2cc3ccccc3o2)no1 44089852 NAJYFHVZNGWNDG-LBPRGKRZSA-N 270.332 3.922 0 40 CHAB Cc1cccc(C(=O)c2cccc(C(F)(F)F)c2)n1 45028467 BYQUXXXOMPAABD-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)nc1 48696944 ZBMWYRQZONOBFE-MNOVXSKESA-N 286.297 3.697 0 40 CHAB Cc1cc(Cl)nc(COc2c(C)cccc2C)n1 58043458 UVYOWIMIPJMQAX-UHFFFAOYSA-N 262.740 3.634 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(F)cc1 60879032 ZHZIVHZMRABAKR-OAHLLOKOSA-N 299.389 3.896 0 40 CHAB C[C@@H](c1ccncc1)N(C)Cc1ccc(F)cc1F 67716153 XTLCLGNQSDHOKD-NSHDSACASA-N 262.303 3.553 0 40 CHAB CCN(CC)C(=O)NCc1cccc(COC(C)(C)C)c1 69812176 WGHGQJFBLDRWKS-UHFFFAOYSA-N 292.423 3.553 0 40 CHAB CSc1cccc([C@H](N)c2cc(F)ccc2F)c1 71790393 AVGQIDXHXCYGQX-AWEZNQCLSA-N 265.328 3.735 0 40 CHAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCN1C 72214244 VXEMHZBBJRHJPE-INIZCTEOSA-N 267.376 3.616 0 40 CHAB CCCN1CCCC[C@H]1c1cnc(N2CCCC2)cc1C 72218879 HOSRDVYCYHVWGG-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB CCN1CCC[C@H]1c1ccc(N2CCCCC2)nc1C 72219272 BHIYMWBYGQCWBN-INIZCTEOSA-N 273.424 3.537 0 40 CHAB CC[C@H](N)c1ccc(SC2CCCCC2)nc1 72225727 ZLHOQDYKWPOVAX-ZDUSSCGKSA-N 250.411 3.916 0 40 CHAB CC(C)Oc1cc(C(=O)NC2CC2)cc2sccc12 72241219 YKFYXNQWUHLBTL-UHFFFAOYSA-N 275.373 3.581 0 40 CHAB Cc1cc(C)cc(CNc2cnn(C(F)F)c2)c1 95455336 BDBLDVJQHZDVIL-UHFFFAOYSA-N 251.280 3.507 0 40 CHAB OP(OCc1ccccc1)OCc1ccccc1 100010548 DYUGVWSETOTNKQ-UHFFFAOYSA-N 262.245 3.639 0 40 CHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCCc2c(F)cc(F)cc21 106062603 DJAPGVHSZKUCQR-COPLHBTASA-N 291.341 3.680 0 40 CHAB CCOC(=O)c1nc(Nc2ccc(F)cc2)sc1C 161594891 KAFLXUNSUZNYRL-UHFFFAOYSA-N 280.324 3.511 0 40 CHAB C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(Cl)s2)[nH]n1 194586411 NULWPTOXIOSGBM-RQJHMYQMSA-N 281.768 3.500 0 40 CHAB Cc1ccccc1-c1nnc(-c2cnc(C3CC3)nc2C)o1 216602042 MHRHKICUNGRBAP-UHFFFAOYSA-N 292.342 3.688 0 40 CHAB CCN(CCCC(=O)O)c1ccc(Cl)c(Cl)c1 224995019 PGDSPHQAPWOXPD-UHFFFAOYSA-N 276.163 3.685 0 40 CHAB CCc1ccccc1C[C@H](Oc1ccccc1C)C(=O)O 225039296 ZNALXFUXRBUSNH-KRWDZBQOSA-N 284.355 3.632 0 40 CHAB CCCCc1ccc(C[C@@H](OCC(C)C)C(=O)O)cc1 225130092 IMVBITYYHUCDJC-MRXNPFEDSA-N 278.392 3.698 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 253617214 CBMYJHIOYJEBSB-RYNUQQTHSA-N 292.463 3.751 0 40 CHAB C[C@H](C(=O)N1CC[C@@H](c2ccccc2F)C1)c1ccccc1 502161927 ZFNKLXVYKBUKDJ-GOEBONIOSA-N 297.373 3.945 0 40 CHAB Cc1ccc(C)c(-n2ncc(NCc3coc(C)n3)c2C)c1 519648869 LLEXTEQSCORURV-UHFFFAOYSA-N 296.374 3.706 0 40 CHAB O=C(NCc1ccc(-c2cccs2)o1)NC1CCCC1 575604788 FHLODCLOOHAJRK-UHFFFAOYSA-N 290.388 3.750 0 40 CHAB CCOC(COc1c(Cl)cccc1Cl)OCC 163029 RCGUDGMNTDETBY-UHFFFAOYSA-N 279.163 3.771 0 40 CHAB CC(C)(C)c1cc(OC(=O)Cc2ccccc2)ccc1O 363940 HZTVHRPQCSXXGM-UHFFFAOYSA-N 284.355 3.838 0 40 CHAB Cc1cccc2[nH]c3c(N4CCC[C@@H](C)C4)ncnc3c12 534745 BJOIXVYXCGJAJL-LLVKDONJSA-N 280.375 3.656 0 40 CHAB O=C(O)C[C@H](c1ccccc1)[C@H](CC(=O)O)c1ccccc1 1597035 CDAXWFKYGWELRY-HZPDHXFCSA-N 298.338 3.503 0 40 CHAB CCCCCCOC(=O)C[C@@H]1C[C@@H](C(C)=O)C1(C)C 1718998 OIAFJHAHYHANJZ-KBPBESRZSA-N 268.397 3.751 0 40 CHAB CCOC(=O)CCCCCC(=O)c1cccc(C)c1 2378881 XDSSXIYWLOQJJH-UHFFFAOYSA-N 262.349 3.691 0 40 CHAB C[C@]12CCO[C@@H]1N(Cc1ccccc1)c1ccccc12 3999284 NCMVPGABXJTSGZ-ZWKOTPCHSA-N 265.356 3.711 0 40 CHAB biogenic O=C(NCCc1ccccc1)c1cc2ccccc2cc1O 6579505 GQKGRRUIPGTYCC-UHFFFAOYSA-N 291.350 3.518 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1cc2c(s1)CCC2 6747057 XMDCKSRONUUBOG-CQSZACIVSA-N 283.396 3.654 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)NC1CCCC1 7995886 WKUCHBGDOUVQPM-UHFFFAOYSA-N 286.400 3.791 0 40 CHAB Cc1ccc(C)n1CC(=O)Nc1ccccc1C(F)(F)F 9094826 ZLYNUEHEDPDNPL-UHFFFAOYSA-N 296.292 3.762 0 40 CHAB CSCC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 9502598 RLTYGPDPPWOVTP-KRWDZBQOSA-N 285.412 3.564 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1cc(Cl)ccc1F 9514769 YYAKKFIBYWGGRG-UHFFFAOYSA-N 296.729 3.655 0 40 CHAB Cc1nc(-c2ccccc2Br)cs1 12370833 SXJQVZDDCODIST-UHFFFAOYSA-N 254.152 3.881 0 40 CHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(F)c1 12738991 ZWNPCYWJZZKIKW-UHFFFAOYSA-N 293.301 3.535 0 40 CHAB Cc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1 13534839 WMZFCQHFYXBSCF-UHFFFAOYSA-N 263.344 3.738 0 40 CHAB Cc1ccccc1CSCC(=O)N(C)c1ccccc1 13672382 DHKUHQRHDKLYOO-UHFFFAOYSA-N 285.412 3.891 0 40 CHAB Nc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 14629907 PSKOPLXARJLMOP-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB C[C@]12CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 15952111 ZRIOQYDHRPOBLF-XAWSPDEZSA-N 276.420 3.569 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc(S)cc2)cc1 16293104 PXVHEWKCKOJESS-UHFFFAOYSA-N 258.346 3.928 0 40 CHAB Cc1ccc(CNC(=S)N2CCCc3ccccc32)cc1 17024134 PYSJQZBGMQJVOW-UHFFFAOYSA-N 296.439 3.822 0 40 CHAB Cc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)s1 19413125 KQTAGULGTOGVQE-UHFFFAOYSA-N 289.385 3.501 0 40 CHAB in-vitro COc1ccc(C)cc1NC(=O)c1cc2ccsc2[nH]1 29569932 APVSLNNPCSJKIA-UHFFFAOYSA-N 286.356 3.799 0 40 CHAB Cc1ccc([C@@H](NC(=O)NCC2CC2)c2ccccc2)cc1 32795375 YWSRMNFLSIKFJP-SFHVURJKSA-N 294.398 3.794 0 40 CHAB Cc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)n1 32818734 QMCLLXQAKZUYIW-UHFFFAOYSA-N 293.326 3.661 0 40 CHAB Cc1ccc(/C=C(/C(N)=O)c2nc3ccccc3s2)cc1 33368973 QQNOFSCXWLCQFM-RAXLEYEMSA-N 294.379 3.631 0 40 CHAB C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccncc1 35122252 AWEIPBVQJIKKMZ-SECBINFHSA-N 267.254 3.669 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 36398677 RTEIQSVFHYOUJW-QCZZGDTMSA-N 297.320 3.724 0 40 CHAB CCN(CC)[C@@H](C)CNC(=O)Nc1cccc(Cl)c1C 43174261 GEANVDFZRAXYIX-NSHDSACASA-N 297.830 3.500 0 40 CHAB CC1(C)C=CN(c2ccc3ccccc3c2)C(=S)N1 56693968 WXBQPQDFAOLLEN-UHFFFAOYSA-N 268.385 3.827 0 40 CHAB O=C(CCc1ccc(F)cc1)NCCCc1ccccc1 60879295 AEAVITGRJGZYNP-UHFFFAOYSA-N 285.362 3.507 0 40 CHAB CCc1ccc(CNCCCc2nc3ccccc3[nH]2)cc1 62718651 VTDCBGNNAZOLSR-UHFFFAOYSA-N 293.414 3.848 0 40 CHAB O=C1COc2ccc(Cl)cc2CN1C1CCCCCC1 67323775 CBIQUOALHPTOGI-UHFFFAOYSA-N 293.794 3.784 0 40 CHAB O=Cc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1 71788737 SMVFLFVQDXKQHR-UHFFFAOYSA-N 288.346 3.783 0 40 CHAB O=C(c1cccn1Cc1cccs1)N1CCCCCC1 71819375 FJDVDFVBJCCPHL-UHFFFAOYSA-N 288.416 3.614 0 40 CHAB CCCC[C@H](CC)CC(=O)Nc1c(C)n[nH]c1C 71910145 VNKRWTKURUFIJA-LBPRGKRZSA-N 251.374 3.572 0 40 CHAB O=CN1CCCC[C@H]1c1cccnc1NC1CCCCC1 72214050 IZZSPQXIUFMQTN-INIZCTEOSA-N 287.407 3.510 0 40 CHAB CC(C)CN1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216045 NEDNRMHCNBMXJV-QGZVFWFLSA-N 287.451 3.865 0 40 CHAB Cc1cc([C@@H]2CCCCN2Cc2ccccc2)cnc1N 72218466 RJGYWBIHTYKHIT-KRWDZBQOSA-N 281.403 3.699 0 40 CHAB CCn1cc(NC(=O)C(CC)(CC)c2ccccc2)cn1 72304350 OLZFZTCHEZZPCU-UHFFFAOYSA-N 285.391 3.600 0 40 CHAB c1coc(-c2nc3cnccn3c2NC2CCCCC2)c1 72341869 HVTBYWBBPFAFLE-UHFFFAOYSA-N 282.347 3.734 0 40 CHAB Cc1ccc(NC(=O)NC(C)(C)c2ncc(C)s2)s1 75106284 OMFYBNSDKANOJC-UHFFFAOYSA-N 295.433 3.878 0 40 CHAB Clc1cncc(N2CCC3(CCCCCC3)C2)n1 75106420 JKLDFMOLHYEBMX-UHFFFAOYSA-N 265.788 3.681 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC(c2cccs2)CC1 75157187 JCRFQKBRLYMQNA-CQSZACIVSA-N 275.417 3.810 0 40 CHAB COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C1CCC1 78652173 WHVNNGNAPHATPW-UHFFFAOYSA-N 295.404 3.571 0 40 CHAB CC(C)N1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1 79030408 AEMKHASABZGBQV-UHFFFAOYSA-N 288.218 3.685 0 40 CHAB O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)ns1 82164640 QTLIDVLLXZMPJE-UHFFFAOYSA-N 274.128 3.815 0 40 CHAB in-vitro CC(C)[C@H](C)CC(=O)N(C)[C@@H](C)c1cccc(O)c1 84409795 IIYWBTYKMAHLRR-OLZOCXBDSA-N 263.381 3.594 0 40 CHAB CC(C)[C@H](C)CC(=O)N(C)[C@H](C)c1cccc(O)c1 84409800 IIYWBTYKMAHLRR-CHWSQXEVSA-N 263.381 3.594 0 40 CHAB Brc1ccc(CNC2CC2)c2ccccc12 85395153 GGYZOQVSGRJWLQ-UHFFFAOYSA-N 276.177 3.854 0 40 CHAB COc1cccc(C2=NO[C@H](c3ccccc3)C2)c1 95116805 OOHKXYKNXLGXTM-INIZCTEOSA-N 253.301 3.561 0 40 CHAB OC1=N[C@H](c2cc3ccccc3s2)N2CCCC[C@H]12 95412094 MJEQZMDYVWFTAV-RISCZKNCSA-N 272.373 3.725 0 40 CHAB Cc1cnc(CNc2cc(-c3ccco3)ccc2F)o1 95418385 KFNGRWFTUHXRPH-UHFFFAOYSA-N 272.279 3.994 0 40 CHAB Cc1ccc(CCC(=O)NCCc2ccc(F)cc2)cc1C 96621677 GISZVCAVNZOEMT-UHFFFAOYSA-N 299.389 3.734 0 40 CHAB CC(C)(CO)CNC(=O)N(c1ccccc1)c1ccccc1 97082836 RZRDVKOHSQNBOY-UHFFFAOYSA-N 298.386 3.553 0 40 CHAB O=C(c1c(Cl)cccc1Cl)N1CCc2cnccc21 97084687 QKRVBQFNGOUXRD-UHFFFAOYSA-N 293.153 3.591 0 40 CHAB O=C(OC1(Cc2ccccc2)CC1)c1ccccc1F 97095956 CDISKPOQRUZAGG-UHFFFAOYSA-N 270.303 3.758 0 40 CHAB CCc1nc([C@@H](C)NCc2ncc(C(C)(C)C)o2)cs1 97112258 OHDLQAAMBGTWJP-SNVBAGLBSA-N 293.436 3.842 0 40 CHAB S=C1C=C(c2ccccc2)Nc2ccccc2N1 102905111 SZLFYAJFKKOADW-UHFFFAOYSA-N 252.342 3.893 0 40 CHAB CC[C@@H](C(=O)O)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223198230 WGWYALTUJZERBD-FZMZJTMJSA-N 291.391 3.651 0 40 CHAB Cc1nc(NC(=S)NC2CCCCC2)ccc1Cl 224036991 CQNBYLPFNJDKDF-UHFFFAOYSA-N 283.828 3.663 0 40 CHAB Cc1c(N)cccc1-c1ccc(C(=O)N2CCC[C@@H](C)C2)o1 226304972 MRJSQGBQPDQDPS-GFCCVEGCSA-N 298.386 3.709 0 40 CHAB Cc1cc(NC(=O)C2CCCCC2)cc2sc(N)nc12 226312581 JPBHABZGFNCAEQ-UHFFFAOYSA-N 289.404 3.706 0 40 CHAB CC[C@@H](C)C(=O)c1c(F)cc(Br)cc1F 229249379 UPPLJXVXBDDTMN-ZCFIWIBFSA-N 277.108 3.956 0 40 CHAB COc1ccc(C(=O)COCc2ccccc2)c(Cl)c1 310012298 LDJOZCKRXCGFSW-UHFFFAOYSA-N 290.746 3.748 0 40 CHAB O=C(c1ccccc1F)N1CC2(CC(c3ccccc3)C2)C1 1775969493 AGHJLKNBXGZYRI-UHFFFAOYSA-N 295.357 3.846 0 40 CHAB FC(F)(F)C1CCN(c2cc(C3CCC3)ncn2)CC1 1888834181 CANMQWGARUBCPE-UHFFFAOYSA-N 285.313 3.523 0 40 CHAB FC(F)Oc1ccc(-c2ccncc2)c(C(F)(F)F)n1 47218523 AWYUWQQJSBSZNJ-UHFFFAOYSA-N 290.191 3.764 0 40 CHAB C[C@@](O)(c1ccccc1)[C@@H](c1ccccc1)[C@@H]1CCCCN1 4783478 KDFJCXJFHLCCRU-SLFFLAALSA-N 295.426 3.820 0 40 CHAB O=C(Cc1ccccc1)O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 4945998 XXQJYZFLCGZQNN-UUAJXVIYSA-N 270.372 3.597 0 40 CHAB CC[C@H](C)C(=O)N[C@H](C)c1cc2cccc(OC)c2o1 25197134 GJSQIWVHBATQJN-WDEREUQCSA-N 275.348 3.665 0 40 CHAB CCN[C@@H](c1ccc(Br)cc1)c1cccnc1 35539013 UIADRZHSZNPTFA-AWEZNQCLSA-N 291.192 3.543 0 40 CHAB in-vitro CCC[C@H](C)NC(=O)c1ccccc1C(F)(F)F 28210682 SUVGEWIHVLGSBW-VIFPVBQESA-N 259.271 3.624 0 40 CHAB Cc1[nH]c2ccccc2c1CC(=O)N1C[C@H](C)C[C@@H](C)C1 45264954 QWQVRJSHHSZVRN-CHWSQXEVSA-N 284.403 3.523 0 40 CHAB O=C(NCCOc1ccc2ccccc2c1)C1CCCCC1 10994963 CITPAKJHMYUFNZ-UHFFFAOYSA-N 297.398 3.915 0 40 CHAB Cc1ccccc1NC(=O)[C@]12C[C@@H]3CC[C@]1(C)[C@]3(C)CO2 100700706 VEXFIHOUSZHFJY-OKDNKWQNSA-N 285.387 3.529 0 40 CHAB CC(C)(C)[C@@H](NCc1noc(C2CC2)n1)c1cccs1 64938935 USLNADOISYNWKB-ZDUSSCGKSA-N 291.420 3.886 0 40 CHAB Cc1ccccc1CNc1ncnc2sccc12 9313523 SSPQVBDSGZLBCD-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB CC(C)(C)NC1=NN=C(c2cc3ccccc3o2)CS1 6537977 IIQIUUMIPHKIBY-UHFFFAOYSA-N 287.388 3.628 0 40 CHAB C[C@@H](CNC[C@@H]1CCCO1)COc1cccc2ccccc12 4811909 VOHCIXMVPQJCBT-RDJZCZTQSA-N 299.414 3.623 0 40 CHAB CCOc1ccccc1NC(=O)COc1cc(C)cc(C)c1 4817012 DKYYJKIOYUYALC-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB CCOc1ccc(C(=O)c2oc3ccccc3c2N)cc1 6816816 ODVBNNBZVVVPHI-UHFFFAOYSA-N 281.311 3.645 0 40 CHAB Clc1nc(-c2ccccc2)nn1-c1ccccc1 22125163 NNQJGKDCHDTVHL-UHFFFAOYSA-N 255.708 3.588 0 40 CHAB S=c1cc(Nc2ccc(Br)cc2)nc[nH]1 16428682 UAXQYSBFXPKTFN-UHFFFAOYSA-N 282.166 3.645 0 40 CHAB Cc1cc(C[S@](=O)Cc2ccc(C(C)(C)C)cc2)no1 71859035 XDQLJKFIUOVWRG-FQEVSTJZSA-N 291.416 3.729 0 40 CHAB c1coc(CNc2nnc(SC3CCCC3)s2)c1 72066563 WGQCRSBIVOFNOI-UHFFFAOYSA-N 281.406 3.778 0 40 CHAB CC(C)NC(=S)N[C@H](c1cccs1)C(C)(C)C 84620678 NBGDMQBWYPAQPV-LLVKDONJSA-N 270.467 3.708 0 40 CHAB CC[C@H]1CC[C@@H](C)N1c1ccnc(-c2ccccc2)n1 95458748 YSHPGSMYWOZQSF-HIFRSBDPSA-N 267.376 3.911 0 40 CHAB O[C@@H](c1ccccc1)[C@H](Nc1ccccn1)c1ccccc1 31672794 CMOPYVABRRLFCM-MOPGFXCFSA-N 290.366 3.968 0 40 CHAB Cc1n[nH]cc1CNC(C)(c1ccccc1)c1ccccc1 78411741 YPFJOUNKKXQDJC-UHFFFAOYSA-N 291.398 3.771 0 40 CHAB CCCCC[C@@H](CN(C)C)[C@H](O)/C=C/c1ccccc1 33917861 DEETXEARXAKUHP-DPYIKZRWSA-N 275.436 3.819 0 40 CHAB CCC(=O)Nc1cc(N2[C@@H](C)CCC[C@@H]2C)c(C)cc1N 216865026 DNNMJZUXQMPDGO-STQMWFEESA-N 289.423 3.693 0 40 CHAB CCN(CC)C(=O)c1cccc(-c2nc3ccccc3o2)c1 41127529 SYZAWVSFWCDYAZ-UHFFFAOYSA-N 294.354 3.977 0 40 CHAB CN1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214093 KQFYUUSNMBEMMT-INIZCTEOSA-N 267.376 3.982 0 40 CHAB CCOC(=O)c1sc2ccccc2c1-n1cccc1 44676331 VTTOTEFFCXTVKB-UHFFFAOYSA-N 271.341 3.869 0 40 CHAB O=C(CCCn1cccc1)Nc1nc2ccccc2s1 49031012 XFYBDMNHVLABGI-UHFFFAOYSA-N 285.372 3.517 0 40 CHAB Cc1ccc(CC(=O)N2CCCc3ccccc32)c(C)c1 225232397 DOVVZIKIARGECT-UHFFFAOYSA-N 279.383 3.825 0 40 CHAB Cc1cc(N)c(N2CCCC[C@H]2C)c(Br)c1 45886226 DBMKPDMHNYWTPT-SNVBAGLBSA-N 283.213 3.719 0 40 CHAB Cc1nn(C(C)C)c(C)c1Nc1cnnc2ccccc12 41122919 RSDYFOHKJAMVDU-UHFFFAOYSA-N 281.363 3.768 0 40 CHAB Fc1ccc2c(c1)[C@H](SC1=NCCS1)CC2 89807181 FKTXOVMVQYPVOC-LLVKDONJSA-N 253.367 3.649 0 40 CHAB COc1ccc2cc([C@@H](C)S[C@@H](C)C(N)=O)ccc2c1 96435657 KFSHXPIFCJRFQQ-MNOVXSKESA-N 289.400 3.516 0 40 CHAB CC(=O)Nc1cc(NC2CCCC2)ccc1Cl 95977519 DAMICUICSTYOLS-UHFFFAOYSA-N 252.745 3.653 0 40 CHAB Brc1cccc(-n2ccc3cccnc32)c1 95915577 CUXGZJPIXSDMOB-UHFFFAOYSA-N 273.133 3.788 0 40 CHAB COc1c(Cl)ccc(Cl)c1C(=O)NC(C)(C)C 5379647 ARINVKMFTNZUKV-UHFFFAOYSA-N 276.163 3.530 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccccc1OCC 13821545 KOKHJBACCIXKOY-LLVKDONJSA-N 266.410 3.560 0 40 CHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 14401454 REBMAKGZQQVADE-ZDUSSCGKSA-N 291.366 3.600 0 40 CHAB COc1ccc(NCc2cccc3[nH]ccc23)c(OC)c1 15423555 CZUFLKGTZREEGN-UHFFFAOYSA-N 282.343 3.797 0 40 CHAB Oc1ccc(Cl)cc1NC(=S)NCc1ccccc1 169277992 CENISZFWZHUSRG-UHFFFAOYSA-N 292.791 3.532 0 40 CHAB Cc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 9207 UMPMAFOKUASNEU-UHFFFAOYSA-N 275.355 3.936 0 40 CHAB O=C(OCc1c(F)cccc1Cl)c1cccc(O)c1 3511124 OYLOKBCPESTCGF-UHFFFAOYSA-N 280.682 3.542 0 40 CHAB CC[C@H](C)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 6788124 CILWEQVQHBKYMA-IUCAKERBSA-N 289.206 3.709 0 40 CHAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F 12949171 QCCULBJXIBXPBO-ZJUUUORDSA-N 289.272 3.677 0 40 CHAB CC(C)(CNC(=O)c1ccccc1F)c1ccsc1 1565519132 DNVIMDQFLNCKBX-UHFFFAOYSA-N 277.364 3.595 0 40 CHAB O=C(Cc1ccc(Cl)s1)Nc1ccc(F)cc1F 10061048 QQEMKJQZPBIPJV-UHFFFAOYSA-N 287.718 3.861 0 40 CHAB COC(=O)CCCCC(=O)c1cccc2ccccc12 575358538 DAXFCBGEBWQVIP-UHFFFAOYSA-N 270.328 3.756 0 40 CHAB C[C@H](NC(=O)Nc1nccs1)c1ccc(Cl)cc1 40050605 WXMMQYZJTGEUSZ-QMMMGPOBSA-N 281.768 3.679 0 40 CHAB CCCCc1noc(CN2CCC[C@@H]2c2cccs2)n1 40049817 HSGCMSWOOYGXJK-GFCCVEGCSA-N 291.420 3.811 0 40 CHAB Cc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1 51315632 UYVITSBRCIFZMF-UHFFFAOYSA-N 283.356 3.699 0 40 CHAB Fc1ccc(NCc2ccc3c(c2)OCO3)cc1Cl 280328 YORMCPSVUNFBNL-UHFFFAOYSA-N 279.698 3.820 0 40 CHAB CC(C)c1nc(CC(=O)N[C@H](C)c2ccccc2)cs1 32477415 ODYDIMCLCDEYPN-GFCCVEGCSA-N 288.416 3.686 0 40 CHAB CNc1ccccc1C(=O)Nc1cccc(Cl)c1 480056 OMTSHXFIWCARJM-UHFFFAOYSA-N 260.724 3.634 0 40 CHAB CC(C)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 509808 BLZGHROAIFBHFF-UHFFFAOYSA-N 279.343 3.824 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(C)c1 580063 YJMXQIXVPDKAEW-INIZCTEOSA-N 269.344 3.791 0 40 CHAB COc1ccc(C2=[N+]([O-])C(C)(C)[C@H](c3ccccc3)C2)cc1 1569063 NZNKHJOMLMNGAW-KRWDZBQOSA-N 295.382 3.961 0 40 CHAB CCCCCc1nc2sc3c(c2c(=O)[nH]1)C[C@@H](C)CC3 2344372 SHUJIRCATPVWAA-JTQLQIEISA-N 290.432 3.842 0 40 CHAB Nc1cc(-c2ccc(Cc3ccccc3)cc2)no1 3715883 QBKFUOUYAPZAOP-UHFFFAOYSA-N 250.301 3.515 0 40 CHAB CC(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 6776896 FVPHPHQXEYGKAR-UHFFFAOYSA-N 266.300 3.762 0 40 CHAB CCOc1ccc2[nH]cc(/C=C\c3cc[n+](C)cc3)c2c1 8767927 NMCRMYYOXIIIIH-UHFFFAOYSA-O 279.363 3.562 0 40 CHAB CCC[C@@H](C(=O)NCc1cccc(OC)c1)c1ccccc1 25422240 HYKHMQLTFKVCIV-GOSISDBHSA-N 297.398 3.895 0 40 CHAB COCc1ccc(C(=O)OCc2cc3ccccc3o2)cc1 26876806 DNOUYBZDQXEOMC-UHFFFAOYSA-N 296.322 3.936 0 40 CHAB COc1ccccc1C(=O)CSC1CCCCC1 3264971 APHLMCWJVVVPKF-UHFFFAOYSA-N 264.390 3.944 0 40 CHAB Cc1noc(C)c1COc1ccc(F)c2c1C(=O)C[C@@H]2C 48250482 YYKNUFOVIAVIAT-QMMMGPOBSA-N 289.306 3.699 0 40 CHAB CCCC[C@@]1(CC)NC(=S)N(c2ccc(C)c(C)c2)N1 2336368 LBZQMIJLGUMNPB-INIZCTEOSA-N 291.464 3.799 0 40 CHAB CCCc1cc(C(=O)N[C@@H](C)c2ccccn2)sc1C 28780266 RXKXNMLAXYKPGQ-NSHDSACASA-N 288.416 3.895 0 40 CHAB SC1=N[C@H](c2ccccc2)C=C(c2ccccc2)N1 2481153 HFRXOUDZIXBXEH-AWEZNQCLSA-N 266.369 3.658 0 40 CHAB O=C(c1ccc(CN2CCCC2)cc1)C1CCCC1 2514594 NOUVGCIXNZPDQK-UHFFFAOYSA-N 257.377 3.655 0 40 CHAB CC1=CC(C)(C)Nc2cc3oc(=O)cc(C)c3cc21 100359448 FHFQWDOTTXRDCT-UHFFFAOYSA-N 255.317 3.709 0 40 CHAB CN(C(=O)/C=C/c1cscn1)C1CCCCCCC1 60303230 CCTJERAKMDIBNW-MDZDMXLPSA-N 278.421 3.728 0 40 CHAB CC[C@@H](c1ccccc1)c1nc(-c2cccc(O)c2)no1 20432824 RWLYPDKMCMRBLZ-HNNXBMFYSA-N 280.327 3.984 0 40 CHAB CC(C)(C)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 12909319 KYKLZHWGCFBVBI-QGZVFWFLSA-N 295.382 3.926 0 40 CHAB COc1ccc([C@H](N[C@H]2CCOC(C)(C)C2)C(C)C)cc1 9047385 LLBTWBHSCBMVQB-DOTOQJQBSA-N 291.435 3.940 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](C)OC(=O)c1cccc(F)c1 3904966 UBNHRPVZGCZIMM-HZSPNIEDSA-N 293.382 3.634 0 40 CHAB COc1ccccc1C(=O)NC[C@@H](c1ccccc1)C(C)C 13488537 XVFLGHVOMBWJAC-QGZVFWFLSA-N 297.398 3.865 0 40 CHAB in-vivo O=C(Nc1ccc(F)cc1)c1cc2cc(F)ccc2[nH]1 5268899 VEIYRZSMJPQAAJ-UHFFFAOYSA-N 272.254 3.698 0 40 CHAB CCOP(=O)(OCC)O[C@H](c1ccncc1)C(F)F 306145851 SJKFVDDOKMOWTO-SNVBAGLBSA-N 295.222 3.586 0 40 CHAB CCCCSCC(=O)NC12CC3CC(CC(C3)C1)C2 5412937 AKAXFIVFURYPEC-UHFFFAOYSA-N 281.465 3.605 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1ccc(Cl)cn1 4600375 YPIHJUGHBJHIDK-SNVBAGLBSA-N 254.761 3.890 0 40 CHAB Cc1cc([C@@H](C)NCC[S@](=O)C(C)(C)C)c(C)s1 95422602 KPJPXWRRBNRULJ-ADLMAVQZSA-N 287.494 3.563 0 40 CHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCCCC1 5671410 XLZBKUTZTMHYJM-AWEZNQCLSA-N 282.387 3.653 0 40 CHAB Cc1cnc(-c2cccc(NC(=O)CC(F)(F)F)c2)o1 66810555 RZAGFUDYTHYVNN-UHFFFAOYSA-N 284.237 3.541 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)C(C)(C)C 16989704 ZXAFCSMULBGESD-MRVPVSSYSA-N 257.736 3.644 0 40 CHAB CC(=O)Nc1ccc(OCc2ccccc2)cc1C 117150285 MUMMQKXDVJLBIO-UHFFFAOYSA-N 255.317 3.532 0 40 CHAB CCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 20160531 QYWVHTUPPSIHRQ-UHFFFAOYSA-N 294.306 3.637 0 40 CHAB CCOc1ccccc1/C=C1\SC(=O)N(C(C)C)C1=O 409073929 URTYZEDLAJLFOM-LCYFTJDESA-N 291.372 3.530 0 40 CHAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCN1C(C)C 72219219 HIDUAEMOURONMU-KRWDZBQOSA-N 287.451 3.926 0 40 CHAB C[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@H](c2ccco2)C1 76089326 LSTXZVHFWGNWJC-ILXRZTDVSA-N 273.376 3.936 0 40 CHAB C[C@@H](CNC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 32476000 OOSKHZSLBIUGHP-ZDUSSCGKSA-N 278.355 3.701 0 40 CHAB CCN1CCCC[C@@H]1c1cccnc1NCC(C)C 72213270 BVJKSJNEVTYBPE-OAHLLOKOSA-N 261.413 3.696 0 40 CHAB COc1ccc(-c2nc(Cl)cc(-c3cccnc3)n2)cc1 73695371 NYWRMFRAAUWHDF-UHFFFAOYSA-N 297.745 3.868 0 40 CHAB CC[C@@H](NC(=S)Nc1cccnc1)c1ccccc1 225482482 TXCVNGOQMCBNAG-CQSZACIVSA-N 271.389 3.519 0 40 CHAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC(C)C 44839055 NMMSKPWAYNROII-CYBMUJFWSA-N 285.840 3.983 0 40 CHAB C[S@](=O)Cc1cccc(N[C@H]2CCC[C@@H](C3CC3)C2)c1 195548574 JZUJXHILRZARIQ-SYNHAJSKSA-N 291.460 3.946 0 40 CHAB COc1cccc2occ(NC(=O)OC(C)(C)C)c12 225758976 QZYBPSCPUDNFFH-UHFFFAOYSA-N 263.293 3.788 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCCC[C@H]1c1nccs1 72272077 PTGUTCQEAUJJFZ-OLZOCXBDSA-N 276.405 3.553 0 40 CHAB CCOC(=O)Cc1csc(Nc2cccc(C)c2C)n1 133834979 LXBUDEXAGJQFMN-UHFFFAOYSA-N 290.388 3.609 0 40 CHAB Cc1ccc(C)c(CNc2ccc(Cl)c(C(N)=O)c2)c1 40501261 GQSBOKOZQCXLRO-UHFFFAOYSA-N 288.778 3.668 0 40 CHAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1C 5558513 ULCCELHIJBOVQV-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 12342292 ZCAFLKUJZUZMIA-FRFSOERESA-N 298.430 3.891 0 40 CHAB CC(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1 32738551 HLJDTMPWJCGYKA-UHFFFAOYSA-N 273.357 3.820 0 40 CHAB c1csc(-c2nc3c4c5c(sc4ncn3n2)CCC5)c1 4511381 SJEGIGGHYFUXFR-UHFFFAOYSA-N 298.396 3.556 0 40 CHAB CCOP(=O)(OCC)[C@H](C)C(=O)c1ccccc1 34057025 YVVBYGFBDSRAFA-LLVKDONJSA-N 270.265 3.524 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc2ncccc12 40023826 CHGCFKGEPIZJPM-JSGCOSHPSA-N 283.375 3.935 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)c1ccccc1 140650 VOHIVHYGFMOJFG-UHFFFAOYSA-N 263.296 3.881 0 40 CHAB CN(Cc1cccs1)C(=O)c1cccc2cccnc12 32716649 GFLSYWVNHKVYHR-UHFFFAOYSA-N 282.368 3.569 0 40 CHAB CCc1sc(C2CCNCC2)nc1-c1ccccc1 53252403 FAOLYWZPITUFLX-UHFFFAOYSA-N 272.417 3.840 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1ccc2nsnc2c1 258383 GTCOEVUKBQIDMJ-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB COc1cccc(C(=O)Nc2cccc3c2CCCC3)c1 290296 OAFJCKSMCZKLBH-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB C[C@H](Oc1cccc(C(F)(F)F)c1)c1ccno1 3017442 AAVVHUKYGGKRSQ-QMMMGPOBSA-N 257.211 3.833 0 40 CHAB CC(C)C1CCC2(CC1)CCN(CCCN(C)C)CC2 1667787 FMRAXIRZCYGJPT-UHFFFAOYSA-N 280.500 3.867 0 40 CHAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2C(C)(C)C 79491333 UXFCAFDINWTHOR-SNVBAGLBSA-N 283.397 3.592 0 40 CHAB C[C@@H]1C(O)[C@H](C)[C@@H](c2cccs2)N[C@@H]1c1cccs1 4099760 CPNYMZKNSCYTRC-AMQKRFAPSA-N 293.457 3.828 0 40 CHAB Cc1cc2cc(CN[C@@H]3CCCC[C@@H]3C)c(=O)[nH]c2cc1C 4130516 ZVFAZZPOEXSAFE-YVEFUNNKSA-N 298.430 3.813 0 40 CHAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](C)C1 4800822 DTOIWNVFMYNSDW-SNVBAGLBSA-N 266.772 3.912 0 40 CHAB Cc1ccc(NC(=O)CCn2cnc3ccccc32)c(C)c1 12540740 CGZXXORMERFWBD-UHFFFAOYSA-N 293.370 3.682 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)N1Cc2ccccc2C1 106316897 YCJKWIJVJNWSAQ-UHFFFAOYSA-N 278.355 3.723 0 40 CHAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCCCC2)c(Cl)c1 25404502 PQWPHZZSYOEZDM-CYBMUJFWSA-N 294.826 3.770 0 40 CHAB O=C(/C=C/c1ccc(Cl)s1)NC1CCCCC1 12617838 UUKGLHXQCJUOTF-VQHVLOKHSA-N 269.797 3.864 0 40 CHAB Cc1cc(-c2csc(NC(=O)c3ccccn3)n2)c(C)o1 58149961 IVRMWUDFSLNSDZ-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB O=Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 53944116 CDAUVAYXINGTEA-UHFFFAOYSA-N 270.719 3.551 0 40 CHAB O=C(CCC1OCCCO1)c1ccc(Cl)c(Cl)c1 2581266 PZANZKGDSOLHAH-UHFFFAOYSA-N 289.158 3.719 0 40 CHAB CCN(C(=O)c1ccc(C)nc1)c1nc2ccccc2s1 12818158 NLZQAIBEGJIJPF-UHFFFAOYSA-N 297.383 3.666 0 40 CHAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1 2729213 ORMPWWHFASCUBD-ZDUSSCGKSA-N 290.407 3.590 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 12919585 CXKDGIHQXYZRLQ-SJCJKPOMSA-N 299.345 3.999 0 40 CHAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(C)c(C)c2)cc1 7460239 HGODCUPOHVUTGL-CQSZACIVSA-N 298.386 3.751 0 40 CHAB Cc1c(C(=O)NC2CCCCC2)oc2ccc(F)cc12 7943545 XXRILBASHRBDDX-UHFFFAOYSA-N 275.323 3.943 0 40 CHAB OC1=NC(=S)S/C1=C\c1ccc(Cl)s1 16990232 CSUVQSLUHHQEMY-HYXAFXHYSA-N 261.780 3.731 0 40 CHAB in-vitro CC[C@H](C(=O)Nc1ccncc1C)c1ccccc1 71885870 UEBYSMNKHYRURL-AWEZNQCLSA-N 254.333 3.522 0 40 CHAB O=C(C1CCCCC1)N1CCc2[nH]c3ccccc3c2C1 9899784 KJUFCXCLYBJYTE-UHFFFAOYSA-N 282.387 3.633 0 40 CHAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1cncc(F)c1 97037113 REWJRUIVUVOESO-GFCCVEGCSA-N 299.349 3.521 0 40 CHAB C[C@H](NCc1ccccc1)c1ccccc1-n1cccn1 89909876 DNXKUHVNASKMRM-HNNXBMFYSA-N 277.371 3.723 0 40 CHAB CCC[C@@H](C)C(=O)Nc1c(C)cc(N(C)C)cc1C 89949452 OHEKUALUFLQRDW-LLVKDONJSA-N 262.397 3.744 0 40 CHAB Cc1ccc([C@H](NC(=O)c2cc(C3CC3)on2)C2CC2)cc1 25582718 WOKMKUGIMKXAKF-KRWDZBQOSA-N 296.370 3.742 0 40 CHAB O=C(O)CC[C@H](C(=O)c1ccccc1)c1ccccc1 3844247 NTPZHUOJVKOUHC-HNNXBMFYSA-N 268.312 3.518 0 40 CHAB biogenic O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1Cl 7402019 QKKPWXRXYMKVGF-ZHACJKMWSA-N 293.775 3.753 0 40 CHAB CC[C@H](N)c1cnc(N(C)c2ccccc2)cc1C 72223349 BBKILCAZJVBQEK-HNNXBMFYSA-N 255.365 3.568 0 40 CHAB CC(C)=CC(=O)N[C@@H](C)c1cccc(Br)c1 30468041 JANHDSNGHZYQTB-JTQLQIEISA-N 282.181 3.593 0 40 CHAB CNc1cc(C)c([C@@H]2CCCCN2CC(C)C)cn1 72219062 CIQFVEIMCYQJQD-HNNXBMFYSA-N 261.413 3.615 0 40 CHAB COc1ccc2cc([C@@H](O)c3ccsc3)ccc2c1 49956082 DUUBOLPJYZFDFQ-MRXNPFEDSA-N 270.353 3.992 0 40 CHAB Cc1ccc(O[C@@H](Cc2cc(C)ccc2C)C(=O)O)cc1 225027754 YYAYIHMZLRIJHD-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB Brc1nc(-c2ccccc2)n2c1CCCC2 84197341 QQWVHNOVWAAONV-UHFFFAOYSA-N 277.165 3.649 0 40 CHAB CCOC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225646739 OFUFLOMWLXAYQM-GFCCVEGCSA-N 279.380 3.618 0 40 CHAB CCCNC(=O)c1ccc(Nc2ccccc2CC)c(N)c1 225420009 ITALJDHEIOKIJD-UHFFFAOYSA-N 297.402 3.715 0 40 CHAB Cc1ccc(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1Cl 95634094 GXSXKYDUDCQNCK-RYUDHWBXSA-N 280.751 3.722 0 40 CHAB c1ccc(N2ONc3c2ccc2c3CCN=N2)cc1 90751749 UWAWBPYLOWXRLU-UHFFFAOYSA-N 252.277 3.737 0 40 CHAB Fc1ccc(CNc2ccnn2CCC(F)(F)F)s1 256053120 QCQFNLVBLQWTGQ-UHFFFAOYSA-N 293.289 3.648 0 40 CHAB O=C(CCc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 260897568 JAHQWKVZZZYOAN-YDHLFZDLSA-N 277.795 3.577 0 40 CHAB Fc1ccc(Br)c(COCC2CC2)c1 379487228 JFDJVKRJKDBYPY-UHFFFAOYSA-N 259.118 3.515 0 40 CHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)c1cc(Cl)cc(Cl)c1 95634177 KNWDHWYRCHLYCK-NEPJUHHUSA-N 299.153 3.843 0 40 CHAB Cc1ccc2c(CO)cc(-c3cccs3)nc2c1 685937304 MVZDXSYHMKNBLL-UHFFFAOYSA-N 255.342 3.764 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2nnsc2Cl)o1 53426519 SBMVWOYKJXBCSA-PSASIEDQSA-N 297.811 3.540 0 40 CHAB O=C(NCC1CC1)N1CCC[C@H]1CC1CCCCC1 89818314 PZVPNSZJMDDQCS-HNNXBMFYSA-N 264.413 3.541 0 40 CHAB Cc1nc(Nc2cccc(F)c2F)cc(C(F)F)n1 1888879361 FSVOYBNNJDZFGH-UHFFFAOYSA-N 271.217 3.744 0 40 CHAB COc1ccccc1/C=C/C(=O)NC[C@H](C)c1ccccc1 8168559 VVYXPQXQBSXTQD-LHNRBYRGSA-N 295.382 3.628 0 40 CHAB COc1ccc([C@@H](Cc2ccccc2)C(C)=O)cc1 5434387 QOOIXKYFDUCJIB-KRWDZBQOSA-N 254.329 3.611 0 40 CHAB CC[C@@H](C)[C@H](N)c1nnc(SCc2ccccc2F)o1 5046951 PLNKIEDQPPUBSN-SKDRFNHKSA-N 295.383 3.547 0 40 CHAB CC(C)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1 13154559 OJCCLXSLFFUQLD-FSDCSDTHSA-N 295.382 3.512 0 40 CHAB CC(=O)CSc1nc2cc(Cl)c3cccnc3c2o1 15083413 WCSBTVDKULXGGW-UHFFFAOYSA-N 292.747 3.711 0 40 CHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CC2)c1 8718105 CRXZYPQRPTZBIX-UHFFFAOYSA-N 294.354 3.596 0 40 CHAB C[C@H](NC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1 30115457 NGOYMBJNMUKVMU-VIFPVBQESA-N 283.249 3.789 0 40 CHAB CCCc1cc(C(=O)Nc2cccc3ccccc23)n(C)n1 385446 HBQGXFUNIOZEIA-UHFFFAOYSA-N 293.370 3.778 0 40 CHAB Oc1ccc(-c2noc(CCC3CCCC3)n2)cc1 20432804 UTDZVAATRIONED-UHFFFAOYSA-N 258.321 3.565 0 40 CHAB COCc1ccccc1NC(=O)NC1CCC(C)CC1 40527936 LZOZDJXBHCNHBZ-UHFFFAOYSA-N 276.380 3.533 0 40 CHAB Cc1ccc(C(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102179257 JYFQYTBVEGUFNZ-BPUTZDHNSA-N 286.371 3.547 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)CC1CCCC1 32781401 ZUBQVFMZZLNFOG-LLVKDONJSA-N 263.406 3.774 0 40 CHAB O=C(Nc1ccccc1SC(F)(F)F)c1ccccn1 32931754 BQKHAFOEMHYNNV-UHFFFAOYSA-N 298.289 3.946 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3O)[C@@H]1[C@@H]2C 519479 YHPKSMCKTAILCI-CVARHFPVSA-N 258.361 3.928 0 40 CHAB biogenic Cc1ccc2ncc(Br)c(Cl)c2c1 41702249 KSQWQGWULHWFOA-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB in-vitro Cc1ccc(N2C(=O)CS[C@H]2c2cccs2)cc1 179816 APKXDQPJBFUYRN-AWEZNQCLSA-N 275.398 3.835 0 40 CHAB CCOC(=O)c1cc2cc3ccc(OC)cc3nc2s1 421783 KBKXBVOYICBINY-UHFFFAOYSA-N 287.340 3.635 0 40 CHAB Nc1cc2nn(-c3cccc4ccccc34)nc2cc1Cl 569823 ASTJJADDGRRJSW-UHFFFAOYSA-N 294.745 3.809 0 40 CHAB O=C(Nc1cnc2ccccc2c1)C1CCCCC1 1512396 LNSLNWYQPNLURU-UHFFFAOYSA-N 254.333 3.754 0 40 CHAB O=C(Nc1cccc(F)c1)c1ccc2ccccc2n1 2653239 BQFIYJYVTDZTQJ-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB CC[C@@H]1CCCCN1C(=O)CSC1CCCCC1 3257934 SHTILZXRCGQERA-CYBMUJFWSA-N 269.454 3.843 0 40 CHAB CCNc1nc(-c2cccs2)nc2ccccc12 3455745 TZWACSIIWFARTP-UHFFFAOYSA-N 255.346 3.790 0 40 CHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nccs1 4999345 LABFOXCPLPSUCL-QMMMGPOBSA-N 298.820 3.916 0 40 CHAB Cc1cccc2c1OCc1nc3ccccc3cc1C2=O 5175920 WINIVNVFRUPZTK-UHFFFAOYSA-N 275.307 3.667 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)c1n[nH]cc1Cl 5642073 SDKCZKZUGMARKV-UHFFFAOYSA-N 277.755 3.747 0 40 CHAB O=C1c2ccsc2SCCN1Cc1ccc(F)cc1 5944775 CKLMPEGPAKNJIL-UHFFFAOYSA-N 293.388 3.635 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3ccccn3)cc2)oc1C 6280134 SWASDIWKEGBVEM-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CN(C)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1 6637759 JDTJFIZEKRMCEF-UHFFFAOYSA-N 273.763 3.633 0 40 CHAB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=O 6779848 LFTZZTWWFNZEGT-UHFFFAOYSA-N 270.372 3.976 0 40 CHAB CN(Cc1ccccc1F)C(=O)c1cc2ccccc2o1 7265743 WXRUVPBAGXJIBQ-UHFFFAOYSA-N 283.302 3.844 0 40 CHAB CC[C@H](C)NC(=S)Nc1ccc(C)c(Cl)c1 7557223 WBZDEVDLINUWOI-VIFPVBQESA-N 256.802 3.733 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(F)cc1 7829309 AMMRWEIECNVXOS-SNVBAGLBSA-N 275.348 3.647 0 40 CHAB Cc1cccc(OCCCNC(=O)c2ccc(C)s2)c1 12397553 NEHQLZMDIRLJRW-UHFFFAOYSA-N 289.400 3.564 0 40 CHAB CCCCC(=O)Oc1ccc(Br)cc1 13987917 WTSOREXNAUZTDM-UHFFFAOYSA-N 257.127 3.545 0 40 CHAB c1ccc(Oc2ccc(OC3CCNCC3)cc2)cc1 14631925 BOOQGFFJYGHEDU-UHFFFAOYSA-N 269.344 3.610 0 40 CHAB CC(C)CCCNC(=O)N[C@@H]1CCCc2ccccc21 23143653 HUMJYMGZBJPOIS-MRXNPFEDSA-N 274.408 3.799 0 40 CHAB CSc1ncccc1C(=O)Nc1ccc2ccccc2n1 24968427 DESFHQVMNAZDMI-UHFFFAOYSA-N 295.367 3.604 0 40 CHAB O=C(c1csc(-c2cccs2)n1)N1CCCCCC1 28650065 BKEDQOGOBSHUQF-UHFFFAOYSA-N 292.429 3.888 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCCCCC1 30862221 CCDMLENNHZCKTB-OAHLLOKOSA-N 275.392 3.555 0 40 CHAB Cc1nc(S)sc1CC(=O)NC1CCCCCCC1 48389415 ADSNRQKXWRPVOZ-UHFFFAOYSA-N 298.477 3.512 0 40 CHAB Cc1cc(C)cc(N[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 57644955 QBDBFCYSIWLFCN-INIZCTEOSA-N 296.414 3.762 0 40 CHAB CCCCN1Cc2ccccc2C[C@H]1c1nnc(CC)o1 58433524 UBLLTNPPVOOXDH-HNNXBMFYSA-N 285.391 3.532 0 40 CHAB CNC[C@H](OC(C)C)c1ccc(Cl)c(Cl)c1 62711714 BDLZMVNVCWLPPD-LBPRGKRZSA-N 262.180 3.679 0 40 CHAB CSc1ncc(CNC(C)(C)CC(C)(C)C)cn1 62717236 CPIRZDITQYDJNY-UHFFFAOYSA-N 267.442 3.503 0 40 CHAB Nc1ccsc1-c1ccc(Br)cc1 71609199 XADIYHKPWWJZID-UHFFFAOYSA-N 254.152 3.760 0 40 CHAB C[C@@H](OCC1CC1)c1ccc(Br)cc1 72209996 CUHSHUWHDMPZHF-SECBINFHSA-N 255.155 3.937 0 40 CHAB CN(C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72212682 DCUQEPYYYKKNMG-SFHVURJKSA-N 295.430 3.875 0 40 CHAB O=C(Nc1cnc2ccccc2c1)NC1CCCCC1 74904295 MHNLTZUFIGBRAC-UHFFFAOYSA-N 269.348 3.689 0 40 CHAB Cc1noc(N)c1C(=O)O[C@H](C)c1cccc2ccccc12 84026715 JFCSPUWOQUPVKZ-LLVKDONJSA-N 296.326 3.636 0 40 CHAB CCc1ccccc1C(=O)c1ccc(N(C)C)cc1 95916904 JGZDJTYCMPCODY-UHFFFAOYSA-N 253.345 3.546 0 40 CHAB CC(C)CC[C@@](C)(NCc1cccc(Cl)c1)C(=O)O 95948583 JUSATYGBRISKTN-OAHLLOKOSA-N 283.799 3.709 0 40 CHAB Cc1cccnc1CN(Cc1cccnc1)Cc1ccco1 97080442 LAFQDXPNEGGWHA-UHFFFAOYSA-N 293.370 3.580 0 40 CHAB CC(C)(CO)[C@@H]1O[C@H]2CCCC[C@@H]2[C@H]2C=CCC[C@@H]21 102805115 UUJKDBXPGVPHKQ-RBGFHDKUSA-N 264.409 3.545 0 40 CHAB Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N 116879104 TYVHWMWGBLWDBH-UHFFFAOYSA-N 293.370 3.631 0 40 CHAB O=C(NCc1cncc(-c2ccsc2)c1)[C@H]1CC=CCC1 206944723 QLNSHWOLXGPQAI-AWEZNQCLSA-N 298.411 3.783 0 40 CHAB Cc1cc(N)cc(Br)c1N(C(C)C)C(C)C 226755722 UWEPTADZGXBNKC-UHFFFAOYSA-N 285.229 3.963 0 40 CHAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 245253810 GIXJWQWFZRJSRT-JBVBMRLASA-N 281.446 3.625 0 40 CHAB C[C@H](C(=O)N[C@H](C)C(C)(C)C)n1cc(-c2ccccc2)cn1 257173278 IFRMUHOROULFRS-ZIAGYGMSSA-N 299.418 3.662 0 40 CHAB Cc1cc(C)c2oc(N3CCC[C@H]3c3cc[nH]n3)nc2c1 519578711 HALLTRQFRICWLE-AWEZNQCLSA-N 282.347 3.509 0 40 CHAB C(=C1C[C@@H]2CC[C@H](C1)N2Cc1ccccn1)C1CC1 1776009450 MNZJQPXEAGTKFF-CALCHBBNSA-N 254.377 3.545 0 40 CHAB O=C1O[C@@H](Nc2ccc(F)c(Cl)c2)c2ccccc21 91736 NBAXWLCBUCRAOB-CYBMUJFWSA-N 277.682 3.760 0 40 CHAB CSc1nc(C)nc2sc3c(c12)CC[C@@H](C)C3 413938 LLKRXHQJWJADGO-SSDOTTSWSA-N 264.419 3.846 0 40 CHAB OC1=N[C@H](c2nc(-c3ccccc3)cs2)N2CCCC[C@@H]12 78759003 YCOVPTWWRJLCTA-KBPBESRZSA-N 299.399 3.633 0 40 CHAB COC(=O)c1c(C)cccc1C(=O)c1c(C)cc(C)cc1C 1600776 BHQYKYVCZFVUHS-UHFFFAOYSA-N 296.366 3.938 0 40 CHAB O=C(O)c1ccc2ccc(F)cc2c1C(=O)c1ccccc1 1602128 YLIUCAQSHLOQND-UHFFFAOYSA-N 294.281 3.908 0 40 CHAB CC1(C)C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)C1=O 4751446 NUIJVOVPORDSSK-HZPDHXFCSA-N 294.350 3.664 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(C)cc1 6946871 DMGGIBFRHXRCSW-QWHCGFSZSA-N 265.422 3.780 0 40 CHAB CCSC(NC(=O)Nc1ccc(C)cc1)SCC 1390995 OHULBRBTPAQGBF-UHFFFAOYSA-N 284.450 3.906 0 40 CHAB O=C(Cc1nc2ccccc2o1)c1ccccc1Cl 34940230 IGFOZAUJTWMVIJ-UHFFFAOYSA-N 271.703 3.907 0 40 CHAB Cc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)o1 12600827 DLOSANUCZICDLA-GHXNOFRVSA-N 259.692 3.734 0 40 CHAB Nc1cn2ccccc2c1-c1nc2ccccc2s1 27753095 ZQNMJHAIBDIETD-UHFFFAOYSA-N 265.341 3.798 0 40 CHAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccc(F)cc1 10311120 ZBNGQZHPUWGJJV-QGZVFWFLSA-N 298.361 3.601 0 40 CHAB O=C(c1cc2ccccc2o1)N1CCc2sccc2C1 10922343 CXPBKMQKAGRVSP-UHFFFAOYSA-N 283.352 3.693 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)NC1CCCC1 113954403 AKBLMUUNLWBKNP-ZDUSSCGKSA-N 281.783 3.556 0 40 CHAB CC1(C)COC(CCCC(=O)c2cc(F)ccc2F)OC1 2518081 YFOHKCHOTPLZDM-UHFFFAOYSA-N 298.329 3.717 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)C1CCCCC1 20041731 HVYYDCGFZTYHPX-MRXNPFEDSA-N 293.382 3.774 0 40 CHAB Cn1c(CN2CCCCCCC2)nc2cc(Cl)ccc21 49236427 ZXUZEECNLZOTGB-UHFFFAOYSA-N 291.826 3.993 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 20460741 AUGOFRBQKFFNDS-JKSUJKDBSA-N 297.398 3.948 0 40 CHAB COc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 9251027 CWVZODIMOBRALP-UHFFFAOYSA-N 299.345 3.639 0 40 CHAB CCCCCNc1ncnc2c1oc1ccccc12 5185940 VLJRSCFFKBADNT-UHFFFAOYSA-N 255.321 3.978 0 40 CHAB CC(C)CCn1c(COc2ccccc2)n[nH]c1=S 6357897 SSXZGMOCHMKNCC-UHFFFAOYSA-N 277.393 3.566 0 40 CHAB c1ccc2c(c1)CCN(c1nc3ccccc3s1)C2 14246967 SUMKTJDWYOSGDW-UHFFFAOYSA-N 266.369 3.859 0 40 CHAB O=C(NCc1ccco1)c1cc2c(F)cccc2s1 7038713 OCZIAVPSRPZQLR-UHFFFAOYSA-N 275.304 3.563 0 40 CHAB CN(C)[C@@H](CNc1nccc2occc12)c1ccccc1 89313888 LWGHKXTWKCWQCG-HNNXBMFYSA-N 281.359 3.543 0 40 CHAB O=NC=C1C=CN(CCCCN2C=CC(=CN=O)C=C2)C=C1 38193442 RFPSJUSVLSGQIB-UHFFFAOYSA-N 298.346 3.753 0 40 CHAB CN(C)c1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1 30978135 BZJACYLXXJHPHW-SFHVURJKSA-N 294.398 3.512 0 40 CHAB CC[C@@H](NC(=O)c1ccccc1OC)c1ccccc1 36562663 VKIHNHBFSAXRHZ-OAHLLOKOSA-N 269.344 3.576 0 40 CHAB CCCOc1ccc(CNc2ncccc2C)cc1 72226348 GABPCDFDXBYENV-UHFFFAOYSA-N 256.349 3.791 0 40 CHAB Cc1ccc(OCc2ccc(Cl)cc2)c(CO)c1 71409693 QOHHZEYJIPTXPK-UHFFFAOYSA-N 262.736 3.720 0 40 CHAB Nc1nnc(-c2sc3cc(Cl)ccc3c2Cl)o1 216745999 LZSGZDYTRFQJFW-UHFFFAOYSA-N 286.143 3.840 0 40 CHAB CC[C@@H](C(=O)O)N(CC)c1ccc(Cl)c(Cl)c1 224995076 JIUVBIMRYCQMAO-NSHDSACASA-N 276.163 3.683 0 40 CHAB CC[C@H](NC(=S)Nc1cccnc1)c1ccc(C)cc1 225486470 NIAJOBFYZRIQKK-HNNXBMFYSA-N 285.416 3.828 0 40 CHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)cc1 225610245 RGTMQWJGQJLYBZ-QGZVFWFLSA-N 293.407 3.865 0 40 CHAB CC[C@@H](C(=O)O)N1c2cc(C)ccc2C(C)=CC1(C)C 223196294 QIPOJBQSRUKJKF-AWEZNQCLSA-N 273.376 3.860 0 40 CHAB CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)OC)cc1C 225600017 MBKRKOLDFAFUES-LBPRGKRZSA-N 279.380 3.536 0 40 CHAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccncc2)c1 225538917 KSDWPPDVMBDTDZ-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB O=Cc1ccc(OCc2ccc(Cl)cc2)c(F)c1 95738872 RFQNYXIOWVNCHB-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB Cc1c(Cl)cccc1C(=O)[C@H]1CCCC[C@@H]1C(=O)O 95634075 OVXRXWANKGKKSJ-RYUDHWBXSA-N 280.751 3.722 0 40 CHAB Nc1cc2cc(C(F)(F)F)ccc2nc1OCC1CC1 685938326 HOUOLBXTQZGKIS-UHFFFAOYSA-N 282.265 3.625 0 40 CHAB O=C(N1CC[C@@H]1C1CCCC1)C12CC(C(F)(F)F)(C1)C2 889407342 ONCYIRXBNJDYLL-LMWSTFAQSA-N 287.325 3.510 0 40 CHAB Cc1ccc([C@@H](CN[C@@H]2CCCC2(C)C)N2CCCC2)o1 97016746 BZCOWCNZDBKBIR-NVXWUHKLSA-N 290.451 3.893 0 40 CHAB FC(F)Oc1ccc(NC2=NCCCCC2)cc1 203882 YGIFOAFUINSKEN-UHFFFAOYSA-N 254.280 3.672 0 40 CHAB CC(=O)c1c(Nc2cccc(Cl)c2C)oc(C)cc1=O 1438911 HSANFAPOBVYKED-UHFFFAOYSA-N 291.734 3.856 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3snnc3c2)cc1C 5152101 ZZHWQIDUZDBAAD-UHFFFAOYSA-N 298.371 3.952 0 40 CHAB CCOc1ccc(NC(=S)Nc2cc(C)ccn2)cc1 5225275 ITJDXLVRFOQQLD-UHFFFAOYSA-N 287.388 3.598 0 40 CHAB Fc1ccc(C2CCN(Cc3cccnc3)CC2)cc1 12113954 XURLKIVSAQCQLY-UHFFFAOYSA-N 270.351 3.600 0 40 CHAB CC(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 13166484 QZXMJZJGEZDZMC-UHFFFAOYSA-N 283.327 3.761 0 40 CHAB C[C@@H](Cc1ccccc1)N(O)[C@H](C)Cc1ccccc1 17014041 ZLCIDACDFVCFMF-IYBDPMFKSA-N 269.388 3.940 0 40 CHAB C[C@@H]1CCCCN1C(=O)Nc1ccc(Br)cc1 33620912 QZPQBTXQTXTSRH-SNVBAGLBSA-N 297.196 3.855 0 40 CHAB O=C(Nc1ccc(F)cc1F)c1ccc(Cl)s1 567915 IYUMHVJKJXAHBD-UHFFFAOYSA-N 273.691 3.932 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 4081945 VMYTXBKVYDESSJ-NBBHSKLNSA-N 288.431 3.879 0 40 CHAB biogenic C(/C=C/c1ccnc(N2CCCC2)n1)=C\c1ccccc1 70666608 CSUKSQHKUYRKKR-ZVSIBQGLSA-N 277.371 3.803 0 40 CHAB biogenic Nc1nc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1 100425360 TXTLCPGTCAUVNV-ACXUVZMJSA-N 268.813 3.555 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC2 20569901 HGVJDMPQHDEPHE-BLLLJJGKSA-N 272.392 3.876 0 40 CHAB Cc1cccc(C)c1N[C@@H]1OC(=O)c2ccccc21 202923 QAWBSGWFZDWXRF-OAHLLOKOSA-N 253.301 3.585 0 40 CHAB CCc1cccc(C)c1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 429494 RTXOVAWTQPVOTD-UHFFFAOYSA-N 298.386 3.957 0 40 CHAB Cc1ccccc1C(=O)Nc1nc2ccccc2s1 338608 ZJOUEENMQIYEQD-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB CN(C)C(C)(C)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 1700036 DTIKEEZPIDWSHF-WOSRLPQWSA-N 253.430 3.558 0 40 CHAB COc1cc(C)ccc1OC(=O)Nc1ccccc1 1732173 XGYFNTTVUVBSHJ-UHFFFAOYSA-N 257.289 3.615 0 40 CHAB O=C1CCC[C@H]2[C@H]1CCC[C@@]2(O)CCc1ccccc1 4529723 NFYFKILLGXOWOJ-SOLBZPMBSA-N 272.388 3.520 0 40 CHAB CC(C)[C@@H](C)NC(=O)C(c1ccccc1)c1ccccc1 7804098 HXUAYIBMNPADHN-OAHLLOKOSA-N 281.399 3.979 0 40 CHAB Cc1ccc(C(=O)Nc2cc(N)ccc2C)cc1Cl 57340162 XEWFFVMVLPBUOD-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C 25769311 MAFXNZDMVZTCFP-MFKMUULPSA-N 290.432 3.809 0 40 CHAB O=C(Nc1ccccc1)c1cc(-c2ccccc2Cl)[nH]n1 57412175 WKTJNKJKXXWNPG-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1-n1cccn1 48152355 BLLBGXZTFZPATB-KGLIPLIRSA-N 298.390 3.573 0 40 CHAB CC(C)C(=O)c1cc(Cl)cc(Br)c1O 52068525 MPKQOWOADYAYPZ-UHFFFAOYSA-N 277.545 3.647 0 40 CHAB CCCCSc1nc(C)c(CCC(C)C)c(=O)[nH]1 2191066 GCAGWAZZCMFUKJ-UHFFFAOYSA-N 268.426 3.559 0 40 CHAB CCCCN1CSC(=S)N(Cc2ccccc2)C1 27440245 GKODUQFGYOBNMB-UHFFFAOYSA-N 280.462 3.537 0 40 CHAB in-vitro Cc1ccc(N2NC3(CCCCCCC3)NC2=S)cc1 59488399 DDPSPMREZYYKQR-UHFFFAOYSA-N 289.448 3.635 0 40 CHAB C[C@@H](NC(=O)c1ccsc1)c1ccc(OC(F)F)cc1 12927843 MAOFEXZPBHBIOK-SECBINFHSA-N 297.326 3.841 0 40 CHAB CSc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1 409022144 GGZSZYNUIQYYTN-XYOKQWHBSA-N 293.413 3.853 0 40 CHAB COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1F 13007592 IUGBDZQSJFZAEU-MRXNPFEDSA-N 299.345 3.594 0 40 CHAB Fc1ccc(OCc2nnc(-c3ccc(F)cc3)o2)cc1 9219229 DTXJBWSMEZTPLX-UHFFFAOYSA-N 288.253 3.594 0 40 CHAB CC[C@@H](C)NC(=O)NC1CCC(C(C)(C)C)CC1 13746335 GEMXCLBRSMZYOG-PNESKVBLSA-N 254.418 3.689 0 40 CHAB CSc1ccc(CN(C)C(=O)c2ccsc2)cc1 39976128 INJGUWIFDNDDAC-UHFFFAOYSA-N 277.414 3.742 0 40 CHAB CCn1c2ccc(C)cc2c2nnc(SC(C)C)nc21 5484457 ZACZIHWTOBOHHM-UHFFFAOYSA-N 286.404 3.808 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 4613865 KQIKUEMEPOYEBC-LZQZEXGQSA-N 293.410 3.928 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1[C@H](O)CC2=O 118929074 NDMWORHBIUVARH-UHMRPQOVSA-N 290.447 3.959 0 40 CHAB Cc1csc(NC(=O)/C=C/c2c(F)cccc2Cl)n1 5669748 UTKVBMWEFGJXGH-AATRIKPKSA-N 296.754 3.896 0 40 CHAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C 6790470 WCNBEXAGHDBVEF-BXUZGUMPSA-N 295.810 3.722 0 40 CHAB CO[C@H](C)c1cccc(N[C@@H]2C[C@H](C)N(C)C[C@H]2C)c1 97045953 UIHKEERKLQQKBS-UMPJEAMMSA-N 276.424 3.535 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 20460740 AUGOFRBQKFFNDS-HZPDHXFCSA-N 297.398 3.948 0 40 CHAB Cc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1F 8077752 RVXFHJHPVYKOPL-UHFFFAOYSA-N 276.311 3.806 0 40 CHAB CCCC[C@H](CC)CNC(=O)Cc1ccc(F)cc1 17173089 NKCRPQMTXRVGAI-ZDUSSCGKSA-N 265.372 3.701 0 40 CHAB CCC(=O)Nc1c(F)cccc1Oc1ccccc1 69537800 BMXLOBGQQFMMSQ-UHFFFAOYSA-N 259.280 3.967 0 40 CHAB Cc1csc(C(C)(C)NC(=O)c2ccc3[nH]ccc3c2)n1 75140074 GOGGVHOKIKLXMQ-UHFFFAOYSA-N 299.399 3.598 0 40 CHAB CC(C)Sc1ccccc1NC(=O)C1CCOCC1 89891031 PRJAPNWFWCXRPB-UHFFFAOYSA-N 279.405 3.552 0 40 CHAB OCCCNc1cc(Cl)ccc1Oc1ccccc1 75568226 VPDOKQSHGAVIRT-UHFFFAOYSA-N 277.751 3.927 0 40 CHAB CC(C)Oc1ccc(CNC(=O)/C=C/c2ccccc2)cc1 20492906 KINKUDDRYNLQIA-JLHYYAGUSA-N 295.382 3.803 0 40 CHAB O=C1CCCC[C@H]1c1ccc(Br)cc1 62624952 FQJMFYMWRHUBHC-NSHDSACASA-N 253.139 3.676 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1C 408680891 SLRDKZVEQZEAGX-INIZCTEOSA-N 297.398 3.729 0 40 CHAB CCOc1ccccc1C(=O)c1ccc(C)c(F)c1 55240111 XQYHBYWTDFTAAY-UHFFFAOYSA-N 258.292 3.764 0 40 CHAB CCCN1C(=O)/C(=C\c2ccco2)c2ccccc21 409119136 QXKZDJNYSFGXDO-KAMYIIQDSA-N 253.301 3.577 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1cccs1 32747963 ZTMLAOANPVEEIE-OLZOCXBDSA-N 261.390 3.768 0 40 CHAB Clc1onc2c1CC[C@H]1[C@H](CC2)C1(Cl)Cl 219776209 NXZTZPRAJRVZEP-BQBZGAKWSA-N 266.555 3.627 0 40 CHAB Cc1nc(-c2ccc(Cl)cc2)cc(C2CCNCC2)n1 72384550 YHAMXJGKXJAFOS-UHFFFAOYSA-N 287.794 3.572 0 40 CHAB CCc1ccc(OCC[C@@H]2CCCCN2)c(Cl)c1 42770890 PWGNABJESQSLPJ-ZDUSSCGKSA-N 267.800 3.813 0 40 CHAB CCOc1c(C)cc(NC(=O)[C@](C)(CC)OCC)cc1C 225686419 BMBIJNIMSCTCDJ-KRWDZBQOSA-N 293.407 3.846 0 40 CHAB Cc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)c(Cl)c1 226274291 QXNSQNGYNOUEDI-LLVKDONJSA-N 289.762 3.954 0 40 CHAB CC[C@@H](C)Oc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1 225642664 MCOLAKYJRDHINH-SJKOYZFVSA-N 291.391 3.618 0 40 CHAB CCSc1ccc([C@H](C)NCc2ccnc(N)c2)cc1 193500935 SGIIZQILTIRDGC-LBPRGKRZSA-N 287.432 3.627 0 40 CHAB CC(C)N(C(=O)c1ccc2nc(Cl)oc2c1)C(C)C 225977937 AQEYGXHYYOCYGO-UHFFFAOYSA-N 280.755 3.740 0 40 CHAB FC(F)(F)C1CCN(Cc2csc(C3CC3)n2)CC1 179313429 ULHIDNHVZOFRON-UHFFFAOYSA-N 290.354 3.795 0 40 CHAB Cc1csc([C@H]2CCCCN2C(=O)c2ccoc2C)n1 72273744 PRTNFHUZWCZZLZ-CYBMUJFWSA-N 290.388 3.720 0 40 CHAB Fc1ccc(-c2nc(COc3ccccn3)cs2)cc1 73699966 FNFCRNNXOFOBPO-UHFFFAOYSA-N 286.331 3.923 0 40 CHAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc(F)cc1 430936 SUTJVPZHGFNCST-USFYMYEYSA-N 293.297 3.835 0 40 CHAB CCc1ccccc1NC(=S)NC(CC)CC 13823691 VDROHXBJJXFJJL-UHFFFAOYSA-N 250.411 3.724 0 40 CHAB c1ccc(-c2ccc(COCC3CCNCC3)cc2)cc1 14631399 XFOXDMCZHBCEJR-UHFFFAOYSA-N 281.399 3.870 0 40 CHAB CC(C)=C1C(C)(C)C1(Br)Br 1721766 SIKJYNDJPOBQOG-UHFFFAOYSA-N 267.992 3.849 0 40 CHAB CC(C)(C)OC(=O)NCCCn1ccc2ccccc21 35048931 PUZXBULOFTUQRI-UHFFFAOYSA-N 274.364 3.556 0 40 CHAB COc1cc(CNCC(C)C)ccc1OC1CCCC1 32123263 BKRWPRGWUBLQPU-UHFFFAOYSA-N 277.408 3.762 0 40 CHAB Cc1ccccc1NC(=O)c1ncc(-c2ccccc2)o1 8737023 OAEOKVRSEFFTDQ-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB CCOC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 3257675 BWTLOAULVWBENQ-UHFFFAOYSA-N 292.338 3.716 0 40 CHAB Cc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 68354 VKDYUSUSRNWMMK-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Br)cc2)C1 305145 SHQPZCKEWINHER-QWRGUYRKSA-N 296.208 3.567 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)c(F)c1 102444930 VVZGHHOERNPXPL-GARJFASQSA-N 265.303 3.730 0 40 CHAB Cc1cs/c(=N/c2ccccc2)n1Cc1cccnc1 102561225 WFRMMGNZFDPMTH-FBMGVBCBSA-N 281.384 3.534 0 40 CHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(F)cc1 483745 CEXHNJBMZLMGIO-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB CCc1ccc(CCC(=O)Nc2ccc(C)cc2)o1 536616 YRSRQZYSNWBOFG-UHFFFAOYSA-N 257.333 3.722 0 40 CHAB COc1nc(-c2ccc(Cl)cc2)nc2ccccc12 102211 FOFFFBOKXMZDOC-UHFFFAOYSA-N 270.719 3.959 0 40 CHAB CCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 142748 XHEYJNJUJZSQPT-UHFFFAOYSA-N 260.362 3.775 0 40 CHAB CCOc1ccc([C@@H](C)c2cc3c(cc2O)OCO3)cc1 1585476 NYIJGHXLXKNTQR-LLVKDONJSA-N 286.327 3.671 0 40 CHAB CCOP(=O)(Nc1ccccc1Cl)OCC 1676189 KEYVUNMUTNFRNB-UHFFFAOYSA-N 263.661 3.933 0 40 CHAB CC(=O)Oc1ccc(C(C)(C)c2ccccc2)cc1 1866946 AWLNMOJGJLOVGR-UHFFFAOYSA-N 254.329 3.938 0 40 CHAB CC1=CC[C@H](C(C)(C)NC(=O)c2ccccc2)CC1 3032915 OXLSQNCOUKNCLM-HNNXBMFYSA-N 257.377 3.941 0 40 CHAB Cn1c[n+](Cc2cccc3ccccc23)c2ccccc21 3289760 YOARQDMQJAAMSI-UHFFFAOYSA-N 273.359 3.667 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)C1CCCC1 3551979 ZSHNDRMJSOBBFK-UHFFFAOYSA-N 267.756 3.786 0 40 CHAB Cc1ccc2ccccc2c1NC(=O)CN1CCCCCC1 4903212 FNDOXOZWBOXJJU-UHFFFAOYSA-N 296.414 3.963 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2cc(F)ccc2C)cc1 5698860 XMRLKOMBGHRVBY-UXBLZVDNSA-N 285.318 3.795 0 40 CHAB O=C/C=C/C1=C2O[C@H]3C=CC=CC3=C[C@H]2c2ccccc21 5783176 LBAQLBKGECJMFD-CGNNYBMUSA-N 274.319 3.701 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1cc(C)ccc1C 6790677 JCFDIZXDEHHCLS-UHFFFAOYSA-N 267.328 3.758 0 40 CHAB CCNc1ncnc2cc(-c3ccc(F)cc3)sc12 7986366 OPELYTYWDSYPJT-UHFFFAOYSA-N 273.336 3.929 0 40 CHAB CCOc1ccc(CNC2CCCCC2)cc1OCC 8324852 KLQONMZHGLCLMM-UHFFFAOYSA-N 277.408 3.906 0 40 CHAB Cc1cc(=O)c2cc(Oc3ccccc3)ccc2[nH]1 8717144 ZBSNECQPGWJIGI-UHFFFAOYSA-N 251.285 3.629 0 40 CHAB O=C(Nc1c(-c2ccccc2)nc2sccn12)C1CCC1 8723583 LCDWSMZKGZEQDU-UHFFFAOYSA-N 297.383 3.801 0 40 CHAB CC(C)(C)c1ccc(Cn2cnc3ccsc3c2=O)cc1 9376608 JQZWSCVFZIHJIC-UHFFFAOYSA-N 298.411 3.804 0 40 CHAB Cc1sc2nc(-c3ccc(Cl)nc3)nc(N)c2c1C 9378909 VPEZZXGHQNQLQZ-UHFFFAOYSA-N 290.779 3.606 0 40 CHAB COc1ccccc1NC(=O)C(C)(C)c1ccccc1 10030049 RLIKHJIMSCNZPV-UHFFFAOYSA-N 269.344 3.612 0 40 CHAB Cc1nc(-c2ccc(CNC(=O)c3ccoc3)cc2)cs1 12615396 KYNMOBLEYKIAFD-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB O=C(Nc1ccccc1F)C1C2CC3CC(C2)CC1C3 12918890 FIJUXAPFMNWIKP-UHFFFAOYSA-N 273.351 3.837 0 40 CHAB CC(C)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 12993246 HKYBCGNOGQAMQZ-INIZCTEOSA-N 295.382 4.000 0 40 CHAB O=C(O)CCCCCCc1ccc2ccccc2n1 13283893 ZNFGVZOQGWBJOI-UHFFFAOYSA-N 257.333 3.812 0 40 CHAB Cc1cccc(C2=N/C(=C\c3sccc3C)C(=O)O2)c1 14241582 WXUZYPCPQYPGSA-LCYFTJDESA-N 283.352 3.709 0 40 CHAB CCc1cc(OCc2ccc(C(N)=O)cc2)ccc1Cl 14279747 AVNKWWGMISOVHW-UHFFFAOYSA-N 289.762 3.580 0 40 CHAB Cc1ccc(-c2cc(O)n(-c3nc4ccccc4o3)n2)cc1 14607841 QYPSAEMDEFZFMJ-UHFFFAOYSA-N 291.310 3.695 0 40 CHAB CCCC[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 17249175 HYUPNUOGNLMOIA-UHFFFAOYSA-N 275.803 3.842 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)C1CCC(C(C)(C)C)CC1 22837846 QRYAIPGBVDKJAL-UHFFFAOYSA-N 291.439 3.828 0 40 CHAB O=C(CCC1CCCC1)Nc1ccc(-n2cccn2)cc1 24570751 GXGGRMMOEOENCU-UHFFFAOYSA-N 283.375 3.781 0 40 CHAB CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2F)no1 27925238 YBRPCGOIGAABKG-UHFFFAOYSA-N 280.274 3.503 0 40 CHAB O=C(Cn1ccc2cc(Cl)ccc21)N1CCCCCC1 32092780 RJWUGVSBYNJBKK-UHFFFAOYSA-N 290.794 3.697 0 40 CHAB Cc1cc(NC(=O)Nc2ccccc2)n(C2CCCC2)n1 32611074 OQIGZIUXSQFEBA-UHFFFAOYSA-N 284.363 3.951 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)s1 32818548 ROLIWHCHQLWEGR-UHFFFAOYSA-N 298.367 3.993 0 40 CHAB CC(C)(C)OC(=O)c1ccccc1-c1ccc(CN)cc1 34057780 UUQYJSVKOBJOSJ-UHFFFAOYSA-N 283.371 3.768 0 40 CHAB COc1ccc(OCc2ccc(F)cc2Cl)c(CO)c1 37093992 SZSDHQYDEUQRMF-UHFFFAOYSA-N 296.725 3.559 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc(C(F)(F)F)cc1 40072015 ASWPBWXYCOKRLD-HOTUBEGUSA-N 271.282 3.539 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)C1CCCCC1 40467711 MGAWHHFGQFGHPK-NSHDSACASA-N 263.406 3.774 0 40 CHAB CC(C)(C)c1nc(CSc2nncn2C2CC2)cs1 40513750 MCTVBURVGOCXQC-UHFFFAOYSA-N 294.449 3.659 0 40 CHAB Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)cn1 45029098 QCTMZPUFUIUZIJ-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB O=C(CCC1CCCC1)N(Cc1ccncc1)C1CC1 50821965 DNJKHAZEVSFUQX-UHFFFAOYSA-N 272.392 3.543 0 40 CHAB O=C(NCc1ccc(F)c(Cl)c1)c1cc(F)ccc1F 60353492 DMOPMAJFNFHRKU-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB OCc1ccc(Cl)c(NCc2cccc(F)c2)c1 68923548 QFMSRHVCZFVQBQ-UHFFFAOYSA-N 265.715 3.584 0 40 CHAB Oc1c(Br)ccc2ccc(Cl)cc12 71477601 NVFPSNRZJLEAAU-UHFFFAOYSA-N 257.514 3.961 0 40 CHAB Cc1cc(O)ncc1[C@H]1CCCCN1Cc1ccccc1 72218167 YXVBGJNEEKPYSG-QGZVFWFLSA-N 282.387 3.823 0 40 CHAB Cc1nc(SCc2ccccc2)ccc1[C@@H](C)N 72224496 GGUYIDGTXBTILQ-LLVKDONJSA-N 258.390 3.702 0 40 CHAB Oc1ccc2c(c1)CN([C@@H]1CCCc3ccccc31)CC2 72291835 IVXQLEQJYREYDX-LJQANCHMSA-N 279.383 3.828 0 40 CHAB CC(C)Cn1ccc2c(NC(=O)c3cccnc3)cccc21 72326102 MZXBTLBBFFVWRM-UHFFFAOYSA-N 293.370 3.945 0 40 CHAB biogenic Cc1ccccc1CNc1nc(-c2ccccc2)no1 95397026 KSWKHRWOPHELIZ-UHFFFAOYSA-N 265.316 3.657 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)c(Cl)c1F)C(C)(C)C 95993668 NTFWMYJVNYELAS-SSDOTTSWSA-N 275.726 3.783 0 40 CHAB CCCCOC(=O)c1c(Cl)cc(C)nc1Cl 96509869 UQUYWZDXLOIDTM-UHFFFAOYSA-N 262.136 3.654 0 40 CHAB CCN(CC)CCCNc1c(Cl)cc(N)cc1Cl 96524284 YEEKHOPBRBKVSE-UHFFFAOYSA-N 290.238 3.719 0 40 CHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 100039542 DBPIPTPJHVEPCI-CSMYWGQOSA-N 291.350 3.541 0 40 CHAB CCN(C(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C)c1ccccc1 100892196 XESKLOIXNRTXCD-OALUTQOASA-N 299.414 3.825 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCCOC1CCCCC1 105765149 GOAZDPQWBBPBDG-JYJNAYRXSA-N 293.451 3.668 0 40 CHAB Nc1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1 119083475 NKKADLCTYFUVRY-UHFFFAOYSA-N 296.301 3.920 0 40 CHAB Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 206581823 CMKZSBYITRXXIT-UHFFFAOYSA-N 268.345 3.531 0 40 CHAB C[C@H](NC(=O)Cc1ccccc1)c1ccc2c(c1)CCC2 223150816 RKBWPEIZNCIWMQ-AWEZNQCLSA-N 279.383 3.595 0 40 CHAB CCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)cc1)C1CC1 225722166 VCWAEFRWIURNHH-QGZVFWFLSA-N 291.391 3.618 0 40 CHAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 225874087 ICNQBCUYVMQQGL-AWEZNQCLSA-N 285.362 3.862 0 40 CHAB Fc1cc(Br)cc(NCC(F)(F)F)c1 307362106 IJPHTHCGHMAEMH-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB COc1ccc(NC(=S)Nc2ccc3conc3c2)cc1 409199132 NXKGGQNLFJWQET-UHFFFAOYSA-N 299.355 3.645 0 40 CHAB CC(C)(C)c1csc(/C=C/c2cn(C3CCC3)nn2)n1 585091692 VDHIQAXNLRXYLP-BQYQJAHWSA-N 288.420 3.928 0 40 CHAB COc1cccc(CNCc2ccc3ncccc3c2)c1 37486651 MXOLARFNIKIGMK-UHFFFAOYSA-N 278.355 3.533 0 40 CHAB Cc1noc([C@@H](C)Sc2ccc3ccccc3n2)n1 22966763 SRBPWYIYAOZSDC-SECBINFHSA-N 271.345 3.780 0 40 CHAB O=C(Nc1ncc(Cl)cc1Cl)c1ccccc1 6095799 YLQRAXHYAJZEFI-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB CSc1ccccc1NC(=O)c1cc(C)n(C)c1C 8051748 GJDPNYSOIBSUBF-UHFFFAOYSA-N 274.389 3.616 0 40 CHAB CC(C)(CNc1ccc(Cl)c(Cl)c1)C(=O)O 8730705 DGUGFOQDGZTAJH-UHFFFAOYSA-N 262.136 3.516 0 40 CHAB CCNc1cc(Sc2ccc(F)cc2)nc(SC)n1 1398305 KQOYNALKWSGVPW-UHFFFAOYSA-N 295.408 3.921 0 40 CHAB Cc1cc2ncn(Cc3cccc(F)c3)c2cc1C 25219037 RVOCLMIZQGTWAC-UHFFFAOYSA-N 254.308 3.841 0 40 CHAB COc1ccc(C)c2sc(NCc3cccnc3)nc12 26422532 YRJPMLYAQIYONX-UHFFFAOYSA-N 285.372 3.620 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1 27917889 CNRGPSDACAYBTK-UHFFFAOYSA-N 291.354 3.687 0 40 CHAB CC1CCN(C(=O)CSCc2ccccc2Cl)CC1 20237978 LEIGUDRHXXYCRP-UHFFFAOYSA-N 297.851 3.832 0 40 CHAB CCOc1cccc(NC(=O)c2ccc(C)cc2C)c1 55767865 JSJUTQPAZFRVEU-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2)C1 3313093 OSFKVFNXNTVZMW-QWRGUYRKSA-N 285.309 3.824 0 40 CHAB CC(C)c1ccc([C@H](NC(=O)c2cnn(C)c2)C(C)C)cc1 23768515 QQRMAQXIPFAJBH-QGZVFWFLSA-N 299.418 3.671 0 40 CHAB Cc1ccc(NC(=O)CCc2ccc(C)o2)c(C)c1 2708049 WVMPTVJIVIRQQN-UHFFFAOYSA-N 257.333 3.776 0 40 CHAB CCc1cccc(C)c1NC(=O)COc1ccc(F)cc1 6152467 CWHCXQKACDVXCV-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB C[C@@H](OCCCNC(=O)Nc1ccccc1)c1ccccc1 14240342 PYKVNUVAKQUFOJ-OAHLLOKOSA-N 298.386 3.976 0 40 CHAB CCN(CC)P(=N)(N(CC)CC)N(CC)CC 5444976 CQVMEGRKMVQFPJ-UHFFFAOYSA-N 262.382 3.537 0 40 CHAB Cc1c(-c2ccccc2)c2ccccc2n1CC(=O)O 4676258 LUFGUZFRTRRCIH-UHFFFAOYSA-N 265.312 3.701 0 40 CHAB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1C 16089639 FSHOBTBSBCCKSQ-UHFFFAOYSA-N 296.775 3.725 0 40 CHAB Cc1ncccc1Oc1cc(C(F)(F)F)ccn1 1888866874 OJBPZQBJHHIYFT-UHFFFAOYSA-N 254.211 3.596 0 40 CHAB CN(Cc1cccc(F)c1)C(=O)c1cccc2cccnc12 7990234 MYCBDGSGAKAOAZ-UHFFFAOYSA-N 294.329 3.646 0 40 CHAB CC[C@@H]1C[C@H]2CCN1[C@@H]([C@@H](O)c1ccnc3ccccc13)C2 17185305 YGSPYMMGHMAUNZ-OHHBCXFOSA-N 296.414 3.531 0 40 CHAB CC1(C)C[C@@H](NC(=O)C2CCCC2)c2ccccc2O1 121382957 HPNWGBAGJJMLEM-CQSZACIVSA-N 273.376 3.595 0 40 CHAB O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 33420221 IDLPRXOALCOQDM-UHFFFAOYSA-N 273.675 3.846 0 40 CHAB CC[C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1 2173228 VGNWNCUHBARGKV-CVEARBPZSA-N 251.329 3.801 0 40 CHAB biogenic Cc1ccc(C(=O)NCCSCc2cccs2)cc1 408906258 DOACGVGYLDEUCN-UHFFFAOYSA-N 291.441 3.720 0 40 CHAB Nc1ccc(-c2nc3cc(Cl)cnc3o2)c(Cl)c1 78406895 OOZGPYFUETUKTJ-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)O 37653646 ITEGDFSRLXAEGQ-NSHDSACASA-N 285.181 3.739 0 40 CHAB CCc1ccc(C(=O)Cc2ccc(OC)cc2)cc1 36941853 ULOWKIXWSVFFPG-UHFFFAOYSA-N 254.329 3.683 0 40 CHAB Fc1cccc(-c2nc(-c3ccccc3)no2)c1F 36614362 GRVMOGIZZWFITJ-UHFFFAOYSA-N 258.227 3.682 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1ccc(F)c(Cl)c1 43210040 XPVZQQYACOUZJQ-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB O=C(NCc1ccccc1C(F)(F)F)c1cccc(F)c1 72331475 KFYVWPQWAORNAU-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](O)c1ccccc1 72208697 RQSNYTYIUVNWHZ-HUUCEWRRSA-N 291.391 3.510 0 40 CHAB Cc1cc(C)cc(O[C@@H](Cc2ccc(F)cc2)C(=O)O)c1 225053878 SFMOALHPCOTAQJ-INIZCTEOSA-N 288.318 3.517 0 40 CHAB C[S@@](=O)c1ccc(CNc2ccc(Cl)c(F)c2)cc1 225711991 ZUYXPWZBZFRAGY-LJQANCHMSA-N 297.782 3.829 0 40 CHAB Cc1cc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc(C)c1F 95740348 OUZUYPUPARQAOZ-OLZOCXBDSA-N 278.323 3.516 0 40 CHAB O=C(NCc1ccccc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776008426 DXLYDQOTGHNSRE-IRXDYDNUSA-N 282.387 3.613 0 40 CHAB CC(C)CCCNC(=O)N1CCc2sccc2[C@@H]1C 84718211 SGWOPTIZFIJKJE-LBPRGKRZSA-N 280.437 3.813 0 40 CHAB C=C1c2ccccc2NC(=S)N1Cc1ccccc1 12554650 TXLSBWXGWVRKMV-UHFFFAOYSA-N 266.369 3.870 0 40 CHAB CCCCC(=O)Nc1cnc2[nH]c(CCCC)nc2c1C 13998538 QGQVMBAUUOQVCM-UHFFFAOYSA-N 288.395 3.738 0 40 CHAB COc1ccc(Cl)cc1-c1nc2cc(N)ccc2o1 19507616 NSMWDMNZLMZRSV-UHFFFAOYSA-N 274.707 3.739 0 40 CHAB O=C(/C=C/c1ccccc1)NCCCCc1ccccc1 2729488 POGCSVZYJQGNCG-CCEZHUSRSA-N 279.383 3.839 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)COc1cccc2ccccc12 3386288 JNLQFKLCNNXMJB-YOEHRIQHSA-N 297.398 3.914 0 40 CHAB O=C(O)[C@@H](Cc1cccc2ccccc12)C[C@@H]1CCCO1 6118657 VEJYFDMNWGFBCT-HOTGVXAUSA-N 284.355 3.652 0 40 CHAB in-vitro C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(C)C 3348204 BVVIAPFNMJLRET-LURJTMIESA-N 295.597 3.535 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(Cl)cc1Cl 23555602 IMODMLZRQKPOTO-LAEOZQHASA-N 272.175 3.827 0 40 CHAB CCC(=O)Nc1cc2oc3ccccc3c2cc1OC 3135802 UHJOVHYUVJVDDD-UHFFFAOYSA-N 269.300 3.943 0 40 CHAB O=C(N[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 5124741 VHFBASFFPCKHDU-CWRNSKLLSA-N 257.377 3.775 0 40 CHAB CC(C)N(Cc1ccccc1)C(=O)COc1ccccc1 30496 FAQNMUDDECGDRY-UHFFFAOYSA-N 283.371 3.503 0 40 CHAB CCc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 44475 CHFJKXXELGZHEH-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CCCCOc1ccc(C(=O)Nc2cccc(C)n2)cc1 3107739 SPKPMRLOURXZMT-UHFFFAOYSA-N 284.359 3.821 0 40 CHAB CCCC(=O)Nc1nc2c(C)ccc(Cl)c2s1 4331377 NDEDERCACWOHGW-UHFFFAOYSA-N 268.769 3.997 0 40 CHAB CCCc1nc(CN(Cc2ccccn2)C(C)C)cs1 52218285 VYLCPLKJJHBIHZ-UHFFFAOYSA-N 289.448 3.901 0 40 CHAB FC(F)(F)CN1CCC(c2c[nH]c3ccccc23)CC1 32777292 XEUAXLHVCMFJCO-UHFFFAOYSA-N 282.309 3.910 0 40 CHAB CCCCCNC(=O)c1cc2c(C)cc(C)cc2[nH]1 32853831 NVYAFGIPKQKUTO-UHFFFAOYSA-N 258.365 3.705 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccc(Cl)c2cccnc12 32907138 OTKMLYKJAJGHKC-SECBINFHSA-N 262.740 3.873 0 40 CHAB O=C(CCc1ccco1)N1CCC[C@@H]1c1ccccc1 42010463 REBBIXMORFXFGK-MRXNPFEDSA-N 269.344 3.576 0 40 CHAB O=C(O)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 198442 LUSBYKYLOHVYEC-UHFFFAOYSA-N 298.729 3.891 0 40 CHAB c1ccc(Oc2cccc(CNC[C@@H]3CCCO3)c2)cc1 810263 HIQAVZNLSCKULU-SFHVURJKSA-N 283.371 3.748 0 40 CHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(F)cc1)OCO3 3187072 LUSMTODVJQUKEL-UHFFFAOYSA-N 298.269 3.636 0 40 CHAB CCN(CC)Cc1nc(Cl)c2c(C)c(C)sc2n1 3445989 FLEUSBXGTSLJKH-UHFFFAOYSA-N 283.828 3.803 0 40 CHAB Clc1ccc(-c2[nH]nc3c2CCC3)cc1Cl 4002572 PBRQAUPRVREONC-UHFFFAOYSA-N 253.132 3.872 0 40 CHAB O=C(Nc1ccc2cn[nH]c2c1)c1c(F)cccc1Cl 4864145 HYVUGTUCERQPEQ-UHFFFAOYSA-N 289.697 3.608 0 40 CHAB O[C@H]1c2cc(Cl)cc(Cl)c2O[C@H]2CCCC[C@@H]21 4973162 XPEXSNWCIABHIG-KPXOXKRLSA-N 273.159 3.978 0 40 CHAB OC[C@@H]1CCCN(C2CCCCC2)[C@@H]1c1ccccc1 5775259 OSJBIUWOUITRHG-FUHWJXTLSA-N 273.420 3.765 0 40 CHAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1 5998917 XJWPQJMEHMDIOS-UHFFFAOYSA-N 294.398 3.925 0 40 CHAB Cc1ccc2onc(CC(=O)N[C@H](C)c3ccccc3)c2c1 6839478 QRLBXZNUHMBIOF-CYBMUJFWSA-N 294.354 3.556 0 40 CHAB CC(C)Cc1ccc([C@@H](C)NC(=S)NC2CC2)cc1 7677718 MAUOTLBDXVXLDF-GFCCVEGCSA-N 276.449 3.573 0 40 CHAB CC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 8325398 JGKAVUXXDNWUCM-UHFFFAOYSA-N 293.366 3.950 0 40 CHAB COc1ccccc1C(=O)Nc1ccccc1OCC(C)C 8723098 MYWVLCUBILSGGP-UHFFFAOYSA-N 299.370 3.982 0 40 CHAB CC(=O)Nc1ccc2oc(-c3cccc(C)c3)cc(=O)c2c1 9659944 XMWLLBSGLKYSFT-UHFFFAOYSA-N 293.322 3.727 0 40 CHAB Cc1cccc(CNC(=O)[C@H](C)SCc2ccccc2)c1 10447507 YHGCBOJAWUJZLY-HNNXBMFYSA-N 299.439 3.933 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1ccc(C(C)C)cc1 12602547 LBOTVMHQZIWBEV-UHFFFAOYSA-N 286.375 3.986 0 40 CHAB O=C(CSc1cccc(Cl)c1)NCc1ccccc1 12652800 YLBCGUWCKPFGEF-UHFFFAOYSA-N 291.803 3.749 0 40 CHAB C[C@H]1C[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)CC(C)(C)C1 13138458 RJOWTKXJOABMPB-OUJBWJOFSA-N 292.250 3.901 0 40 CHAB COc1ccc([C@@H]2SCc3nc4ccccc4n32)cc1 13216134 YQNODDHPJUHDFQ-INIZCTEOSA-N 282.368 3.839 0 40 CHAB CC(C)=C1CC[C@]2(C)OC(=O)[C@H](Cc3ccccn3)[C@@]12C 15276108 LABKVGSCWMJBSU-RYQLBKOJSA-N 285.387 3.692 0 40 CHAB CCC(=O)c1c(OC)c2ccccc2c2oc(=O)sc12 16610020 YGGHGSSZEWTGDG-UHFFFAOYSA-N 288.324 3.609 0 40 CHAB CCCCCCC(=O)Nc1cccc(C(=O)O)c1C 20136674 HRKUDKHETNXYFP-UHFFFAOYSA-N 263.337 3.602 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)N(C)C1CCCC1 20454297 STGRWONVZLXBMH-CYBMUJFWSA-N 277.433 3.709 0 40 CHAB Ic1ccccc1NC1CCCC1 20480185 HBLOAVMELLBZKA-UHFFFAOYSA-N 287.144 3.646 0 40 CHAB Cc1ccc(-c2nc(Cl)nn2-c2ccccc2)cc1 22125634 AGWSLSRHLKFWSI-UHFFFAOYSA-N 269.735 3.896 0 40 CHAB C[C@H](NC(=O)c1ccccc1)c1ccc(-n2cccc2)cc1 28303870 HYCXLMFXYFWOSX-HNNXBMFYSA-N 290.366 3.968 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2ccc(C)cc2O)cc1 31277197 PYKADAHWNZRRRZ-UHFFFAOYSA-N 298.386 3.799 0 40 CHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccncc3)s2)o1 32726636 BKWIHGOMUARZLF-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB c1ccc(C2(CNc3ncnc4sccc34)CC2)cc1 32871920 QABWQCUGDSSMLV-UHFFFAOYSA-N 281.384 3.835 0 40 CHAB Clc1ccc2nc(NCc3ccncc3)sc2c1 36657584 MPFGVUAGIHXVKK-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB O=C(O)c1cnc(-c2ccccc2C(F)(F)F)s1 37343337 FORQZODQNCOHEC-UHFFFAOYSA-N 273.235 3.527 0 40 CHAB CCCSc1nnc(COc2cc(C)ccc2C)o1 40159282 HQJPYAGZURSFDM-UHFFFAOYSA-N 278.377 3.768 0 40 CHAB CC(C)c1ccc(O[C@@H]2CCCNC2)c(Cl)c1 42775007 UZDIUJBBMINLGU-GFCCVEGCSA-N 253.773 3.594 0 40 CHAB CNC(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 48299703 VZUCCUMEXYNVSD-GOSISDBHSA-N 294.398 3.824 0 40 CHAB COc1ccc2cccc(NC(=O)c3cc(C)cs3)c2n1 49027973 YEUVXUVIHQAWCK-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB CC(=O)NC1CCN([C@H](C)c2ccc3ccccc3c2)CC1 50989802 XGMHKXTUSQAWBB-CQSZACIVSA-N 296.414 3.501 0 40 CHAB Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2ccccn2)c1 55514618 NTHDNQHJWJIRHN-QGZVFWFLSA-N 280.371 3.676 0 40 CHAB COCCn1cc(C(=O)Nc2ccccc2)c2ccccc21 57419010 RQKWMTXKIUEWRR-UHFFFAOYSA-N 294.354 3.540 0 40 CHAB CCOC(=O)c1c(Br)sc2c1CCCC2 59703738 KRHUTJDRKGFWQD-UHFFFAOYSA-N 289.194 3.566 0 40 CHAB C(=C/c1ccc(CN2CCCC2)cn1)\c1ccccc1 65397105 NQEBIAVQVDOIOK-CSKARUKUSA-N 264.372 3.848 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)COc2ccccc2C)c(C)c1 65720113 QVXBDVXJVMQBGX-MRXNPFEDSA-N 297.398 3.809 0 40 CHAB O=C(CSCc1cccc(F)c1F)NC1CCCCC1 69350491 RMNTWROQROUBPR-UHFFFAOYSA-N 299.386 3.647 0 40 CHAB CCC[C@@H](C)C(=O)N(Cc1cccnc1)Cc1ccco1 71835422 LMHWORLCKINOMQ-CQSZACIVSA-N 286.375 3.640 0 40 CHAB CCc1cc(Cl)c(OC)c(C(=O)N2CCCC[C@@H]2C)c1 72206569 QSUALJMJDFEAGO-NSHDSACASA-N 295.810 3.926 0 40 CHAB N[C@@H](c1ccccc1)c1ccc(Oc2ccccc2)nc1 72225187 NQBAWANDOBTONJ-SFHVURJKSA-N 276.339 3.922 0 40 CHAB CC(C)[C@H]1CC(O)=Nc2c1cnn2Cc1cccs1 72404462 CIWGGNKCBFWZOI-LLVKDONJSA-N 275.377 3.724 0 40 CHAB CCCCOc1cc(C(=O)C(F)(F)F)ccc1OC 95732813 GGSBYPFZXAYIIU-UHFFFAOYSA-N 276.254 3.619 0 40 CHAB COc1cccc(F)c1C(=O)c1ccc(Cl)c(F)c1 95916256 RISHRYFDIWUDOY-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB CCn1nccc1CNc1cccc(Oc2ccccn2)c1 97235420 QBYHIPYJHVKDLU-UHFFFAOYSA-N 294.358 3.702 0 40 CHAB O=C(C1CCCC1)N1CCS[C@H](c2cccs2)CC1 219472452 PGXOLXHDEWBMKA-AWEZNQCLSA-N 295.473 3.945 0 40 CHAB CC[C@H](C(=O)O)N1c2cc(C)ccc2C(C)=CC1(C)C 223196357 QIPOJBQSRUKJKF-CQSZACIVSA-N 273.376 3.860 0 40 CHAB CCC(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 223410474 KWUHCVGYFNHXFZ-ZDUSSCGKSA-N 261.365 3.595 0 40 CHAB CCNCc1cc(C)n([C@@H](C)c2ccccc2)c1C 223677325 WAOPHDNTBPDYLM-AWEZNQCLSA-N 256.393 3.824 0 40 CHAB CCc1ccccc1C[C@@H](Oc1ccccc1C)C(=O)O 225039260 ZNALXFUXRBUSNH-QGZVFWFLSA-N 284.355 3.632 0 40 CHAB C[C@H]1CCC[C@H](C)N1c1ccc(N)cc1Br 226316384 KSZBCYNMUUEHKE-UWVGGRQHSA-N 283.213 3.799 0 40 CHAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccccc1F)OC2(C)C 257262178 LKLHEAJRPVTCET-KNYNKSNXSA-N 278.367 3.699 0 40 CHAB CCN1c2cc(OC)c(C(=O)O)cc2[C@H](C)CC1(C)C 260726704 ZMRIBOYXHDZBJK-SNVBAGLBSA-N 277.364 3.506 0 40 CHAB CSc1ccc(-c2cc(Cl)cnc2N)cc1 309233423 ZEQXVYSGHBHGAO-UHFFFAOYSA-N 250.754 3.706 0 40 CHAB CC(C)(C)OC(=O)c1ccc(-c2nnc(C(F)F)o2)cc1 1536221925 ZGKJEZCNKRPHGL-UHFFFAOYSA-N 296.273 3.630 0 40 CHAB COc1ccc(NC(=O)c2nc3ccccc3s2)cc1 131116 AMWCIUSDQZXUTB-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB CC(=O)CSc1nc(C)nc2sc3c(c12)CCCC3 351581 QDRAMDLOVKVVHS-UHFFFAOYSA-N 292.429 3.560 0 40 CHAB CSc1ccc(C(=S)N2CCCCC2)cc1 573473 CWXPWNCTCBETCC-UHFFFAOYSA-N 251.420 3.570 0 40 CHAB CCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 1561499 OLKOZWXNZMOYKX-GJZGRUSLSA-N 298.423 3.617 0 40 CHAB CC(=O)Nc1ccc(-c2ccc(C(C)=O)cc2)cc1 1688883 XQDPODXWUFQCTE-UHFFFAOYSA-N 253.301 3.515 0 40 CHAB CCN(CC)C(=O)O[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 1690872 IAXGAHCTCBLTDE-YWPYICTPSA-N 253.386 3.680 0 40 CHAB CC[C@@H](C(=O)OCCNC1CCCCC1)c1ccccc1 1710519 LQECUGGXALPWSL-QGZVFWFLSA-N 289.419 3.646 0 40 CHAB CCC[C@@H]1C[C@H](C)C(=O)N(c2ccccc2Cl)C1=O 1876876 KYLXXYQOAAEJPB-WDEREUQCSA-N 279.767 3.656 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccc(OC)c(OC)c1 2741687 KUIUXGMVTJBCSQ-ZDUSSCGKSA-N 293.407 3.650 0 40 CHAB C[C@H]1C[C@@H]1C(=O)OCc1ccc(Cl)cc1Cl 3259539 HHVOGRFDSJSCMB-XVKPBYJWSA-N 259.132 3.693 0 40 CHAB COc1cc2c(cc1OCc1ccccc1)[C@H](C)N(C)CC2 3847232 MNDZGPSZJCVZEO-AWEZNQCLSA-N 297.398 3.823 0 40 CHAB biogenic CCCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)no1 3908961 MCFMBTYDABVHHD-UHFFFAOYSA-N 298.264 3.898 0 40 CHAB CCOC(=O)/C(=C/c1ccccc1)c1nc2ccccc2[nH]1 5013192 QKBUQPKNLKIARZ-WYMLVPIESA-N 292.338 3.667 0 40 CHAB CCc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)o1 5032647 KXHAUXWURKAKPU-ZHACJKMWSA-N 255.317 3.802 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=S)N(C)Cc1ccccc1F 7662514 XXIROAZEFJGYER-SWLSCSKDSA-N 294.439 3.711 0 40 CHAB CC(=O)c1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 8793865 CRJHBMYNOOJQEN-UHFFFAOYSA-N 294.310 3.591 0 40 CHAB CC(C)CCN1C(=O)c2ccccc2[C@H]1OC(C)C 8959122 BZLUELIOTFGHFS-MRXNPFEDSA-N 261.365 3.612 0 40 CHAB CSc1nc2c(c(Nc3ccc(C(C)=O)cc3)n1)CCC2 11907826 HQOGYAZRFBKOMI-UHFFFAOYSA-N 299.399 3.633 0 40 CHAB c1ccc2nc(SCc3cn4ccccc4n3)cnc2c1 12600384 CRJDRZBONPAGSR-UHFFFAOYSA-N 292.367 3.570 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)c1ccc2c(c1)CCC2 12978973 RLEZQHIIGPYKER-UHFFFAOYSA-N 273.282 3.706 0 40 CHAB CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 20049126 VWOFUVLBSUJFBN-KRWDZBQOSA-N 299.370 3.585 0 40 CHAB C[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 22197653 CQAZTFFHPNQMJB-NSHDSACASA-N 298.789 3.540 0 40 CHAB C[C@@H](NC(=O)c1ccnc(Cl)c1)c1ccccc1Cl 25385623 KTOQWQZXWNQBHM-SECBINFHSA-N 295.169 3.879 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)c2cccc(C)n2)cc1 27165684 QTWCNCYHFNIWCO-GFCCVEGCSA-N 286.400 3.603 0 40 CHAB CCC(=O)n1c(-c2nc3ccccc3o2)nc2ccccc21 28115693 DYOYOHDNSVILIK-UHFFFAOYSA-N 291.310 3.895 0 40 CHAB COc1ccc2c(c1)O[C@@H](C)C1=C2CC[C@@]2(C)C(=O)CC=C12 32099746 DBDQZTGTJUICAZ-JEOXALJRSA-N 296.366 3.929 0 40 CHAB CCCc1cc(C(=O)Nc2ccc(C)cn2)sc1C 32721962 JBUKBCOBUXWTOO-UHFFFAOYSA-N 274.389 3.965 0 40 CHAB Oc1ccc(-c2noc(-c3ccccc3Cl)n2)cc1 34938099 FJBHLZFZUJUNII-UHFFFAOYSA-N 272.691 3.763 0 40 CHAB Fc1c(F)c(F)c(-c2nc3ccccc3[nH]2)c(F)c1F 35216984 CLMXSSVAIYFUGK-UHFFFAOYSA-N 284.187 3.925 0 40 CHAB Cc1ccccc1N/C=C1\SC(=O)N(CC(C)C)C1=O 36636220 ZZEGCRUPZDUSJT-JYRVWZFOSA-N 290.388 3.600 0 40 CHAB Cc1nc(COc2ccccc2Br)oc1C 37909485 YTAGPKIRUJAJGU-UHFFFAOYSA-N 282.137 3.633 0 40 CHAB CSc1ncccc1C(=O)N1CCCCc2ccccc21 40133938 IWIXMAWPVBDYJV-UHFFFAOYSA-N 298.411 3.787 0 40 CHAB CC(C)[C@H](C)NC(=O)COc1cc(Cl)ccc1Cl 40159016 NZABWVLZSCBVDD-VIFPVBQESA-N 290.190 3.533 0 40 CHAB Cn1ccc2cc(C(=O)Nc3c(F)cccc3F)ccc21 40266473 TZVOUUAQCWPDOO-UHFFFAOYSA-N 286.281 3.709 0 40 CHAB CC[C@@H](C)c1cc(Cl)ccc1O[C@H]1CCCNC1 42775391 GHPIVTYDLTZREQ-YPMHNXCESA-N 267.800 3.984 0 40 CHAB Cc1ccc(NC(=O)C=C2CCCC2)c2cccnc12 58161218 QQIZDGYDDZDYIA-UHFFFAOYSA-N 266.344 3.982 0 40 CHAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1nc(C(C)C)cs1 69516010 NLWMQKHCUHAYPC-MRVPVSSYSA-N 293.392 3.614 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(OC(C)C)nc1 72211904 PXBCMBPYZHHYEH-OAHLLOKOSA-N 262.397 3.806 0 40 CHAB CCCCNc1ccc([C@H]2CCCN2CCC)cn1 72213660 UAKJSCXNTOCCEC-OAHLLOKOSA-N 261.413 3.841 0 40 CHAB O=C(NCc1cccc2ccccc12)C1CCCC1 74376543 FUMMXMSERNASHI-UHFFFAOYSA-N 253.345 3.646 0 40 CHAB O=C(N[C@@H](c1nccs1)C1CC1)N1CCCCCCC1 74708038 BKBRRHJSFHQIGA-CYBMUJFWSA-N 293.436 3.570 0 40 CHAB Cc1cc(OCC(=O)N2CC(C)(C)C2(C)C)ccc1Cl 75092119 UGSMWYGRTQIXEB-UHFFFAOYSA-N 295.810 3.674 0 40 CHAB O=C(c1sccc1Br)C1CCCC1 87568706 WHBLNPYVVMKXKD-UHFFFAOYSA-N 259.168 3.884 0 40 CHAB CC[C@H](NC(=O)C1=C(Cl)CCC1)c1ccc(OC)cc1 89947822 ZDBQBALQQDOEPQ-HNNXBMFYSA-N 293.794 3.939 0 40 CHAB CCOC(=O)n1cc(Br)c2cccc(C)c21 90471299 HYBXWXSTGDLURK-UHFFFAOYSA-N 282.137 3.717 0 40 CHAB CC[C@H](C)Oc1cc(Br)cc(F)c1F 95915377 RHFGNEUJWFEJHW-LURJTMIESA-N 265.097 3.905 0 40 CHAB Cc1noc(-c2ccccc2)c1C(=O)N(C)CC1CCC1 96012000 ZJMHSNSWRNDYBN-UHFFFAOYSA-N 284.359 3.522 0 40 CHAB COC(C)(C)C[C@H](C)N[C@@H](C)c1cn(C(C)(C)C)nc1C 96478581 DOJVUYFSPSVFFG-STQMWFEESA-N 295.471 3.801 0 40 CHAB O=C(Cc1ccccc1C(F)(F)F)OCc1ccoc1 97001517 KDCAJGMSALLFNO-UHFFFAOYSA-N 284.233 3.584 0 40 CHAB CO/C=C(/F)C(=O)Nc1ccccc1-c1ccccc1 98175039 YJSJCRNSMUXDHY-SDNWHVSQSA-N 271.291 3.749 0 40 CHAB O=C(Nc1ccc(Cl)cc1)C1[C@H]2[C@@H]3CC[C@H](C3)[C@@H]12 100755781 PVCPOUAXDFRYDJ-XUEIOPPISA-N 261.752 3.571 0 40 CHAB C/C(=C\c1csc(-c2ccccn2)n1)c1cnccn1 180381069 VITPXQKHRGBDFL-DHZHZOJOSA-N 280.356 3.556 0 40 CHAB CCOC(=O)c1ccc(C(C)(C)C)nc1-c1ccccn1 199568042 CYGNMGWZEKDZPO-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Cc1c(Cl)cccc1-c1ccc(CCC(=O)O)o1 216923158 PDJCICKCISPSSS-UHFFFAOYSA-N 264.708 3.926 0 40 CHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCCN2)n1 257198181 VIZIJJRTANUBII-ZDUSSCGKSA-N 287.338 3.531 0 40 CHAB CN(C)CCCOc1cccc(F)c1Oc1ccccc1 585266169 DVJYLHBVWDJWHD-UHFFFAOYSA-N 289.350 3.949 0 40 CHAB O=C(CCc1ccccc1)N1CC[C@H](c2ccccc2)C1 174413 QSZCVRNMEHYXHX-SFHVURJKSA-N 279.383 3.635 0 40 CHAB CC[C@H](C)c1ccc(O)c(NC(=O)c2cccnc2)c1 206272 LSGODVLTGNBJHP-NSHDSACASA-N 270.332 3.553 0 40 CHAB c1cc2sc1CSCCSCCSC2 389720 GFFSEQUFOHFBGI-UHFFFAOYSA-N 262.490 3.961 0 40 CHAB COc1cccc(=O)c2c(C)n(-c3ccc(C)cc3)c(C)c12 488335 RVBNYTVOSZMBIB-UHFFFAOYSA-N 293.366 3.925 0 40 CHAB biogenic Cc1cc(OC(=O)Cc2ccccc2)ccc1Cl 572777 NORDSLORQVYCBO-UHFFFAOYSA-N 260.720 3.797 0 40 CHAB O=C1S/C(=C\c2ccco2)C(=O)N1c1ccccc1 1236462 IJQZJOIIFFCFFF-XFXZXTDPSA-N 271.297 3.521 0 40 CHAB O=C1C[C@H](c2ccccc2)[C@@H](c2ccccc2)CO1 1557244 CZSLBTQCKZWPSN-HZPDHXFCSA-N 252.313 3.501 0 40 CHAB Cc1ccc2ccccc2c1S(=O)(=O)c1ccccc1 1595599 OBWBLEUQVCVYAA-UHFFFAOYSA-N 282.364 3.981 0 40 CHAB Cc1cc(N2CCCCC2)cc(C)[n+]1Cc1ccccc1 1685134 UDLAFTDPTNPXBV-UHFFFAOYSA-N 281.423 3.630 0 40 CHAB COc1cccc(C(=O)c2cccc(CN3CCCC3)c2)c1 2515050 VKFFBLGDEOIYOM-UHFFFAOYSA-N 295.382 3.522 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2ccccc2C)c1OC 3481635 LYIDCBMRDBYXOK-VAWYXSNFSA-N 297.354 3.664 0 40 CHAB Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)CCC3)c1 3494345 BRDTYGUWVQJHPO-UHFFFAOYSA-N 295.382 3.810 0 40 CHAB Cc1ccc(-n2c(S)nnc2-c2ccc(F)cc2)cc1 4184757 MYUUGTKXLGVPMV-UHFFFAOYSA-N 285.347 3.671 0 40 CHAB Oc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2O 4934410 OFUZRNFKGNCOGU-CYBMUJFWSA-N 267.111 3.761 0 40 CHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 5121379 YIEZWMBEYJPCRZ-UHFFFAOYSA-N 293.363 3.750 0 40 CHAB CC[C@@H]1CCC2=Nc3ccccc3[C@H](C(=O)O)[C@@H]2C1 5663831 RUOLINNBZYUUEU-HCKVZZMMSA-N 257.333 3.767 0 40 CHAB CCOP(=O)(OCC)[C@](C)(O)c1ccc(C)c(C)c1 5953337 JFIDMJUGUGBJTJ-AWEZNQCLSA-N 286.308 3.735 0 40 CHAB COc1ccc(CN(C)C(=O)c2cc3ccccc3o2)cc1 6267872 HENJLWDZBOXIKH-UHFFFAOYSA-N 295.338 3.714 0 40 CHAB Cc1ccc(-c2cn3nc(C4CC4)sc3n2)c(C)c1 7995013 NQZJETSUJBORMI-UHFFFAOYSA-N 269.373 3.952 0 40 CHAB COc1ccc(C)cc1CC(=O)Nc1cc(C)ccc1C 8060201 IISOEKTUDIRQKG-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB O=C(Nc1onc2c1CCCC2)c1cc2ccccc2o1 8976687 PYUDRFVUEWFTFY-UHFFFAOYSA-N 282.299 3.552 0 40 CHAB Cc1ccc(OCCCC(=O)N2CCc3ccccc32)cc1 14397567 XSRWARYAVNGJCC-UHFFFAOYSA-N 295.382 3.743 0 40 CHAB CC1=C(C)C[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2C1 18141361 APLUXIOEUVUFLR-HOTGVXAUSA-N 283.371 3.539 0 40 CHAB COc1cccc([C@H]2SCC(=O)N2C2CCCCC2)c1 19927448 UXGNDEIWHDCSIE-MRXNPFEDSA-N 291.416 3.602 0 40 CHAB COc1ccccc1-c1ccnc2nc3ccccc3n12 20635301 XOCUHRASSHNINU-UHFFFAOYSA-N 275.311 3.558 0 40 CHAB CCn1c([C@H](C)N2CCCCCC2)nc2ccccc21 21175851 KKCGBHHBOSZEGW-AWEZNQCLSA-N 271.408 3.993 0 40 CHAB CCCn1nc(C)cc1NC(=O)Nc1ccccc1C 32610423 BKVBCSLZWPVQCS-UHFFFAOYSA-N 272.352 3.554 0 40 CHAB Clc1cc(Br)ccc1NC1CCOCC1 36304637 BZUBYSVMUUUCFZ-UHFFFAOYSA-N 290.588 3.693 0 40 CHAB COc1ccc([C@@H](NCC2CC2)c2ccccc2)cc1 36961302 JWZLBXNZCVKEAH-SFHVURJKSA-N 267.372 3.784 0 40 CHAB Cc1ccccc1C(=O)N(C)Cc1ccc(Cl)cc1 38752301 XIYQYFORCSASDK-UHFFFAOYSA-N 273.763 3.921 0 40 CHAB CCOC(=O)c1ccc(-c2cncc3ccccc23)o1 45028409 JFBSBPLDOBRMKN-UHFFFAOYSA-N 267.284 3.672 0 40 CHAB CCOC(=O)c1cc(Cl)c(Br)c(Cl)c1 45919827 SOOYUBZPASBJLN-UHFFFAOYSA-N 297.963 3.933 0 40 CHAB C[C@H]1CCCN(c2nnc(Cl)c3ccccc23)C1 50529046 UJULMRPICBATFV-JTQLQIEISA-N 261.756 3.520 0 40 CHAB COc1cc(CN(C)CCC(C)C)ccc1SC 60212936 XLYCONSPXCFWGK-UHFFFAOYSA-N 267.438 3.895 0 40 CHAB COc1nc(C(=O)NC2CCCCCC2)cc2ccccc12 65552475 CEPIHNOJQWJKEX-UHFFFAOYSA-N 298.386 3.696 0 40 CHAB CC(C)(C)OC(=O)N1CC[C@@H](Sc2ccc(F)cc2)C1 79439709 AUGONQZUUQXPDK-CYBMUJFWSA-N 297.395 3.927 0 40 CHAB CCc1cnc(NC(=O)c2ccccc2OC(C)C)s1 81228914 QDUUXBZTKPLWSW-UHFFFAOYSA-N 290.388 3.745 0 40 CHAB Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NC2CC2)cc1 84148725 UTWKJICKIWLHKW-CZUORRHYSA-N 272.392 3.640 0 40 CHAB Cc1cc(C[C@H](C)N[C@H](C)c2cc3ccccc3o2)n[nH]1 90532042 KEFRMYALNWOVLA-WCQYABFASA-N 283.375 3.746 0 40 CHAB Cc1ccc2cccc(C(=O)Nc3ccc(O)cc3C)c2n1 95431729 MBPVXSBZGVPVIY-UHFFFAOYSA-N 292.338 3.810 0 40 CHAB Brc1ccc(-n2ccc3cccnc32)cc1 95910934 XNSOMQRWWIHHGW-UHFFFAOYSA-N 273.133 3.788 0 40 CHAB C[C@H]1OCC[C@@H]1NC(=O)N(c1ccccc1)c1ccccc1 96007783 MVHGFORHZBXIJX-PBHICJAKSA-N 296.370 3.712 0 40 CHAB COC(=O)c1sc(SC)c(Cl)c1OC(F)F 96510991 YXCOIIWGNJXDHF-UHFFFAOYSA-N 288.724 3.511 0 40 CHAB C[C@H](Nc1cccc(Cn2cccn2)c1)c1cncc(F)c1 97037340 CXVDMPWHXNBVMG-ZDUSSCGKSA-N 296.349 3.639 0 40 CHAB Cc1cc(C(=O)N[C@@H](C)C2CN([C@@H](C)c3ncccn3)C2)n[nH]1 97374071 GIXBMROYNNZPTR-FZMZJTMJSA-N 314.393 1.319 0 40 CHAB C1=C[C@H]2C[C@H]1C[C@H]2CN1CCCC[C@@H]1c1cccnc1 101176938 ZBMNRSHEJUKESZ-UOVPBQLFSA-N 268.404 3.821 0 40 CHAB COC(=O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@@]13C 103978320 ZARSCFPHBAVOKJ-IPNGBCKKSA-N 250.382 3.648 0 40 CHAB CC[C@@H]1CCC[C@@H](N[C@H](CC(=O)OC)c2cccs2)C1 108081443 ODYLXWLXXMGZFM-MGPQQGTHSA-N 295.448 3.911 0 40 CHAB Cc1ccc2c(c1)N([C@@H](C)C(=O)O)C(C)(C)C[C@@H]2C 223191128 QDOZJVYTZZCBJI-RYUDHWBXSA-N 261.365 3.560 0 40 CHAB Cc1cc(C)c(C)c(O[C@H](Cc2ccccc2)C(=O)O)c1 225014196 AJPOCFHIUNFQTM-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CCN(CCNC(=O)c1cc(C)ccc1C)c1ccccc1 225053804 PAUMHRHBONXKFM-UHFFFAOYSA-N 296.414 3.560 0 40 CHAB Cc1ccc(-c2noc(-c3ccccc3Cl)n2)cc1N 225174619 YKZOYLYDJORCNT-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB Cc1ccccc1NC(=O)c1cc2cccc(C)c2oc1=O 226034375 PKPIDTUBDUNZOE-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB S=C(Nc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 254343789 ZNJGUXPWGCZBSS-OUJBWJOFSA-N 280.824 3.815 0 40 CHAB CC(C)(C)OC(=O)N1CC(c2ccc(Cl)cc2)C1 307656078 PMHPTXJQUBESIW-UHFFFAOYSA-N 267.756 3.674 0 40 CHAB CCc1cc(Nc2ccc(NC(C)=O)cc2)nc(C2CC2)n1 1888881930 SWGSIRBQVCSZNA-UHFFFAOYSA-N 296.374 3.618 0 40 CHAB CCN(CC)CCNc1c(C)cnc2cc(Cl)ccc12 1712667 SBBMENYDDCDCRR-UHFFFAOYSA-N 291.826 3.950 0 40 CHAB C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cc2ccccc2o1 97017285 PAGPGXUBBRAEQD-UVIMBBFXSA-N 293.366 3.742 0 40 CHAB Cc1cccc(NC(=S)NCc2ccccc2F)c1 6335200 GOZGAAJAQNLKAJ-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB CCCCCCNCc1cccc(OC)c1OCC 7261075 NKRRGYNMSUCXLS-UHFFFAOYSA-N 265.397 3.764 0 40 CHAB CC[C@@H]1CCC[C@@H](N[C@H](C)C(C)(C)CN(C)C)C1 108394956 BLKAIVWFSBZCFP-RBSFLKMASA-N 254.462 3.521 0 40 CHAB Cc1ccc(NC(=O)CCc2ccccc2F)cc1 8267722 HOTUOFQXKYDGIA-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB Cc1cc(CN(C)C)cc(N[C@H](C)c2ccncc2)c1 97038872 PLFMPQLKSISHJS-CQSZACIVSA-N 269.392 3.625 0 40 CHAB CCC(=O)NCCC(c1ccccc1)c1ccccc1 1466475 DLRSENFIULXRGP-UHFFFAOYSA-N 267.372 3.735 0 40 CHAB O[C@@H](Cc1nc2ccccc2n1C(F)F)c1cccs1 12541336 HANGFVPJJFQQHA-NSHDSACASA-N 294.326 3.769 0 40 CHAB O=C(Nc1ccc(Cl)cn1)c1cc(Cl)ccc1F 26088789 PLBSPSAWGRTAEB-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB COc1ccc(C)cc1NC(=O)Cc1cc(C)ccc1C 22518751 GNWRLRQSDNKARY-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1)C2 12618106 WTMOOJWEPSAJBC-OAHLLOKOSA-N 269.369 3.651 0 40 CHAB Oc1cccc(CN(c2ncnc3ccsc23)C2CC2)c1 48301939 FGHXTOWGDDVVTI-UHFFFAOYSA-N 297.383 3.566 0 40 CHAB CCOC(=O)Nc1ccc(Nc2ccccc2)cc1 2748365 WTKHWQSXMAKJQH-UHFFFAOYSA-N 256.305 3.999 0 40 CHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)cc2C)c1 14185832 APQJZHKEBGOLPG-UHFFFAOYSA-N 297.354 3.651 0 40 CHAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nccs1 14129189 MGCATVKWPWDEGZ-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB COc1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 15934490 ZILFIDDOGLJYLE-KRWDZBQOSA-N 296.370 3.894 0 40 CHAB COc1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1 16976635 IZAJRNCGGRELRJ-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(C)n2)c1 17023478 RGHFIFOHZWQJOQ-UHFFFAOYSA-N 294.354 3.771 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H]2CCCC[C@H]21 69874274 FVIHFDUAXKRQIE-BLLLJJGKSA-N 268.360 3.573 0 40 CHAB CCOc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1 28304319 QEDOCPVJBDQQEA-UHFFFAOYSA-N 299.374 3.649 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1F 37975994 SPLXHXYIMUIINO-UHFFFAOYSA-N 283.755 3.813 0 40 CHAB CC[C@@H](O)c1cnc(Sc2ccccc2)c(C)c1 72222147 QKOUJSSCPUUIOP-CQSZACIVSA-N 259.374 3.985 0 40 CHAB COc1cccc(NC(=O)C2[C@H]3CC/C=C/CC[C@H]23)c1 31904629 WDAXOBKVWURYGP-TZARZLCXSA-N 271.360 3.626 0 40 CHAB C[C@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)N1C 31302436 UYHFNMAZLZQLFT-IAOVAPTHSA-N 253.345 3.777 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)N(C)C1CCCCC1 30752505 PBJUCIOEJNCTPT-ZDUSSCGKSA-N 277.433 3.958 0 40 CHAB CCCNC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 43467613 ILASRHZKRFCYFY-QGZVFWFLSA-N 282.387 3.794 0 40 CHAB CC1(C)COc2cc(NCc3ccc4nc[nH]c4c3)ccc21 527745435 QPTBIHHLBBANDR-UHFFFAOYSA-N 293.370 3.845 0 40 CHAB CCc1nc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)no1 69620467 PWKKHWRZTIRBIV-HNNXBMFYSA-N 291.370 3.648 0 40 CHAB CC(C)CC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 40071844 IBDDAWQOYSRFFI-JTQLQIEISA-N 273.298 3.929 0 40 CHAB COc1c(F)cc2sc(C(=O)O)c(Cl)c2c1F 228967547 KSMVWOQCTMZSSP-UHFFFAOYSA-N 278.663 3.540 0 40 CHAB CCOCc1cccc(Br)c1Br 231268889 PEWVDYZIRNAIBZ-UHFFFAOYSA-N 293.986 3.748 0 40 CHAB COc1cc(C)c(C(=O)Cc2ccccc2)cc1C 83187704 SGAYKEPYHSTTMS-UHFFFAOYSA-N 254.329 3.737 0 40 CHAB Cc1cccc(C(=O)N2CCC(=Cc3ccccc3)CC2)n1 98018712 SOBYHPQCDWIPGK-UHFFFAOYSA-N 292.382 3.710 0 40 CHAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)cc1F 254698941 JUUNWPZYETWKBU-DCAQKATOSA-N 280.318 3.523 0 40 CHAB Cc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc1 257257243 KORZUHCGNVBBMC-SRQBIAJPSA-N 274.404 3.868 0 40 CHAB c1cc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)c2cc[nH]c2c1 544944082 OKMQBWYDRKVGQY-OLZOCXBDSA-N 265.316 3.731 0 40 CHAB CC(C)c1noc2ncc(-c3nnc([C@H]4C[C@H]4C)o3)cc12 72274992 WDHNQSJUAKVMCP-SCZZXKLOSA-N 284.319 3.520 0 40 CHAB CC1(C)Cc2ccccc2CN1C(=O)c1ccccc1 178885 HLCLNRYRYQSYAE-UHFFFAOYSA-N 265.356 3.664 0 40 CHAB Cc1cc(C)c(C(=O)N2CCC3(CC2)CC3(F)F)c(C)c1 650600284 ZIUMQECAUOKQKR-UHFFFAOYSA-N 293.357 3.873 0 40 CHAB Cc1cc(C[C@@H]2CCC[C@H]2NCC2CCCCC2)on1 19120506 RLMQEBMRGCVOEQ-DOTOQJQBSA-N 276.424 3.864 0 40 CHAB CCCCCC(=O)Nc1cccc(NC(=O)C(C)C)c1 5860020 QANFAMNKYJPTPU-UHFFFAOYSA-N 276.380 3.800 0 40 CHAB CP(=O)(NC1CCCCC1)NC1CCCCC1 5515238 SPWOOVUZHNSJHE-UHFFFAOYSA-N 258.346 3.654 0 40 CHAB CO[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccc(Cl)s1 225703805 LDSHXPSYFIGDML-QWRGUYRKSA-N 299.823 3.562 0 40 CHAB CCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226352640 HLCOJAAODHIBBG-UHFFFAOYSA-N 293.706 3.647 0 40 CHAB Cc1cc(NC(=O)C2CCCC2)ccc1Br 1017154 YRYPMXRNHDFIGY-UHFFFAOYSA-N 282.181 3.886 0 40 CHAB C[C@@H]1CCCCN1CCCNc1nc2ccccc2o1 12897993 MNDSDSAQOXOCPO-CYBMUJFWSA-N 273.380 3.504 0 40 CHAB O=C(Nc1ccc2sncc2c1)c1cc(F)ccc1F 188226872 UHKUVQUZWXJMRL-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB O=C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl 37629234 JSKSUAMGBCLUOG-UHFFFAOYSA-N 257.931 3.893 0 40 CHAB Cc1ccc(NC(=O)N(Cc2cccn2C)C2CC2)cc1C 35278374 MQQPMVPCMFLVSN-UHFFFAOYSA-N 297.402 3.838 0 40 CHAB CC(C)Cc1ccc([C@H](C)NC(=O)C2CCC2)cc1 40159561 RLHNWLLVEAGHOO-ZDUSSCGKSA-N 259.393 3.862 0 40 CHAB CCC(=O)Nc1ccc(C)c(NC(=O)c2ccsc2)c1 40111935 FWPJALGTSGMRJE-UHFFFAOYSA-N 288.372 3.657 0 40 CHAB Cc1ccccc1-c1nnc2n1N=C(C(C)(C)C)CS2 528016 NSCJARKDWHRWKW-UHFFFAOYSA-N 286.404 3.609 0 40 CHAB OCCN1c2ccccc2Sc2ccc(Cl)cc21 1638844 FROIENHSRFXVDC-UHFFFAOYSA-N 277.776 3.935 0 40 CHAB COc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 1682794 ZZNOYVWCHPNEKV-UHFFFAOYSA-N 258.708 3.892 0 40 CHAB CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1N 2521237 DIXRCLQTPWTGBC-SNVBAGLBSA-N 275.373 3.659 0 40 CHAB CCc1c(C(=O)N[C@@H](C)c2ccncc2)csc1C 2749582 OPZJXVZEEMLFJJ-JTQLQIEISA-N 274.389 3.505 0 40 CHAB CCc1cccc(NC(=O)c2ccc(Cl)nc2)c1 3473245 MCUBJAFTQJYAIB-UHFFFAOYSA-N 260.724 3.550 0 40 CHAB CC(/C=C1\N=C(c2ccccc2)OC1=O)=C\c1ccccc1 4644708 UVKZWZBCYDRXJB-PZAFVPBJSA-N 289.334 3.977 0 40 CHAB C[C@H]1C(=O)C(c2ccccc2)(c2ccccc2)C[C@@H](C)N1C 4692427 MTMBEFUBDMHEMV-CVEARBPZSA-N 293.410 3.654 0 40 CHAB Cc1ccc2[nH]c(CNC(=O)c3ccccc3F)cc2c1 4985777 GJGAPMZGCZTHMU-UHFFFAOYSA-N 282.318 3.545 0 40 CHAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1CC1 5001104 SWNAXWCIHANVRV-UHFFFAOYSA-N 292.791 3.736 0 40 CHAB S=C1NC2=C(CCCC2)[C@H](c2ccc(Cl)cc2)N1 5570101 TYMISZFTILCCGW-ZDUSSCGKSA-N 278.808 3.687 0 40 CHAB O=C1O/C(=C\Sc2ccccc2)c2ccccc21 5684524 CRISKCQHXGCEEB-UVTDQMKNSA-N 254.310 3.948 0 40 CHAB CC(C)CC(=O)Nc1ccc(CN2CCCCC2)cc1 5817254 DYZVSMAMKSZEAT-UHFFFAOYSA-N 274.408 3.657 0 40 CHAB C[C@@H]1CCc2nc(NC(=O)C3CCCCC3)sc2C1 6455256 QRXIYCSIQOAHLI-SNVBAGLBSA-N 278.421 3.787 0 40 CHAB O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)C1CC1 8188242 YLYOUTJRNMXILF-UHFFFAOYSA-N 278.311 3.843 0 40 CHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)c1ccccc1 11636967 QXKQFVVJBUWOOD-KRWDZBQOSA-N 299.370 3.516 0 40 CHAB CCOc1ccccc1CNc1n[nH]c2nc(C)cc(C)c12 12115901 LUDBOGMYLCCFRS-UHFFFAOYSA-N 296.374 3.586 0 40 CHAB CC(C)CCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 12525612 UFPJBPJMGXEUFW-CQSZACIVSA-N 299.418 3.705 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Oc2ccc(C)c(C)c2)c1C 13141359 YCLIKBXVCLZBFV-UHFFFAOYSA-N 285.343 3.670 0 40 CHAB Cc1ccc(CNC(=S)Nc2cccnc2Cl)cc1 13838498 KPFVYWVGSQFFRH-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2cccs2)s1 19927634 HNXHJNKTKYEMSF-LDYMZIIASA-N 296.442 3.680 0 40 CHAB c1ccc([C@@H](CNCc2ccsc2)N2CCCC2)cc1 20096476 YZWYXQPSHLRYFH-QGZVFWFLSA-N 286.444 3.675 0 40 CHAB O=C(CCc1ccccc1)NCc1nc2ccccc2s1 24977794 MNQAQACDTAUQBX-UHFFFAOYSA-N 296.395 3.545 0 40 CHAB Cc1sc2nc(C(F)(F)F)nc(Cl)c2c1C 32625270 BXMHFOQXVLEVMV-UHFFFAOYSA-N 266.675 3.980 0 40 CHAB COc1ccc([C@H]2CCCN2C(=O)C2CCCC2)cc1 32819529 IGLALDVRNOAPCK-MRXNPFEDSA-N 273.376 3.549 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3ccco3)cc2)oc1C 33571965 RERJYGHJICWWNO-UHFFFAOYSA-N 282.299 3.804 0 40 CHAB CCc1c(-c2cc(Cl)ccc2Cl)noc1N 36916540 KSMJFQAGQCVJRJ-UHFFFAOYSA-N 257.120 3.793 0 40 CHAB COC(=O)c1ccc2[nH]c(-c3ccccc3)cc2c1 40880612 QRCCAIGGRLMANJ-UHFFFAOYSA-N 251.285 3.622 0 40 CHAB CC[C@H]1CCCCN1c1ccc(Br)cn1 42376834 ZKNGVUDBVZPNSA-NSHDSACASA-N 269.186 3.613 0 40 CHAB CC(C)(C)c1cc(Cl)ccc1O[C@H]1CCCNC1 42775320 RFNZEIUVQYRMGZ-LBPRGKRZSA-N 267.800 3.768 0 40 CHAB O=C(NC[C@H]1CCCO1)Nc1ccccc1-c1ccccc1 43329090 CBBIWWLFOJAWFN-OAHLLOKOSA-N 296.370 3.654 0 40 CHAB NCCc1ccc(-c2cc(Cl)ccc2Cl)o1 44397683 RNLLUIPKUFIOFT-UHFFFAOYSA-N 256.132 3.755 0 40 CHAB Cc1nc(C)c(C(=O)N(C)[C@H](C)c2ccc(F)cc2)s1 44890193 IODSOIIHUBVOLW-SNVBAGLBSA-N 292.379 3.732 0 40 CHAB Cn1ncc2c1N=C(O)C[C@H]2c1c(Cl)cccc1Cl 49545916 YUZNFNCBVKRFQB-SSDOTTSWSA-N 296.157 3.851 0 40 CHAB CCCOc1ccc(-c2nc3cc(N)ccc3o2)cc1 57326877 GYWZEKAFXDOEAA-UHFFFAOYSA-N 268.316 3.866 0 40 CHAB CC(C)CCNC(=O)COc1ccccc1C(C)(C)C 60913379 NSQQQJRUWDGDHI-UHFFFAOYSA-N 277.408 3.525 0 40 CHAB N[C@@H](c1ccccc1)c1cccc(OC(F)(F)F)c1 61703523 GGUSUPPKEBBKNN-ZDUSSCGKSA-N 267.250 3.633 0 40 CHAB Cc1ccc(C)c(N2N=C(C(=O)O)C[C@@H]2c2ccccc2)c1 71979074 YJIOPZKLLRNTDL-QGZVFWFLSA-N 294.354 3.695 0 40 CHAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1 72211016 RKBJETWHRSIEJI-QGZVFWFLSA-N 296.370 3.945 0 40 CHAB Clc1cnc2c(OCc3ccccc3)cccn12 72319835 FRVRMNWDDJGQTH-UHFFFAOYSA-N 258.708 3.567 0 40 CHAB O=C(NCC1CCCCC1)c1cccc(Cl)c1 82284874 QUVVFLQCSTVFNX-UHFFFAOYSA-N 251.757 3.650 0 40 CHAB CCOc1cc(-c2nc(-c3ccccc3C)n[nH]2)ccc1O 85384649 PJDIIQBMLFWTEB-UHFFFAOYSA-N 295.342 3.551 0 40 CHAB Clc1ncc(Br)c(NC2CCCCC2)n1 85786830 JYOUEBCJBKOBRG-UHFFFAOYSA-N 290.592 3.637 0 40 CHAB C/C(=C\C(=O)N[C@H](c1ccccc1)c1ccncc1)C1CC1 96295957 HUUPFXJLPCKOMJ-JKIKYLSZSA-N 292.382 3.644 0 40 CHAB C[C@@H](CC1CCOCC1)Nc1cccc(-c2nccn2C)c1 97162179 IJDKBXQQMOKZLG-AWEZNQCLSA-N 299.418 3.704 0 40 CHAB C[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(F)c2)o1 97377476 DUBTYBVPTYPING-SMDDNHRTSA-N 289.354 3.544 0 40 CHAB C[C@@H]1[C@@H](CNC[C@H]2[C@@H]3CC[C@H](C3)[C@H]2C)[C@H]2CC[C@@H]1C2 100688886 BYNFXCWZFITGRK-VSOZASSBSA-N 261.453 3.940 0 40 CHAB C[C@H](NCc1csc([C@H]2CCCO2)n1)c1ccccc1 181360221 QYGZJYLBWIKXPZ-SWLSCSKDSA-N 288.416 3.845 0 40 CHAB CC[C@H](C)NC(=O)[C@H](CC)Oc1cccc2ccccc12 216247219 BOJXHHIQIVQAGZ-BBRMVZONSA-N 285.387 3.912 0 40 CHAB COc1cc(OC)cc(C(=O)N(C)c2ccc(C)c(C)c2)c1 222932769 HUWUEGFVIKDDNM-UHFFFAOYSA-N 299.370 3.597 0 40 CHAB CCCN1c2cc(F)c(C(=O)O)cc2C(C)=CC1(C)C 223794532 VDRVGMNLDXYVRU-UHFFFAOYSA-N 277.339 3.936 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225383483 GVJRUANKZIXHBB-GFCCVEGCSA-N 280.437 3.949 0 40 CHAB COC(=O)c1ccc(Nc2cccc3ccccc23)c(N)c1 225421326 SFOMLNGOFQRUSK-UHFFFAOYSA-N 292.338 3.952 0 40 CHAB COc1ccccc1NC(=O)c1cc(C)c(C)cc1C 225639464 GYUQYUBJYJILGK-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB CCC1(NC(=S)Nc2ccc(F)cc2)CCCC1 225851555 TYPGRLHOKOLWHV-UHFFFAOYSA-N 266.385 3.835 0 40 CHAB O=C(c1ccc(Cl)cc1F)C(F)(F)C(F)(F)F 236134464 QRBKZASRCWKSMW-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB COc1ccccc1C(=S)NCc1ccc(Cl)cc1 408573008 KZJKUCTUFVVYJW-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB O=C(COc1ccccc1)c1cccc(OC(F)F)c1 575243102 ZLLMRRJLJAMMJF-UHFFFAOYSA-N 278.254 3.550 0 40 CHAB O=C(CCc1cccc(Cl)c1)N1CCC(F)(F)CC1 684516858 OOQOBWWEDPFQFT-UHFFFAOYSA-N 287.737 3.530 0 40 CHAB FC[C@@H]1CCN(c2nc3ccc(Cl)cc3s2)C1 2086992527 JRUIUQKDKVCVMJ-QMMMGPOBSA-N 270.760 3.746 0 40 CHAB Cc1ccc(Nc2ncnc3c2ncn3C2CC2)c(C)c1 2087045466 UYZFJFCDOHXDHF-UHFFFAOYSA-N 279.347 3.522 0 40 CHAB O=Cc1cncc(-c2ccc(C(F)(F)F)cc2)c1 1444927 YPJWCFBCSVKYHB-UHFFFAOYSA-N 251.207 3.580 0 40 CHAB CCCCCC[C@H](C)NCCOC(=O)c1ccccc1 1710509 WGAQQWPWRYEDCJ-HNNXBMFYSA-N 277.408 3.792 0 40 CHAB CCCCCC(=O)Nc1c(C)ccc(Cl)c1C(=O)OC 79071847 FXPNCVUEPQGJDF-UHFFFAOYSA-N 297.782 3.954 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccccc1F 6409556 XDWHRGRCPUGLTA-GHMZBOCLSA-N 250.317 3.621 0 40 CHAB Cc1ccc(NC(=S)NCCC(C)C)cc1Cl 7570343 CPMOGTNFTWBCQX-UHFFFAOYSA-N 270.829 3.981 0 40 CHAB Cc1nc(CN2CCC[C@@H]2CC(=O)c2ccccc2)oc1C 95965477 QKPMNZZJGHSPTK-MRXNPFEDSA-N 298.386 3.529 0 40 CHAB Fc1ccc(-n2nc(Cl)nc2-c2ccccc2)cc1 22125807 AQUSQZASUCSZGK-UHFFFAOYSA-N 273.698 3.727 0 40 CHAB O=C(Nc1ccc(O)c2ccccc12)c1ccccc1F 9855793 BGWGJKRZHSLLKS-UHFFFAOYSA-N 281.286 3.937 0 40 CHAB Cc1oc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c1C 57531707 JAEUHMHRRDODRK-UHFFFAOYSA-N 296.370 3.659 0 40 CHAB CC1(C)COC(CCCC(=O)c2cccc(F)c2)OC1 2518054 AUAGLVYODZARRK-UHFFFAOYSA-N 280.339 3.578 0 40 CHAB CCN(CC)C(=O)c1ccccc1-c1ccccc1 60510450 QVLDUNRMSVWBFW-UHFFFAOYSA-N 253.345 3.836 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)c(C)c1 13331882 SLFIOOYANZSNRS-ZDUSSCGKSA-N 269.348 3.581 0 40 CHAB CC[C@@H](CNC(=O)CC1CCCC1)c1ccccc1 39976006 RSOLFMSNZNTRSM-HNNXBMFYSA-N 259.393 3.877 0 40 CHAB Cc1csc(NC(=O)/C=C/Sc2ccccc2)n1 14094032 SLCSSSMJFGJKLC-BQYQJAHWSA-N 276.386 3.696 0 40 CHAB Cc1ccc2nc(SC[C@@H]3CCCCO3)[nH]c2c1 6506639 OHPXLGAVCLQUJW-NSHDSACASA-N 262.378 3.533 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](N)CC[C@]34C)[C@@H]1CC[C@@H]2O 118917481 WMEBIWWUBWHAOJ-GCXXXECGSA-N 291.479 3.717 0 40 CHAB O=C(c1cccc(-n2cccc2)c1)N1CCc2ccccc21 6831625 MIPQRIFJSAUAOA-UHFFFAOYSA-N 288.350 3.680 0 40 CHAB Cc1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 7847474 WUZVDCPEVPPAAN-UHFFFAOYSA-N 263.296 3.939 0 40 CHAB CC(C)CCNC(=O)c1csc(-c2ccccc2)n1 17337107 HPLTZACDAFEBMR-UHFFFAOYSA-N 274.389 3.586 0 40 CHAB Oc1ccc(Nc2nc(-c3ccccn3)cs2)cc1 88181 GLAADHPXEHHDBC-UHFFFAOYSA-N 269.329 3.654 0 40 CHAB CC(C)(C)OC(=O)Nc1cnc2c(F)cccc2c1 1535543471 XXGWSUGDGJVFLY-UHFFFAOYSA-N 262.284 3.721 0 40 CHAB Cc1cccnc1NC(=O)c1cc(F)ccc1-n1cccc1 36357337 HRESWDMHFRMTGG-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCC[C@H](C)C1 216388528 ULKBSADSYNNOCV-LSDHHAIUSA-N 289.419 3.836 0 40 CHAB CCOC(=O)c1[nH]c2cc(C)c(N)cc2c1-c1ccccc1 32918926 KTMPAQFGUKVZNF-UHFFFAOYSA-N 294.354 3.902 0 40 CHAB CCCCCCc1ccc(C(=O)CCC(=O)OC)cc1 74418561 IBQBFAAFTSMETI-UHFFFAOYSA-N 276.376 3.945 0 40 CHAB CC(C)(C)Sc1ncccc1[C@@H]1CCCCN1 72217433 OGWDRJSSQBNCOJ-LBPRGKRZSA-N 250.411 3.787 0 40 CHAB O=C(O)[C@@H]1C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 70453153 GZOFCJUFGOWQES-RNFRBKRXSA-N 264.630 3.547 0 40 CHAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)c(C)c1 225940795 MJXOMZSQHCENLB-UHFFFAOYSA-N 295.382 3.982 0 40 CHAB CCOc1c(C)cc(NC(=O)C2(OC)CCCC2)cc1C 225627077 GFPBLFZMNCGUPE-UHFFFAOYSA-N 291.391 3.600 0 40 CHAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(C)n2)cc1 225470865 AIHXLQPBMBYQKC-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB Cc1cc(Br)cnc1NC1CCCCC1 42784000 PTFSWHCADVBGKK-UHFFFAOYSA-N 269.186 3.897 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)N(C)c1ccccc1 44948736 BZVTZBPXTDBTHL-CQSZACIVSA-N 283.371 3.679 0 40 CHAB COP(=O)(OC)C1CC(OCc2cccc(C)c2)C1 96508996 JSLFULGXNKGBPY-UHFFFAOYSA-N 284.292 3.529 0 40 CHAB CC(C)(C)OC(=O)Nc1c(C=O)cccc1C(F)(F)F 95761032 RJIWCTKARLHKJM-UHFFFAOYSA-N 289.253 3.865 0 40 CHAB CC(=O)c1cc(C(F)(F)F)ccc1Br 96373468 GBKOKZGIXQZTPC-UHFFFAOYSA-N 267.044 3.671 0 40 CHAB CN(C)c1ccc(C(=O)c2cccc(Cl)c2)cc1 95916620 XGBZHVPAEOVEJN-UHFFFAOYSA-N 259.736 3.637 0 40 CHAB Fc1ccc(Oc2ncnc3sccc23)c(F)c1 32509613 YCBGWFLYFMBCSG-UHFFFAOYSA-N 264.256 3.762 0 40 CHAB O=C(Nc1ccccc1SC(F)F)N1CCCC1 43552844 QOEXDCXRIYBTRH-UHFFFAOYSA-N 272.320 3.629 0 40 CHAB Cc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100891103 LTTOLPHRVJRDIO-MAUKXSAKSA-N 294.354 3.765 0 40 CHAB Cc1ccc(CNC(=O)c2cc(C)sc2C)cc1 5279395 DBBPIQOLISWTIL-UHFFFAOYSA-N 259.374 3.603 0 40 CHAB Cc1cc(-c2cnc(NC3CC3)nc2-c2ccc(C)o2)on1 12185958 DZDSREBQZRQPDS-UHFFFAOYSA-N 296.330 3.583 0 40 CHAB CN(C)c1ccc([C@@H](O)Cc2ccc3ccccc3n2)cc1 13220437 GKEOQBCCYRZLGE-IBGZPJMESA-N 292.382 3.577 0 40 CHAB N[C@H](c1ccc(Br)cc1)C1CCCC1 19485697 YMKBUDRWAUHOKU-LBPRGKRZSA-N 254.171 3.639 0 40 CHAB COc1ccc(NC(=O)COc2cc(C)cc(C)c2C)cc1 5474506 IEDMROLSXLCBCI-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB CC(C)(C)c1ccc(C(=O)NCCc2ccc(O)cc2)cc1 12019921 RQXWSVANGXLXAF-UHFFFAOYSA-N 297.398 3.662 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1 13391206 LNLKXCAYMXHJPD-UHFFFAOYSA-N 283.327 3.508 0 40 CHAB O=C(OCc1csc(-c2ccccc2)n1)c1ccco1 5855828 SMLSMINMOWDLRH-UHFFFAOYSA-N 285.324 3.760 0 40 CHAB Cc1cc(OCC[C@H]2CCCCN2)ccc1Cl 20221530 BEKPEIQZFXKLLZ-GFCCVEGCSA-N 253.773 3.559 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc(Oc2ncccn2)c1 32027015 AFUQTZITZBNMKD-ZDUSSCGKSA-N 295.342 3.564 0 40 CHAB O=c1c(O)c(-c2ccc(Cl)cc2)oc2ccccc12 284551 KRLBFAOXSDMNIZ-UHFFFAOYSA-N 272.687 3.819 0 40 CHAB CC(=O)c1c(C)cc(C)c(CSc2nccn2C)c1C 21781030 DQNQRMOIBNJZGW-UHFFFAOYSA-N 288.416 3.840 0 40 CHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1O 32719959 ZGRXZQZFKQPOSW-UHFFFAOYSA-N 296.370 3.635 0 40 CHAB Cc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 519256 JJSKGBJFOHYZSU-UHFFFAOYSA-N 294.306 3.540 0 40 CHAB biogenic O=C(O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 12480205 XEECCMDPMRNEHA-UHFFFAOYSA-N 297.141 3.755 0 40 CHAB Cc1ccccc1-c1nnc(N(C)C(=O)CC(C)C)s1 1345248 AFNQHAAYNMPZOC-UHFFFAOYSA-N 289.404 3.522 0 40 CHAB C[C@H](NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C)c1ccccc1 1462968 YRRGAAPZEMLIFP-BKTGTZMESA-N 299.414 3.649 0 40 CHAB CCC(CC)NC(=O)N[C@@H](c1ccccc1)C1CC1 23081129 IPTCDXBOUDTFBN-HNNXBMFYSA-N 260.381 3.626 0 40 CHAB O=c1c2c3c(sc2ncn1-c1ccccc1)CCCCC3 4569120 HXEDTRDNESQEPR-UHFFFAOYSA-N 296.395 3.716 0 40 CHAB CC(C)[C@H](NC(=O)CCc1cccnc1)c1ccccc1 23773039 IUSKBGGFPWNZQT-SFHVURJKSA-N 282.387 3.528 0 40 CHAB Cc1cnc(CN[C@H](C)c2ccc(Cl)s2)o1 97374231 HUIOFRISBMCTEE-MRVPVSSYSA-N 256.758 3.549 0 40 CHAB Cc1ccoc1C(=O)N1CCC[C@@H]1CCc1ccccc1 55486118 KHFDBXDLACXZRB-MRXNPFEDSA-N 283.371 3.825 0 40 CHAB COc1ccccc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 12618728 ZFWKQXHVVWWVON-MRXNPFEDSA-N 299.395 3.659 0 40 CHAB Cc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1 28227308 NLOXQJRMXMHEEO-UHFFFAOYSA-N 273.336 3.925 0 40 CHAB CCC(=O)c1ccc(OCc2ccc3nsnc3c2)cc1 20529184 TZAATHQAYNMUNL-UHFFFAOYSA-N 298.367 3.863 0 40 CHAB Cc1ccc(C(=O)c2ccc(CN3CC=CC3)cc2)cc1 2514881 LUEJZAYEDSYNMB-UHFFFAOYSA-N 277.367 3.598 0 40 CHAB COc1cc2ccccc2cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 12896296 AGNLTKVNPVCFAR-OKILXGFUSA-N 297.398 3.967 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(F)cc2F)s1 48964360 KHOTYJIQZSPWAX-UHFFFAOYSA-N 267.300 3.516 0 40 CHAB CCCOc1ccccc1NC(=O)[C@@H](OC)c1ccccc1 95436646 WOUJSCRQPBDCIE-KRWDZBQOSA-N 299.370 3.802 0 40 CHAB O=C1CC2(CCCC2)CC(=O)N1c1ccc(Cl)cc1 5033177 QPAOCIZUJLGKLT-UHFFFAOYSA-N 277.751 3.554 0 40 CHAB CC[C@H](c1ccc(F)cc1)N1CCC2(CCCN2C)CC1 95459823 MROQFQNRXHEZDW-QGZVFWFLSA-N 290.426 3.837 0 40 CHAB CCOc1ccccc1NC(=S)Nc1ccc(C)cn1 13837579 XHYIZCWKEQCWEL-UHFFFAOYSA-N 287.388 3.598 0 40 CHAB CCNc1ccc(OCCOc2ccccc2)cc1 19738241 HREOIYUKMHQKAT-UHFFFAOYSA-N 257.333 3.576 0 40 CHAB COc1cccc(NC(=S)Nc2ccccc2)c1 5550372 QZSMRTKLSHKPEV-UHFFFAOYSA-N 258.346 3.504 0 40 CHAB CCN1C(=O)[C@@H](Cc2cccc(F)c2)c2ccccc21 15018201 PPXDUEOOTDMGQI-HNNXBMFYSA-N 269.319 3.519 0 40 CHAB Cc1ccc(CN2C(=O)[C@@H](C)CNc3ccccc32)cc1 21793412 WWNMJSJCWRRYPO-AWEZNQCLSA-N 280.371 3.590 0 40 CHAB Cc1csc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)n1 7195984 YEXDGRXUOIDYAT-MVWJERBFSA-N 298.477 3.627 0 40 CHAB Cc1ccc(NC(=S)NN2[C@H](C)CCC[C@H]2C)cc1F 7350352 BHWNVTDNIPCQDO-VXGBXAGGSA-N 295.427 3.598 0 40 CHAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCCC1 15867452 QEPVEKKTYUNYMG-UHFFFAOYSA-N 269.344 3.502 0 40 CHAB CC[C@H](Nc1ncccn1)c1ccc(Br)cc1 67948677 UMDZZPFUZSKTLY-LBPRGKRZSA-N 292.180 3.802 0 40 CHAB CC(=O)c1ccccc1-c1c(C)c2ccccc2[nH]c1=O 67955861 SCOOHVXMPIUROK-UHFFFAOYSA-N 277.323 3.706 0 40 CHAB COc1ccc(OC)c(-c2cc3ccccc3n2C)c1 9668922 LUOQSWBBTZJCEJ-UHFFFAOYSA-N 267.328 3.863 0 40 CHAB C[C@H](O)C[C@@H](CN[C@@H](C)C(C)(C)C)c1ccccc1 95969332 AHRAFDULWVDUBJ-DZKIICNBSA-N 263.425 3.565 0 40 CHAB COC[C@H](N[C@H]1CCCc2ccccc21)c1ccco1 95968859 FRGSBCKQRFRZKG-HOTGVXAUSA-N 271.360 3.634 0 40 CHAB C[C@@H]1CCCCN1c1ccc(N)cc1C(F)(F)F 8701201 XONMNUVUZOEONL-SECBINFHSA-N 258.287 3.666 0 40 CHAB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1nc2ccccc2o1 75128700 VNRABBJOWLNZGV-AWEZNQCLSA-N 296.374 3.520 0 40 CHAB CC[C@@H](Cc1ccc(C)cc1)N(C)c1ncnc2[nH]ccc12 89943644 GAYNOWGMXWZAQY-HNNXBMFYSA-N 294.402 3.724 0 40 CHAB Cc1ccoc1C(=O)OCc1nc2ccccc2s1 21668176 YDHCTXQCZQCFSI-UHFFFAOYSA-N 273.313 3.555 0 40 CHAB CC[C@H](C)N1C(=O)S/C(=C/c2cccc(F)c2)C1=O 409010304 BXHOEYPRSISSMB-KWINOFQJSA-N 279.336 3.661 0 40 CHAB Cc1ccc2nccc(Nc3ccccc3C(=O)O)c2c1 78401416 RGXNBIRBQPBPBY-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB Cc1c(C)c(Br)c(Br)c(C)c1O 39644452 QIHIFMDVYGTLPN-UHFFFAOYSA-N 293.986 3.842 0 40 CHAB Cc1nc(N2CCCc3ccccc32)ccc1[C@@H](C)O 72224958 FRQNNBRWQWXFIX-CYBMUJFWSA-N 268.360 3.528 0 40 CHAB C[C@@H](c1ccccc1F)[S@](=O)Cc1ccccc1F 78556011 DNIVAAJVHYLDPB-WLRWDXFRSA-N 280.339 3.975 0 40 CHAB CC(C)CN1CCC[C@H]1c1cccnc1N1CCCCC1 72216106 ZUVOQWPMFPTQOJ-KRWDZBQOSA-N 287.451 3.865 0 40 CHAB Cc1ccc(C(=O)NCC2CCCCC2)c(Cl)c1 225004889 WRICBJCNMZHOMR-UHFFFAOYSA-N 265.784 3.959 0 40 CHAB O=C(CCc1ccsc1)Nc1cccc(OC(F)F)c1 48234735 VQMIMZMNNVVHKH-UHFFFAOYSA-N 297.326 3.921 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Cc2ccccc2F)cc1 43741460 AGSMDGAPRUQFBI-CYBMUJFWSA-N 271.335 3.554 0 40 CHAB CCCOC1(C(=O)Nc2ccc(OC)cc2)CCCCC1 225656300 FWHYRLJAYOVATL-UHFFFAOYSA-N 291.391 3.763 0 40 CHAB Cc1ccc(CCCNC(=O)CCc2ccccc2F)cc1 223928869 HYFTYXDLYVIFBB-UHFFFAOYSA-N 299.389 3.816 0 40 CHAB Cc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1Cl 226274283 SYWWGIYDSMOBHA-NSHDSACASA-N 289.762 3.954 0 40 CHAB COC(=O)CN1c2ccc(Cl)cc2C(C)=CC1(C)C 223187149 SEPNWRBGLKMLQB-UHFFFAOYSA-N 279.767 3.515 0 40 CHAB Brc1nn(Cc2ccccc2)c2ccccc12 98181464 DHBHSJONHUNOBH-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB FC(F)(F)c1nc(Br)ccc1Cl 95761943 XLIIXISXSYYYSZ-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB COc1ccc2cc([C@H](C)S[C@H](C)C(N)=O)ccc2c1 96435658 KFSHXPIFCJRFQQ-WDEREUQCSA-N 289.400 3.516 0 40 CHAB O=C(CSCc1ccccc1Cl)N1CCCCC1 247742972 OUSZMEFVBMNPNT-UHFFFAOYSA-N 283.824 3.586 0 40 CHAB CSc1cccc(C(=O)c2c(F)cccc2F)c1 95917189 OTHMOBTYVUZPCS-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB COc1ccccc1C(=O)c1cc(Cl)ccc1C 95916585 JBVKFUDRORBRNT-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB CCCOc1ccccc1NC(=O)OCC(F)(F)F 58061262 KWTQHVWHWAVXNQ-UHFFFAOYSA-N 277.242 3.586 0 40 CHAB Cc1ccc(CN(Cc2sccc2C)C[C@@H](C)O)s1 13991515 GZLALKNPGIAFGK-GFCCVEGCSA-N 295.473 3.809 0 40 CHAB COc1ccc(OC)c(NCc2ccc3[nH]ccc3c2)c1 15424229 IVYZODLXCZSYJP-UHFFFAOYSA-N 282.343 3.797 0 40 CHAB Cc1cc(-c2noc(-c3ccc(Cl)cc3)n2)ccc1N 164967746 ZPAZRKBVPJTMSB-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB Cc1ccc(OCCCSc2ncccn2)cc1C 2191208 RAJZBBOFQGODLL-UHFFFAOYSA-N 274.389 3.655 0 40 CHAB CCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 3301513 NFIOTKOYKCCVTQ-UHFFFAOYSA-N 273.307 3.785 0 40 CHAB O=C(NC1CCCCC1)c1cc(Cl)nc2ccccc12 3156748 UTBBKCQKBPBMAX-UHFFFAOYSA-N 288.778 3.951 0 40 CHAB CCC(CC)(CC(=O)Nc1ccc(SC)cc1)C(=O)O 10169052 ABGPGSVVCYLBRG-UHFFFAOYSA-N 295.404 3.628 0 40 CHAB COc1cccc2c3c(cnc12)C(=O)Nc1ccccc1N3 4708255 HFQFWHYQOCXLLW-UHFFFAOYSA-N 291.310 3.553 0 40 CHAB CCOC(=O)CCCC(=O)c1csc2ccccc12 575362317 GAXDFSFKCFDPHI-UHFFFAOYSA-N 276.357 3.817 0 40 CHAB Cc1ccc2c(c1)[C@@]1(C)[C@H](C(C)(C)N2C=O)C1(Cl)Cl 2357018 SSDADYGJWYQFQE-JSGCOSHPSA-N 298.213 3.811 0 40 CHAB CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)no1 508316 NJACVYBXPNTJIB-UHFFFAOYSA-N 286.114 3.825 0 40 CHAB O=Cc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 20357646 ZLTRNOGUEBNJRG-UHFFFAOYSA-N 267.206 3.705 0 40 CHAB Oc1ccc(CCN[C@H]2CCCCc3ccccc32)cc1 40735189 XEWOPIGJQTVFRY-IBGZPJMESA-N 281.399 3.992 0 40 CHAB S=C(NCCC1=CCCCC1)N[C@H]1C[C@H]2CC[C@H]1C2 102266961 YAYHICSFBCRGRJ-KKUMJFAQSA-N 278.465 3.530 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)N[C@H](C)CCc1ccccc1 32862684 AIKXPJVPZKTPHM-UXLLHSPISA-N 288.435 3.886 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(F)c(F)c1)C2 103110277 HEVVFWBQIISWPV-KHIZAZIESA-N 293.357 3.909 0 40 CHAB Cn1c(Cl)cnc1-c1cc(=O)c2cc(Cl)ccc2o1 407283 HGOWYWNAWSGFMH-UHFFFAOYSA-N 295.125 3.500 0 40 CHAB O=C1S/C(=C\c2ccccc2)C(=O)N1c1ccc(O)cc1 1235759 NEKHRBBCOOSMTD-UVTDQMKNSA-N 297.335 3.633 0 40 CHAB CCOc1cccc(NNc2ccccc2OCC)c1 1700509 BELNFCRMKAYDCI-UHFFFAOYSA-N 272.348 3.923 0 40 CHAB O=C(Nc1nc2c(ccc3ccccc32)s1)C1CC1 3264873 ZDMXMTLKCGGYNQ-UHFFFAOYSA-N 268.341 3.798 0 40 CHAB C[C@H]1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1 3339807 APIRRWANGJCETR-JTQLQIEISA-N 286.202 3.908 0 40 CHAB COc1cccc(NC(=O)CSCc2ccccc2)c1 3601963 QLZFFRVJWKNQOS-UHFFFAOYSA-N 287.384 3.567 0 40 CHAB C[C@@H]1CSC(Nc2cccc(C(F)(F)F)c2)=N1 4262874 KTRPOKUCUNGELK-SSDOTTSWSA-N 260.284 3.609 0 40 CHAB O=C(O)CC[C@@H]1CCCCCCCCCCC1=O 4276923 ZWJHEHCSBAMCBQ-ZDUSSCGKSA-N 254.370 3.951 0 40 CHAB c1ccc(COc2cccc(CN3CCCC3)c2)cc1 4690749 YESRSHHQZJLXKE-UHFFFAOYSA-N 267.372 3.861 0 40 CHAB COc1ccc2nccc(/C=C\c3ccccc3N)c2c1 4707016 IMIWFRVZBPKXSV-SREVYHEPSA-N 276.339 3.996 0 40 CHAB CCOc1ccccc1-c1oc2ccccc2c(=O)c1O 5548954 DWLKSDOACKOBKK-UHFFFAOYSA-N 282.295 3.564 0 40 CHAB Cc1[nH]c2ccc(C(=O)NCc3ccc(F)cc3)cc2c1C 6719873 OPJQBWRKJBKMLA-UHFFFAOYSA-N 296.345 3.854 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 6788214 NMJNBKGCRDZDGL-JSGCOSHPSA-N 268.360 3.543 0 40 CHAB Cc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2)cc1 7601153 ADCNIOAVINYGSS-UHFFFAOYSA-N 296.399 3.660 0 40 CHAB C[C@@H](OC(=O)Cc1noc2ccccc12)c1ccccc1 7865369 AHRKAWRRMVGOLY-GFCCVEGCSA-N 281.311 3.675 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)cc1C 8041445 NINQCNCVMDXOKT-HNNXBMFYSA-N 291.435 3.868 0 40 CHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)C2 8612980 DVMAUGGKVWJBDV-PEJOBZMASA-N 272.388 3.609 0 40 CHAB Cc1ccc(C)c(NC(=S)Nc2cccc(C)n2)c1 8656695 JLTBBNPIUIUIMO-UHFFFAOYSA-N 271.389 3.816 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)C1(c2ccccc2)CC1 8988054 UGVYIKWAMBZKKJ-UHFFFAOYSA-N 295.426 3.803 0 40 CHAB CCC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 9064390 CBDZWZHEFPPYNX-UHFFFAOYSA-N 280.799 3.925 0 40 CHAB CCN(CC)C(=O)CCc1ccc(C(C)(C)C)cc1 10313799 SSGHYQFEHIZUBX-UHFFFAOYSA-N 261.409 3.785 0 40 CHAB CC(C)CCNC(=O)C1(c2cccs2)CCCC1 12157463 YMZAYNMHXXTNKR-UHFFFAOYSA-N 265.422 3.722 0 40 CHAB O=C(N/C=C/n1cnc2ccccc21)c1ccc(Cl)cc1 12603540 TUCXEHBRLRZWOW-MDZDMXLPSA-N 297.745 3.548 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 12619691 JDWPMGXZOANHGM-INIZCTEOSA-N 283.396 3.959 0 40 CHAB COc1ccc(C)cc1NC(=O)c1cccc2cccnc12 12918780 INYVWWAVPWIPGU-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB C[C@H]1CN(C(=S)c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 13547723 PXNPBQRQIGVEIB-BETUJISGSA-N 291.460 3.769 0 40 CHAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccnc1 13709088 SDJQMEDITAVYHX-ZDUSSCGKSA-N 292.338 3.641 0 40 CHAB Nc1cccc(NC(=O)c2cccc3ccccc23)c1 19407007 PJKSJIHWBULPLQ-UHFFFAOYSA-N 262.312 3.674 0 40 CHAB COCCOc1ccc(NCCc2ccccc2C)cc1 19738279 INTOYRSGMPPMRV-UHFFFAOYSA-N 285.387 3.675 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 22523399 VFQMNQCKDNZYRR-HUUCEWRRSA-N 277.408 3.766 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC=CCC1 32678872 VTFCHNAGCRQQNO-SNVBAGLBSA-N 269.797 3.716 0 40 CHAB CCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1C 32753778 XLZMFBDPPYWPTO-XYPWUTKMSA-N 299.414 3.743 0 40 CHAB CNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 32841521 CILWZJQITIAJEU-UHFFFAOYSA-N 295.260 3.857 0 40 CHAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)C=C[C@@H]12 39024016 KAECVEVIXKMEOP-ZSXDVEMLSA-N 284.399 3.688 0 40 CHAB COc1ccc(-c2cnc(CN3CCC[C@H](C)C3)o2)cc1 41362704 IKLSHRACBSYAMG-ZDUSSCGKSA-N 286.375 3.582 0 40 CHAB CSc1ccccc1NC(=O)N1CCCCCC1 43319612 YOFDQDKHXJGZDK-UHFFFAOYSA-N 264.394 3.816 0 40 CHAB CCOC(Cc1c(C)c(C)cc(C)c1C)OCC 43503350 LZCDVSDAJZZFIR-UHFFFAOYSA-N 250.382 3.862 0 40 CHAB C[C@@H](NC(=O)NCc1ccoc1)c1ccc(Cl)s1 44970090 FIQQLLLNIMEYPS-MRVPVSSYSA-N 284.768 3.555 0 40 CHAB CC(C)[C@H](NC(=O)Nc1ccccn1)c1cccs1 45123730 CAJPHCLSJJMEPA-ZDUSSCGKSA-N 275.377 3.662 0 40 CHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(F)cc1 45950629 FBDXDBFDPGBBBL-WFASDCNBSA-N 294.370 3.543 0 40 CHAB Cc1ccc(CNCc2csc(C3CC3)n2)cc1 69877636 UONQXGSAQKTGPW-UHFFFAOYSA-N 258.390 3.619 0 40 CHAB FC(F)(F)CNc1nnc(SC2CCCC2)s1 72067782 MFVZVXAECUKYEZ-UHFFFAOYSA-N 283.344 3.547 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccccn1 72210971 WWWLTEYQTLVRCC-INIZCTEOSA-N 282.343 3.555 0 40 CHAB CN1CCCC[C@@H]1c1cccnc1N1CCCCCC1 72216716 NFNINGTYYYOWGT-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB CCCN1CCCC[C@H]1c1ccc(Cl)nc1C 72217919 LHNPETNSBCQQIC-ZDUSSCGKSA-N 252.789 3.980 0 40 CHAB Cc1cccc2[nH]c(COC(=O)C3CCCC3)cc12 72314146 APIVILVKUFQRHN-UHFFFAOYSA-N 257.333 3.710 0 40 CHAB CC[C@@H]1CNCc2cc3cccc(C(C)C)c3nc2O1 72392285 WGHLVBCHXHMVNK-CQSZACIVSA-N 270.376 3.619 0 40 CHAB Cc1cc(-n2cnnc2)cc2nc(-c3cccc(F)c3)oc12 73639452 CNWAXVDSMDUAAM-UHFFFAOYSA-N 294.289 3.523 0 40 CHAB Cc1c([C@@H](C)NC(=O)CCOC(C)C)oc2ccccc12 79358533 NDYFSKXLXVPLQL-CYBMUJFWSA-N 289.375 3.734 0 40 CHAB COc1cccc(F)c1C(=O)c1ccc(C)cc1C 88079925 RNGPFFXCHSIHBR-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB Cc1cccc(Cl)c1NC(=O)CCC(F)(F)F 89688798 OPEDUTJYRZLRNT-UHFFFAOYSA-N 265.662 3.929 0 40 CHAB Cc1cc(C)c(CNCC(C)(C)CCCO)cc1C 95459067 ZMQBCXBQBZHDNG-UHFFFAOYSA-N 263.425 3.500 0 40 CHAB Cc1ccc(Cl)cc1C(=O)[C@@H]1CCCC[C@@H]1C(=O)O 95634138 UDOCBAOKJVJBDB-NEPJUHHUSA-N 280.751 3.722 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)C[C@@H]2COC(=O)c1ccc(N)cc1 100363070 YVLDLIKDVQTDRK-DDUZABMNSA-N 287.403 3.888 0 40 CHAB Cc1cc(C)c(C(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1C 102225964 YBPHOJKAQGJZLA-YQQAZPJKSA-N 298.382 3.550 0 40 CHAB Cc1cccc(CNC(=O)c2conc2-c2ccccc2)c1 225869556 XTHRCOIDLTWJCT-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB Cc1cccc2c1N([C@H](C)C(=O)O)C(C)(C)C[C@@H]2C 260616312 IKOPQAWXKOTQHL-NWDGAFQWSA-N 261.365 3.560 0 40 CHAB Cc1cc(NC(=S)NCc2ccccc2)ccc1F 408588880 ZVUBKVIVWLBIPO-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB Cc1nc2cc(C(=O)NCc3ccccc3)ccc2s1 408979501 REKFIHUOVGCTLY-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB Cc1ccccc1CCC(=O)N1CCC2(CC1)CC2(F)F 650603918 HHXBIUQILWCTEP-UHFFFAOYSA-N 293.357 3.575 0 40 CHAB O[C@](CNc1nc2ccccc2o1)(c1ccccc1)C1CC1 1775971129 WITQNUFHDTUDQS-GOSISDBHSA-N 294.354 3.538 0 40 CHAB Cc1ccc(C(=O)Oc2cccc3cccnc23)cc1 112519 COXGDTKKNZMLJW-UHFFFAOYSA-N 263.296 3.762 0 40 CHAB Cc1ccc(NC(=S)Nc2ncccc2C)cc1 371563 HHRDQMQRJFICRE-UHFFFAOYSA-N 257.362 3.507 0 40 CHAB Cc1cccc2[nH]c3c(N4CCC(C)CC4)ncnc3c12 538298 BRFQLOKZOZEGMQ-UHFFFAOYSA-N 280.375 3.656 0 40 CHAB CC1(C)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 2042559 SDDSWVKALZPTPR-HNNXBMFYSA-N 251.329 3.801 0 40 CHAB Cc1ccc(OCCn2cnc(Cl)c2Cl)cc1 2221527 MAIUROUKGUOFLR-UHFFFAOYSA-N 271.147 3.577 0 40 CHAB Cc1cc(C)cc(NC(=O)Cc2c[nH]c3ccccc23)c1 2623158 BZWIUPIQUVZEJH-UHFFFAOYSA-N 278.355 3.966 0 40 CHAB Cc1ccc(C2=NN[C@@H](c3cccc(F)c3)S2)cc1 3644732 OMVYXQCHRMYOEY-OAHLLOKOSA-N 272.348 3.831 0 40 CHAB COC(=O)C[C@]1(C)O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21 4027586 WNVJVFWHEQPCPV-JKQORVJESA-N 278.392 3.624 0 40 CHAB Cc1c2c(nn1-c1nc(-c3ccc(F)cc3)cs1)CCC2 5274972 IEWQUFYXJLIGRX-UHFFFAOYSA-N 299.374 3.932 0 40 CHAB Cc1ccc(-c2cc(NC(=O)c3cccs3)on2)cc1 5484280 GXDANWOODPSVHM-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB CCNc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 6602654 GZZDZQDJSJAWGF-UHFFFAOYSA-N 296.399 3.674 0 40 CHAB CCCCCNCc1ccc(OCC)c(OCC)c1 7261294 VUBJJZZNHTXCTA-UHFFFAOYSA-N 265.397 3.764 0 40 CHAB CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccco1 7885451 LLJBMTPTYUQXTJ-IAQYHMDHSA-N 270.332 3.645 0 40 CHAB COc1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1 8960591 DSKBJGQBLQXRCK-UHFFFAOYSA-N 297.310 3.702 0 40 CHAB O=C(Nc1cccnc1)c1cc2cc(Cl)ccc2o1 9061129 AZSGLZUVPVBAGX-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB CCCCc1c(C)nc2nc(C3CCCCC3)nn2c1O 9167905 KDRHYCQQDBDAJM-UHFFFAOYSA-N 288.395 3.529 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9503231 FKASBOJEBLZWFT-DGFSRKRXSA-N 289.375 3.749 0 40 CHAB Cc1ccc(Cc2cnc(NC(=O)C3CCC3)s2)cc1 9882867 NHLCLFGAHJUMFK-UHFFFAOYSA-N 286.400 3.781 0 40 CHAB Cc1ccc(CCC(=O)NCCCc2ccccc2)cc1 10110317 CMHUENVDEWLNMP-UHFFFAOYSA-N 281.399 3.677 0 40 CHAB Cc1cc2n(n1)[C@@H](c1ccccc1)Nc1ccccc1-2 13132416 UOPUWDHABWQXES-KRWDZBQOSA-N 261.328 3.831 0 40 CHAB C[C@@H]1CCCN(C(=O)Nc2ccccc2Br)C1 13746086 USOVBCTVNSBDEG-SNVBAGLBSA-N 297.196 3.713 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(OC(F)F)c1 14903366 VINJMIKVPYFQOX-GXFFZTMASA-N 283.318 3.597 0 40 CHAB CCNC(=O)Nc1ccc(C(F)(F)F)cc1Cl 16681705 NQKOVZBUWFQPIQ-UHFFFAOYSA-N 266.650 3.500 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC1CCCCC1 20107800 CIBMITCDJZHPAF-CQSZACIVSA-N 295.810 3.946 0 40 CHAB COc1cc2ccccc2cc1C(=O)N1CCCCCC1 20110876 UFNZVGKJUCTUJW-UHFFFAOYSA-N 283.371 3.865 0 40 CHAB Cc1cc(C)cc(NC(=O)c2ccc(F)c(F)c2)c1 22564810 QJSLFZXANGRUBF-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB O=C(CC1CCCCC1)Nc1nc(C2CC2)cs1 25558493 KNTURKIGCKQXND-UHFFFAOYSA-N 264.394 3.929 0 40 CHAB Cc1occc1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28220993 GUPSXIKYDHDKKY-CYBMUJFWSA-N 294.354 3.870 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)[nH]n2)c1 28262448 OJAFWPSMYOJVPT-UHFFFAOYSA-N 281.315 3.539 0 40 CHAB COc1c(Cl)cccc1NC(=O)c1ccccc1F 30954800 QBFYKKXPUDVMHS-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB CCc1ccc(NC(=O)[C@H](C)n2cnc3ccccc32)cc1 31814802 TZFPLVKTJSXWIH-ZDUSSCGKSA-N 293.370 3.798 0 40 CHAB COc1ccc(C(C)=O)cc1COc1ccccc1F 34979105 QFMPAKDPUUTIKX-UHFFFAOYSA-N 274.291 3.616 0 40 CHAB COc1cccc(COC(=O)c2c[nH]c3ccccc23)c1 37111842 ICJCKJLBYCSVMV-UHFFFAOYSA-N 281.311 3.534 0 40 CHAB C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(Cl)s1 40074603 GFHZMNAHFBXZJL-VHSXEESVSA-N 287.812 3.538 0 40 CHAB Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1 40955216 MFUWDBLYKLNULI-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB CC[C@@H](C)Nc1ncnc2ccc(Br)cc12 41470825 IMMOEKUORANPHO-MRVPVSSYSA-N 280.169 3.603 0 40 CHAB CC[C@@H](C)NC(=O)N1CCCCC[C@H]1c1ccncc1 42844212 OFTIHUCMCCWQMJ-HIFRSBDPSA-N 275.396 3.507 0 40 CHAB CCCCS(=O)(=O)N[C@@H](C)c1ccc2ccccc2c1 48903132 FZXGXYDNFORYDK-ZDUSSCGKSA-N 291.416 3.620 0 40 CHAB Cc1cc(N(C)C)ncc1[C@H]1CCCN1Cc1ccccc1 72218670 XKSDZYINVYPGIZ-GOSISDBHSA-N 295.430 3.793 0 40 CHAB CCCCN1CCC[C@H]1c1cnc(N2CCCC2)c(C)c1 72218806 LEVQCMVCSIHQKM-KRWDZBQOSA-N 287.451 3.927 0 40 CHAB CCOC(=O)c1ccc(Oc2ccc(F)cc2)cc1 75914571 GRRAHWRSSIZFKC-UHFFFAOYSA-N 260.264 3.795 0 40 CHAB CCOC(=O)c1ccc(CCc2ccccc2)cc1 82048351 NGNHJRTXZFMMKW-UHFFFAOYSA-N 254.329 3.649 0 40 CHAB O=C(Nc1c(F)cccc1F)Nc1c(F)cccc1F 82238025 YEUPZXJPSMLKCV-UHFFFAOYSA-N 284.212 3.887 0 40 CHAB CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cccc(F)c1 89669274 IXDYOPGZRDPWBF-GOSISDBHSA-N 296.345 3.832 0 40 CHAB CCc1oc(C(=O)N(C2CC2)[C@@H](C)c2cccnc2)cc1C 95415111 MAWIQVNOLSSXHP-ZDUSSCGKSA-N 298.386 3.911 0 40 CHAB CC[C@@H](C)CNc1ccccc1CN(CC)C(C)=O 95419361 HPZMZTQMQDNUNF-CYBMUJFWSA-N 262.397 3.513 0 40 CHAB CC(C)CN(C)c1ccc(Br)cc1F 95915697 HJFPXYVMSIJOPE-UHFFFAOYSA-N 260.150 3.680 0 40 CHAB C[C@H](CSC(C)(C)C)Nc1ccc([S@@](C)=O)cc1 97084586 NWDLSBBGMKCJSN-ZMZPIMSZSA-N 285.478 3.756 0 40 CHAB O=S(=O)(C1=C[C@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2)c1ccccc1 104292888 GAWUOEBTRWCIMM-BHPKHCPMSA-N 298.407 3.720 0 40 CHAB CC1=C[C@H](C)[C@@H]2CO[C@@H](c3ccc(O)cc3)[C@@H]1[C@@H]2C 105364606 UVEZFZYRAYSXIF-IFWIKBKQSA-N 258.361 3.928 0 40 CHAB CO[C@H](CNC(=O)c1cccs1)c1ccccc1Cl 121969321 VUDXPQHVBPZDAB-GFCCVEGCSA-N 295.791 3.519 0 40 CHAB O=C(C1CCC1)N1CCS[C@H](c2ccccc2F)CC1 219110174 TZOJZYDRBMPPFF-HNNXBMFYSA-N 293.407 3.632 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N2CCc3ccccc32)cc1C 219508933 JNSQCGCTWLETNQ-OAHLLOKOSA-N 295.382 3.660 0 40 CHAB Cc1cccc(CNC(=O)Cc2ccc(Cl)cc2F)c1 223669283 QSZFYHPUDYNPCB-UHFFFAOYSA-N 291.753 3.646 0 40 CHAB Cc1nc(NC(=S)NCc2ccccc2)ccc1Cl 223921661 JWYNBGSKLOYHRL-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB C[C@@H](O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 226272863 XANLKCXHDBOYTG-LLVKDONJSA-N 289.762 3.575 0 40 CHAB Cc1cc(C(N)=O)cc(C)c1OCc1ccccc1Cl 226773404 ZVAYUILDCHYZCZ-UHFFFAOYSA-N 289.762 3.635 0 40 CHAB NC[C@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 1532500605 RVTZXWQEKLGERI-LBPRGKRZSA-N 285.778 3.501 0 40 CHAB O=c1c2ccccc2ncn1-c1c(Cl)cccc1Cl 341541 ANQZAFLNVNGSFZ-UHFFFAOYSA-N 291.137 3.693 0 40 CHAB O=C(Nc1ccc2[nH]c3c(c2c1)CCCC3)c1ccco1 387281 CONWFXWOGDRZKN-UHFFFAOYSA-N 280.327 3.892 0 40 CHAB CC[C@H](C)c1ccc(OCC(=O)NCc2ccccc2)cc1 505755 FWKQYGKHKKMYPX-HNNXBMFYSA-N 297.398 3.895 0 40 CHAB CC(=O)c1ccc(Oc2ncnc3sccc23)cc1 3361254 CVDPZFCYGXBTPB-UHFFFAOYSA-N 270.313 3.686 0 40 CHAB COc1cccc(CC(=O)Nc2ccc(Cl)cc2F)c1 3611950 MHQVAOVELHDHJO-UHFFFAOYSA-N 293.725 3.669 0 40 CHAB CC1(C)O[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2O1 3844380 OGYWZLRKXZWQGH-FOIPXRHGSA-N 278.351 3.798 0 40 CHAB biogenic CCO[C@](F)(C(=O)Nc1cccc(Cl)c1)C(F)(F)F 4141912 CXDXJIGNHVLZTD-SNVBAGLBSA-N 299.651 3.543 0 40 CHAB c1ccc(COc2cccc(CNC[C@@H]3CCCO3)c2)cc1 4700844 IOAMRPKRUAPWOJ-IBGZPJMESA-N 297.398 3.534 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1 5263144 PISVZWWTHRRWFV-LLVKDONJSA-N 297.383 3.682 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CCc1c(C)noc1C 7399023 QCIRNLVRIFSNRR-UHFFFAOYSA-N 292.766 3.825 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)c(C)c1 8041131 FBRPAHAYQGJLKO-OAHLLOKOSA-N 291.435 3.868 0 40 CHAB CCOc1ccc(CNCc2ccccc2)cc1OCC 8324915 XDZKOAFYIOYKPK-UHFFFAOYSA-N 285.387 3.774 0 40 CHAB C[C@@H](NC(=O)c1cccs1)c1cc2ccccc2o1 8849032 RYLDNNNZDFCRRS-SNVBAGLBSA-N 271.341 3.985 0 40 CHAB C[C@@H](NC(=O)CN1CCCCC1)c1cccc2ccccc12 11231999 CAUVGKLXJDNKAV-OAHLLOKOSA-N 296.414 3.503 0 40 CHAB Cc1cc(C)n(-c2cc(Oc3ccc(F)cc3)nc(C)n2)n1 12409196 IKURTPSTLOFDDI-UHFFFAOYSA-N 298.321 3.519 0 40 CHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C(=O)[C@@H](C)CC[C@@H]32)C1 12659606 GOCNYSCJLWRRBG-PUCCSIKASA-N 290.403 3.670 0 40 CHAB O=C(N[C@@H]1CCc2ccccc21)c1c(F)cccc1Cl 13017002 AXKGMGVFNDIWDB-CQSZACIVSA-N 289.737 3.896 0 40 CHAB Cc1cccc(NC(=O)[C@H]2Cc3ccccc3S2)c1C 14206461 XQEOHPXRKMUDSR-MRXNPFEDSA-N 283.396 3.959 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1Cl 16017708 BCJMEACDVDLZMP-LLVKDONJSA-N 291.753 3.899 0 40 CHAB C[C@@]12CCC3=C(CCc4cc(O)ccc43)C1=CCC2=O 16606213 KGXSTJRDEGIHOS-GOSISDBHSA-N 266.340 3.791 0 40 CHAB CC(C)Oc1ccc(/C=C2\SC(=S)N=C2O)cc1 17008163 DCJDQFRWWUATCO-XFFZJAGNSA-N 279.386 3.803 0 40 CHAB in-vitro CC(C)c1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1 19941895 WIEIZYLANQSMMC-UHFFFAOYSA-N 297.280 3.656 0 40 CHAB CN(Cc1ccco1)c1ncnc2c1oc1ccccc12 23745152 OHARUUDRGHJFKU-UHFFFAOYSA-N 279.299 3.605 0 40 CHAB O=C(O)c1c(-c2ccccc2)c[nH]c1-c1ccco1 26897392 SADYHQCWXSCOBJ-UHFFFAOYSA-N 253.257 3.640 0 40 CHAB CC(C)NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 26942031 GFSPTLARCDBFCO-ZZXKWVIFSA-N 291.700 3.897 0 40 CHAB CC[C@H](C)NC(=O)c1sc(Cc2ccccc2)nc1C 28241418 ROGNJDANASOIEO-NSHDSACASA-N 288.416 3.571 0 40 CHAB CN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCc2ccccc21 29209196 WKEMBEDUNLGIKR-INIZCTEOSA-N 287.309 3.724 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC)cc1 30873332 IEQIFNJJNSABEP-ZDUSSCGKSA-N 299.370 3.664 0 40 CHAB COc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1 31091762 HGTDXEYIKRLKRT-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB C[C@@H](NC(=O)NCC1CC1)c1ccc2ccccc2c1 32909475 MJARMSRMVFPRCD-GFCCVEGCSA-N 268.360 3.610 0 40 CHAB C1=CSC(=C2SC3=C(OCCO3)S2)S1 36374270 YBLZPGPLSLJBLR-UHFFFAOYSA-N 262.402 3.718 0 40 CHAB O=C(O)[C@@H](Cc1ccccc1)Cc1ccc(Cl)cc1 37653388 SVVHATPUNLVMIE-AWEZNQCLSA-N 274.747 3.826 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccncc1 40052075 PLCAROSCFWRSEI-GORDUTHDSA-N 272.735 3.695 0 40 CHAB CC[C@@H](C)c1cc(Cl)ccc1OC[C@@H]1CCNC1 42771119 QZAHRHHMKIMSBB-VXGBXAGGSA-N 267.800 3.842 0 40 CHAB CC(C)(C)c1ccc(O[C@H]2CCCNC2)c(Cl)c1 42775352 AKPPASMZZUYYNG-LBPRGKRZSA-N 267.800 3.768 0 40 CHAB CCCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 47464439 YWBKJYTZCJDEQV-JTQLQIEISA-N 271.813 3.737 0 40 CHAB O=C(NC1CCCCC1)N[C@@H]1CCSc2ccccc21 48344260 CYEUUQOBFXBFHF-CQSZACIVSA-N 290.432 3.855 0 40 CHAB CC(C)Oc1ccc(NC(=O)NCc2ccco2)c(F)c1 52268000 RBDCPUIOCVFRAV-UHFFFAOYSA-N 292.310 3.528 0 40 CHAB CCC(=O)c1ccc(OCc2ccccc2)nc1C 72224462 LPDLPFZWZFKKAY-UHFFFAOYSA-N 255.317 3.562 0 40 CHAB c1ccc(-c2ccc(CN[C@@H]3CCN(C4CC4)C3)cc2)cc1 72274601 AUYDXWFPZHBGFD-LJQANCHMSA-N 292.426 3.680 0 40 CHAB C[C@H]1C=CCC(C)(C)[C@H]1C(=O)C[C@@H](C)NCc1ccco1 72334038 HECRTIIJPYRXOR-JJRVBVJISA-N 289.419 3.955 0 40 CHAB Cc1nc(C)c(COC(=O)c2nccc3ccccc23)s1 73291664 GNCMINYRGIJYPP-UHFFFAOYSA-N 298.367 3.665 0 40 CHAB FC(F)CSc1nnc(NC2CCCCC2)s1 78535729 KJJONHKIWHFYQY-UHFFFAOYSA-N 279.381 3.640 0 40 CHAB Nc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12 88466445 MRWHSPQQECKXHX-UHFFFAOYSA-N 280.171 3.855 0 40 CHAB Cc1nnc(N2CCCC[C@H]2CCc2ccccc2)s1 89736468 BEMJVYMAVVNKOK-HNNXBMFYSA-N 287.432 3.838 0 40 CHAB CC(=O)c1cc(Cl)ccc1OCCCn1ccnc1C 95455425 AGCAOALDAYDHTG-UHFFFAOYSA-N 292.766 3.517 0 40 CHAB CC[C@@H]1CC[C@@H](C)N1C(=O)CSc1ccccc1 95458851 PAVMLDKTNJEGCU-CHWSQXEVSA-N 263.406 3.568 0 40 CHAB CC(C)CCOc1cccc(C(=O)C(F)(F)F)c1 95730636 NCRCOZWRBUBVSB-UHFFFAOYSA-N 260.255 3.857 0 40 CHAB CCc1ccccc1C(=O)C(F)(F)C(F)(F)F 95916917 RGSYXATUIUDSAC-UHFFFAOYSA-N 252.182 3.629 0 40 CHAB Nc1ccc(SC(F)(F)F)cc1C(F)(F)F 95918409 KBJVYEZMASSSEZ-UHFFFAOYSA-N 261.190 3.900 0 40 CHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccco1 96232785 SZSHEMZQNNVRHN-CQSZACIVSA-N 280.327 3.568 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CN1CCCCCC1)C2 100720154 SLDMLDVVHRLHBB-DAYGRLMNSA-N 293.451 3.620 0 40 CHAB O=C(Nc1ccccn1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100922955 RQAMBFSAWBKMLZ-CPWXYTRJSA-N 290.794 3.598 0 40 CHAB CCc1cccc(CC)c1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102815772 PUOIBOIGLCLJCT-VBNZEHGJSA-N 269.388 3.962 0 40 CHAB C[C@@H](CC(=O)N[C@@H](C)c1nccs1)c1ccc(F)cc1 105992996 KMJCOXNSOLEJEZ-QWRGUYRKSA-N 292.379 3.653 0 40 CHAB CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCc2ccccc21 107329830 IVBGKUJASUZVAX-GUDXXQAFSA-N 269.388 3.569 0 40 CHAB Cc1ccc(C)c(OCCNC(=O)Nc2ccccc2)c1 223977212 XVNAUULPNNDOBN-UHFFFAOYSA-N 284.359 3.504 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2cc(N)cc(C(F)(F)F)c2)C1 228931110 GQRLSFLSFVWEEN-AOOOYVTPSA-N 272.314 3.770 0 40 CHAB CC(=O)N[C@@H]1C[C@H](c2ccc(C)cc2)O[C@@H]2CCCC[C@@H]12 257342294 ZOAHDKQVPAANPW-BSDSXHPESA-N 287.403 3.520 0 40 CHAB CCOC(=O)CCc1c[nH]c2cc(C(F)(F)F)ccc12 259321387 BCMOZYYYYHOOIE-UHFFFAOYSA-N 285.265 3.682 0 40 CHAB Cc1cccc(C(=O)COc2ccccc2)c1Cl 575242836 KYCUHWXEGBBBNR-UHFFFAOYSA-N 260.720 3.910 0 40 CHAB OCc1cc(C2CC2)nc2c(C(F)(F)F)cccc12 685937019 HFQRKMWMGHCMRQ-UHFFFAOYSA-N 267.250 3.623 0 40 CHAB CCc1[nH]c2c(Br)cccc2c(=O)c1C(C)C 685937975 FINIGGHAINICNJ-UHFFFAOYSA-N 294.192 3.976 0 40 CHAB Cc1cccn2cc(CN3CCCc4ccccc43)nc12 55567 QVAJVTHKKHQRGN-UHFFFAOYSA-N 277.371 3.596 0 40 CHAB Cc1ccc(Cl)c(-c2[nH]c(C=O)nc2Br)c1 1857794818 LNANWVBPBYQJTP-UHFFFAOYSA-N 299.555 3.614 0 40 CHAB COc1cccc(OC)c1C(=O)OC1C[C@@H](C)C[C@H](C)C1 383725 XXFPTSPXHSBOAV-RYUDHWBXSA-N 292.375 3.685 0 40 CHAB O=C(Nc1ccc2c(c1)OCO2)NC1CCCCCCC1 53955148 LLXMOANSVMLHRY-UHFFFAOYSA-N 290.363 3.650 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN[C@@H](C)[C@H](C)CO)o1 77420738 UHFIKTIOBBEJTC-YPMHNXCESA-N 291.366 3.501 0 40 CHAB CCOc1ccc(CNc2nc3ccccc3n2C)cc1 809657 GSYTVWCNCCVVPK-UHFFFAOYSA-N 281.359 3.584 0 40 CHAB COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1 899558 KXXZLMLLYMPYJE-UHFFFAOYSA-N 260.289 3.516 0 40 CHAB endogenous,in-man CCN(CC)CCC[C@H](C)Nc1nncc2ccccc12 1599086 WWBCBSGACMLEBM-AWEZNQCLSA-N 286.423 3.552 0 40 CHAB O=C(CCc1c(O)ccc2ccccc12)NC1CCCCC1 1867118 BUNDEKJSEARTCN-UHFFFAOYSA-N 297.398 3.927 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1cc(-c2cccs2)on1 2602356 KJKMKRVNJOPISC-NSHDSACASA-N 290.388 3.808 0 40 CHAB Cc1cccc(NC(=O)CSCc2ccccc2)c1 3601965 KEXOIQGNOAUVFP-UHFFFAOYSA-N 271.385 3.867 0 40 CHAB CC[C@](C)(NC(=O)c1ccc(C)s1)c1nccs1 72292246 XBJSQCUQQSBYBY-ZDUSSCGKSA-N 280.418 3.568 0 40 CHAB CCc1ccc([C@@H](C)NCc2cccc(O)c2)cc1 34992693 PAUFDTIRFCOIDA-CYBMUJFWSA-N 255.361 3.805 0 40 CHAB CCCCC(=O)Nc1cccc(-c2ccc(CO)o2)c1 20136578 OGKGZURXDUZOKV-UHFFFAOYSA-N 273.332 3.568 0 40 CHAB C[C@H](Nc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@@H]1C 57634873 KOJSKRHKUZSVNW-STQMWFEESA-N 298.361 3.604 0 40 CHAB Cc1ccc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1 45951860 ZWOZCAYKSPKENQ-HOCLYGCPSA-N 290.407 3.712 0 40 CHAB CCCCOc1ccc(C(=O)Nc2cccnc2)cc1 2651374 QKVCWDFBDDFBLW-UHFFFAOYSA-N 270.332 3.513 0 40 CHAB CCCc1cc2c(s1)N[C@@H](c1ccccc1)NC2=O 2737933 BDEFYVRROKNGLB-ZDUSSCGKSA-N 272.373 3.555 0 40 CHAB CC(C)CNC(=O)C(c1ccccc1)c1ccccc1 2765357 FWGSMAHYFLOUCB-UHFFFAOYSA-N 267.372 3.591 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 12919590 CXKDGIHQXYZRLQ-SJKOYZFVSA-N 299.345 3.999 0 40 CHAB Cc1csc(SCc2nc(-c3ccsc3)no2)n1 13009035 ZXCRJQALPRYZOH-UHFFFAOYSA-N 295.414 3.855 0 40 CHAB Cc1ccc(O)c(-c2cc(-c3ccccc3F)[nH]n2)c1 13126310 LJNZETUEEBQTFK-UHFFFAOYSA-N 268.291 3.897 0 40 CHAB CC(C)Cc1ccc([C@@H](C)c2n[nH]c(=S)[nH]2)cc1 96193768 CGOSBPJFRUGXNN-SNVBAGLBSA-N 261.394 3.818 0 40 CHAB O=C(Nc1nc2ccccc2s1)c1ccc(F)c(F)c1 6536752 HKDKUIIJLNYTKK-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB O=C(/C=C/c1cccs1)NC12CC3CC(CC(C3)C1)C2 4614014 DBXCBDKHXOABNQ-ONEGZZNKSA-N 287.428 3.846 0 40 CHAB Cc1cc(C2CCC2)nc(N[C@H](C)c2ncccc2C)n1 71776742 PHLPOQVOMMBFNB-CYBMUJFWSA-N 282.391 3.929 0 40 CHAB Cc1ccccc1N1N[C@]2(C[C@H](C)CC(C)(C)C2)NC1=O 15867861 QWVCOKXBURSPEK-PXAZEXFGSA-N 287.407 3.572 0 40 CHAB Cc1ccc([C@@H](C)NC[C@H](C)c2c(C)noc2C)o1 90727905 QOPZJJRSBOSIGO-GXSJLCMTSA-N 262.353 3.647 0 40 CHAB Cc1c/c(=N\N)oc2cc3c(cc12)CCC1(CCCCC1)O3 9576606 QBTMIMOBLGRJSP-LVZFUZTISA-N 298.386 3.544 0 40 CHAB COc1ccc(CN(C)[C@@H](C)c2cc(F)ccc2F)nc1 95462700 RKAATZIHUULPCQ-NSHDSACASA-N 292.329 3.561 0 40 CHAB CCNC(=O)c1ccc(CSCc2ccccc2)cc1 408782453 ITDPOMJCMDQROX-UHFFFAOYSA-N 285.412 3.870 0 40 CHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccs1 8708277 ZXLXQFWFDVAYJS-UHFFFAOYSA-N 299.317 3.739 0 40 CHAB CCc1cccc(NC(=O)c2noc3c2C[C@H](C)CC3)c1 20213344 UVYSKANMPQFNMA-LLVKDONJSA-N 284.359 3.614 0 40 CHAB CCSc1nc(C)cc(-c2ccc(OC)cc2)n1 409386682 WPYPFZNRSCIQQM-UHFFFAOYSA-N 260.362 3.573 0 40 CHAB OC1=NC(=S)S/C1=C/c1ccc2ncccc2c1 38921466 ZFGAUFCQRUSRCF-YRNVUSSQSA-N 272.354 3.564 0 40 CHAB CC(C)CC(=O)Nc1cccc(-c2nc3cnccc3o2)c1 32072784 PUKWSTZKXOVLAW-UHFFFAOYSA-N 295.342 3.874 0 40 CHAB O=C(O)c1ccccc1Nc1nc2ccccc2nc1Cl 408756604 HZJUSHCNVAWLIZ-UHFFFAOYSA-N 299.717 3.725 0 40 CHAB Nc1ccc(Oc2cccc(Cl)c2F)c(F)c1 71867333 VLAMCDVNMXJZMN-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)cc1 225697736 XGQWULBFRGVGOU-INIZCTEOSA-N 279.380 3.619 0 40 CHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1 225612585 LOHUYTPGPXXBMN-MRXNPFEDSA-N 279.380 3.537 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1 44945909 VRTMXABLRGHRMU-OAHLLOKOSA-N 273.307 3.622 0 40 CHAB Cc1cc(CNC2CCCC2)ccc1Br 85706623 YCESHWACPAVBKZ-UHFFFAOYSA-N 268.198 3.790 0 40 CHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)CC 44847891 SLUUZVZJUXVVRO-DYVFJYSZSA-N 285.387 3.912 0 40 CHAB c1csc([C@H](N[C@@H]2CCCc3occc32)C2CC2)n1 192903819 SICGSGZFDXLPNE-TZMCWYRMSA-N 274.389 3.854 0 40 CHAB Cc1ccc(CC(=O)NCCCc2ccccc2)c(C)c1 223717617 NXFKZXDRXLASMD-UHFFFAOYSA-N 281.399 3.595 0 40 CHAB Fc1cc(Br)ccc1COCC(F)(F)F 49600890 DKPVHUYVIXFNCT-UHFFFAOYSA-N 287.050 3.667 0 40 CHAB Cc1cc(C)cc(O[C@H](Cc2c(C)cccc2C)C(=O)O)c1 225031021 IUXZWWCCTRTNJH-GOSISDBHSA-N 298.382 3.995 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1 224130780 MOOZGBNMVSLHFE-LBPRGKRZSA-N 293.794 3.724 0 40 CHAB FC(F)c1nc2ccncc2c(Cl)c1Br 242750296 ZKLQMOVNJIVGGG-UHFFFAOYSA-N 293.498 3.983 0 40 CHAB Cc1nn(C2CCCC2)cc1CNCCc1ccccc1 256052520 NRDGTYQIYZAKMD-UHFFFAOYSA-N 283.419 3.639 0 40 CHAB CC[C@H](C(=O)OC)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260619428 LPLFPNHBHVLNBI-BXUZGUMPSA-N 293.382 3.870 0 40 CHAB Cc1cc(Cl)c(I)c(Cl)c1 64219814 FLEBTFMGFDIZRG-UHFFFAOYSA-N 286.927 3.906 0 40 CHAB in-vitro O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 28628399 ZUEJGAMOGANUBX-DTWKUNHWSA-N 277.311 3.599 0 40 CHAB Cc1ccc(C)c(Sc2ncccc2C(=O)N(C)C)c1 57542001 SKUKVOFAUPACMC-UHFFFAOYSA-N 286.400 3.551 0 40 CHAB COc1ccc(NC(=O)NC2CCC(C)CC2)cc1F 40121681 BMTUFNKVEGWAJZ-UHFFFAOYSA-N 280.343 3.535 0 40 CHAB CN(Cc1cscn1)[C@@H](c1ccccc1)C(F)(F)F 95349681 FMINUCFDRVQQQC-LBPRGKRZSA-N 286.322 3.879 0 40 CHAB Cc1nc(Nc2cc(F)ccc2F)cc(C(F)F)n1 1888879685 XFHHHEBOTHEPQR-UHFFFAOYSA-N 271.217 3.744 0 40 CHAB CC(C)N(Cc1ccccc1)C(=O)c1ccccc1F 5171434 XZFUSRGNLTUTPS-UHFFFAOYSA-N 271.335 3.877 0 40 CHAB O=C(O)c1ccc(COc2ccccc2Cl)s1 12357616 SCSSNUATFREOIW-UHFFFAOYSA-N 268.721 3.679 0 40 CHAB Cc1ccc(C(=O)CCC(=O)NCCC2=CCCCC2)cc1 36138888 QIGPRXKYTPEJBD-UHFFFAOYSA-N 299.414 3.965 0 40 CHAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1cccc(F)c1F)OC2(C)C 1848356406 PUTHLPOSOOPSMY-PCYVFIMYSA-N 296.357 3.838 0 40 CHAB CCCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 13709268 BBICGEQXKOIXHA-CYBMUJFWSA-N 271.360 3.523 0 40 CHAB C[C@H]1CCc2c(sc3c2[C@H](c2cccnc2)CC(=O)N3)C1 15085266 NVIIEWXQZKANPW-GWCFXTLKSA-N 298.411 3.742 0 40 CHAB CCCC[C@H](CC)C(=O)c1ccc(C(=O)OC)cc1 575362501 RGRCTVQJZHHZLV-LBPRGKRZSA-N 262.349 3.872 0 40 CHAB Fc1cccc(Cl)c1-c1nn2c(C3CC3)nnc2s1 40284458 XRRCFZSQPYACOX-UHFFFAOYSA-N 294.742 3.523 0 40 CHAB CC(C)c1nc(CC(=O)Nc2cc(F)ccc2F)cs1 31673966 CQTWMGWIYCQTDI-UHFFFAOYSA-N 296.342 3.726 0 40 CHAB CC(C)(C)c1cc(CC(=O)O)cc(C(C)(C)C)c1O 157750 QLMGIWHWWWXXME-UHFFFAOYSA-N 264.365 3.614 0 40 CHAB in-vitro CSc1ccccc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102270682 KSSZACFWZNLZFE-SRVKXCTJSA-N 259.374 3.559 0 40 CHAB CCC[C@@H](C(=O)Nc1ccccc1O)c1ccccc1 21866384 BVEPHEIIOAJDMR-CQSZACIVSA-N 269.344 3.915 0 40 CHAB O=c1nc2n(c3ccccc13)Cc1ccc3ccccc3c1-2 518235 ISBNABFPUNHGEW-UHFFFAOYSA-N 284.318 3.578 0 40 CHAB biogenic Cc1ncc([C@H]2CCCN2C)c2c1[nH]c1ccccc12 47466 DIZAFWUMCZPYGF-OAHLLOKOSA-N 265.360 3.791 0 40 CHAB biogenic O=C(Nc1ccc(F)cc1F)[C@H]1C[C@H]1c1ccccc1 473434 CCHOTFCJTOHMGZ-STQMWFEESA-N 273.282 3.707 0 40 CHAB Cc1cc2n(n1)[C@@H](c1cccnc1)Nc1c(C)cccc1-2 818114 XAHQOHCUTQZIRV-KRWDZBQOSA-N 276.343 3.534 0 40 CHAB c1ccc2[nH]c(SCc3ccc4nsnc4c3)nc2c1 1094732 FHQCNZYLWYLECX-UHFFFAOYSA-N 298.396 3.860 0 40 CHAB CCN(CC)CCC(=O)c1cccc2ccccc12 1628195 NCHQFIZSGLIKAS-UHFFFAOYSA-N 255.361 3.754 0 40 CHAB biogenic COc1ccc(Br)c2c(OC)cccc12 1691147 WETIXPBBCSDHOX-UHFFFAOYSA-N 267.122 3.620 0 40 CHAB CCOC(=O)Nc1c(C)cc(C)c(Br)c1C 1719354 WJHXYMXQQLYJBD-UHFFFAOYSA-N 286.169 3.943 0 40 CHAB biogenic CCCCc1ccc(NC(=O)/C=C/c2cnn(C)c2C)cc1 2089578 MAQOVOVENFJHRE-FMIVXFBMSA-N 297.402 3.723 0 40 CHAB CCc1ccc2oc(=O)cc(CN3CCCC[C@H]3C)c2c1 2352811 CJDJHMYQTVCDAS-CYBMUJFWSA-N 285.387 3.730 0 40 CHAB biogenic CC1(C)CC(NCCc2c[nH]c3ccccc23)CC(C)(C)N1 2475696 LATUUAMNZPPURS-UHFFFAOYSA-N 299.462 3.609 0 40 CHAB COc1ccc2nc(NC(=O)c3ccccc3C)sc2c1 3213994 NPVZVPIKPIGVMH-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB NC12c3ccccc3C(c3ccccc31)c1ccccc12 3852388 DJTAMOPOOXTTJD-UHFFFAOYSA-N 269.347 3.744 0 40 CHAB biogenic COc1cccc(CO[C@@H]2CCOc3ccccc32)c1 4107025 BBJHNHCDPSEIOJ-QGZVFWFLSA-N 270.328 3.736 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C[C@@]43C)[C@@H]1CC[C@@H]2O 4302982 ZRIOQYDHRPOBLF-SLRVXIGRSA-N 276.420 3.569 0 40 CHAB Oc1cc(-c2ccccc2)nc(SCc2ccccn2)n1 5154842 QEKLTAZKMUABGH-UHFFFAOYSA-N 295.367 3.537 0 40 CHAB C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2O 5529907 PUQSDJZESAQGQS-MHORFTMASA-N 272.388 3.553 0 40 CHAB biogenic CCn1c(CSCc2ccc(F)cc2)n[nH]c1=S 5909232 IUNPOBWUHYPHOE-UHFFFAOYSA-N 283.397 3.533 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1 6176164 XGZOCTMNPUCEJS-MRXNPFEDSA-N 281.399 3.757 0 40 CHAB CCc1c(O)cc(=O)n(-c2ccccc2)c1-c1ccccc1 6519475 SOYMRIKAPSBFNE-UHFFFAOYSA-N 291.350 3.773 0 40 CHAB COC[C@@H](C)Nc1nc(-c2ccc(C)c(C)c2)cs1 6671143 SKYNFNLFIOJTDJ-GFCCVEGCSA-N 276.405 3.874 0 40 CHAB CCn1c(NCc2ccccc2C)nc2ccccc21 6752533 ORAMJQQDRPBANT-UHFFFAOYSA-N 265.360 3.977 0 40 CHAB Cc1ccccc1NC(=O)c1cnc2onc(C(C)C)c2c1 8762526 BVWHDABRQLZAGN-UHFFFAOYSA-N 295.342 3.907 0 40 CHAB COc1ccc2ccccc2c1CN(C)Cc1cccnc1 9090023 XDIPMLDEMWXESB-UHFFFAOYSA-N 292.382 3.875 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(O)c1 9337077 JMXYSSKNGBFKKP-QWHCGFSZSA-N 285.318 3.582 0 40 CHAB Cc1ccc(CSCC(=O)N2CCc3ccccc32)cc1 10448990 PYAZHKKPATVJEI-UHFFFAOYSA-N 297.423 3.818 0 40 CHAB CC(C)[C@H](NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 12631018 SJPZQEPHHZNUTE-INIZCTEOSA-N 299.418 3.957 0 40 CHAB CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](OCc1ccccc1)C2 12856154 GAOXSAWQBLHRAE-BBWFWOEESA-N 260.377 3.939 0 40 CHAB CC(=O)Nc1ccc(/C=C\c2ccc(NC(C)=O)cc2)cc1 13405223 UVPMLXBZUJILHQ-ARJAWSKDSA-N 294.354 3.774 0 40 CHAB CCc1ccccc1NC(=O)NCc1ccc(OC)cc1 17009277 RAFSQGDWRLDKHR-UHFFFAOYSA-N 284.359 3.579 0 40 CHAB CC(=O)Nc1ccc(CNC[C@@H](C)c2ccccc2)cc1 17312461 RWWAFGQFVXJYGT-CQSZACIVSA-N 282.387 3.538 0 40 CHAB Cc1cccc(CN2CCCCC[C@@H]2c2cc(C)on2)n1 19236254 HKJKFOUCUSUDMD-QGZVFWFLSA-N 285.391 3.804 0 40 CHAB Cc1cc2ncn(-c3ncnc4ccccc34)c2cc1C 24340391 MXYHXBYVFHVSQT-UHFFFAOYSA-N 274.327 3.586 0 40 CHAB Cc1ccccc1-n1c(CNc2ccccc2)n[nH]c1=S 26439329 ABKHNYIGZJHKKL-UHFFFAOYSA-N 296.399 3.850 0 40 CHAB CC1CCC(NC(=O)CCCc2nc3ccccc3[nH]2)CC1 29053929 WVQISYSLQQHKPV-UHFFFAOYSA-N 299.418 3.581 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)n1C 31206645 JLZLZWYKPDNMLQ-UHFFFAOYSA-N 298.386 3.907 0 40 CHAB CC(C)(C)OC(=O)N1CCC(NCC2CCCCC2)CC1 36878975 SXBNIBVFEDZLLR-UHFFFAOYSA-N 296.455 3.556 0 40 CHAB O=C(CCSc1ccccn1)c1ccc(F)cc1 37331276 YSGTXMVUBVXECL-UHFFFAOYSA-N 261.321 3.586 0 40 CHAB in-vitro CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccccc1)C2 38193032 NTWLHHBGBISWLH-CPUCHLNUSA-N 257.377 3.631 0 40 CHAB Nc1ccc2nc(SCc3ccccn3)sc2c1 42141719 LLSDISLRDGKVAR-UHFFFAOYSA-N 273.386 3.566 0 40 CHAB CCOC(=O)CCCC(=O)c1cc(C)c(C)cc1C 43214439 IBIDCOCEWYEMCC-UHFFFAOYSA-N 262.349 3.528 0 40 CHAB Cc1ccc(C(=O)c2cc(F)c(F)c(F)c2)cc1 43391850 HILFYCIZPMGSTJ-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Fc1ccc(-c2nc(CSc3nncs3)co2)cc1 43694631 IRAZRFKWILEHBR-UHFFFAOYSA-N 293.348 3.625 0 40 CHAB O=C(NCCSCc1ccccc1)NC1CCCCC1 48487377 FOTWNESRZAGVBU-UHFFFAOYSA-N 292.448 3.552 0 40 CHAB O=C(Nc1cc(-c2cccs2)n[nH]1)C1CCCCC1 48751044 QPMFQBPENPOLBH-UHFFFAOYSA-N 275.377 3.657 0 40 CHAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1ccsc1 49545424 FVXARYTYPRCNMD-JTQLQIEISA-N 275.377 3.823 0 40 CHAB c1ccc(Nc2ccc(C3=NCCCC3)cn2)cc1 72214089 HILGTOKIBAQHOY-UHFFFAOYSA-N 251.333 3.798 0 40 CHAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCCN1 72214270 BZIADAHDUSVRHP-INIZCTEOSA-N 267.376 3.664 0 40 CHAB c1ccc2c(c1)CCC[C@@H]2NCc1cnc2ccccn12 72272611 GAVGKCINDIYQCO-KRWDZBQOSA-N 277.371 3.502 0 40 CHAB Fc1ccc(NCc2cscn2)c(OCC(F)F)c1 91068236 SYVGDEKOSUASMC-UHFFFAOYSA-N 288.294 3.538 0 40 CHAB O=C(O)C1CCC(c2cc3cccnc3c(Cl)n2)CC1 96179488 GIVORNHULGHDDN-UHFFFAOYSA-N 290.750 3.642 0 40 CHAB CC(=O)Nc1cccc(CSc2cccs2)c1 96409130 UHQBDOUVWXOBPX-UHFFFAOYSA-N 263.387 3.999 0 40 CHAB O=C(CCN1CC[C@H]2CC[C@@H](C2)C1)c1ccccc1F 104069613 HJBRVVDCPXNIPI-KGLIPLIRSA-N 275.367 3.521 0 40 CHAB CC1(C)[C@@]2(c3ccccc3)[C@H]3C[C@H](O)[C@@H]3[C@]12c1ccccc1 104280306 WZTHKHSGKBYGRU-FSAOVCISSA-N 290.406 3.913 0 40 CHAB CCCN(CCCC(=O)O)c1cccc(Cl)c1C 224991564 XDNGXVVFIRDOQY-UHFFFAOYSA-N 269.772 3.730 0 40 CHAB Cc1ccccc1[C@@H](NC(=O)C(C)C)c1ccccc1 225281702 MOZAYXCJLFRWEG-KRWDZBQOSA-N 267.372 3.857 0 40 CHAB O=C(O)Cc1cc(Nc2c(Cl)cccc2Cl)ccn1 256053830 TVICLMVYJJSAEM-UHFFFAOYSA-N 297.141 3.759 0 40 CHAB Cc1cc(C(=O)C(Cl)(Cl)Cl)ccc1F 307535835 RWUWCCBXMHZOBD-UHFFFAOYSA-N 255.503 3.687 0 40 CHAB O=C(COCc1ccccc1)c1ccc(F)c(Cl)c1 394777581 JVAVKZIKVNOJSX-UHFFFAOYSA-N 278.710 3.879 0 40 CHAB CC(C)OCc1c(Br)cnn1C1CCCC1 408717152 WIYXHAMFPHYRRM-UHFFFAOYSA-N 287.201 3.686 0 40 CHAB COC(=O)CCCC(=O)c1ccccc1-c1ccccc1 575357770 POCIYDSOPFANDX-UHFFFAOYSA-N 282.339 3.880 0 40 CHAB FC(F)(F)CNc1ncc(/C=C/c2ccccc2)cn1 2086861467 RYMWAPTXWSOZGY-VOTSOKGWSA-N 279.265 3.621 0 40 CHAB CSc1nnc(-c2ccccc2O)n1-c1ccc(C)cc1 419963 FFOZQGAGCFESCP-UHFFFAOYSA-N 297.383 3.670 0 40 CHAB COCCOC(=O)CCCCCC1CCCCC1 1566578 AYMBNLOOKBKOHX-UHFFFAOYSA-N 256.386 3.707 0 40 CHAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC1 2637369 DSJASXHSXKGXPD-UHFFFAOYSA-N 288.435 3.968 0 40 CHAB CSc1nccn1-c1ncc(C(F)(F)F)cc1Cl 1392009 SMPKBOBRXYCJHC-UHFFFAOYSA-N 293.701 3.661 0 40 CHAB O=C(NC1CCCCCC1)c1cc(Cl)c2c(c1)OCO2 8304173 IKHOVIWPCWOQEJ-UHFFFAOYSA-N 295.766 3.521 0 40 CHAB F[C@]1(Br)[C@@H]2[C@H]1C1(CC1)[C@H]1[C@@H]3C=C[C@@H]([C@@H]21)C31CC1 100682013 PQVHWNNEXXKKEF-WQPNVZCNSA-N 295.195 3.915 0 40 CHAB CCCCNC(=O)c1ccc(Oc2ccccc2)o1 175865215 HOGTUWRHGITUKR-UHFFFAOYSA-N 259.305 3.602 0 40 CHAB O=[S@@](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1 58132487 IWNGQGGCBKBSIZ-SFHVURJKSA-N 282.767 3.928 0 40 CHAB Cc1ccccc1C(=O)NCC1(c2ccccc2)CCC1 10221321 OIWJEATVVKVPDY-UHFFFAOYSA-N 279.383 3.847 0 40 CHAB C[C@H]1C[C@H](C)CN(c2ccnc(-c3ccccc3)n2)C1 58307495 KUPKGYGNEDCHNL-KBPBESRZSA-N 267.376 3.626 0 40 CHAB CCCCSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 2298526 BMBQRLIOSORMCJ-UHFFFAOYSA-N 294.445 3.756 0 40 CHAB CCOCc1ccc(CNC(=O)c2sccc2C)cc1 23150710 TXQVYPHGQBNIRN-UHFFFAOYSA-N 289.400 3.523 0 40 CHAB COc1ccc(CC(=O)Nc2cc(C)ccc2C)cc1OC 3478983 OJWWVQOUNQOCKH-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Clc1ccc(NCc2nc(C3CC3)no2)cc1Cl 48657164 IMOBNMFFQXHVFI-UHFFFAOYSA-N 284.146 3.866 0 40 CHAB O=C(Cc1ccc(Cl)cc1Cl)NCc1ccccc1 3612265 OTDHPTPIMBGZQG-UHFFFAOYSA-N 294.181 3.852 0 40 CHAB CN(C(=O)CCc1c[nH]c2ccccc12)c1ccccc1 13006217 ROVZEBQRFKYLDH-UHFFFAOYSA-N 278.355 3.764 0 40 CHAB c1ccc(-c2cc3c(-n4ccnc4)ncnc3s2)cc1 9156577 XHCXMBYWENEWBQ-UHFFFAOYSA-N 278.340 3.544 0 40 CHAB CCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 49479277 ZSLDCZFWVXVGAW-UHFFFAOYSA-N 270.376 3.529 0 40 CHAB Cc1ccccc1CSc1nnc([C@@H](N)CC(C)C)o1 5045939 SMIIBYMLUWYGMJ-ZDUSSCGKSA-N 291.420 3.716 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)on1 65410568 GFBNWJHQXNSKBA-UHFFFAOYSA-N 296.779 3.539 0 40 CHAB CSCc1nnc(S[C@@H](C)c2ccc(F)cc2)o1 65576555 KPSSRTRDZSTQEH-QMMMGPOBSA-N 284.381 3.925 0 40 CHAB CC[C@]1(C)N=C(S)C(c2ccc(Br)cc2)=N1 67240490 LEVIWDCCXVSXDD-LBPRGKRZSA-N 297.221 3.706 0 40 CHAB CC(=O)CCc1ccc(OCc2ccccc2)cc1 19806324 CHNZGXYUBUDBID-UHFFFAOYSA-N 254.329 3.787 0 40 CHAB Fc1ccc(CNCCc2c[nH]c3ccccc23)c(F)c1 20122471 CLNQFQAVUSXFLU-UHFFFAOYSA-N 286.325 3.778 0 40 CHAB NC(=O)c1cc(Cl)ccc1OC/C=C/c1ccccc1 16662311 WAHVRLMVTTVGMD-QPJJXVBHSA-N 287.746 3.531 0 40 CHAB CC(C)N(CC(=O)c1ccc(F)cc1)c1ccccc1 22010444 ZGLVBYZCXLSAPH-UHFFFAOYSA-N 271.335 3.923 0 40 CHAB CCCc1noc(CN[C@@H](C)c2ccc(Cl)cc2)n1 69413924 PWADUYHLRFFJAU-JTQLQIEISA-N 279.771 3.526 0 40 CHAB FC(F)(F)c1ccc(-n2cnc(Br)c2)cc1 72193545 SNHPQERAIAJKJN-UHFFFAOYSA-N 291.070 3.654 0 40 CHAB CCCN(CCC)C(=O)Nc1ccc2c(c1)nc(C)n2C 409142444 LKVNNXQBOGJGMG-UHFFFAOYSA-N 288.395 3.536 0 40 CHAB C[C@@]12CCCCN1CCCc1c2[nH]c2ccccc12 331084 SSVYQKVUSXFNFY-KRWDZBQOSA-N 254.377 3.815 0 40 CHAB biogenic Cc1nc2cc(NC(=O)NCc3ccco3)ccc2s1 408975921 CUHWBOZEYHTCLN-UHFFFAOYSA-N 287.344 3.519 0 40 CHAB COc1ccc(NC(=S)Nc2cccc(F)c2C)cc1 71760524 UHAMRXAFHZGADK-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC=CCC1 32678870 VTFCHNAGCRQQNO-JTQLQIEISA-N 269.797 3.716 0 40 CHAB CCCN1CCC[C@@H]1c1ccc(NC2CCC2)nc1 72213839 XBHBAWNZMYOTPJ-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB O[C@H](CCN1CCCc2ccccc2C1)c1ccccc1 62945495 VUOUVFHTIRTGQN-LJQANCHMSA-N 281.399 3.559 0 40 CHAB COc1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1 33945762 VMHGCJRIYQHXFK-UHFFFAOYSA-N 298.553 3.614 0 40 CHAB CSc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72216948 QDSSKEFKDWPJOB-HNNXBMFYSA-N 298.411 3.781 0 40 CHAB CCCCO[C@H](COC)c1ccc(Br)cc1 72220322 JCVYUWOTXQWERP-CYBMUJFWSA-N 287.197 3.953 0 40 CHAB Cc1cc(N2CCCCCC2)ncc1Br 42783497 PRHFFMRPGYHMLJ-UHFFFAOYSA-N 269.186 3.533 0 40 CHAB Cc1ccc(CC(=O)Nc2ccccc2C)c(C)c1 225768385 RAKXGFNGGGWFJB-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CC(C)(C)C(=O)NCCSCc1cccc(Cl)c1 224688054 PLLNWYMZWRLTGB-UHFFFAOYSA-N 285.840 3.736 0 40 CHAB CC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 42124330 XIILEDLBQPLDFK-KGLIPLIRSA-N 277.408 3.800 0 40 CHAB Cc1ccnc(NC(=S)NC2CCCCCCC2)c1 225202502 DBWSNGWJOJZCBY-UHFFFAOYSA-N 277.437 3.789 0 40 CHAB COc1ccccc1CNC(=O)CCc1ccc(C)c(C)c1 96621701 UBJMIINKWKQRGR-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB CCOC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1 96345672 ZLISLIFQQVPJFK-UHFFFAOYSA-N 285.221 3.537 0 40 CHAB COC(=O)c1cc(OCc2ccc(Cl)cc2)cs1 96511073 BPTONVPHSOATOI-UHFFFAOYSA-N 282.748 3.767 0 40 CHAB Cc1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)cc1 96761810 KWKSMVCVCPJZMA-UHFFFAOYSA-N 297.398 3.511 0 40 CHAB CCc1nc(CCN[C@@H](C)c2ccco2)sc1C 95421590 KBIAOIXZYQUTMX-JTQLQIEISA-N 264.394 3.500 0 40 CHAB CC(C)(C)OC(=O)n1cc(C(C)(C)CN)c2ccccc21 91297536 QKNNTRWRJFJHCT-UHFFFAOYSA-N 288.391 3.661 0 40 CHAB C[C@H](Cc1ccoc1)NC(=O)c1ccc2ccccc2c1 84835136 MTBYBQSXCUSYAP-CYBMUJFWSA-N 279.339 3.794 0 40 CHAB Cc1cc(/C=C/C(=O)O)cc(C)c1OC(=O)c1ccccc1 256052925 PFFXRXHZFBMAGZ-CMDGGOBGSA-N 296.322 3.620 0 40 CHAB C[C@@H](NC(=O)NC1CC1)c1ccc(Cl)c(Cl)c1 26518599 MOIFAYCXJVQYJZ-SSDOTTSWSA-N 273.163 3.516 0 40 CHAB Clc1cc(Br)ccc1N1CCSCC1 95915833 RJMXAUOYQGJXMI-UHFFFAOYSA-N 292.629 3.656 0 40 CHAB CCc1[nH]c2cccc(Br)c2c(=O)c1C(C)C 685938079 JFNRGKNPHZLZOJ-UHFFFAOYSA-N 294.192 3.976 0 40 CHAB Cc1ccc(C[S@](=O)Cc2ccccc2F)cc1 58307788 ASSYOVLOCQGSCR-GOSISDBHSA-N 262.349 3.583 0 40 CHAB CC(C)(C)NC(=O)/C=C/c1c(Cl)cccc1Cl 146018 ZKJUOUCJXHTAMX-BQYQJAHWSA-N 272.175 3.921 0 40 CHAB CC[n+]1c(/C=C/Nc2ccccc2)oc2ccc(OC)cc21 284672 SGHGCSZUPVKCKO-UHFFFAOYSA-O 295.362 3.832 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccccc2)c(C)c1 5553032 OPBFJLMFVFLQRO-UHFFFAOYSA-N 270.401 3.790 0 40 CHAB CC1CCC(NC(=O)c2cc3c(s2)CCCC3)CC1 13022246 KUYAAMCAMQHADE-UHFFFAOYSA-N 277.433 3.935 0 40 CHAB C[C@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 13511521 KRIROHZWSALYAG-DTDBQYNISA-N 279.383 3.914 0 40 CHAB O=C(Nc1ccncc1)c1cc(F)c(Cl)cc1Cl 17585628 FZAUYFPFACEDHB-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB CCNc1ccc(-c2cc3ccccc3oc2=O)cc1 200261001 YGOJUUJYRNURAE-UHFFFAOYSA-N 265.312 3.892 0 40 CHAB Cc1sc2ncnc(S[C@@H]3CCCCC3=O)c2c1C 3304225 WKPJTJKTADDPHY-LLVKDONJSA-N 292.429 3.912 0 40 CHAB O=C(Nc1cccc(Br)c1)NC1CCCCC1 6330657 XCOAZYQBPURILQ-UHFFFAOYSA-N 297.196 3.903 0 40 CHAB c1ccc(CCCN2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1888860084 ZHUSUBIUQOSNMJ-ROUUACIJSA-N 295.430 3.684 0 40 CHAB O=C(CCC1CCCC1)N[C@@H]1CCc2ccccc21 22009005 LMZWFOXOTDWKOJ-MRXNPFEDSA-N 257.377 3.761 0 40 CHAB CCCCN(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 12898098 ZAOLTFNAVFXZNG-UHFFFAOYSA-N 258.365 3.657 0 40 CHAB CC(C)C[C@@H](NC(=O)c1ccoc1)c1ccccc1 12998507 PYPYYCIRLXBKTJ-OAHLLOKOSA-N 257.333 3.797 0 40 CHAB COc1ccc(Nc2ncnc3sc(C)cc23)cc1 4331362 BASZAHRUQVESRJ-UHFFFAOYSA-N 271.345 3.752 0 40 CHAB O=C(Cc1cccc2ccccc12)N1[C@H]2C=CC[C@H]1CC2 206916178 YZIAVUOJVJREJX-IRXDYDNUSA-N 277.367 3.702 0 40 CHAB Cc1csc(N(C)C(=O)c2ccc(F)cc2Cl)n1 40548883 YZIJLIOWZAWHDC-UHFFFAOYSA-N 284.743 3.521 0 40 CHAB CC[C@H]1C[C@H]2CCN1[C@H]([C@H](O)c1ccnc3ccccc13)C2 345627 YGSPYMMGHMAUNZ-SPLQCWDRSA-N 296.414 3.531 0 40 CHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(F)cc2F)c1 370757 YINNQVKEJHMSLJ-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)c1 32889865 XLUJCNVKVZMYRB-PBHICJAKSA-N 285.387 3.715 0 40 CHAB CSc1cccc(NC(=O)Cc2ccccc2)c1 362326 UZTXCOMDUWJMPY-UHFFFAOYSA-N 257.358 3.590 0 40 CHAB Cc1ccc2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1 517351 ZDBOBXXJYSMWNT-UHFFFAOYSA-N 294.306 3.540 0 40 CHAB biogenic O=C(Nc1ccccc1)OCc1cnc(Cl)s1 1392583 GCLYTHUNCAFZCS-UHFFFAOYSA-N 268.725 3.545 0 40 CHAB O=C(O)C[C@H]1c2ccccc2CC[C@@H]1c1ccccc1 1599940 QQAZKBDPNZVXTH-SJORKVTESA-N 266.340 3.975 0 40 CHAB COc1ccc2c(c1)[C@@H]1CCCC[C@@H]1SCC2=O 1706546 QFMVPESDGFXAFO-WFASDCNBSA-N 262.374 3.651 0 40 CHAB CCCCNc1ccc(S(=O)(=O)c2ccccc2)cc1 1749555 QVCGCYNJJOSYAO-UHFFFAOYSA-N 289.400 3.731 0 40 CHAB CCc1ccc(CNCCc2ccc(F)cc2)cc1 2178165 BBSSWYSCTKZXFZ-UHFFFAOYSA-N 257.352 3.720 0 40 CHAB C[C@H]1CCCCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 2213936 GRWSKCGTQJOOEF-ZDUSSCGKSA-N 297.398 3.656 0 40 CHAB biogenic Cc1ccc(C)c(OCc2ccc(C(=O)O)cc2)c1 2521403 KRJMDMIKYZTKRL-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB CCCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 3203299 MYTMSPZIIQMYPE-AWEZNQCLSA-N 283.371 3.966 0 40 CHAB Cc1cccc(C(=O)NCc2ccccc2Cl)c1C 3421156 VKGHVSNSZWZEPO-UHFFFAOYSA-N 273.763 3.887 0 40 CHAB Cc1ccccc1OCC(=O)N[C@H]1CCCc2ccccc21 3606553 PLKGKFUDNZQSCU-KRWDZBQOSA-N 295.382 3.568 0 40 CHAB CCC[C@H](C)C(=O)Nc1nnc(Cc2ccccc2)s1 4694456 XEXHTVZFDVCIRH-NSHDSACASA-N 289.404 3.504 0 40 CHAB COc1cc2c(cc1OC)C(CCc1ccccc1)=NCC2 4956068 OVLGDRCDLSLUAP-UHFFFAOYSA-N 295.382 3.682 0 40 CHAB biogenic COc1ccc(C(=O)Nc2c(C)cccc2C)c(OC)c1 5548803 IXIJYDGOBWAHAD-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc(F)c1 5996304 OUOZFQBUTZCNFE-UHFFFAOYSA-N 298.361 3.674 0 40 CHAB COc1c2c(c(OC)c3ccccc13)[C@H]1C=C[C@@H]2C1 5998723 MVNKVWQSNVLBIV-PHIMTYICSA-N 252.313 3.998 0 40 CHAB Cc1ccc([S@@](=O)OC2C3CC4CC(C3)CC2C4)cc1 6487899 WVQBTXUGUZCNHC-ISULBYMGSA-N 290.428 3.859 0 40 CHAB CCCCNc1ncnc2c1c(C)c(C)n2Cc1ccco1 6755539 BZQVRNLKFHGROM-UHFFFAOYSA-N 298.390 3.901 0 40 CHAB O=C(Nc1cccc2cnccc12)c1cccc(F)c1 7655307 OHIZBOVUXOBFEF-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB CCCCC(=O)Nc1ccccc1S[C@H](CC)C(=O)O 8732838 YJYBPYSCHHTYNX-GFCCVEGCSA-N 295.404 3.771 0 40 CHAB Cc1nc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@@H]32)cs1 12918730 QNBOVGYNAWGSGP-HOMMJUPQSA-N 290.432 3.646 0 40 CHAB CCc1ccc(-c2nc(C)c(C(=O)NC3CC3)s2)cc1 15658161 UBWIBKKZQYPBNN-UHFFFAOYSA-N 286.400 3.573 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)c1cccc(N)c1C 19426647 NIFZXCXCCNSLFN-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB COc1ccc2c(c1)[C@@H](c1cccc(Cl)c1)NCC2 19625843 VTAIVNGVFBIKHG-MRXNPFEDSA-N 273.763 3.584 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 20108251 DLLZSWGJPHRYII-GJZGRUSLSA-N 297.398 3.894 0 40 CHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1cccs1 22384507 ZQLKKKLGJOANRV-LLVKDONJSA-N 292.379 3.790 0 40 CHAB CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCc2ccccc21 29209193 WKEMBEDUNLGIKR-MRXNPFEDSA-N 287.309 3.724 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)OCC(F)(F)F 32628822 HOZDUAIIWMSOLS-UHFFFAOYSA-N 297.660 3.768 0 40 CHAB C[C@@H](Cc1ccco1)NC(=O)c1ccc(Cl)c(Cl)c1 33206604 QSVFGLFZMRRNPO-VIFPVBQESA-N 298.169 3.947 0 40 CHAB Cc1noc(C)c1CN[C@H]1CCSc2ccccc21 34996584 XPZQVTMIUFGYRE-AWEZNQCLSA-N 274.389 3.618 0 40 CHAB Cc1ccc2c(N)c(-c3nc4ccccc4[nH]3)sc2n1 36242372 ZLYVXZXCYMGQHD-UHFFFAOYSA-N 280.356 3.730 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)cc1 39982943 FDRLXDZXSZCSRI-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB C[C@@H](CCc1ccco1)NC(=O)N(C)Cc1cccs1 40497856 RHOGZVUTKBCVIJ-LBPRGKRZSA-N 292.404 3.504 0 40 CHAB C[C@@H](CNC(=O)CSCc1ccccc1)c1ccccc1 44508611 OBWRXXDAWCVVGA-HNNXBMFYSA-N 299.439 3.840 0 40 CHAB CC[C@@H](NC(=O)N1CCSCC1)c1ccc(Cl)cc1 45404729 RRCGFRBJWKBRQM-CYBMUJFWSA-N 298.839 3.550 0 40 CHAB CC1(C)CC[C@@H](NC(=O)c2ccoc2)c2ccccc21 49519216 CCOLODUOSYWWFZ-OAHLLOKOSA-N 269.344 3.822 0 40 CHAB Cc1nc2cc(-c3cccc4ccnn34)ccc2s1 72145657 ZCMLMBAWMMIAPY-UHFFFAOYSA-N 265.341 3.919 0 40 CHAB CCCN1CCCC[C@@H]1c1ccc(Br)nc1 72211571 HKGCSDXWVBYDLC-GFCCVEGCSA-N 283.213 3.781 0 40 CHAB CCCCC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 72402731 WIYSHNVVTMNCMX-AWEZNQCLSA-N 287.363 3.543 0 40 CHAB Fc1ccc(-c2nc(Cl)cc(-c3cccnc3)n2)cc1 73695396 WVXJITAWABCVNM-UHFFFAOYSA-N 285.709 3.998 0 40 CHAB C/C=C/CSCc1nnc(-c2ccccc2OC)o1 84136280 BGESARQVQLMGIK-ONEGZZNKSA-N 276.361 3.555 0 40 CHAB Cc1cc(Cl)c(C(=O)Nc2cccc(C)c2C)cn1 89688756 IDEUIDVXMBJNLE-UHFFFAOYSA-N 274.751 3.913 0 40 CHAB FC(F)c1nnc(NCc2ccccc2Cl)s1 95966806 TVOHIEXWDZZPOA-UHFFFAOYSA-N 275.711 3.741 0 40 CHAB Cc1ccccc1O[C@@H](Cc1cccc(C)c1C)C(=O)O 225021975 BYCHUOVMBOMMKO-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB Cc1cc(C)cc(O[C@@H](Cc2ccccc2F)C(=O)O)c1 225050971 SMDFIRVRJGEVOV-INIZCTEOSA-N 288.318 3.517 0 40 CHAB Nc1cccc([C@H](O)c2ccc3c4c(cccc24)CC3)c1 226295756 BIEMFRKBMHNNSJ-IBGZPJMESA-N 275.351 3.602 0 40 CHAB COC(=O)c1cc2cc(F)cc(Br)c2s1 261133003 MDZPODXNEDFJDC-UHFFFAOYSA-N 289.125 3.590 0 40 CHAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccco3)nn2)c1 408529779 OLZDFKSXUKRGBZ-UHFFFAOYSA-N 294.310 3.573 0 40 CHAB Cc1conc1CNc1ncnc2ccc(C(C)C)cc12 1515969223 PBGRPGUDGMVXJW-UHFFFAOYSA-N 282.347 3.662 0 40 CHAB c1cc2cc(-c3cnc(NC4CCCC4)nc3)ccc2[nH]1 1888890079 MZBBWEGEQUPVTK-UHFFFAOYSA-N 278.359 3.979 0 40 CHAB CCCc1cc(C(=O)Nc2cccc(Cl)c2C)n(C)n1 385447 UVEFMGRUNNFIEW-UHFFFAOYSA-N 291.782 3.587 0 40 CHAB CSc1cccc(NC(=O)/C=C/c2ccco2)c1 574576 BLAGBVQEILHUGO-BQYQJAHWSA-N 259.330 3.653 0 40 CHAB NCCCCCCCN1CCC2(CCCCC2)CC1 1581168 WINQXUMZIWMIKM-UHFFFAOYSA-N 266.473 3.942 0 40 CHAB Clc1ccc(CCc2ccncn2)c(Cl)c1 1625629 IRFKBVHFQGZLBI-UHFFFAOYSA-N 253.132 3.569 0 40 CHAB S=C1SCCCN1Cc1ccc(Cl)cc1 2025024 OTPBDTNXCZFCPV-UHFFFAOYSA-N 257.811 3.564 0 40 CHAB C[C@@]12C[C@H](NC(=O)N1c1cccc(F)c1)c1ccccc1O2 2498588 BQOHJBOIUGENCN-WMLDXEAASA-N 298.317 3.595 0 40 CHAB Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc(O)c1 4678669 CHFCBMMIUCNEFK-UHFFFAOYSA-N 297.333 3.544 0 40 CHAB CCOC(=O)[C@@H]1CC12c1ccccc1-c1ccccc12 4973021 ZGLGCCUGERDNKB-INIZCTEOSA-N 264.324 3.536 0 40 CHAB COc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 5669665 RJNNYVXXKFNQOA-UHFFFAOYSA-N 266.300 3.721 0 40 CHAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)o1 5942774 GGUYZEGVNDMUKT-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB COc1ccc(C[C@@H](C)N)c(Sc2ccccc2)c1 6468897 ZBVAOHMHFXIUII-GFCCVEGCSA-N 273.401 3.736 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6638615 DHZWDLFBFYSLKL-APPZFPTMSA-N 294.326 3.683 0 40 CHAB Cc1ccccc1Nc1nc2ccccc2c2nnc(C)n12 7500043 BPFKDEVXANJKTC-UHFFFAOYSA-N 289.342 3.638 0 40 CHAB O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1C1CC1 7886083 DKFATFGAXZDIEZ-INIZCTEOSA-N 282.318 3.555 0 40 CHAB CSCc1ccc(C(=O)Nc2cccc(C(C)=O)c2)o1 9256825 QCKRXYXNNPELFI-UHFFFAOYSA-N 289.356 3.598 0 40 CHAB Cc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)no1 9502760 ITARFNCDKKXUIP-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CCCCC[C@@H]1OC[C@]2(CO)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 12658034 KWAQTWWTBCDMPK-QUSNUVHPSA-N 266.425 3.793 0 40 CHAB biogenic Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCC[C@H](C)C2)c1 19933375 GVHRUZZGYOGQGQ-BLLLJJGKSA-N 289.419 3.638 0 40 CHAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2C)c(C)c1 20050583 SSWLFVDZSXMWAL-INIZCTEOSA-N 297.398 3.868 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(Cl)c1 20357105 ZGHVZUAXDZAGKW-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB COc1ccc(-c2ccnn2-c2cccc(C)c2)cc1 20635957 XUIJZBCRKSUREG-UHFFFAOYSA-N 264.328 3.856 0 40 CHAB O=C1CCN(Cc2ccccc2)[C@H](c2ccccc2)C1 21987424 SXBALVCQZRIWQR-SFHVURJKSA-N 265.356 3.593 0 40 CHAB CCCCCNC(=O)c1cccc(C(F)(F)F)c1 28210486 OZGQYHZOXAWJRZ-UHFFFAOYSA-N 259.271 3.625 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1C 32666249 JOPOUHVEBRESOI-XNJGSVPQSA-N 271.404 3.730 0 40 CHAB C[C@@H](NC(=O)C1CCCC1)c1ccc(Cl)s1 40074652 CJMQWXFYXMZHNL-MRVPVSSYSA-N 257.786 3.769 0 40 CHAB Cc1csc(CNC(=O)Nc2cccc(Cl)c2C)n1 40525632 FFTHBSDWEZCSKA-UHFFFAOYSA-N 295.795 3.735 0 40 CHAB CCOc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1 44846040 FHLWXCNMFHGQGP-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB O=C(COc1ccccc1)c1ccccc1C(F)(F)F 55233514 WRPLKIAAYPGHSF-UHFFFAOYSA-N 280.245 3.967 0 40 CHAB CCN(C(C)=O)[C@H](c1cccnc1)c1cc(C)cc(C)c1 69777219 HTGFHVBMSXXWPC-GOSISDBHSA-N 282.387 3.656 0 40 CHAB CC[C@H](O)c1cnc(N(C)c2ccccc2)c(C)c1 72222304 LUFOKLQDZZELNW-HNNXBMFYSA-N 256.349 3.601 0 40 CHAB CCC(=O)c1cnc(N(C)Cc2ccccc2)c(C)c1 72222354 BTGBBDLAEOITOZ-UHFFFAOYSA-N 268.360 3.619 0 40 CHAB CC(C)CN(CC(C)C)C(=O)c1ccc(F)c(F)c1 75244166 HBZHWULDNIIFBT-UHFFFAOYSA-N 269.335 3.719 0 40 CHAB CCCC(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 78729691 LUIZDXDVWSOEAG-QGZVFWFLSA-N 286.350 3.569 0 40 CHAB C[C@@H](CC(=O)NCCc1ccc(F)cc1)C(C)(C)C 84636782 AYYPSWMYOIVABD-LBPRGKRZSA-N 265.372 3.557 0 40 CHAB O=C1CCCc2c1cnn2-c1ccc(Cl)cc1Cl 87861669 KNTVMNWOYGRELH-UHFFFAOYSA-N 281.142 3.698 0 40 CHAB CSc1ccc(C(=O)c2cc(F)ccc2F)cc1 89064314 GFGDOXLVQYLUBV-UHFFFAOYSA-N 264.296 3.918 0 40 CHAB Cc1cnc([C@@H](N[C@H](C)CC2CC2)C2CC2)s1 89702395 ZIJNHJWXOBVNAI-RNCFNFMXSA-N 250.411 3.681 0 40 CHAB CC(C)CCC(=O)OCc1nc2cc(Cl)ccc2n1C 89821130 QDHXYUMKICWAGK-UHFFFAOYSA-N 294.782 3.706 0 40 CHAB CO[C@@H](C)c1nc(CSc2ccncc2)cs1 89913580 ANYNXBNVLMCBKN-VIFPVBQESA-N 266.391 3.538 0 40 CHAB Cc1ccc(NC(=O)N(C)OCc2ccccc2)s1 95455392 DAKQGRITBJOUKY-UHFFFAOYSA-N 276.361 3.652 0 40 CHAB C[C@H](NC(=O)N1C[C@H](C)[C@H]1c1ccccc1)c1ccccn1 97010337 BYNYSWRJGOMANI-ZQIUZPCESA-N 295.386 3.545 0 40 CHAB O=C1[C@H]2CCC[C@H]1[C@@]1(O)CCCC[C@@H]1[C@@H]2c1ccccc1 100742636 HRLRAZZTFFAGBS-SEFVSHJNSA-N 284.399 3.691 0 40 CHAB CC[C@@H]1N=C(C)c2cccn2-c2cc3c(cc21)OCCO3 225375208 ZPRWQJWANBGRBH-ZDUSSCGKSA-N 282.343 3.522 0 40 CHAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)cc1 225609940 JITYQPQVJUXROO-MRXNPFEDSA-N 279.380 3.619 0 40 CHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)cc1 225697710 XGQWULBFRGVGOU-MRXNPFEDSA-N 279.380 3.619 0 40 CHAB O=C(O)COc1ccccc1Oc1cccc(Cl)c1 257240422 HTLBWPNVNVSGOI-UHFFFAOYSA-N 278.691 3.596 0 40 CHAB CCn1nccc1-c1cccc([C@H]2CCCN2C(C)C)n1 257322166 WEVDAJZBOIQPKK-MRXNPFEDSA-N 284.407 3.510 0 40 CHAB Cc1c[nH]c([C@H]2CCCN2Cc2cccc3[nH]ccc23)n1 257334214 YFAQFNGYWUUQPA-MRXNPFEDSA-N 280.375 3.537 0 40 CHAB Cc1nc2cc(NC(=O)NC(C)(C)C)ccc2s1 408976327 FIVLYVXERABSEH-UHFFFAOYSA-N 263.366 3.525 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(C(F)(F)F)cc1 575359239 XAAUUBOWEWXEMQ-UHFFFAOYSA-N 288.265 3.622 0 40 CHAB O[C@@H](c1ccc(C(F)(F)F)c(Cl)c1)C(F)(F)F 1536086844 ZDYYDGWWQVUKHI-ZETCQYMHSA-N 278.579 3.955 0 40 CHAB CCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 89141 GHVKGIMUPQSPQC-UHFFFAOYSA-N 293.326 3.752 0 40 CHAB CC(C)(C)c1ccc(C(=O)c2ccccc2N)cc1 2539960 GQQPPSHWUMMVBN-UHFFFAOYSA-N 253.345 3.797 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1Br 3621491 CYNDPQIFBMMXGW-ZWNOBZJWSA-N 296.208 3.758 0 40 CHAB CCCCC[C@@H]1OC[C@]2(CO)[C@H](C)C=C(C)[C@H]1[C@H]2C 4027095 KWAQTWWTBCDMPK-UHDSXZAQSA-N 266.425 3.793 0 40 CHAB biogenic C[C@H]1CC[C@@H]2[C@@H](C1)c1sc(=O)[nH]c1SC2(C)C 4112632 OQJMAILQCVBBBU-DJLDLDEBSA-N 269.435 3.841 0 40 CHAB CCCC[C@@H](CC)C(=O)NCCc1ccc(F)cc1 6397885 MSBNIRKSYUICPX-CQSZACIVSA-N 265.372 3.701 0 40 CHAB CCCCOC(=O)c1ccccc1-c1ccc(N)cc1 7468030 HQOCHFISHHJHHJ-UHFFFAOYSA-N 269.344 3.893 0 40 CHAB Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(N)n1 24971165 FDMHCTARZGGSAA-UHFFFAOYSA-N 277.327 3.827 0 40 CHAB c1ccc(CN2CCCC3(CCCCNC3)CCC2)cc1 95698572 XARHGETYFWCUFH-UHFFFAOYSA-N 286.463 3.823 0 40 CHAB in-vitro COc1ccc(-c2nc(S)c3ccccc3n2)cc1OC 58047019 QUDLLFPVFINEKV-UHFFFAOYSA-N 298.367 3.603 0 40 CHAB Cc1ccc(C(=O)[C@@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100858612 CBJIKKHQXWOTES-IYOUNJFTSA-N 270.372 3.819 0 40 CHAB Cc1nn2c(O)cc(C(C)C)nc2c1-c1ccc(F)cc1 100163321 YTUTVKJXGNIZOF-UHFFFAOYSA-N 285.322 3.673 0 40 CHAB Fc1ccccc1CSc1ncn(-c2ccccc2)n1 2124129 VKPKXJAOXSEDOS-UHFFFAOYSA-N 285.347 3.699 0 40 CHAB Cc1cccc2c1N[C@@H](c1ccccc1Cl)NC2=O 12727846 MVVQBCISAIKBQU-CQSZACIVSA-N 272.735 3.503 0 40 CHAB CC(C)CC(=O)Nc1ccc2[nH]c(-c3cccnc3)nc2c1 71282591 QOYUAYBJJDGWPB-UHFFFAOYSA-N 294.358 3.610 0 40 CHAB O=C(O)CCCCCCCCCC[C@@H]1CCC1=O 22065523 XFBXXTOEKUXMOY-CYBMUJFWSA-N 254.370 3.951 0 40 CHAB in-vitro C[C@H](O)CN(CCCc1ccccc1)c1ccccc1 84638244 VSKNLILGAIVMOT-INIZCTEOSA-N 269.388 3.507 0 40 CHAB CSc1ccc(C(=O)C(Cl)(Cl)Cl)cc1 306747195 JBBVAKSLKMBJAP-UHFFFAOYSA-N 269.580 3.961 0 40 CHAB CO[C@H]1C2=C(CCCC2)C(=O)N1[C@@H]1CCCc2ccccc21 4600222 ZWFZGGCYVMIVTJ-MJGOQNOKSA-N 297.398 3.749 0 40 CHAB O=C(c1cc2ccccc2o1)N1CCc2ccccc2C1 7613772 ZLIKFGWJYZSLHJ-UHFFFAOYSA-N 277.323 3.631 0 40 CHAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cc[nH]c2)cc1 68283742 SOBKUNYMNGXAQK-CQSZACIVSA-N 297.402 3.641 0 40 CHAB O=C(CCc1ccsc1)Nc1cccc2cccnc12 8133716 RPYRLIXPRRZCDI-UHFFFAOYSA-N 282.368 3.868 0 40 CHAB CCc1ccc(CNC(=S)c2ccc(F)cc2)cc1 408576292 WZOMQFAZYOLSDO-UHFFFAOYSA-N 273.376 3.853 0 40 CHAB CCCCn1cc(Br)c(COCC(C)C)n1 408717189 WSEPOUDHEVRVBV-UHFFFAOYSA-N 289.217 3.618 0 40 CHAB O=C(OCc1nccs1)[C@@H]1CCCC[C@H]1C(F)(F)F 97159124 RUNZVTZPBTWPGW-RKDXNWHRSA-N 293.310 3.555 0 40 CHAB C[C@H](C1CC1)n1nccc1NCc1ccc(F)cc1 89894215 UQKPZXUNCYQNDF-LLVKDONJSA-N 259.328 3.605 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(F)c1 21638406 XCJARCIJXSDHTJ-SNVBAGLBSA-N 275.348 3.647 0 40 CHAB Cc1cccc(NC(=O)CCc2ccc3c(c2)CCO3)c1 68741103 WDTAQIPPDGMGKZ-UHFFFAOYSA-N 281.355 3.501 0 40 CHAB CC(C)(C)OC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 39409894 SLDDOBPIIRVZPF-VXNVDRBHSA-N 265.180 3.919 0 40 CHAB Cc1ccc([C@H](O)c2ccccc2Br)cc1 36450807 JOXJJOHFXZJYAK-AWEZNQCLSA-N 277.161 3.839 0 40 CHAB O=C(O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1 36173454 CJNSEIUQORLUMK-GFCCVEGCSA-N 262.255 3.571 0 40 CHAB Cc1ccc(NC(=O)c2ccnc3ccccc23)c(O)c1 72778108 HCBBAAQHBQDDCB-UHFFFAOYSA-N 278.311 3.501 0 40 CHAB O=Cc1ccc(OCCC(F)(F)F)c(Br)c1 70206465 KOKIFDZETSZIQW-UHFFFAOYSA-N 297.070 3.593 0 40 CHAB O=CN1CCC[C@@H]1c1cccnc1SC1CCCCC1 72217289 DDBMZOGRWSKMDP-OAHLLOKOSA-N 290.432 3.800 0 40 CHAB Cc1cccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)c1 225018591 RPSUTTFKDJEJMF-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB Cc1ccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)c(C)c1 225026369 HHKZSCIBYQUUCC-GOSISDBHSA-N 298.382 3.995 0 40 CHAB Cc1cccc(NC2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 96420984 ARVDXOXVQMDDFW-MRXNPFEDSA-N 298.430 3.754 0 40 CHAB CC(C)Oc1ccc(Br)c2cccnc12 96029612 PHKZJOFOGXUSBN-UHFFFAOYSA-N 266.138 3.785 0 40 CHAB Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C 260801708 LJTRNDLBJJZLJN-DZKIICNBSA-N 257.377 3.530 0 40 CHAB FC(F)c1cscc1-c1cnc2c(c1)OCCO2 906195434 KXPBDEXJYAJTQP-UHFFFAOYSA-N 269.272 3.519 0 40 CHAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(C)C 53424719 IBAXZQAYDVDREK-NSHDSACASA-N 288.416 3.952 0 40 CHAB Cc1ccc(CSCC(=O)NCc2ccccc2)cc1 50124738 SSZQPANXTVQVPI-UHFFFAOYSA-N 285.412 3.545 0 40 CHAB Cc1cc(C)cc([C@@H](C)NC(=O)Nc2c(C)noc2C)c1 78657418 CKPHHSQDQFKGBU-LLVKDONJSA-N 287.363 3.791 0 40 CHAB Cc1nc(-c2ccc(O)cc2)[nH]c1-c1ccccc1 5401276 WGERFKZSXJAROS-UHFFFAOYSA-N 250.301 3.758 0 40 CHAB Fc1ccc(-n2c(CCc3ccccc3)n[nH]c2=S)cc1 5927380 YYRRLLYQXPETFN-UHFFFAOYSA-N 299.374 3.854 0 40 CHAB Cc1ccc(CN(CCCO)Cc2sccc2C)s1 13997330 LQGGUPXQZKVEOA-UHFFFAOYSA-N 295.473 3.811 0 40 CHAB COc1cccc(-c2ccnc3c2C(=O)C[C@H](C)C3)c1 14164011 GSOBRNMVLUUXHQ-LLVKDONJSA-N 267.328 3.522 0 40 CHAB CCC(CC)NCc1cc(Br)ccc1F 19883703 FPXIECGHWFXZCV-UHFFFAOYSA-N 274.177 3.866 0 40 CHAB Cc1ccc(C)c(NC(=O)CCC(=O)c2cccs2)c1 9532230 ZADXAWSWXCKYDM-UHFFFAOYSA-N 287.384 3.967 0 40 CHAB COc1ccc(-c2c/c(=N\O)c3cc(F)ccc3o2)cc1 13302171 ZAWXQCROUISMNN-NBVRZTHBSA-N 285.274 3.537 0 40 CHAB CC(=O)N(Cc1ccco1)c1nc2ccc(F)cc2s1 22896054 RSRXMLVUBQQHMI-UHFFFAOYSA-N 290.319 3.582 0 40 CHAB COC(=O)CCCCC(=O)c1cccc(Cl)c1Cl 575360505 ILHBFXFQVAKHDS-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB C1=CC[C@@H](CNC2CCN(Cc3ccccc3)CC2)CC1 20088935 JRENNQJESVDKSH-QGZVFWFLSA-N 284.447 3.597 0 40 CHAB Cc1ccc(OC[C@H]2CCCNC2)c(C(C)(C)C)c1 20221666 STYRGOFVRJNGPF-AWEZNQCLSA-N 261.409 3.671 0 40 CHAB CC(C)COc1ccc(C(=S)N2CCCCC2)cc1 193199 OPIJEJKWAIGJEB-UHFFFAOYSA-N 277.433 3.883 0 40 CHAB Cc1ccc(-c2nnc3c(S)nc4ccccc4n23)cc1 51353988 PROBASXVQYWFJC-UHFFFAOYSA-N 292.367 3.542 0 40 CHAB COc1ccccc1NC(=O)/C=C/c1ccc(C)cc1 581550 JHJSTZKVMTZUHP-VAWYXSNFSA-N 267.328 3.656 0 40 CHAB CCOc1ccc(NCc2ccc(OC)cc2)cc1 251467 YQOKUIPQRHLJTD-UHFFFAOYSA-N 257.333 3.706 0 40 CHAB Cc1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 362111 GBTUZDJNJKIXQL-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB O=C(Nc1ccc(F)cc1F)Nc1cccnc1Cl 393370 NGEXKEBCEMVULN-UHFFFAOYSA-N 283.665 3.657 0 40 CHAB Cc1cc(Cl)nc(SCc2ccccc2)n1 422734 ICSSORBMWQSROY-UHFFFAOYSA-N 250.754 3.731 0 40 CHAB O=C(Cc1ccc(Cl)cc1)N1CCCc2ccccc21 483403 GMJFENSXEHVBPD-UHFFFAOYSA-N 285.774 3.862 0 40 CHAB O[C@@H](Cc1nc2ccccc2s1)C(Cl)(Cl)Cl 510010 ZWEVYWZFCYKBJY-QMMMGPOBSA-N 296.606 3.570 0 40 CHAB Cc1nc(SCc2ccc(F)cc2)nc2c1CCC2 581876 MPNYUWNMINXNGL-UHFFFAOYSA-N 274.364 3.705 0 40 CHAB Fc1ccc(Cc2nc(-c3cccs3)no2)cc1 1421825 XKXHGFFRSCMJQM-UHFFFAOYSA-N 260.293 3.528 0 40 CHAB CCCN(CCC)CC(=O)c1ccc(Br)cc1 1687492 SLKUMCIIZXIUIG-UHFFFAOYSA-N 298.224 3.754 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccc(CN2CCC2)cc1 2514617 XOIMVGWGEOTDDV-UHFFFAOYSA-N 285.774 3.777 0 40 CHAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccccc1Cl 2514908 IGJAAUPLARMXFC-UHFFFAOYSA-N 297.785 3.943 0 40 CHAB COc1ccc(NC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 3256862 WBKVRCSZKOFTIY-SLEUVZQESA-N 292.448 3.806 0 40 CHAB O=C(COC(=O)c1cccc2ccccc12)c1cccs1 3441443 URTNDNZJHFEIIO-UHFFFAOYSA-N 296.347 3.941 0 40 CHAB CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)C 3846282 YOZCVQKUWBRLMA-MIGQKNRLSA-N 282.424 3.852 0 40 CHAB O=C(NC1CCCCC1)C12CC3CC(CC(C3)C1)C2 4031788 AGHAGPWZIKDXLP-UHFFFAOYSA-N 261.409 3.652 0 40 CHAB Cc1ccc2c(c1)cc(C(=O)NCc1ccc(F)cc1)n2C 4749268 HRLRXEYYVCJFTO-UHFFFAOYSA-N 296.345 3.556 0 40 CHAB CC(C)(C)NC(=S)C12CC3CC(CC(C3)C1)C2 5481426 GFDIEZRJAWMZGW-UHFFFAOYSA-N 251.439 3.918 0 40 CHAB CCN(CC)C(=O)NCc1ccc(Cl)cc1Cl 6462685 AKURWCXAVAZETO-UHFFFAOYSA-N 275.179 3.545 0 40 CHAB COc1ccccc1NC(=O)Cn1c(C)cc2ccccc21 6626833 LTBGOWKVOQPKKJ-UHFFFAOYSA-N 294.354 3.597 0 40 CHAB Brc1ccc(-c2nc3cccnc3o2)cc1 7448294 FKJPMLYDQRJPBK-UHFFFAOYSA-N 275.105 3.652 0 40 CHAB C[C@H](Sc1ccccn1)C(=O)N1c2ccccc2C[C@@H]1C 9967669 SXQRTSLCBSUKAJ-STQMWFEESA-N 298.411 3.540 0 40 CHAB C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccco1 10201888 FDACZUCKOYRFJN-VIFPVBQESA-N 287.344 3.772 0 40 CHAB C[C@H]1CCc2noc(NC(=O)c3cccc(Cl)c3)c2C1 11915468 OKFYPYBRWYCXRN-VIFPVBQESA-N 290.750 3.705 0 40 CHAB Cc1oc(-c2ccccc2)nc1CC(=O)NC1CCCCC1 13006802 NMDVDFUIHJJQTM-UHFFFAOYSA-N 298.386 3.641 0 40 CHAB CCOc1ccccc1NC(=O)c1cccc2cccnc12 14198761 QQDXYOYBEHUKKK-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB COc1cc(C)c(CNCCc2cccc(F)c2)cc1C 19721001 ZDQMHKXQBVBCIO-UHFFFAOYSA-N 287.378 3.783 0 40 CHAB CCCCNC(=O)Nc1ccccc1C(F)(F)F 20031825 XNWCHMOEPKSUIL-UHFFFAOYSA-N 260.259 3.627 0 40 CHAB Cc1noc(C)c1CC(=O)Oc1ccc2ccccc2c1 25011511 SCEUVBDHJPEXNB-UHFFFAOYSA-N 281.311 3.593 0 40 CHAB O=C(Nc1cccc2ncccc12)c1c(F)cccc1F 27926226 RBDUELCKVSWCBQ-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB CC(=O)CCSc1ccc(Br)cc1 35017698 LGMSZOCAHRQDEF-UHFFFAOYSA-N 259.168 3.520 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@H]21 35165370 HTLHYTGYDQWPRZ-SUMWQHHRSA-N 282.387 3.963 0 40 CHAB Cc1cc(Br)ccc1NC(=O)N[C@@H](C)C(C)C 40023867 AJGRLLGIGUBPKX-JTQLQIEISA-N 299.212 3.924 0 40 CHAB Cc1ccc([C@@H](O)c2ccc(Br)cc2)cc1F 40243300 PUOBXYCCXDNLLK-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB C[C@@H](NC(=O)NCc1ccco1)c1ccc(Cl)s1 40513530 DZOJZRZAOCNSOE-MRVPVSSYSA-N 284.768 3.555 0 40 CHAB COC(=O)c1ccc(Nc2ccc(C)c(Cl)c2)c(N)c1 41080049 UBDQPRTYGCWWSJ-UHFFFAOYSA-N 290.750 3.761 0 40 CHAB Cc1cc(OCC[C@@H]2CCCNC2)ccc1Br 42770602 XDOCNISWKMYWKZ-LBPRGKRZSA-N 298.224 3.526 0 40 CHAB O=C(c1ccccc1)c1ccc(Br)c(F)c1 43576281 APIDDGDGHQARQV-UHFFFAOYSA-N 279.108 3.819 0 40 CHAB in-vitro FC(F)(F)Oc1cc(Br)ccc1N=S 64220169 VZOGWQJODZRRNN-UHFFFAOYSA-N 286.072 3.710 0 40 CHAB Cc1c(NC(=O)OC(C)(C)C)ccc2c1cc(C=O)n2C 66346220 UXYSTALUFKLVRA-UHFFFAOYSA-N 288.347 3.646 0 40 CHAB Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)no1 67790877 DNKKZCXTHNTAKX-UHFFFAOYSA-N 293.326 3.979 0 40 CHAB COCC[C@@H](C)NC(=O)Nc1ccccc1C(C)(C)C 69808817 RLFKPAZSGITGRZ-GFCCVEGCSA-N 278.396 3.531 0 40 CHAB COC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 70461558 DOTCVCQZIFATAG-UHFFFAOYSA-N 286.718 3.670 0 40 CHAB CC(C)N(c1ncccc1C1=NCCCC1)C(C)C 72213027 NPYFNQXFCWDTDG-UHFFFAOYSA-N 259.397 3.678 0 40 CHAB c1cc(SC2CCCCC2)ncc1[C@@H]1CCCN1 72217223 CCDAXIIBNCZCJU-AWEZNQCLSA-N 262.422 3.931 0 40 CHAB CC(C)(C)[C@H](NC(=O)Nc1cccs1)C(F)(F)F 72306161 WNLCGOKQNRWPHM-QMMMGPOBSA-N 280.315 3.847 0 40 CHAB COc1ccc(CN[C@@H]2C[C@H](C)c3ccccc32)cc1O 78553791 YVFRZIVDPQVFBE-BLLLJJGKSA-N 283.371 3.739 0 40 CHAB C[C@H](C(=O)N1CCCCC1)c1ccc(Cl)s1 89905024 MUMWPUQNORARNO-VIFPVBQESA-N 257.786 3.518 0 40 CHAB Cc1ccc(C(=O)c2ccccc2)cc1Br 95917346 WMBZKWQTGIHMRE-UHFFFAOYSA-N 275.145 3.989 0 40 CHAB Fc1ccc(C2=C[C@@H](c3cccs3)n3ncnc3N2)cc1 100892706 KPFWPBKMFBLXBB-ZDUSSCGKSA-N 298.346 3.535 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)N1CCC[C@@H]1C1CCC1 102952437 PBFJKCNEKJMNSP-CQSZACIVSA-N 280.318 3.761 0 40 CHAB C[C@@H]1[C@@H](NC(=O)/C=C/c2ccccc2)CCC[C@H]1C 107875102 HQWQARFTJUURRA-OTWLUIRFSA-N 257.377 3.641 0 40 CHAB CCCN1c2cc(OC)c(C=O)cc2C(C)=CC1(C)C 113829691 XSOYEPMHIQFYPG-UHFFFAOYSA-N 273.376 3.920 0 40 CHAB O=C(O)c1cc(CCc2ccccc2)nc2ccccc12 146588279 RPHNQBLSVQBAOH-UHFFFAOYSA-N 277.323 3.718 0 40 CHAB CCSc1ccc([C@@H](C)NCc2ccnc(N)c2)cc1 193500923 SGIIZQILTIRDGC-GFCCVEGCSA-N 287.432 3.627 0 40 CHAB O=C(c1cc(F)cc(Cl)c1)C(F)(F)Br 307342687 WFCZHCVKBBTVPE-UHFFFAOYSA-N 287.462 3.650 0 40 CHAB Cc1cc(Cl)cc(-c2[nH]c(C=O)nc2Br)c1 1857794869 OPPWWEHFUSEJCM-UHFFFAOYSA-N 299.555 3.614 0 40 CHAB Oc1cccc(Nc2nc(-c3ccncc3)cs2)c1 88394 VSDCJLKHZQNXGS-UHFFFAOYSA-N 269.329 3.654 0 40 CHAB CCOc1ccccc1C(=O)Nc1cc(C)cc(C)c1 128895 QKXZPGNXWACPAC-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB Clc1ncn(-c2ccc(-c3cc[nH]n3)cc2)c1Cl 161102 AGVRNZYAHGWEBI-UHFFFAOYSA-N 279.130 3.569 0 40 CHAB COC(=O)/C(=C/c1cccc(N)c1)c1ccc(Cl)cc1 1569660 NALGOOKMPXVGJA-XNTDXEJSSA-N 287.746 3.636 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccccc1OCC 2580385 DDUVIBQTGVFQOB-UHFFFAOYSA-N 292.375 3.782 0 40 CHAB c1nc(N2CCCC2)c2c3c(sc2n1)CCCCC3 3267574 QNVWKIAOTVJGOO-UHFFFAOYSA-N 273.405 3.560 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(F)cc1F 3334635 JFGXJIRGWCRNDX-INIZCTEOSA-N 287.309 3.772 0 40 CHAB O=C1CCC[C@H](c2ccc([C@H]3CCCC(=O)C3)o2)C1 3851991 DEMUJGLWNMRSDG-RYUDHWBXSA-N 260.333 3.733 0 40 CHAB biogenic CC[C@@H](NC(=O)c1ccccc1)c1ccc(OC)c(OC)c1 4656330 UGXZKWFUEQBXDM-OAHLLOKOSA-N 299.370 3.585 0 40 CHAB Oc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1 4688507 SAFZMMTWTRFRQE-UHFFFAOYSA-N 284.340 3.965 0 40 CHAB in-vivo CC(=O)OC[C@]12CC[C@](CCC=C(C)C)(C[C@@H]1C)OC2 5377030 AXJOCLMFQAZKPU-BHYGNILZSA-N 280.408 3.871 0 40 CHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCC1 7794146 QCYJJAFVIMVYNW-UHFFFAOYSA-N 286.297 3.510 0 40 CHAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1CCC1 7950804 NLBQKXMBXZRGFF-UHFFFAOYSA-N 283.375 3.501 0 40 CHAB Cc1nc(-c2ccc(CNC(=O)c3ccco3)cc2)cs1 9114314 IJQMIVPMZPLSPI-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)N1CCCCCC1 9885555 UMXOEBVJWOVXNH-UHFFFAOYSA-N 270.376 3.503 0 40 CHAB COc1ccc(Cl)c2sc(N3CCCC3)nc12 12230096 SWWBEZRFUSYQJW-UHFFFAOYSA-N 268.769 3.559 0 40 CHAB COC(=O)c1ccc(COc2ccc(C)c(C)c2)cc1 12345018 NBQKSFFDTFAYSS-UHFFFAOYSA-N 270.328 3.669 0 40 CHAB Cc1ccc2cc(CNc3ccccc3)c(=O)[nH]c2c1C 12492906 AYMRFOQHYFEEIZ-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1c(Cl)cccc1-n1c(S)nnc1CC(C)C 17008717 GVWXCBYHLUIUQC-UHFFFAOYSA-N 281.812 3.716 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1N 19277045 FRRCEBFSLIGZIA-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB Cc1cc(Cl)ccc1Nc1nc(C)c(C(=O)O)s1 20156540 DOVLLMBCQRSWEH-UHFFFAOYSA-N 282.752 3.855 0 40 CHAB Cc1ccc(C(=O)NCCSCc2ccccc2)cc1 20240002 RVECSNADWPYMPT-UHFFFAOYSA-N 285.412 3.658 0 40 CHAB Cc1ccc(NC(=O)Cc2csc(C(C)C)n2)c(F)c1 31676517 SVGZZIUJDZHKNX-UHFFFAOYSA-N 292.379 3.895 0 40 CHAB OCc1c(-c2ccc(Cl)cc2Cl)nc2ccccn12 31920598 GROUJNUTNMDCBA-UHFFFAOYSA-N 293.153 3.800 0 40 CHAB Cc1nc2cc(Cl)cc(Cl)c2cc1C(=O)O 32099473 WBCUCYBGTNOGBW-UHFFFAOYSA-N 256.088 3.548 0 40 CHAB Cc1cc(C(=O)N(C)Cc2ccc(Cl)s2)c(C)o1 32678877 VBFRCQOWBHIIAJ-UHFFFAOYSA-N 283.780 3.884 0 40 CHAB CN[C@H](C)CCc1ccc(OCc2ccccc2)cc1 34821316 OOVZKECGVZRDCQ-OAHLLOKOSA-N 269.388 3.806 0 40 CHAB O=C(COc1ccccc1)c1cccc(Br)c1 35183929 BHVSIVVMWSBDCR-UHFFFAOYSA-N 291.144 3.711 0 40 CHAB Cc1noc(C)c1CN[C@H]1CCC[C@H](C(F)(F)F)C1 35257776 CLNWRRSKWPLHBE-QWRGUYRKSA-N 276.302 3.502 0 40 CHAB CCC(CC)(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)O 35412376 VRCKMONEBNRXKJ-UHFFFAOYSA-N 280.755 3.650 0 40 CHAB in-vitro COC(=O)c1c(O)cccc1CCc1ccc(Cl)cc1 35973634 FAPNXNOCIOBNHD-UHFFFAOYSA-N 290.746 3.617 0 40 CHAB COc1ccc(C)cc1C(=O)CCc1ccccc1 36822698 VHYCKZLDXQKHDR-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB O=C(O)[C@H](Cc1ccccc1)Cc1ccc(Cl)cc1 37653390 SVVHATPUNLVMIE-CQSZACIVSA-N 274.747 3.826 0 40 CHAB Cc1noc(CSC2=Nc3ccccc3CS2)n1 40049392 VCDQAMUKMJNLRF-UHFFFAOYSA-N 277.374 3.546 0 40 CHAB CC[C@@H](C)NC(=O)N1CCCCC[C@@H]1c1ccncc1 42844210 OFTIHUCMCCWQMJ-UKRRQHHQSA-N 275.396 3.507 0 40 CHAB C[C@@H](NC(=O)c1ccccc1)c1ccc2c(c1)CCC2 53387433 QGLOIDLXDSJWOR-CYBMUJFWSA-N 265.356 3.666 0 40 CHAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2nc3ccccc3o2)C1 53573808 RZTYYQXRKGPMMD-QLFBSQMISA-N 299.418 3.669 0 40 CHAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2)cc1 59351884 UEWSUWNUWDNHCC-CZAWJFPGSA-N 281.355 3.586 0 40 CHAB CCN(C(=O)c1ccc[nH]1)[C@@H](C)c1cc2ccccc2o1 60012155 ZOWFCKUMSVAEPA-LBPRGKRZSA-N 282.343 3.984 0 40 CHAB CCN1CCC[C@H]1c1cccnc1N1CCCCCC1 72216694 AGPVEGNGTKERKU-INIZCTEOSA-N 273.424 3.619 0 40 CHAB COc1cc(C)c([C@H]2CCCCN2CC(C)C)cn1 72218039 RQRUZLNFZAGSEI-OAHLLOKOSA-N 262.397 3.582 0 40 CHAB CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccnc(Cl)c1 78933909 VXQWCOKZQARMKH-WCQYABFASA-N 280.799 3.776 0 40 CHAB C[C@H](Sc1ncc2ccccn12)c1cccnc1 79576197 MBSRKSNIXJQOKY-NSHDSACASA-N 255.346 3.583 0 40 CHAB CC(C)CO[C@@H]1C[C@@H](OC(=O)[C@H]2CC=CCC2)C1(C)C 84544340 NUZJKHWOGZJRMY-RRFJBIMHSA-N 280.408 3.726 0 40 CHAB CCOC(=O)Nc1cccc(OCc2nc(C)cs2)c1 88508898 GWRLHXVXFYXDFK-UHFFFAOYSA-N 292.360 3.599 0 40 CHAB Clc1ccc(OCCC2OCCCO2)c(Cl)c1 89064056 ZUCFVAZNIBPWKM-UHFFFAOYSA-N 277.147 3.525 0 40 CHAB Cc1ncsc1C(=O)N(C)C1CCCCCCC1 95957791 YJBWBSJCGLQOGW-UHFFFAOYSA-N 266.410 3.636 0 40 CHAB Cc1ccc([C@@H](NCc2c[nH]nc2C)c2cccs2)cc1 97159366 HYVLALFRFIMKKE-QGZVFWFLSA-N 297.427 3.967 0 40 CHAB O=C1O/C(=C\Nc2ccc(Cl)cc2)c2ccccc21 100329269 JAORPMSELVHRTA-ZROIWOOFSA-N 271.703 3.921 0 40 CHAB O=C(OCc1ncc(-c2ccccc2)o1)[C@H]1C[C@H]2CC[C@H]1C2 105640649 CCXMZUXRRMZVBK-QEJZJMRPSA-N 297.354 3.821 0 40 CHAB CC[C@H](C)C(=O)c1ccc(Br)cc1F 166081187 KEANRHNHVPNCEQ-ZETCQYMHSA-N 259.118 3.817 0 40 CHAB CC(F)(F)c1cccc(NC(=O)NCc2cccnc2)c1 186994011 YCMFJJHPDNDOIU-UHFFFAOYSA-N 291.301 3.515 0 40 CHAB CC(C)CO[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225092763 CTEMAOOVFOCRPT-LBPRGKRZSA-N 291.174 3.662 0 40 CHAB CCCOc1ccc(NC(=O)C(C)(C)OCC)cc1C 225648087 VUABFUCZLFNLEZ-UHFFFAOYSA-N 279.380 3.537 0 40 CHAB Cc1ccc(NC(=O)c2snnc2-c2ccccc2)cc1 225758844 OXNUORCWKBRASF-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB COc1cccc(NC(=S)NC2(C(C)C)CCCC2)c1 225846859 IKFBIOXXEYLUPD-UHFFFAOYSA-N 292.448 3.950 0 40 CHAB O=C(NCc1ccnc(-c2cccs2)c1)[C@H]1CC=CCC1 244975065 IAHKRYPLZOMYKC-AWEZNQCLSA-N 298.411 3.783 0 40 CHAB Fc1ccc(CNCc2cccc(Cl)c2)s1 256052749 OMFDBIYCGHEIFG-UHFFFAOYSA-N 255.745 3.830 0 40 CHAB CC(C)(C)N[PH](C)(NC(C)(C)C)c1ccccc1 301054402 FFCCHNCQNXEHAF-UHFFFAOYSA-N 268.385 3.298 0 40 CHAB COc1cccc2c(Cl)c(-c3ccccc3)c(=O)[nH]c12 160778 NCPSPQCWPZLAQU-UHFFFAOYSA-N 285.730 3.857 0 40 CHAB COc1ccc(CNc2nc3ccccc3s2)cc1 562831 ILLFBWAGYOLYQS-UHFFFAOYSA-N 270.357 3.917 0 40 CHAB CSc1nc(Cc2ccccc2)nc2ccccc12 1352380 RIVUOWCIINQJLR-UHFFFAOYSA-N 266.369 3.943 0 40 CHAB Cc1ccc(OCc2cnc(Cl)s2)c(C)c1 1386823 RAHNIPNQGIYVQS-UHFFFAOYSA-N 253.754 3.992 0 40 CHAB c1ccc(C(Nc2ccccn2)Nc2ccccn2)cc1 2173422 LNDQTONLUKOBNJ-UHFFFAOYSA-N 276.343 3.699 0 40 CHAB CC1(C)COC(CCCCC(=O)c2ccc(F)cc2)OC1 2518058 OLXPDJGEXBILSR-UHFFFAOYSA-N 294.366 3.968 0 40 CHAB Cc1ccc(SCN2C(=O)c3ccccc3C2=O)c(C)c1 2651148 JBFNKMRCLKNYPN-UHFFFAOYSA-N 297.379 3.649 0 40 CHAB Cc1ccc([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)cc1 2784741 WDDIQTCHKILZSD-QWHCGFSZSA-N 277.318 3.863 0 40 CHAB O=C(NCCCc1ccccc1)c1cc2c(s1)CCCC2 6285146 VPBZMDGYQTUYLB-UHFFFAOYSA-N 299.439 3.990 0 40 CHAB CCOc1ccc(C(=O)Nc2ccccc2)cc1OCC 6595951 BABZGAZZHQRNDN-UHFFFAOYSA-N 285.343 3.736 0 40 CHAB O=C(Nc1cccc2ccccc12)N1CCCC[C@@H]1CCO 6864957 HFLCIWHRCGZLAW-OAHLLOKOSA-N 298.386 3.609 0 40 CHAB C[C@@H](Sc1nc(=O)c2ccccc2[nH]1)c1ccccc1 8615998 AXAWQSVIYXGKQL-LLVKDONJSA-N 282.368 3.776 0 40 CHAB CCOC(=O)c1cn2c(-c3ccc(C)cc3)csc2n1 9238657 LKMRNNLBXFNOMG-UHFFFAOYSA-N 286.356 3.548 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccn2C)c1 9721992 GHRRTTFMUJNUAR-MRXNPFEDSA-N 283.375 3.703 0 40 CHAB CCOc1cc(C(=O)Nc2ccc(C)cc2)ccc1OC 10038744 JJQXWDLGAAYQSG-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB Cc1nc(NC(=O)c2ccc3c(c2)CCCC3)sc1C 10590598 NSTVIYZIUCKPSZ-UHFFFAOYSA-N 286.400 3.891 0 40 CHAB Cc1cc2n(n1)[C@@H](c1ccc(O)cc1)Nc1ccccc1-2 13123885 CKGOKJIATFRGOS-KRWDZBQOSA-N 277.327 3.537 0 40 CHAB Cc1cc2n(n1)[C@@H](c1ccsc1)Nc1ccccc1-2 13132422 MXLMWGVMQZOPLG-HNNXBMFYSA-N 267.357 3.892 0 40 CHAB C[C@H]1CCc2sc(C(=O)Nc3ccccc3O)cc2C1 14180154 BRVJKOFNZHQEFH-JTQLQIEISA-N 287.384 3.831 0 40 CHAB O=C(NCc1cccc2ccccc12)NC1CCCCC1 16526291 UHOXRQKOXXUOEI-UHFFFAOYSA-N 282.387 3.972 0 40 CHAB COc1ccc(C)cc1NC(=O)/C=C\c1ccccc1 17023834 BDRJAEBSLQKKKV-LUAWRHEFSA-N 267.328 3.656 0 40 CHAB O=C(NCCSCc1ccccc1)Nc1ccccc1 18173960 WCDTUJUUURMJKM-UHFFFAOYSA-N 286.400 3.742 0 40 CHAB Cc1ccc2c(c1)[C@@H](c1ccc(Cl)cc1)NCC2 19625127 CXXYKWRMHXRPEB-MRXNPFEDSA-N 257.764 3.884 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(C)cc1 20490359 LGMDYDHAWPZVAE-CQSZACIVSA-N 283.371 3.963 0 40 CHAB CC1(C)CCCN(C(=O)CSCc2ccc(F)cc2)C1 20491814 DYUDUQYXNSQUOK-UHFFFAOYSA-N 295.423 3.708 0 40 CHAB Cc1cccc(C(=O)Nc2cc(C)nn2C2CCCC2)c1 28245113 VITSKOPWDRFFLX-UHFFFAOYSA-N 283.375 3.867 0 40 CHAB C[C@H]1CCc2nc(NC(=O)c3ccsc3)sc2C1 37127588 OZNDXIBTHFIWSH-QMMMGPOBSA-N 278.402 3.582 0 40 CHAB C[C@H](NCC[C@H]1CCCO1)c1ccc(Br)cc1 38095376 STZUTWBLZGEWQO-SMDDNHRTSA-N 298.224 3.669 0 40 CHAB CN(C(=O)c1ccsc1)[C@H]1CCc2ccccc21 40489740 RVEMMOQAZCLPAA-AWEZNQCLSA-N 257.358 3.508 0 40 CHAB Fc1ccc([C@H]2CN(c3nc4ccccc4o3)CCO2)cc1 42097965 LLMXEHSQBPLTSZ-MRXNPFEDSA-N 298.317 3.545 0 40 CHAB CCOC(=O)c1cc(Cl)cc(Cl)c1Cl 44200285 BJQAJRQONPXZFM-UHFFFAOYSA-N 253.512 3.824 0 40 CHAB O=C(O)/C=C/c1c(C(F)(F)F)ccc(Cl)c1F 44201160 JYJHPUAODAMZON-DAFODLJHSA-N 268.593 3.596 0 40 CHAB CCc1ccc(Cl)c(CC)c1NC(=O)N(C)C 48301718 XHIVEOJCTZEZML-UHFFFAOYSA-N 254.761 3.558 0 40 CHAB O=C(CSCc1cccc(Cl)c1)N1CCCCC1 50078395 FBCLDMRPTZQDBX-UHFFFAOYSA-N 283.824 3.586 0 40 CHAB C[C@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)C1 65591547 XXQWTMSXVMQLIY-QWRGUYRKSA-N 277.393 3.591 0 40 CHAB CN(C(=O)c1ccsc1)c1cccc2ncccc12 89844706 APJLOBWFNDMEBR-UHFFFAOYSA-N 268.341 3.573 0 40 CHAB Nc1cccc(OCCCC(F)(F)C(F)(F)F)c1 95094038 RUYPOAQYMUFESO-UHFFFAOYSA-N 269.213 3.625 0 40 CHAB Cc1csc(CNc2ccn([C@@H](C)c3ccccc3)n2)n1 95418592 VANCHWLGWVLJRW-ZDUSSCGKSA-N 298.415 3.869 0 40 CHAB CCCc1nccn1-c1ccc(Br)cc1F 95915738 WLPNDCAUFBUFAV-UHFFFAOYSA-N 283.144 3.726 0 40 CHAB CCCCN(CCCC)C(=O)c1cccnc1OCC 96319302 YTSXQHUYMMKSPV-UHFFFAOYSA-N 278.396 3.523 0 40 CHAB CSc1nnc(C)c(/C=C/Nc2ccc(Cl)cc2)n1 100323046 MNOJIDQPSDODIX-BQYQJAHWSA-N 292.795 3.638 0 40 CHAB FC(F)(F)c1cc(Br)c2ncoc2c1 169805269 NIFVANHIAGKCSH-UHFFFAOYSA-N 266.016 3.609 0 40 CHAB CC(=O)Nc1ccc([C@@H](C)NC2CCCCC2)cc1 181913254 SSWOCXZSOOJGAJ-GFCCVEGCSA-N 260.381 3.628 0 40 CHAB CCOc1ncccc1-c1nnc(-c2ccccc2C)o1 216601906 GLXSBYDYBBVTFL-UHFFFAOYSA-N 281.315 3.506 0 40 CHAB CCNCc1cc(C)n([C@H](C)c2ccccc2)c1C 223677378 WAOPHDNTBPDYLM-CQSZACIVSA-N 256.393 3.824 0 40 CHAB O=C(OC1CCCCC1)c1snnc1-c1cccs1 223845442 CDRTUEHFQLMCCT-UHFFFAOYSA-N 294.401 3.756 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COC(C)C 224712995 PPMAQNKOKUAGJW-CYBMUJFWSA-N 293.407 3.539 0 40 CHAB O=C(O)[C@H](Cc1ccccc1)Oc1cccc2ccccc12 225014371 JMGGQEORWGXTCD-SFHVURJKSA-N 292.334 3.915 0 40 CHAB CCCCOc1c(OCC)cc(Cl)cc1C(=O)O 225281542 FBAYFUSAFWGZGB-UHFFFAOYSA-N 272.728 3.616 0 40 CHAB CC(C)C(NC(=S)Nc1ccc(F)cc1)C(C)C 225326570 ZTUIWOQPBQDQOZ-UHFFFAOYSA-N 268.401 3.793 0 40 CHAB CCc1ccc2oc(-c3ccccc3)cc(=NCCO)c2c1 254404584 JJOUUCOXJJDMOH-UHFFFAOYSA-N 293.366 3.555 0 40 CHAB biogenic,in-vitro C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CC[C@H](O)[C@@]12O 257345694 GPRSOKWELPYPCU-LYPURALISA-N 292.463 3.895 0 40 CHAB Cc1cccc(CNC(=S)c2ccc(F)cc2)c1 408573893 PZILUPGSVXZBPD-UHFFFAOYSA-N 259.349 3.599 0 40 CHAB CCCOCc1nn([C@H](C)CC)cc1Br 408715837 FNDOYFACQGFMCD-SECBINFHSA-N 275.190 3.543 0 40 CHAB CCc1ccccc1OCC(=O)N1CCCc2ccccc21 131185 SBJTYDWIEKVERQ-UHFFFAOYSA-N 295.382 3.607 0 40 CHAB COc1ccc(C2=C(c3ccc(OC)cc3)OCCO2)cc1 339320 KGFOYUSSSCIXOP-UHFFFAOYSA-N 298.338 3.576 0 40 CHAB CCN(CC)C[C@H](C)OC(=O)Nc1ccccc1Cl 1668553 MEBCUKJNZWTARW-NSHDSACASA-N 284.787 3.619 0 40 CHAB O=C(NCCC1=CCCCC1)C1(c2ccccc2)CC1 23239212 AQQRXVNSQUGKDZ-UHFFFAOYSA-N 269.388 3.725 0 40 CHAB C[C@H](c1ccccc1)[C@@H]1OC[C@H](c2ccccc2)O1 4723106 HDPAECJQAWSMGH-KBRIMQKVSA-N 254.329 3.904 0 40 CHAB CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)[C@@H]2CCCO2)cc1 6698293 JLUUSXYQFJQHRS-XYPHTWIQSA-N 289.419 3.946 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(C)cc1 6945558 DMGGIBFRHXRCSW-OLZOCXBDSA-N 265.422 3.780 0 40 CHAB CCC(CC)NC(=S)Nc1ccc(Cl)cc1 7571879 AMKKAXQAYMVLRM-UHFFFAOYSA-N 256.802 3.815 0 40 CHAB CCOc1ccccc1NC(=O)c1cn(C)c2ccccc12 12595120 XAFXEWNOVRBRPJ-UHFFFAOYSA-N 294.354 3.829 0 40 CHAB Clc1ccc(Sc2cnns2)cc1Cl 1385521 JHDWLRLGSFKWMX-UHFFFAOYSA-N 263.174 3.996 0 40 CHAB CC1=CC2=N[C@@](c3ccccc3)(C(C)(C)C)NC(=O)N2C=C1 28294333 XCDOQDSBYZIZCQ-GOSISDBHSA-N 295.386 3.783 0 40 CHAB Cc1cc(F)ccc1[C@@H](O)c1cccc(Br)c1 55201585 NRJLVYKCCHZOCV-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB CCCCCNC(=O)[C@H](CC)Oc1cc(C)ccc1C 20035594 COQCECPRMLQPGY-HNNXBMFYSA-N 277.408 3.767 0 40 CHAB CCN(C(=O)c1cccc(C)n1)c1nc2ccccc2s1 12866481 DPXJUKIYJZKHLH-UHFFFAOYSA-N 297.383 3.666 0 40 CHAB COc1cccc(CCC(=O)c2ccc(F)cc2)c1 2516510 LPJOXPQQLGLIIH-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB c1ccc(CCNCc2c[nH]c3ccccc23)cc1 19371394 MQFWXPWDWUNDLQ-UHFFFAOYSA-N 250.345 3.500 0 40 CHAB c1ccn2cc(C34CC5CC(CC(C5)C3)C4)nc2c1 4137175 UPHAIQRWKAVTEH-UHFFFAOYSA-N 252.361 3.802 0 40 CHAB CSc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 13737209 GIDSVIDBZDGERN-NSHDSACASA-N 264.394 3.672 0 40 CHAB CCc1ccc(OCCNc2ccc(F)cc2)cc1 19737679 RBFPLLHFDJTRHA-UHFFFAOYSA-N 259.324 3.879 0 40 CHAB C[C@@H](NC(=O)c1ccncc1)c1ccc2ccccc2c1 9366726 ABANJZFMBJXNJT-CYBMUJFWSA-N 276.339 3.726 0 40 CHAB Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1C1CC1 14214705 BEZJNNNHPDBJHW-UHFFFAOYSA-N 293.370 3.672 0 40 CHAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccccc1 6977852 JHYGYFDBASLVNA-SFHVURJKSA-N 288.350 3.601 0 40 CHAB O=C(Cn1c(Cl)nc2ccccc21)c1ccc(F)cc1 7453658 FVKNHBCYCUPOBU-UHFFFAOYSA-N 288.709 3.712 0 40 CHAB Cc1ccc(C(=O)OCc2nc3ccccc3o2)s1 8449091 USWZVQAEKTWGMW-UHFFFAOYSA-N 273.313 3.555 0 40 CHAB CCn1ccnc1S[C@H](C)C(=O)c1cc(F)ccc1F 69538925 OBMFNACGZLJJFY-SECBINFHSA-N 296.342 3.545 0 40 CHAB COc1ccccc1NC(=O)NC[C@H](C)c1ccccc1 18180627 DHXQDOOPPQISKF-ZDUSSCGKSA-N 284.359 3.620 0 40 CHAB CCOc1ccc(C(=O)O)cc1COc1ccccc1C 24548898 KBMXWSBRRQHNQP-UHFFFAOYSA-N 286.327 3.671 0 40 CHAB Cc1cc2c(s1)CCc1cc(C(=O)O)sc1-2 9777198 OPUHVOSVZOTRAV-UHFFFAOYSA-N 250.344 3.582 0 40 CHAB C[C@H](NCC1CCC1)c1ccc(-c2cncnc2)cc1 95985829 RZGSMLUQSYVKFN-ZDUSSCGKSA-N 267.376 3.594 0 40 CHAB CCCOc1cc2oc(C(=O)O)cc2cc1Cl 72219749 KRDVDSLPJCJHFV-UHFFFAOYSA-N 254.669 3.573 0 40 CHAB CSc1ncccc1[C@H]1CCCCN1C(C)C 72216961 ZSXAXJUGCFLXHX-CYBMUJFWSA-N 250.411 3.739 0 40 CHAB Cc1nnc(CN(C)[C@H](c2ccccc2Cl)C(C)C)o1 79097387 WJGYNXSJZGKMTR-HNNXBMFYSA-N 293.798 3.861 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 44964010 ZXSWTMLNIIZPET-IDOBQSHNSA-N 288.431 3.879 0 40 CHAB Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)C2CC2)cc1 45495264 BKHDJPQLHAIKHL-UHFFFAOYSA-N 297.373 3.868 0 40 CHAB Cc1ccc(O[C@H](Cc2cccc(Cl)c2)C(=O)O)cc1 225058256 ROVUHDSUBJWEJP-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB Nc1ccc(-c2nc(-c3cccs3)no2)c(Cl)c1 42417692 NMIQWSMSVAFXID-UHFFFAOYSA-N 277.736 3.701 0 40 CHAB Cc1cccc(NC(=O)c2conc2-c2ccccc2)c1 225870821 QMXMTDVEEKRTAH-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB CCc1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1 224352390 ISIRWFMODFSRKJ-AWEZNQCLSA-N 267.372 3.669 0 40 CHAB Nc1cc(Br)cc(Cl)c1N1CCCCC1 45958951 BJADULBHLOGZEY-UHFFFAOYSA-N 289.604 3.675 0 40 CHAB Cc1ccc(O[C@@H](Cc2c(C)cccc2C)C(=O)O)cc1C 225031788 UQCJMLYKUSFBGR-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CC[C@H](C)[C@@H](NC(=O)c1ccco1)c1nc2ccccc2[nH]1 47173893 SHPREZPCIRDNRU-XHDPSFHLSA-N 297.358 3.673 0 40 CHAB CC[C@@H](C)Oc1ccc([C@@H](C)NCCCOC)cc1 225170036 WOOPXKSILOWVOP-ZIAGYGMSSA-N 265.397 3.551 0 40 CHAB CCCOC(=O)c1ccc2[nH]c(-c3cccc(F)c3)nc2c1 85398389 CAILJSZFRQQWJA-UHFFFAOYSA-N 298.317 3.936 0 40 CHAB Cc1cccc(NC(=O)CC2(n3cccc3)CCCCC2)n1 95480315 FRBJBYZNBANOLP-UHFFFAOYSA-N 297.402 3.880 0 40 CHAB O=C(Nc1ccccn1)N1CCC[C@@H]1CCc1ccccc1 67538929 DJXMINSJWKDCDB-MRXNPFEDSA-N 295.386 3.711 0 40 CHAB CCc1cc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)ncn1 1776001900 QSNSNIIFNIEEQG-HOTGVXAUSA-N 269.392 3.651 0 40 CHAB O=Cc1cc2cc(Cl)cc(Br)c2o1 83815249 IHMHMIMGGMJCFH-UHFFFAOYSA-N 259.486 3.661 0 40 CHAB COC(=O)C[C@@H](C)SCc1coc(-c2ccccc2)n1 78812550 WDDZPMUFJRPMIX-LLVKDONJSA-N 291.372 3.526 0 40 CHAB Cc1nc(CCN[C@H]2CCSc3ccccc32)cs1 89712385 VVVPPFMOPIERBS-AWEZNQCLSA-N 290.457 3.821 0 40 CHAB CC[C@@H](C(=O)NCc1ccccc1F)c1ccccc1 5630869 LXAGTOOOCQVLCC-OAHLLOKOSA-N 271.335 3.636 0 40 CHAB O[C@@]12CCCC[C@@H]1[C@@]1(O)CCCC[C@@H]1C1(CCCCC1)O2 12436942 GATCEJCAKDSFNO-JOCBIADPSA-N 294.435 3.520 0 40 CHAB CC[C@@H](CNC(=O)c1cc(F)ccc1F)c1ccccc1 15576489 STUZDXACGAZRLW-LBPRGKRZSA-N 289.325 3.888 0 40 CHAB S=C(Nc1ccccc1)Nc1ccc(S)cc1 16490021 XMEHXUJJFJOGAZ-UHFFFAOYSA-N 260.387 3.784 0 40 CHAB Fc1cc(F)cc(NC(=S)Nc2ccccc2)c1 17515622 UAELOGHCEOLYFU-UHFFFAOYSA-N 264.300 3.774 0 40 CHAB [O-][n+]1ccccc1SCc1cccc2ccccc12 163496 DTUBZUWCDNLZEQ-UHFFFAOYSA-N 267.353 3.766 0 40 CHAB CC(C)(C)c1cc2nc(C(F)(F)F)cc(Cl)n2n1 2556081 VYAQQNNHHQAUEL-UHFFFAOYSA-N 277.677 3.699 0 40 CHAB Nn1cc(-c2ccccc2)nc1SCc1ccccc1 4251982 JYOGUWHIGQOGPD-UHFFFAOYSA-N 281.384 3.556 0 40 CHAB CCCn1c(NC(=O)c2cccs2)nc2ccccc21 4900585 JUBXVYPXOOBSCT-UHFFFAOYSA-N 285.372 3.760 0 40 CHAB Cc1cccc(NC(=O)N(C)Cc2ccsc2)c1 9218516 QPVBTVZEKQNKBQ-UHFFFAOYSA-N 260.362 3.720 0 40 CHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cccs1 12623770 IDAXSKJCUONZSS-UHFFFAOYSA-N 285.290 3.697 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccnc1 32787277 QIHZGLIXZBXKSH-NSHDSACASA-N 274.751 3.568 0 40 CHAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n(C)n1 12443961 RSKCWNDTNKBWLG-UHFFFAOYSA-N 291.354 3.648 0 40 CHAB CCCn1c(C)cc(/C=C/C(=O)Nc2ccncc2)c1C 32726116 BIPWCPCCSFUZCF-AATRIKPKSA-N 283.375 3.562 0 40 CHAB Cc1cccc(C(=O)O[C@H](C)CN2[C@H](C)CCC[C@H]2C)c1 103657162 CDLAWMHMQXCIAA-BZUAXINKSA-N 289.419 3.803 0 40 CHAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1OC 43178 LVGMUNFAQTXXSS-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB biogenic,in-vitro Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3)sc2n1 84497 RSGIEJAVCYAYCA-UHFFFAOYSA-N 297.383 3.748 0 40 CHAB CC(=O)N(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 1595380 KCWSDSVUSYVFKP-UHFFFAOYSA-N 283.224 3.928 0 40 CHAB C[C@]12CCO[C@H]1N(c1ccccc1)c1ccccc12 2475164 LYEMDWOVMXRHTL-IAGOWNOFSA-N 251.329 3.842 0 40 CHAB CC(C)(C)C(=O)c1ccc(Br)cc1F 2514249 NJJKAZPFOKVHKI-UHFFFAOYSA-N 259.118 3.817 0 40 CHAB CC(C)CCNC(=O)CSc1nc2ccccc2s1 2625204 CCPNDSGKYPSRIK-UHFFFAOYSA-N 294.445 3.551 0 40 CHAB CC(=O)CCCCCCCCCC[C@H]1CC[C@H](O)[C@@H]1O 4727027 VOFBBQZXUQXUQN-YESZJQIVSA-N 284.440 3.608 0 40 CHAB in-vitro Cc1cc2ccccc2nc1SCCN1CCCC1 4858628 GNSKSDORBKQBTM-UHFFFAOYSA-N 272.417 3.731 0 40 CHAB CCN(CC)CCSc1ccc(-c2ccccc2)nn1 5410516 KQMANHLTJYUAAK-UHFFFAOYSA-N 287.432 3.578 0 40 CHAB CCCNC(=O)CC(c1ccccc1)c1ccccc1 5430911 WITOKBMRDAVRIU-UHFFFAOYSA-N 267.372 3.735 0 40 CHAB O=c1oc2ccccc2c2c1S[C@H](c1ccncc1)C2 5487142 XOZGNWLANISQOQ-AWEZNQCLSA-N 281.336 3.578 0 40 CHAB CCOC(=O)CCCSc1nc2ccccc2s1 5598181 RAZXUTAKYGZIIE-UHFFFAOYSA-N 281.402 3.732 0 40 CHAB CC1CCC(NC(=O)c2ccc(Cl)cc2)CC1 6263612 VVRWNAOHFRGRRI-UHFFFAOYSA-N 251.757 3.649 0 40 CHAB O[C@H](CN1CCCCC1)c1cc(Cl)cc(Cl)c1 6524438 NWESNANXXUZJMA-CYBMUJFWSA-N 274.191 3.513 0 40 CHAB O=C(NC1CCCC1)c1cc2cc(Cl)ccc2o1 8076394 WXVHJCDGEKIWKR-UHFFFAOYSA-N 263.724 3.759 0 40 CHAB FC(F)(F)c1ccc(CNc2cccnc2)cc1 8699766 XVOWPUGARVCBQF-UHFFFAOYSA-N 252.239 3.713 0 40 CHAB O=C(Nc1cccc2c1CCCC2)c1n[nH]c2ccccc12 12777244 DLXSIZMBORWFGZ-UHFFFAOYSA-N 291.354 3.694 0 40 CHAB CC[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 13958012 VKTKPHRJSNJMIZ-ZDUSSCGKSA-N 279.343 3.695 0 40 CHAB COc1ccc(S[C@@H](C)C(=O)N(C)C2CCCC2)cc1 20040150 BXSRPRCJFGJTRP-LBPRGKRZSA-N 293.432 3.577 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl 20395262 RVIXBZIDFLJTIV-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB COc1ccc([C@@H](CN(C)C)C2CCCCC2)cc1 22056023 RELISZWQPGCXDE-KRWDZBQOSA-N 261.409 3.921 0 40 CHAB in-vitro O=C([C@H]1CC=CCC1)N1CCc2[nH]c3ccc(F)cc3c2C1 25528784 HUHYVFWDPGDYTI-LBPRGKRZSA-N 298.361 3.548 0 40 CHAB Cc1cccc(CNC(=O)Cn2c(C)cc3ccccc32)c1 31108826 PGNDKVCBMHHQJE-UHFFFAOYSA-N 292.382 3.575 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)CCC2 32829197 AZRABXWCXXNBRX-CQSZACIVSA-N 279.383 3.975 0 40 CHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccccn2)c1C 32942908 JZMLIDQYPADNFD-UHFFFAOYSA-N 297.354 3.566 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)[C@H](C(=O)c2ccccc2)C1=O 37866686 VPTKSNILIUZETI-BPLDGKMQSA-N 258.361 3.757 0 40 CHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)cc2C)c1 41091169 IGTYJHDHQKOKON-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB O=C(c1ccco1)N(Cc1ccsc1)CC(F)(F)F 44447433 FQSCKBUZCGHRMZ-UHFFFAOYSA-N 289.278 3.546 0 40 CHAB COc1cccc(C(=O)c2ccccc2C(F)(F)F)c1 45028459 WQZSMLMYENLCMO-UHFFFAOYSA-N 280.245 3.945 0 40 CHAB Cc1ccccc1[C@@H]1CCCN1Cc1nnsc1Cl 48236915 AHFODSNXHWZQLH-ZDUSSCGKSA-N 293.823 3.837 0 40 CHAB NC(=S)c1ccc(-c2ccc(Cl)cc2Cl)o1 49866112 CROBWHWXNXWJHQ-UHFFFAOYSA-N 272.156 3.888 0 40 CHAB C[C@@H]1CCCN(c2nnc(Cl)c3ccccc23)C1 50529043 UJULMRPICBATFV-SNVBAGLBSA-N 261.756 3.520 0 40 CHAB CC(C)C1=N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc21 66074367 LTQGBCNWEKABKI-KRWDZBQOSA-N 292.382 3.695 0 40 CHAB CC(C)N1CCCC[C@@H]1c1ccc(Br)nc1 72211573 ADWQZXPIZNYYMW-GFCCVEGCSA-N 283.213 3.780 0 40 CHAB CC(C)N(c1ncccc1[C@@H]1CCCCN1C)C(C)C 72213030 YMWDGNHZDNMBEL-INIZCTEOSA-N 275.440 3.862 0 40 CHAB CC(C)c1ccc(CN(C(=O)[C@@H]2C[C@@H]2C)C2CC2)cc1 72753729 WUPIRIUYUUQDCQ-SUMWQHHRSA-N 271.404 3.957 0 40 CHAB O=C(Nc1cc(Cl)ccn1)c1ccc(Cl)cc1 75283557 QUJKUVPMEADETA-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB CC(C)CNC(=O)Cc1ccc(-c2ccccc2)cc1 75402876 RZYICLRFJPKCSL-UHFFFAOYSA-N 267.372 3.668 0 40 CHAB Cc1cc(NC(=O)N2CCCCC[C@@H]2c2ccco2)no1 76937569 FUIPDMKFFGWRNN-GFCCVEGCSA-N 289.335 3.725 0 40 CHAB CC(C)c1nc(CNCc2cccc(N(C)C)c2)cs1 78552639 KVRZXYVJJUTGCY-UHFFFAOYSA-N 289.448 3.622 0 40 CHAB OCCc1ccc(NCc2cc3cc(F)ccc3o2)cc1 86257155 ITRUYSKLXOBXOW-UHFFFAOYSA-N 285.318 3.719 0 40 CHAB Cc1cc(NCCCN2CCCCC2)c2ccccc2n1 89583187 NCMKNTLGCPBCPD-UHFFFAOYSA-N 283.419 3.831 0 40 CHAB CCCc1cc(C(=O)N[C@H](CC)[C@H]2CCCO2)sc1C 89960445 DNOAOLNRBMLMCM-ZIAGYGMSSA-N 295.448 3.696 0 40 CHAB O=C(NCCc1ccoc1)c1ccc(Cl)c(Cl)c1 90607397 SNIIORQCSDZRRB-UHFFFAOYSA-N 284.142 3.559 0 40 CHAB O=C(O)CC12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 95218209 SLUXYLRGKSQUCW-LRSDLPTKSA-N 262.271 3.610 0 40 CHAB CSc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C3)cc1 95369452 JFRNWAIUDVATMO-UHFFFAOYSA-N 298.411 3.606 0 40 CHAB C[C@@H]1CCCN(c2cccc(Br)c2)C1 95915515 XACVYJXATVSXFN-SNVBAGLBSA-N 254.171 3.685 0 40 CHAB CNc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)nn1 96138592 JSXCPQNMRVGCNG-QPJJXVBHSA-N 279.265 3.708 0 40 CHAB FC(F)(F)[C@@H](Cc1ccncc1)NC[C@H]1CC=CCC1 96476731 JTXOERXOJMBTDM-UONOGXRCSA-N 284.325 3.501 0 40 CHAB COc1ccccc1C[C@H](C)N[C@@H](C)c1ncc(C)s1 96479084 GCKOMLZPWFBVLY-AAEUAGOBSA-N 290.432 3.742 0 40 CHAB Cc1cc(Cl)ccc1Nc1ccc(C(=O)O)cc1N 98134957 ICVGXXXAGWPZCM-UHFFFAOYSA-N 276.723 3.672 0 40 CHAB C[C@]1(CN2CCCCC2)OCc2ccccc2-n2cccc21 98174885 UFDDQJVAUAWCHY-LJQANCHMSA-N 296.414 3.709 0 40 CHAB CC(=O)Nc1c(C)cc(Br)cc1C(C)C 98181622 QWBZRGMQDOXOKV-UHFFFAOYSA-N 270.170 3.839 0 40 CHAB CCCCC[C@@H]1OC[C@]2(CO)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 100648930 KWAQTWWTBCDMPK-XAJHFOFHSA-N 266.425 3.793 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 103294829 GVIATXQHBRZLRV-JKQORVJESA-N 271.404 3.858 0 40 CHAB Clc1ccc(-c2cnc(-c3ccncc3)[nH]2)cc1 216625571 QAFRHCNENNHHJF-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB Clc1nc([C@@H]2CCCO2)nc2c1oc1ccccc12 217685446 HELRCJRWESLSOG-JTQLQIEISA-N 274.707 3.881 0 40 CHAB Cc1cc(C)cc(C[C@H](Oc2ccccc2C)C(=O)O)c1 225035982 SAYHUMKYFGHPGQ-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CCCCc1ccc(C[C@H](C(=O)O)N2CCCCC2)cc1 225149926 KOZVBPXYLVMWKG-QGZVFWFLSA-N 289.419 3.511 0 40 CHAB CCCCNC(=S)Nc1cccc(OC(C)C)c1 225374321 MZBRJOMOAFFMGI-UHFFFAOYSA-N 266.410 3.560 0 40 CHAB CC(C)n1nc(C2CC2)cc1CNCc1ccc(F)cc1 256054623 XBMDPZAQKGCCAR-UHFFFAOYSA-N 287.382 3.770 0 40 CHAB Cc1nc2cc(NC(=O)N(C)c3ccccc3)ccc2o1 409139965 CEXQOOXNIOLHAU-UHFFFAOYSA-N 281.315 3.805 0 40 CHAB O=C(Oc1ccc(Cl)c2cccnc12)c1ccco1 78754 ANWBJZCIAVOROI-UHFFFAOYSA-N 273.675 3.700 0 40 CHAB CCC[C@@H](C)C(=O)Nc1ccc(Br)cc1F 457008 LYOIORWCXMJPHK-MRVPVSSYSA-N 288.160 3.963 0 40 CHAB CC[C@@H](C)C(=O)Nc1ncc(-c2ccccc2)s1 47542222 NPXOUOJNOJHOHB-SNVBAGLBSA-N 260.362 3.795 0 40 CHAB COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 3151739 UZMVKPJKDSFINV-UHFFFAOYSA-N 294.354 3.748 0 40 CHAB CNC[C@@H]1c2ccccc2CSc2c(OC)cccc21 1584863 QUMQGGVPNQOFAT-OAHLLOKOSA-N 285.412 3.652 0 40 CHAB C[C@@H]1O[C@](C)(c2ccc(Cl)cc2)OCC1(C)C 1689341 VHDIAVQIUIBCRU-IINYFYTJSA-N 254.757 3.974 0 40 CHAB O=C1CCc2cc3c(cc21)CC1(Cc2ccccc2C1)C3 1855590 ISLTYRHFOQTLHD-UHFFFAOYSA-N 274.363 3.699 0 40 CHAB CCCNc1nnc(-c2ccc(Cl)cc2)s1 4992735 WQVHEKNFKYLKGU-UHFFFAOYSA-N 253.758 3.680 0 40 CHAB Cc1nc(CC(=O)Nc2ccc(Cl)cc2C)cs1 7995556 HKZSTSBUVHMJGC-UHFFFAOYSA-N 280.780 3.595 0 40 CHAB CC(=O)O[C@H](c1ccccc1)[C@H](OC(C)=O)c1ccccc1 1590068 YERNEDFODXSYDP-QZTJIDSGSA-N 298.338 3.595 0 40 CHAB Nc1ccc(-c2nc3c(ccc4ccccc43)o2)c(O)c1 59098374 NEKMBXGXANOPDN-UHFFFAOYSA-N 276.295 3.936 0 40 CHAB CC(=O)c1c(Nc2c(C)cc(C)cc2C)oc(C)cc1=O 27525512 ANYUQICKMNOSQT-UHFFFAOYSA-N 285.343 3.820 0 40 CHAB Cc1ccc(CC(=O)N[C@@]2(C)CCCc3ccccc32)cc1 58330074 WLDWWIZLLPNATP-FQEVSTJZSA-N 293.410 3.905 0 40 CHAB CCCCCCOC(=O)c1ccc(NC(=O)CC)cc1 2755890 CQRSZKXVGMBNGS-UHFFFAOYSA-N 277.364 3.772 0 40 CHAB COc1ccc(Cl)cc1-c1nnc(-c2ccoc2C)o1 2729548 BYWMIFDIOBZNDA-UHFFFAOYSA-N 290.706 3.967 0 40 CHAB CSc1nc2ccccc2c2nc(-c3ccccc3)nn12 13625270 RGNCTJNWZODMQF-UHFFFAOYSA-N 292.367 3.666 0 40 CHAB CN(C)c1cc[n+](C2c3ccccc3-c3ccccc32)cc1 6051335 JHDWSHVMNUNXHY-UHFFFAOYSA-N 287.386 3.658 0 40 CHAB O=C(NC(C1CC1)C1CC1)c1ccc(C(F)(F)F)cc1 23352789 XVGQVGFQAXZMOY-UHFFFAOYSA-N 283.293 3.624 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H]1C 6113836 KKOHVEHWRFJRGR-GPCCPHFNSA-N 267.319 3.519 0 40 CHAB CSc1ccc(CNc2nc3ccccc3[nH]2)cc1 83514648 ZEUIQQVVQSITIW-UHFFFAOYSA-N 269.373 3.897 0 40 CHAB CCCCCc1ccc(Nc2cn[nH]c(=O)c2Cl)cc1 7735876 MOKBXVASNOHIQT-UHFFFAOYSA-N 291.782 3.900 0 40 CHAB Cc1ccc(CNc2ncnc3sccc23)cc1 7982077 BUYRDFZTGHQAJP-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB Cc1cc(C)cc(-n2c(S)nnc2-c2ccoc2C)c1 17009500 XEWYIWJPKAFYFQ-UHFFFAOYSA-N 285.372 3.741 0 40 CHAB Cc1ccc(C)c([C@H](C)N[C@H](C)Cc2ccncc2)c1 97017220 YYCYGAYKZMTBML-CVEARBPZSA-N 268.404 3.980 0 40 CHAB COc1ccccc1NC(=O)N[C@@H]1CCc2ccccc21 44845674 YKSSOPPTZHBLFB-CQSZACIVSA-N 282.343 3.504 0 40 CHAB O=C(O)c1cc(-c2ccccc2)sc1-n1cccc1 3844213 BTZJEVCGRMCCHO-UHFFFAOYSA-N 269.325 3.904 0 40 CHAB biogenic CCOc1ccccc1CNC(=O)/C=C/c1ccc(F)cc1 38752194 RXWRFKVBBCKDAV-FMIVXFBMSA-N 299.345 3.554 0 40 CHAB CCc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)C2CC2)cc1 79219124 UYXSWACHQABSDS-STQMWFEESA-N 274.408 3.750 0 40 CHAB CCOc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72211769 BEERZAFPMBKYJD-QGZVFWFLSA-N 282.387 3.817 0 40 CHAB C[C@@H](CN1CCCCC1)Nc1nc2ccccc2s1 47873392 FKMDFAOYUGNJPD-LBPRGKRZSA-N 275.421 3.583 0 40 CHAB O=C(O)CCCCCC(=O)c1c(F)cccc1Cl 43214179 JOBXTKDTAXOXPX-UHFFFAOYSA-N 272.703 3.697 0 40 CHAB CC[C@H](C)n1c(CO)ccc1CCc1ccccc1 226028465 IKIANXGPRYBKNG-AWEZNQCLSA-N 257.377 3.737 0 40 CHAB Cc1cc([C@H](NC2CCOCC2)C(C)C)c(C)s1 95422323 HAKQZINWJOSCRU-OAHLLOKOSA-N 267.438 3.831 0 40 CHAB CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCO[C@@]2(CCSC2)C1 248427391 PCTABRSVSCXOCC-NXOAAHMSSA-N 295.492 3.623 0 40 CHAB CCCC(=O)Nc1cccc(NC[C@H]2CCC=CO2)c1 252508389 XMMFKABPDLGMQR-OAHLLOKOSA-N 274.364 3.530 0 40 CHAB CC[C@@H](c1ccccc1)c1n[nH]c(-c2cccc(O)c2)n1 642882505 FMAAWVDFTQVTER-HNNXBMFYSA-N 279.343 3.719 0 40 CHAB CC(C)NC(=S)N[C@H](c1cccs1)C1CCCC1 44079682 UISVXZFYDKUMID-ZDUSSCGKSA-N 282.478 3.852 0 40 CHAB Clc1ccc(OCCCOc2ccncc2)cc1 516234038 NHPADQUQDFZSGH-UHFFFAOYSA-N 263.724 3.583 0 40 CHAB Cc1cscc1S(=O)(=O)c1ccc(Cl)cc1 125070 BTQFGBGTXZGTPE-UHFFFAOYSA-N 272.778 3.543 0 40 CHAB C=Cc1ccc(O[C@H](C)OCC)c(O[C@@H](C)OCC)c1 146267134 XVPZIOWIVKQPLK-OLZOCXBDSA-N 280.364 3.852 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(F)cc2)c(C)c1 5268122 IHKYQLHDWQSYRU-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB Clc1ccc(-c2cn3nc(Cl)ccc3n2)cc1 15020273 HYSPSPQAXIZJPJ-UHFFFAOYSA-N 264.115 3.703 0 40 CHAB CC(C)C[C@@H]1CCCCCN1Cc1ccc(C(=O)O)o1 516872859 RSCNQGUCAIBEKE-ZDUSSCGKSA-N 279.380 3.769 0 40 CHAB CN(C(=O)c1ccc(-c2cccc(N)c2)o1)C1CCCCC1 226303683 HGXSERPSSHTMNX-UHFFFAOYSA-N 298.386 3.934 0 40 CHAB Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)s1 3571314 GERDZPCBYDONGC-UHFFFAOYSA-N 299.351 3.578 0 40 CHAB Cc1ncccc1CN1CC[C@@H](C(F)(F)F)C1(C)C 334435028 YUPCQDFNDOALNZ-GFCCVEGCSA-N 272.314 3.553 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O 4081940 VMYTXBKVYDESSJ-KQHFAPEESA-N 288.431 3.879 0 40 CHAB biogenic CCc1nc2cc(C(=O)O)ccc2n1C1CCCCC1 37309748 WVESMRDTHNVPDD-UHFFFAOYSA-N 272.348 3.802 0 40 CHAB O=C(N[C@H](c1ccccc1)c1cccs1)c1ccncc1 20018046 PHBLAQQQHFNEKX-MRXNPFEDSA-N 294.379 3.663 0 40 CHAB Cc1cccc(C2=N/C(=C/c3cccc(Cl)c3)C(=O)O2)c1 177221 FJPXJCSHQLXKNE-XNTDXEJSSA-N 297.741 3.993 0 40 CHAB Cc1ccc2c(C(=O)CNc3nccs3)c(C)[nH]c2c1 117568 FVCNCKASPXIQQS-UHFFFAOYSA-N 285.372 3.536 0 40 CHAB Cc1ccc(-c2cc(C(F)(F)F)c3cnn(C)c3n2)cc1 20604869 MDOADGGFKCSBMJ-UHFFFAOYSA-N 291.276 3.963 0 40 CHAB O=C(O)[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2 101419680 YQJWERNTXSCVRQ-HUBLWGQQSA-N 264.752 3.774 0 40 CHAB in-vitro Cc1cccc2sc(NC(=O)CCc3ccco3)nc12 32994686 BVHKOUKEEBJJGB-UHFFFAOYSA-N 286.356 3.769 0 40 CHAB CC(C)(C)c1ccc(Cn2c(N)nc3ccccc32)cc1 438899 RHIXFPLWWKESHT-UHFFFAOYSA-N 279.387 3.964 0 40 CHAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NCc1ccccc1 42001 VGEGJYBLUKXPBR-AAEUAGOBSA-N 298.213 3.894 0 40 CHAB CCO[P@](=O)(CC(=O)c1ccccc1)c1ccccc1 520088 MTDWPJWDQAEDMU-HXUWFJFHSA-N 288.283 3.509 0 40 CHAB Cc1ccccc1NC(=O)C(Cl)=C(Cl)Cl 1385745 IXHHZWGXDQADMO-UHFFFAOYSA-N 264.539 3.819 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(F)cc1 1457085 UIAGTYCOSSLTBW-CQSZACIVSA-N 285.362 3.506 0 40 CHAB CCCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1664840 WPONIRRKFDYIEL-ZWKOTPCHSA-N 269.388 3.851 0 40 CHAB O=C(c1cccc(Cl)c1)c1cccc(CN2CC=CC2)c1 2515393 AMLYXFWSPUNDKP-UHFFFAOYSA-N 297.785 3.943 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccccc2C)cc1 3292484 ZGCMTPCPBBPSHJ-CQSZACIVSA-N 268.360 3.743 0 40 CHAB Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc(F)cc1 3885768 PZWFKHRCXBIDHA-UHFFFAOYSA-N 286.258 3.738 0 40 CHAB CSc1ccc(C(=S)N2CCCCCC2)cc1 4723640 KRVRTVYQCMLYKV-UHFFFAOYSA-N 265.447 3.960 0 40 CHAB COc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1 5049533 VVGNCXHIYNHBOD-UHFFFAOYSA-N 288.346 3.960 0 40 CHAB Cc1ccc(-c2cn3nc(C4CC4)sc3n2)cc1 5182414 ISPOELUGQURWBX-UHFFFAOYSA-N 255.346 3.644 0 40 CHAB Cc1nc(NC2CCCC2)c2c3c(sc2n1)CCC3 5937871 GLJOQBLEUOJOLK-UHFFFAOYSA-N 273.405 3.843 0 40 CHAB Clc1ccc(CN2CCNc3ccccc32)cc1 8699832 BBUISTLFRJCTES-UHFFFAOYSA-N 258.752 3.772 0 40 CHAB Cc1occc1C(=O)Nc1ccc(C)c2ncccc12 12903793 KMDGWQNXDQLJQY-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB Cc1ccc2cccc(OC(=O)COc3ccccc3)c2n1 13004334 YKCPXFOCUBLVDY-UHFFFAOYSA-N 293.322 3.528 0 40 CHAB CCCOc1ccccc1NC(=O)c1ccsc1 14136678 VHMSWWZTSXQHEB-UHFFFAOYSA-N 261.346 3.789 0 40 CHAB COc1cc(CO)cc(Cl)c1OCc1cccc(F)c1 20377481 WBLUHKRJQKFADC-UHFFFAOYSA-N 296.725 3.559 0 40 CHAB O=C(Nc1noc(-c2ccccc2)n1)c1ccccc1Cl 21800294 STEYLMZENNQNKA-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB C[C@@H](NC(=O)CCc1cc2ccccc2o1)c1cccnc1 22763927 LQLKVDVVGPZDNO-CYBMUJFWSA-N 294.354 3.638 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)o1 37976476 SVLVIVAUODDYFC-LLVKDONJSA-N 268.316 3.560 0 40 CHAB O=C(CCSc1ccccc1)NCc1ccsc1 38586267 PQLSLKXFELMIMH-UHFFFAOYSA-N 277.414 3.547 0 40 CHAB c1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1 41148093 UXCBSDAMOMCENN-UHFFFAOYSA-N 290.370 3.974 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccccc1F 47220701 FBLQWSOVMTVCHP-HNNXBMFYSA-N 299.389 3.896 0 40 CHAB CC1(C)C=CN(c2cccc(C(F)(F)F)c2)C(=S)N1 56710484 YYIUOUBMCUOXSR-UHFFFAOYSA-N 286.322 3.692 0 40 CHAB CC(=O)N(C)c1ccc(NC(=O)CC2CCCCC2)cc1 58280026 WIKQLHVAZRBDGO-UHFFFAOYSA-N 288.391 3.578 0 40 CHAB c1ccc(-c2nc(-c3cccc4ncccc34)n[nH]2)cc1 61415606 OVPCKHLKIAYPBL-UHFFFAOYSA-N 272.311 3.687 0 40 CHAB CC(C)(C)C(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 71279879 MBSHKKUVPSJVSG-UHFFFAOYSA-N 294.358 3.610 0 40 CHAB Oc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72212333 ZRJGWUOQUBUWBO-INIZCTEOSA-N 268.360 3.514 0 40 CHAB Cc1cc(Cl)ncc1[C@H]1CCCN1CC(C)C 72217844 QAXQVDCTZOAMSO-CYBMUJFWSA-N 252.789 3.836 0 40 CHAB Cc1cc(NC(=O)c2cc(-c3ccco3)cs2)no1 72243251 SQJVEISWTFXHKM-UHFFFAOYSA-N 274.301 3.557 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN[C@H](C)[C@@H](C)CO)o1 77420735 UHFIKTIOBBEJTC-WCQYABFASA-N 291.366 3.501 0 40 CHAB COC(=O)C[C@H](C)SCc1ncc(-c2ccccc2)o1 78812553 UCQZTXUSZVAEFW-NSHDSACASA-N 291.372 3.526 0 40 CHAB CC(=O)c1c(O)ccc2cc(Br)ccc12 82317273 XPOSQOZJQLBSAN-UHFFFAOYSA-N 265.106 3.511 0 40 CHAB Cc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2 87492972 ULORBDMEFAYHRJ-SOLBZPMBSA-N 274.404 3.702 0 40 CHAB biogenic CCCOc1cc(C)c(C(=O)C(F)(F)F)c(C)c1 95732764 KKMLSHZFFHKBTR-UHFFFAOYSA-N 260.255 3.837 0 40 CHAB COc1cccc(OC)c1C(=O)c1ccc(Cl)cc1C 95916458 DNZDAGQPOZTIJF-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB C[C@@H](CCc1cccn1C)Nc1ccc(C(F)(F)F)cn1 97009746 WTMRXPRACOPIAE-NSHDSACASA-N 297.324 3.872 0 40 CHAB C[C@]12CC3CC(C(=O)NCc4ccccn4)(C1)C[C@](C)(C3)C2 100799043 ZTPQSNVHTXWYAW-NBLCHNQSSA-N 298.430 3.694 0 40 CHAB CC(=O)c1csc(C(=O)N(C)[C@@H](C)c2ccccc2)c1 106601396 MBTDSVCIVLXKQW-NSHDSACASA-N 287.384 3.784 0 40 CHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCC[C@H](C)C1 216388492 ULKBSADSYNNOCV-GJZGRUSLSA-N 289.419 3.836 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1cccc(OC)c1OC 225048849 GQYVJHOCUQLMMP-ZDUSSCGKSA-N 293.407 3.650 0 40 CHAB CC(=O)c1cc(Cl)cc2cc(Br)cnc12 238134093 SABBDWKHQNWZNT-UHFFFAOYSA-N 284.540 3.853 0 40 CHAB FC(F)(F)c1c(Br)ccc2[nH]c(Cl)nc12 258830652 HTJIESVAVPAMJV-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB CC(C)(C)SC[C@H]1CCCCN1C(=O)C1CCC1 390830705 MSVRYPIBKYPEQP-CYBMUJFWSA-N 269.454 3.699 0 40 CHAB COc1ccc(/C=C2\C(=O)Nc3ccccc32)c(OC)c1C 409117789 PEZNZRMVJWQMRO-UVTDQMKNSA-N 295.338 3.505 0 40 CHAB Cc1cc(O)nc(-c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)n1 1857624788 OJUSNTDHNIRWRL-NSHDSACASA-N 297.402 3.880 0 40 CHAB COc1ccc(C)cc1Nc1cc(C(F)F)nc(C)n1 1888879530 HFTRQCSKSXNNQP-UHFFFAOYSA-N 279.290 3.783 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)n1c2nc2ccccc21 107135 CUQCMKVZKQHUMW-HWPZZCPQSA-N 254.333 3.600 0 40 CHAB Fc1ccc(CNCc2cccc(Br)c2)cc1 360327 TWUDJESNPPLFEB-UHFFFAOYSA-N 294.167 3.878 0 40 CHAB Clc1ccc2c(NCc3cccs3)ncnc2c1 1405681 VALOVOLTPZOEKB-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB COC(=O)c1cc(C)ccc1-c1ccc(C)cc1C(=O)OC 1689992 RZTPBYRDGGSKPG-UHFFFAOYSA-N 298.338 3.544 0 40 CHAB CS(=O)(=O)c1ccc(/C=C2\C=Cc3ccccc32)cc1 1720703 XICAFMGQCYYCRA-NTCAYCPXSA-N 282.364 3.658 0 40 CHAB Cc1ccc2[nH]c(C)c(CCNCc3ccccn3)c2c1 2455607 VYYIRJZEVOATIL-UHFFFAOYSA-N 279.387 3.512 0 40 CHAB biogenic CCCCCn1c([C@@H](C)NC(=O)CC)nc2ccccc21 2601753 IKRFIHSDEOZQDN-CYBMUJFWSA-N 287.407 3.814 0 40 CHAB CCc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1 3567283 KPFNSGAVGQGSFP-UHFFFAOYSA-N 269.344 3.818 0 40 CHAB Cc1ccc(-n2ncc(-c3ccccc3C)c2N)cc1 4290740 ONIDXCBWGSKPLJ-UHFFFAOYSA-N 263.344 3.738 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C)c(C)c2)c(C(=O)O)c1 4649224 SAAFTIYJXXOMMU-UHFFFAOYSA-N 283.327 3.562 0 40 CHAB CCCCCCn1c(=S)[nH]c2ccccc2c1=O 4864208 LRZRCLMFQJSTGU-UHFFFAOYSA-N 262.378 3.639 0 40 CHAB O[C@H]1c2cc(Cl)cc(Cl)c2O[C@H]2CCCC[C@H]21 4973160 XPEXSNWCIABHIG-JFUSQASVSA-N 273.159 3.978 0 40 CHAB C[C@@H]1Sc2sc(=S)sc2SC1=O 5533081 JGOGUVHDUXCJBA-REOHCLBHSA-N 252.432 3.652 0 40 CHAB CC[C@@](O)(CCN1CC2CCC(CC2)C1)c1ccccc1 6412180 PIVURKQKLSUAKN-FAFZWHIHSA-N 287.447 3.796 0 40 CHAB CCOc1ccccc1C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 6488641 FNZYFOACEQKRGE-YDHLFZDLSA-N 275.392 3.640 0 40 CHAB O=C(NCc1ccc(F)cc1)C1=C(Cl)CCCC1 8757452 QLGDSBGVQCXHCU-UHFFFAOYSA-N 267.731 3.509 0 40 CHAB CC(C)Oc1ccc([C@@H](NCCCN(C)C)C(C)C)cc1 12391218 GAJWPYHCHMVONZ-SFHVURJKSA-N 292.467 3.712 0 40 CHAB CN(Cc1cccnc1)C(=O)Nc1cccc2ccccc12 12528138 VHFMETQGQWZLCJ-UHFFFAOYSA-N 291.354 3.899 0 40 CHAB CC(C)NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 12568813 AQDPGGRHNBRJKL-UHFFFAOYSA-N 295.382 3.841 0 40 CHAB Cc1cccc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)c1 14573749 VUKFPFVOKJFHAO-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB C[C@H](Oc1ccc(F)cc1)c1nc2ccc(F)cc2[nH]1 16903993 FVFIGLOSOTXSMA-VIFPVBQESA-N 274.270 3.981 0 40 CHAB CC(C)=CCC/C(C)=C\CN1C(=O)CC(C)=C(C)C1=O 17005087 OSYQTHNAVUUATA-LCYFTJDESA-N 275.392 3.774 0 40 CHAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(C)C 17300971 PBOASRIGPDGDCY-UHFFFAOYSA-N 294.807 3.910 0 40 CHAB Nc1nc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1 17858006 TXTLCPGTCAUVNV-RFZWMSCOSA-N 268.813 3.555 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)N(C)Cc2ccccc2)c1C 20104287 NECLZYOLVYYIQY-MRXNPFEDSA-N 297.398 3.729 0 40 CHAB Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 20194172 BZACTSIRDBSFKC-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB O=C(Nc1ccccn1)Nc1ccc(Cl)cc1F 20534447 OIDVMUWKZRMKER-UHFFFAOYSA-N 265.675 3.518 0 40 CHAB Cc1ccc(CS(=O)(=O)Nc2cccc(C)c2C)cc1 24613981 HASBVLUYWLCSDZ-UHFFFAOYSA-N 289.400 3.554 0 40 CHAB Cc1ccsc1C(=O)Nc1cccc(Cn2ccnc2)c1 25263863 MDNXNLKTEHGZGE-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB Cc1ccc(C)c2sc(NCc3ccccn3)nc12 26422475 LUNOUCHVDJBTKS-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB Cc1ccc2cccc(OCC(=O)c3ccccc3)c2n1 28047699 ZQHGBZXOSRHFSI-UHFFFAOYSA-N 277.323 3.805 0 40 CHAB CC(C)C[C@H](NC(=O)c1cccnc1)c1ccccc1 29106666 YAUIZCLHJPWQIR-INIZCTEOSA-N 268.360 3.599 0 40 CHAB Nc1nc2c(s1)[C@H](c1ccc(Cl)cc1)CC(O)=N2 32092217 TUFOVEUAMULLCC-QMMMGPOBSA-N 279.752 3.502 0 40 CHAB O=C1N=C2C=CC=CN2/C1=C\c1ccc(Cl)cc1Cl 34904108 LKVNOWQPJZQYFA-GHXNOFRVSA-N 291.137 3.659 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 38754673 XFFZELDGAVNZIC-DZGCQCFKSA-N 277.408 3.684 0 40 CHAB Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)o2)cc1 40017331 OQHUECRUKOPGCO-AWEZNQCLSA-N 271.360 3.706 0 40 CHAB CCC[C@@H](C)NC(=O)Nc1ccc(C)cc1Cl 40023786 JIGVVHYOLYGDJL-SNVBAGLBSA-N 254.761 3.959 0 40 CHAB CCCCOc1cccc(CNC(=O)C[C@@H]2C=CCC2)c1 40122181 DAYVMXKGBWHZBG-OAHLLOKOSA-N 287.403 3.838 0 40 CHAB COc1ccc2oc(C(=O)Nc3ccc(F)cc3)cc2c1 41306397 WXNVRRSHBJWTJD-UHFFFAOYSA-N 285.274 3.833 0 40 CHAB CC[C@@H](C)c1cc(Cl)ccc1OC[C@H]1CCNC1 42771128 QZAHRHHMKIMSBB-NEPJUHHUSA-N 267.800 3.842 0 40 CHAB O[C@@H](c1ccc(OCc2ccccc2)cc1)C(F)(F)F 43367873 VTKDFWOSQCKLGJ-AWEZNQCLSA-N 282.261 3.861 0 40 CHAB CCCc1nc(CN2CCC[C@H](C(F)(F)F)C2)cs1 65550766 VAWVBLLFMSZQAY-JTQLQIEISA-N 292.370 3.870 0 40 CHAB CN(c1ccccc1)c1ccc(C2=NCCCC2)cn1 72214209 XAAGVLWTERYFDY-UHFFFAOYSA-N 265.360 3.823 0 40 CHAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCN1CC(C)C 72218924 VPIRXTBPXRRIAY-QGZVFWFLSA-N 287.451 3.783 0 40 CHAB CCCCN1CCCC[C@@H]1c1cnc(NC)cc1C 72219064 XAEVGDKYKWGDEW-OAHLLOKOSA-N 261.413 3.759 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1F 72331744 GPHOCFAHPTZUET-UHFFFAOYSA-N 295.716 3.857 0 40 CHAB CC1(C)CN(C(=O)c2ccccn2)c2ccccc2S1 84673657 PXDGGCYFLRBBQL-UHFFFAOYSA-N 284.384 3.613 0 40 CHAB CC[S@@](=O)Cc1ccc(OC)c(SC(F)(F)F)c1 89104819 AJPKSRAQCHYNNX-SFHVURJKSA-N 298.351 3.576 0 40 CHAB CC[C@H](C)Oc1c(C)cc(-c2noc([C@@H](C)N)n2)cc1C 95095353 HIWLJFGIBQNAPU-NWDGAFQWSA-N 289.379 3.550 0 40 CHAB Cc1c(-c2ccccc2)nn2c(-c3ccncc3)ccnc12 95474511 GXWTUJJWQGSFAC-UHFFFAOYSA-N 286.338 3.767 0 40 CHAB COc1ccc(C(=O)c2cccc(SC)c2)cc1 95917204 JUYHIMCMRKNTQW-UHFFFAOYSA-N 258.342 3.648 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)C1[C@@H]2CCCC[C@@H]12 101400772 GCBUFWSSBKBWQB-NXEZZACHSA-N 267.731 3.854 0 40 CHAB COc1cccc([C@H]2CCCN2C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 102198171 PJTPDGXXNRKORF-DFEHZGFQSA-N 297.398 3.571 0 40 CHAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CCC2=O 118933322 GATQSSNSIBFJTG-UZIRSRSFSA-N 290.447 3.959 0 40 CHAB CCOC(=O)CCc1cc(Cl)cc(Br)c1 199566193 AUAWJFYNNGPROT-UHFFFAOYSA-N 291.572 3.598 0 40 CHAB Nc1cc(C2CCCCC2)cc(Br)c1O 226272289 SUDJXOILPMEKIM-UHFFFAOYSA-N 270.170 3.785 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]21C 256446018 NLOZVXGMIXPBOU-KEUHKTBPSA-N 290.447 3.671 0 40 CHAB CSc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1 431020372 ZIXBPLFCAYXRRC-UHFFFAOYSA-N 297.387 3.627 0 40 CHAB CCOc1ccc(Cc2c(C)nc(C)nc2Cl)cc1 177158 KEMHWWOUAFQTQX-UHFFFAOYSA-N 276.767 3.736 0 40 CHAB Clc1ccccc1-c1nc2ccccc2c2nncn12 521887 ABHRVUQVZNPFIP-UHFFFAOYSA-N 280.718 3.598 0 40 CHAB CC[C@@]12CC(=O)CC[C@H]1CCc1ccc(OC)c(OC)c12 1595200 MHYADKSVNGNATR-FZKQIMNGSA-N 288.387 3.667 0 40 CHAB Cc1ccc(C)c(N2C(=O)C(=O)c3c(C)ccc(C)c32)c1 1600362 VKVUCQMRRVKFNV-UHFFFAOYSA-N 279.339 3.781 0 40 CHAB C=Cc1cc[n+](CCCCCC[n+]2ccc(C=C)cc2)cc1 1703765 YULGRIVXYGKZBS-UHFFFAOYSA-N 294.442 3.808 0 40 CHAB Cc1cccc(C)c1C(=O)c1cccc(CN2CCC2)c1 2515124 YNVCCUHENJHDHP-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB Cc1ccc(SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 3233885 CNMARLPEDMIHIJ-ZIAGYGMSSA-N 277.433 3.877 0 40 CHAB O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 4330255 UMSVJZHYMWDYGY-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1N 5980007 DIXRCLQTPWTGBC-JTQLQIEISA-N 275.373 3.659 0 40 CHAB CC(C)c1ccc(Cn2ncc(=O)c3ccccc32)cc1 6852590 INCOSPGYONGUKS-UHFFFAOYSA-N 278.355 3.568 0 40 CHAB Cc1ccc(CNC(=O)CCSCc2ccccc2)cc1 7685655 VKQUCEOCOLQWMN-UHFFFAOYSA-N 299.439 3.935 0 40 CHAB CC(=O)c1cc(CCC(=O)Nc2cc(C)ccc2C)oc1C 8112435 NROXTWDVSZFEEC-UHFFFAOYSA-N 299.370 3.979 0 40 CHAB COc1ccccc1NC(=O)COc1cc(C)c(C)cc1C 8906024 SQMOSJHENDJBES-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB CC1CCN(C(=S)SCC(=O)c2cccs2)CC1 9614780 ILUUHVNJNNYDSG-UHFFFAOYSA-N 299.486 3.681 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1CC=CCC1 10540621 MRPZBKXHAAEBOG-HNNXBMFYSA-N 295.386 3.784 0 40 CHAB Cc1cc2cc(CNc3ccc(F)cc3)c(=O)[nH]c2cc1C 12493421 LUJKVRZZOSTIEV-UHFFFAOYSA-N 296.345 3.896 0 40 CHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(F)c1 12554949 LQGLBCJEOFUTQH-LBPRGKRZSA-N 298.361 3.754 0 40 CHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)s1 12927936 HEJMZNWISVHZKQ-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB O=C(NC[C@H]1CCCc2ccccc21)c1ccsc1 12933045 ZGNMKOMCTBPOHD-CYBMUJFWSA-N 271.385 3.598 0 40 CHAB CC(C)Sc1nnc(-c2ccccc2Br)o1 12972029 MBLHDVOUMGRZQG-UHFFFAOYSA-N 299.193 4.000 0 40 CHAB O=C(Nc1cccnc1)c1ccc(SC(F)(F)F)cc1 16499617 AJSGGCIZSKPZAQ-UHFFFAOYSA-N 298.289 3.946 0 40 CHAB CC(C)=CC(=O)NCc1ccc(Cl)cc1Cl 22928864 DRKKEPWSHYNLBL-UHFFFAOYSA-N 258.148 3.576 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)COc2ccccc2)cc1 23439156 WTXMFIXZQSVHFL-CQSZACIVSA-N 283.371 3.505 0 40 CHAB Cc1ccc2sc(NC(=O)C3CCC3)nc2c1C 28221509 HIAQARCLGLRUHI-UHFFFAOYSA-N 260.362 3.652 0 40 CHAB CSc1ccc([C@H](C)NC(=O)[C@H]2CC=CCC2)cc1 31695231 MZCFASOPNDEOPM-JSGCOSHPSA-N 275.417 3.942 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)NCCC1CCCC1 32779646 NANIFCJUNRKDHU-OAHLLOKOSA-N 288.435 3.887 0 40 CHAB Cc1cccc(OCc2nnc(SCC(C)C)o2)c1 40160856 WKWXGJLLYQFXNW-UHFFFAOYSA-N 278.377 3.705 0 40 CHAB CC(C)NC(=S)N[C@@H](c1cccs1)C1CCCC1 44079680 UISVXZFYDKUMID-CYBMUJFWSA-N 282.478 3.852 0 40 CHAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(C)C 53424718 IBAXZQAYDVDREK-LLVKDONJSA-N 288.416 3.952 0 40 CHAB Cc1cc([C@@H](O)c2ccc(Br)cc2)ccc1F 55200939 GMFZYDUJDRVQPO-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB COc1ccc(C(=O)c2cccc(Cl)c2)c(OC)c1 55232681 ACYRASLCNZWIGQ-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB COCc1cccc(NC(=O)N(C)Cc2ccsc2)c1 58057970 ONAATNBNZRYLEH-UHFFFAOYSA-N 290.388 3.558 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)C2CCCCCC2)c1C 58357046 MCPIBZFNPQTDOS-UHFFFAOYSA-N 290.407 3.629 0 40 CHAB CCCC[C@H]1CCC[C@H]1NC(=O)CCc1c(C)noc1C 65491063 RISUWKLVJRKHNV-GOEBONIOSA-N 292.423 3.699 0 40 CHAB CN1CCCC[C@@H]1c1cccnc1OCc1ccccc1 72212093 PQMLSXFSNYYQLW-QGZVFWFLSA-N 282.387 3.817 0 40 CHAB CN1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72348570 AVNFRMNLXUIGIJ-OAHLLOKOSA-N 284.378 3.621 0 40 CHAB N[C@H]1CCCc2c1[nH]c1ccc(C(F)(F)F)cc21 75707197 AQRSYVHLIVGXRZ-JTQLQIEISA-N 254.255 3.523 0 40 CHAB COc1ccc([C@H](C)Nc2ncnc3sccc23)cc1 88218767 DRQCOPGTNCPOJT-JTQLQIEISA-N 285.372 3.873 0 40 CHAB Fc1ccccc1[C@@H](NCc1cc[nH]n1)C1CCCC1 88765436 BLGOJCPZOFQBDA-INIZCTEOSA-N 273.355 3.570 0 40 CHAB Cc1ccsc1[C@@H](C)NCc1ccc([S@](C)=O)cc1 90221399 CADFGZXNISJCCV-CWTRNNRKSA-N 293.457 3.645 0 40 CHAB CCCCCNC(=O)Nc1cc(C)cc2cccnc12 95454279 LKGDBNXTAQWUJT-UHFFFAOYSA-N 271.364 3.855 0 40 CHAB CC(C)[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 95465902 WBVNCVZTPYDDCU-AWEZNQCLSA-N 287.325 3.562 0 40 CHAB CC[C@@H](NC1CCOCC1)C(C)(C)c1ccccc1 95968494 STAGLHZQRMNDMT-MRXNPFEDSA-N 261.409 3.511 0 40 CHAB COc1ccc([C@H](C)CCNC(=O)c2ccoc2C)cc1 96423361 JNPIJRLYZLCWPP-GFCCVEGCSA-N 287.359 3.520 0 40 CHAB Cc1nnc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)o1 96500936 HURDIAZFWBYPBM-CQSZACIVSA-N 297.761 3.657 0 40 CHAB Cc1noc(C)c1CCCN[C@H](C)c1cccs1 97228488 XLMOEJDMOVRUTK-LLVKDONJSA-N 264.394 3.636 0 40 CHAB NCc1ccc(C(F)(F)F)nc1C1CCCCC1 146182115 ADUYOIGUFGURMR-UHFFFAOYSA-N 258.287 3.607 0 40 CHAB FC(F)(F)C1(c2cccc(Br)c2)N=N1 196484259 LQIQMTGLNVXNCE-UHFFFAOYSA-N 265.032 3.630 0 40 CHAB CC1(C)COc2ccc([C@@H](O)c3ccccc3)cc2OC1 225356283 UXJFIZILMHFOKK-KRWDZBQOSA-N 284.355 3.566 0 40 CHAB CCOC(=O)c1c(C)cc(Br)cc1Cl 238298703 OHWVATWBLYXNMD-UHFFFAOYSA-N 277.545 3.588 0 40 CHAB Cc1ccc2nc([C@H]3CCC(F)(F)C3)nc(O)c2c1 253535184 VYILYXFHWILJSY-VIFPVBQESA-N 264.275 3.547 0 40 CHAB CN1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257276342 NTGVYOVBMCDWFQ-CQSZACIVSA-N 276.767 3.686 0 40 CHAB CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CC1 257843792 PFEYJZYKQZDGQE-UHFFFAOYSA-N 259.132 3.588 0 40 CHAB Fc1c(Br)cccc1NCC(F)(F)F 606295646 FLPYENWHHPUBTP-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB CCOc1ccc(CC(=O)Nc2ccccc2)cc1OCC 93171 QTUIYMTVKSQQIT-UHFFFAOYSA-N 299.370 3.665 0 40 CHAB CC[C@H](C(=O)Nc1cc(C)ccc1O)c1ccccc1 367769 DDLPEDAHYHKMAX-AWEZNQCLSA-N 269.344 3.833 0 40 CHAB Clc1ncc(COc2cccc3cccnc23)s1 1403573 PNCSIQXVBNGSRL-UHFFFAOYSA-N 276.748 3.924 0 40 CHAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(F)c(F)c1 2514923 HSNRDJCPVGIRRM-UHFFFAOYSA-N 299.320 3.568 0 40 CHAB O=C(CSCc1ccco1)c1ccc(F)cc1 3264751 GOPSMCZQCJFQEO-UHFFFAOYSA-N 250.294 3.535 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)C1(c2ccccc2)CC1 3419942 KZIZBBRVYFVQHF-AWEZNQCLSA-N 295.382 3.604 0 40 CHAB Cc1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 3494330 KHOVUKKBBPHPJP-UHFFFAOYSA-N 281.355 3.501 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4027117 VRAQFSFGVZLHAG-HZMVBMFHSA-N 286.371 3.951 0 40 CHAB biogenic Cc1cccc2nc(CSc3ccccc3N)cn12 4032206 JICUJUBWALVWFU-UHFFFAOYSA-N 269.373 3.517 0 40 CHAB CCc1ccc([C@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 4934802 VMSXDIVIIRJUEP-JENIJYKNSA-N 287.447 3.795 0 40 CHAB FC(F)(F)c1nc2c(Br)cc(Cl)cc2[nH]1 5425270 LUKWKKYXNIHSRJ-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)CC(=O)CC4 6067837 RORYLAUXKSWMQL-CBZIJGRNSA-N 272.388 3.841 0 40 CHAB Cc1ccc(C)c(OCCC(=O)Nc2cccc(F)c2)c1 6152404 XEZXUVNFERDPGX-UHFFFAOYSA-N 287.334 3.850 0 40 CHAB Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1 8168375 PSTSXMXJYBFUDT-CQSZACIVSA-N 253.345 3.529 0 40 CHAB COc1cccc(C=O)c1Nc1cccc(C)c1C 8703697 RGCWQJJXSGNSOB-UHFFFAOYSA-N 255.317 3.868 0 40 CHAB c1cncc(Oc2ncnc3c2oc2ccccc23)c1 9910116 ODRONKMINATAAC-UHFFFAOYSA-N 263.256 3.563 0 40 CHAB CC[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccsc1 11438427 VQPSUFZWEQJEHC-HNNXBMFYSA-N 288.416 3.597 0 40 CHAB O=C(Nc1nc(-c2cccs2)ns1)c1cccs1 11914486 ZLFVZDYFOXQQRE-UHFFFAOYSA-N 293.398 3.580 0 40 CHAB COc1cc(Cl)c(NC(=O)[C@@H]2CC=CCC2)cc1OC 12728064 HSDMCPGDZZJSMD-SNVBAGLBSA-N 295.766 3.652 0 40 CHAB O=C(NCCSCc1ccccc1)C1CCCCC1 13716888 FGKJDRGBNSNOCI-UHFFFAOYSA-N 277.433 3.616 0 40 CHAB O=C(CCc1ccc(F)cc1)Nc1ccc(F)cc1 18114167 CPAZFHZKJHROAM-UHFFFAOYSA-N 261.271 3.536 0 40 CHAB Cc1ccsc1CN1CCCCC[C@H]1c1ccn(C)n1 19238645 QRVHYVNIZUYJHE-HNNXBMFYSA-N 289.448 3.907 0 40 CHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C)cc1 20491497 ATMVTNJOCWAGSX-KRWDZBQOSA-N 299.370 3.800 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1cccs1 32865227 QQAFJIYVUOZJJB-OLZOCXBDSA-N 261.390 3.768 0 40 CHAB Cc1nc2ccc(NC(=O)NC(C)(C)C)cc2s1 33728922 ZMOHTKHBQZHPNA-UHFFFAOYSA-N 263.366 3.525 0 40 CHAB COc1c(C(=O)O)cc(C(C)(C)C)cc1C(C)(C)C 34497999 MPGQQFNWZHRKIS-UHFFFAOYSA-N 264.365 3.988 0 40 CHAB CCOC(=O)c1ccc(C(=O)/C=C/c2ccccc2)cc1 34498568 KQEABJJBLDEVBH-MDWZMJQESA-N 280.323 3.759 0 40 CHAB Cc1ccc(-c2nnn([C@H](C)c3ccccc3Cl)n2)cc1 35264574 ZNTZGPPOBSSMNT-GFCCVEGCSA-N 298.777 3.911 0 40 CHAB COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)on1 38486275 DLTZRTIHDGTBKZ-UHFFFAOYSA-N 279.295 3.795 0 40 CHAB Cc1ccc2oc(-c3ccc(C)c(-n4cnnc4)c3)nc2c1 45920530 USKWOVJDTSGFQD-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB C[C@H](Sc1nnnn1C1CC1)c1ccccc1Cl 48396197 GFNBPIRDYDNHRU-QMMMGPOBSA-N 280.784 3.515 0 40 CHAB c1ccc2oc(Sc3nccn3C3CC3)nc2c1 48554540 WFCOLCRZPNLUOW-UHFFFAOYSA-N 257.318 3.510 0 40 CHAB Cc1cc(Cl)nc(COc2ccc(C)c(C)c2)n1 58043463 NESPXYCHQJHFNI-UHFFFAOYSA-N 262.740 3.634 0 40 CHAB CNC(=O)c1cnc(/C=C/c2ccc(C(C)C)cc2)s1 58168926 MLLWVVSLLGKEFU-RMKNXTFCSA-N 286.400 3.797 0 40 CHAB CC(C)[C@@H](C)NC(=O)CSCc1ccccc1Cl 58689424 XCOJOWIEZNKUFE-LLVKDONJSA-N 285.840 3.734 0 40 CHAB CCSc1ncc(CNCCC2=CCCCC2)cn1 62717327 QHURJJOZGKQPJT-UHFFFAOYSA-N 277.437 3.569 0 40 CHAB COc1ccccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72221467 OXQJLMYJWRQFDA-ZDUSSCGKSA-N 277.364 3.767 0 40 CHAB Cc1cc([C@@H](C)O)cnc1SC1CCCCC1 72222792 UFQDOEGDESGEGQ-LLVKDONJSA-N 251.395 3.868 0 40 CHAB COc1cc(C(=O)NCc2ccccc2F)cc2occc12 72240058 WAEYAQUXRKQNCR-UHFFFAOYSA-N 299.301 3.511 0 40 CHAB Cc1ncc(NC(=O)c2ccccc2)c(C)c1Cl 72264662 XRESEENNGJKLMU-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCCCC1 73260867 MBJOGKBBIGAYSD-STQMWFEESA-N 297.320 3.821 0 40 CHAB Cc1cc(Cl)ccc1C(=O)[C@H]1CCCC[C@H]1C(=O)O 95634111 UHUFYNOPLBARQB-QWHCGFSZSA-N 280.751 3.722 0 40 CHAB O=C1CCN(c2ccccc2)[C@H](c2ccccc2)C1 95887513 PZVNDGYYRBJJJB-KRWDZBQOSA-N 251.329 3.597 0 40 CHAB C[C@@H](C(=O)Nc1cccc(O)c1)c1ccc(Cl)s1 98020646 WNJGUFZKQMAHJT-MRVPVSSYSA-N 281.764 3.849 0 40 CHAB CC[C@@]12C[C@@H]3C[C@@](Br)(C1)C[C@@](C(=O)O)(C3)C2 100158681 MJKPKTLCKBPVQX-FTYKPCCVSA-N 287.197 3.585 0 40 CHAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC(=O)c1ccccc1 100363831 YUXLMPQJQGGWGZ-LSDHHAIUSA-N 256.345 3.836 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC1CCCC1 113954405 AKBLMUUNLWBKNP-CYBMUJFWSA-N 281.783 3.556 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)NC(C(C)C)C(C)C 113954919 ACCYPGPBHYRRNC-CQSZACIVSA-N 291.435 3.813 0 40 CHAB CCc1ccc(CC(=O)NCCSC2CCCC2)cc1 225463153 WABSASYQIGFLDO-UHFFFAOYSA-N 291.460 3.584 0 40 CHAB CCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OC)c(C)c1 225694365 KDUZETTVVKBMAT-KRWDZBQOSA-N 293.407 3.846 0 40 CHAB CNc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 226280818 RFZBNESCDWODMY-UHFFFAOYSA-N 265.312 3.810 0 40 CHAB CC[C@H]1C[C@@H](NC(=O)c2ccccc2)[C@@H]2CCCC[C@H]2O1 257253626 JZPZLFARHKBXQB-MWDXBVQZSA-N 287.403 3.543 0 40 CHAB COC(=O)CCCCC(=O)c1c(C)cccc1Cl 575361688 FZWJTYJOTVYXRW-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc2c(O)cccc12 685938675 ZCINAZUFPUIZTF-TXEJJXNPSA-N 270.376 3.731 0 40 CHAB Cc1ccc(-c2[nH]c(C=O)nc2Br)c(Cl)c1 1857794751 JLAUKHVVUCAHGQ-UHFFFAOYSA-N 299.555 3.614 0 40 CHAB Brc1ccc(-c2noc(-c3cccs3)n2)o1 34390 GLBYXJZKOAWOAI-UHFFFAOYSA-N 297.133 3.821 0 40 CHAB Cc1ccc(C)c(OC(=O)CCc2ccccc2)c1 79190 JSXBQQNZIHRGJB-UHFFFAOYSA-N 254.329 3.842 0 40 CHAB COc1ccc(N2C(=O)[C@H](C)SC23CCCCC3)cc1 205362 OCDYJTOXHXGYBH-LBPRGKRZSA-N 291.416 3.824 0 40 CHAB C[C@@]1(Cl)C(=O)c2ccccc2N(c2ccccc2)C1=O 344064 YUTULTRRAHYSJP-MRXNPFEDSA-N 285.730 3.545 0 40 CHAB COc1cc(NC(=O)c2cc(C)cc(C)c2)cc(OC)c1 496654 QNXVWADEEYCIHX-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB Nc1ccccc1SCC(=O)Nc1ccccc1Cl 875209 XLWHGWZWZUUUBM-UHFFFAOYSA-N 292.791 3.653 0 40 CHAB Cc1cc(C)c(CN(C)C)c(C[C@H](O)c2ccccc2)c1 2036537 AATDXFHWKWWEBE-IBGZPJMESA-N 283.415 3.641 0 40 CHAB COc1c(C)cc(C(=O)CCCCCC(=O)O)cc1C 2378630 TZPOUTJRLGIKIJ-UHFFFAOYSA-N 278.348 3.530 0 40 CHAB Cc1ccc(NC(=O)Cc2cccs2)c(Cl)c1 3341881 GZOUPRCHYPWDGQ-UHFFFAOYSA-N 265.765 3.891 0 40 CHAB CC(=O)[C@H]1CCC(c2ccccc2)(c2ccccc2)C[C@H]1O 3844301 CLVLAVFCIQZXKQ-RTBURBONSA-N 294.394 3.723 0 40 CHAB biogenic Cc1ccc(-c2nnc3ccc(SC(C)C)nn23)cc1 4164636 XRCFFADNAAATAU-UHFFFAOYSA-N 284.388 3.600 0 40 CHAB O[C@H](c1ccc(F)cc1)c1cc(F)cc(Cl)c1 4242381 MCFOQYSIECOGID-CYBMUJFWSA-N 254.663 3.700 0 40 CHAB COc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1 4413192 HNTCZBWIIGSCLW-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CN(C)C(C)(C)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 4416395 DTIKEEZPIDWSHF-IOASZLSFSA-N 253.430 3.558 0 40 CHAB Cc1ccc(NC(=O)CCN2C[C@@H](C)C[C@@H](C)C2)cc1C 4744719 PZFJVVRWNVRPQM-OKILXGFUSA-N 288.435 3.610 0 40 CHAB CCc1cc(C(=O)C(F)(F)F)[nH]c1-c1ccccc1 4892999 SPCAAIOJZDAILR-UHFFFAOYSA-N 267.250 3.989 0 40 CHAB Cn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 5500849 WQTCUXRPKVAMGR-UHFFFAOYSA-N 299.374 3.914 0 40 CHAB CCC[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 5680679 UVUVSZPNCSZGFO-GOSISDBHSA-N 297.398 3.895 0 40 CHAB CCCC[C@@H](CC)CNC(=O)Cc1ccc(OC)cc1 6042910 MZHNDVHAJCZAMS-CQSZACIVSA-N 277.408 3.570 0 40 CHAB CSc1ccc(/C=C2/C(=O)Oc3ccccc32)cc1 6541308 ZVEYKAKFLWBHHB-GXDHUFHOSA-N 268.337 3.868 0 40 CHAB C[C@@H](Nc1ncnc2ccccc12)c1ccccc1F 8230344 GOORALIXXWCKHR-LLVKDONJSA-N 267.307 3.942 0 40 CHAB Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)OCO3)c1 8335855 KKUUTZAYZKCUBA-UHFFFAOYSA-N 284.315 3.676 0 40 CHAB C[C@@H](NC(=O)Nc1ccccc1F)c1cccs1 8734715 MLKIZLRLNQETFO-SECBINFHSA-N 264.325 3.770 0 40 CHAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@@H]1CCCO1 8944515 QFTCOKBIIWBURG-LBPRGKRZSA-N 298.367 3.567 0 40 CHAB CCOc1ccc(CC(=O)Nc2cc(C)ccc2OC)cc1 8987503 SRQLMXJIAIANAK-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB Cc1ccc(CNC(=O)NCC2(c3ccccc3)CC2)cc1 10496499 SPOZQOWVEMLDQK-UHFFFAOYSA-N 294.398 3.526 0 40 CHAB Cc1ccc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 13604738 KVJZIDHAUQQTLE-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB OCC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12 13879152 DXBZNHDCIGHVJL-XDJHFCHBSA-N 299.757 3.646 0 40 CHAB Cc1occc1C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 16990596 VSTNGXCYHCGKLZ-UONOGXRCSA-N 263.381 3.923 0 40 CHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C)c1 20461034 STLQDCPTDPQXHH-QGZVFWFLSA-N 299.370 3.800 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C)cc1 20490357 LGMDYDHAWPZVAE-AWEZNQCLSA-N 283.371 3.963 0 40 CHAB C[C@]12CC[C@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 21984608 BTTWKVFKBPAFDK-PHFHYRSDSA-N 290.447 3.671 0 40 CHAB Cc1ccc2[nH]c(SCc3c(C)noc3C)nc2c1 40005229 AECBNCIRZUBNRG-UHFFFAOYSA-N 273.361 3.768 0 40 CHAB CCc1ccc(C(=O)Nc2cccc(Br)c2)o1 40082024 PWAUBQQIYCVNQG-UHFFFAOYSA-N 294.148 3.857 0 40 CHAB O=C(Nc1ncc(-c2ccccc2)s1)c1ccoc1 40087533 DHHXAEMLBIKDCT-UHFFFAOYSA-N 270.313 3.655 0 40 CHAB CCOc1ccc([C@H](O)c2cccc(Cl)c2)cc1 40244439 HBFUMNQQAKQORX-HNNXBMFYSA-N 262.736 3.820 0 40 CHAB CN[C@@H](c1cccnc1)c1ccc(Cl)cc1Cl 40940773 HEDJEUMBKXDANM-ZDUSSCGKSA-N 267.159 3.697 0 40 CHAB in-vitro C[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1F 47220702 FBLQWSOVMTVCHP-OAHLLOKOSA-N 299.389 3.896 0 40 CHAB O=C(/C=C/c1ccccc1Cl)NCCc1ccsc1 48443473 WUJOSFZHGKNROP-AATRIKPKSA-N 291.803 3.774 0 40 CHAB CCOCCCC(=O)Nc1cccc(-c2nccs2)c1 48802982 APLFKKFOWNNDQV-UHFFFAOYSA-N 290.388 3.565 0 40 CHAB Cn1c(-c2csc(-c3ccccn3)n2)nc2ccccc21 48878442 UKSBTZDLRBMSPA-UHFFFAOYSA-N 292.367 3.759 0 40 CHAB Cc1ccc(C#N)c(-c2ccccc2OC(F)(F)F)n1 65404911 RLKSDMAABVQRIT-UHFFFAOYSA-N 278.233 3.827 0 40 CHAB O=C1C[C@@H](c2cccc(Cl)c2)c2ccc(O)cc2N1 66089326 LELVWUSEARXXMC-ZDUSSCGKSA-N 273.719 3.520 0 40 CHAB CC(C)Sc1ccc([C@H]2CCCCN2C)cn1 72217496 QGUAIHZMVMVIPM-CYBMUJFWSA-N 250.411 3.739 0 40 CHAB Cc1nc(Cl)ccc1[C@H]1CCCCN1C(C)C 72217921 BNUMWGABLJBQDM-CYBMUJFWSA-N 252.789 3.979 0 40 CHAB COc1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1 72233622 UQLPOLQMHUJFTO-UHFFFAOYSA-N 289.375 3.719 0 40 CHAB O=C(NCc1ccco1)c1cc(-c2ccco2)cs1 72243243 ALUNCJXODPPGHQ-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB CN(C)c1cccc([C@H]2CCCN2Cc2cscn2)c1 78947634 QLXVWCWRAXSECD-MRXNPFEDSA-N 287.432 3.546 0 40 CHAB O=C(c1cccc(F)c1)c1ccnc2ccccc12 83316460 WYLSSMGNNXKPKN-UHFFFAOYSA-N 251.260 3.605 0 40 CHAB CC(C)(C)OC(=O)Nc1ncc(Cl)cc1Cl 89224896 MMIHIZAIIKLWIL-UHFFFAOYSA-N 263.124 3.735 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2n[nH]c3ccccc23)C1(C)C 95349081 ADYCBWQYAUTSLL-JSGCOSHPSA-N 283.375 3.740 0 40 CHAB Cc1csc([C@@H](N[C@H](C)CC2CC2)C2CC2)n1 95423330 MWANTBSXULGPNE-RNCFNFMXSA-N 250.411 3.681 0 40 CHAB COc1ccc(F)c(NCc2cnc(C3CC3)s2)c1 95448800 WJXDGYHJUXXMKU-UHFFFAOYSA-N 278.352 3.780 0 40 CHAB CCOC(=O)CCCOc1ccc(Cl)cc1Cl 95738567 BJGKRICBCYVRDX-UHFFFAOYSA-N 277.147 3.716 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCSc2ccccc21 105925133 ICFGXMOCVPXCBW-MELADBBJSA-N 287.428 3.952 0 40 CHAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC(=O)[C@@H]2O 118925764 PCRFKLBZXMNBGB-HSTZUDBKSA-N 288.431 3.735 0 40 CHAB CCOc1ccc2c(c1)c(C=O)c(C)n2CC(C)C 217770040 URNNHYQMDSHQAV-UHFFFAOYSA-N 259.349 3.817 0 40 CHAB Cc1ccc(CCC(=O)NCC2=CCCCC2)cc1 224038004 KJCJEYYCLSMFEJ-UHFFFAOYSA-N 257.377 3.544 0 40 CHAB CC[C@H](C)Oc1c(C)cc(NC(=O)C(C)(C)OC)cc1C 225600416 TZUMMQLREQRIFB-ZDUSSCGKSA-N 293.407 3.844 0 40 CHAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)cc1 225625323 NFFYZAOJAVOYKQ-CYBMUJFWSA-N 291.391 3.762 0 40 CHAB CC(C)n1nc(C2CC2)cc1CNCCc1ccccc1 256049497 AESWHRLIKVZESH-UHFFFAOYSA-N 283.419 3.674 0 40 CHAB COc1ccc2sc(-c3ccc(C(=O)O)[nH]3)cc2c1 257861347 GSLAAMJEQPCAQD-UHFFFAOYSA-N 273.313 3.603 0 40 CHAB Cc1nc(N2CCCC2)c2c3c(sc2n1)C[C@@H](C)CC3 351641 SODYMUIATYKVRY-JTQLQIEISA-N 287.432 3.725 0 40 CHAB Cc1ccc(-n2ncc3c(NCC(C)C)ncnc32)c(C)c1 535945 OAUKNFPTJPPADK-UHFFFAOYSA-N 295.390 3.500 0 40 CHAB O=C(CSc1ccccc1)NCCC1=CCCCC1 577902 DVFKXBKONJSCCA-UHFFFAOYSA-N 275.417 3.785 0 40 CHAB c1ccc(-n2nccc2-c2ccc(-n3ccnc3)cc2)cc1 1402343 VVJPCOSBIAVTQG-UHFFFAOYSA-N 286.338 3.725 0 40 CHAB O=C(c1ccccc1)N1CCCC(c2ccc(Cl)cc2)=N1 1403350 KGTJBKFUKPESIM-UHFFFAOYSA-N 298.773 3.980 0 40 CHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(F)c(F)c1 1514258 SVOXDDNVIXFJJB-UHFFFAOYSA-N 294.326 3.552 0 40 CHAB O=S(=O)(O)c1ccc2c(c1)-c1cccc3cccc-2c13 2024122 RHGAAMAVPQLVMR-UHFFFAOYSA-N 282.320 3.734 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 3608843 MXZSAHIZJRJVPY-JTQLQIEISA-N 293.725 3.885 0 40 CHAB NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 4017334 SUIKWZVCSWVADP-UHFFFAOYSA-N 287.362 3.506 0 40 CHAB Cc1cc2ncc3c([n+]2o1)/C(=C/c1ccccc1)CCC3 5258611 LVCNMJYTTDSFEV-RVDMUPIBSA-N 277.347 3.599 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nccn1C 5359473 IQDMKGDMSWBHJG-NSHDSACASA-N 299.399 3.573 0 40 CHAB COc1ccc(C(=O)O[C@@H]2CCCCC2=O)c2ccccc12 7496567 XEBRUWBYCQWDKJ-QGZVFWFLSA-N 298.338 3.517 0 40 CHAB CSCc1ccc(C(=O)NCc2ccccc2C)cc1 7976438 DCALHAOREXAYDK-UHFFFAOYSA-N 285.412 3.788 0 40 CHAB CCOc1cc(CNC(C)(C)C)cc(Cl)c1OC 8253640 RXDAPKGHRPRWSQ-UHFFFAOYSA-N 271.788 3.635 0 40 CHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 9592914 LLYMMOWLKBPCFZ-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCCC1 10030829 FMBLHDXXSUAOLD-UHFFFAOYSA-N 292.338 3.731 0 40 CHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1F 10670440 CAQBPXACIBBYMF-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB Cc1cccc(C)c1NC(=O)COc1ccc(F)cc1F 12776353 ORXXDXXRZHJIKG-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB C[C@]12CC[C@@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@H]3[C@@H]1CC[C@H]2O 13546213 RHVBIEJVJWNXBU-PUQYTDRFSA-N 276.420 3.569 0 40 CHAB in-vitro CCCCCCNS(=O)(=O)c1ccc(C(C)C)cc1 13938624 KDBDARMVURHQDU-UHFFFAOYSA-N 283.437 3.669 0 40 CHAB Cc1ccc(CNC(=O)c2c(C)[nH]c3ccccc23)cc1 15515625 AQGDTTNJDBLFER-UHFFFAOYSA-N 278.355 3.715 0 40 CHAB O=C(Cc1ccsc1)Nc1ccc(Br)cc1 15634448 IIPQQVXKACNJBO-UHFFFAOYSA-N 296.189 3.692 0 40 CHAB c1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 15973864 QTPUSWQZVLYKQQ-UHFFFAOYSA-N 293.415 3.928 0 40 CHAB O=C(c1ccc(F)cc1)[C@@H]1O[C@@H]1c1ccccc1Cl 16125536 PXRNXFWVULYKSD-CABCVRRESA-N 276.694 3.802 0 40 CHAB Cc1occc1C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 16990606 VSTNGXCYHCGKLZ-KGLIPLIRSA-N 263.381 3.923 0 40 CHAB O=C(Nc1ccccc1Cl)c1noc2c1CCCCC2 20508121 CPZPNFZWWWZABX-UHFFFAOYSA-N 290.750 3.849 0 40 CHAB O=C(Nc1noc(-c2ccccc2)n1)c1cccc(Cl)c1 21800403 MYJULLZMAOHKKA-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB C[C@H]1CCCCN1C(=O)c1csc(-c2cccs2)n1 23192071 QPVRNNKHNCNKPL-JTQLQIEISA-N 292.429 3.886 0 40 CHAB Cc1cn2nc(Sc3ccc(C)c(C)c3)sc2n1 24840054 VSUCSEMZRFPOMV-UHFFFAOYSA-N 275.402 3.867 0 40 CHAB CC(C)(C)n1nc(-c2ccccc2Br)cc1N 35277058 IJFSFROQYXXKNG-UHFFFAOYSA-N 294.196 3.650 0 40 CHAB NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 35722520 MDMWKZRRRKYPPV-UHFFFAOYSA-N 293.819 3.970 0 40 CHAB in-vitro O[C@H]1CCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1 37489624 XCIJQGOMBGCEDC-OALUTQOASA-N 281.399 3.602 0 40 CHAB Cc1cc(N(C)Cc2ccco2)nc2ccccc12 40160666 QJTXJIIHUZUAFX-UHFFFAOYSA-N 252.317 3.773 0 40 CHAB C1=C(CCNc2ncnc3ccsc23)CCCC1 40421730 MLLDZRMEMVCQCO-UHFFFAOYSA-N 259.378 3.994 0 40 CHAB Brc1ccccc1CSc1ncccn1 41103694 SUQAKGYYBAFQDL-UHFFFAOYSA-N 281.178 3.531 0 40 CHAB Cc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)cc1 49467919 JWKRJDTZIZEZMS-UHFFFAOYSA-N 294.333 3.917 0 40 CHAB Fc1ccc2[nH]c(=S)n(-c3ccccc3F)c2c1 52122489 ZTVSOJIVMMHOGZ-UHFFFAOYSA-N 262.284 3.966 0 40 CHAB in-vitro Cc1cccc(OCCCCC(=O)Nc2ncccc2C)c1 57427172 KQYKSGOLVROVDM-UHFFFAOYSA-N 298.386 3.886 0 40 CHAB O=C(NCCSc1ccc(Cl)cc1)C1CCCC1 60958350 IXWAAFAKFZBIHJ-UHFFFAOYSA-N 283.824 3.739 0 40 CHAB C[C@H](Cc1ccccc1)NC/C=C/c1ccccc1 62185975 NMMSKGCUFGCREC-WDBUWWRISA-N 251.373 3.921 0 40 CHAB C[C@@H]1CCCC(=O)[C@H]1CCC1(C)OCC(C)(C)CO1 65747662 HBRCWDWNTABTHO-OLZOCXBDSA-N 268.397 3.561 0 40 CHAB in-vitro CC(=O)N1CCCC[C@@H]1c1cccnc1Nc1ccccc1 72214172 KDWRXTQMUTYHNH-QGZVFWFLSA-N 295.386 3.899 0 40 CHAB Clc1ccccc1Cc1cccc([C@@H]2CCCN2)n1 72343733 CSYIODIYSODKRY-HNNXBMFYSA-N 272.779 3.750 0 40 CHAB C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccncc2)C1 75503164 XWSJZDZOLQIGBW-WBMJQRKESA-N 299.349 3.836 0 40 CHAB CCS[C@H]1CC[C@H](NC(=O)Nc2cccnc2Cl)C1 75541435 UHYRHLFBFLJEFD-UWVGGRQHSA-N 299.827 3.531 0 40 CHAB Cc1ccc(-c2nc(CSC3=NCCS3)co2)cc1 84172069 UVCUXLBTEQTUCA-UHFFFAOYSA-N 290.413 3.986 0 40 CHAB Fc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cn1 85221545 IEWUZENYCKPNRD-UHFFFAOYSA-N 281.212 3.783 0 40 CHAB Cc1cnc([C@H](C)Nc2ncnc3cc(Cl)ccc23)o1 95466023 YJFMNVGCZSISOZ-VIFPVBQESA-N 288.738 3.753 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1cc(F)c(F)cc1F 95916681 NODTVHOCCVJWPN-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB Fc1ccccc1CNCCCSC(F)(F)F 95918304 HTBDQQJDKMOJCQ-UHFFFAOYSA-N 267.291 3.558 0 40 CHAB Cc1noc(C(C)C)c1C(=O)NCc1cc2ccccc2o1 95949494 DXPSVRHYLMQTSG-UHFFFAOYSA-N 298.342 3.783 0 40 CHAB O=C(NCc1ccccc1-c1ccsc1)C1CCC1 96383205 MONXXIZWHNGFSW-UHFFFAOYSA-N 271.385 3.831 0 40 CHAB COc1ccccc1C[C@@H](C)Nc1c(C)noc1C1CC1 97162394 MUQXUXJBKOGRTJ-LLVKDONJSA-N 286.375 3.912 0 40 CHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 100937020 UCHUGNGIDMNZIY-NXEZZACHSA-N 298.169 3.673 0 40 CHAB CCCCOc1c(C)cc(Br)cc1C=O 165599360 LAUDOYKLWUUOTI-UHFFFAOYSA-N 271.154 3.749 0 40 CHAB CO[C@H](C)C(=O)Nc1c(C(C)C)c(C)nc2ccccc12 191321911 BTIPALOQLJTKHA-GFCCVEGCSA-N 286.375 3.640 0 40 CHAB CN(C)Cc1cn(C[Si](C)(C)C)c2ccccc12 195758635 JMRJLQSBEGTDDO-UHFFFAOYSA-N 260.457 3.580 0 40 CHAB CCCn1c(C)c(CNC(C)C)c2cc(OC)ccc21 223768824 IEAMIWFPKKUVSX-UHFFFAOYSA-N 274.408 3.866 0 40 CHAB CCCCNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254116 NMEHGFLDUIGRBD-UHFFFAOYSA-N 293.370 3.760 0 40 CHAB Cc1ccccc1OCC(=O)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257378 VJALFKBJKICVDT-IRXDYDNUSA-N 297.398 3.618 0 40 CHAB COc1ccc2cccc(C3(C(=O)O)CCCC3)c2c1 1614662865 HSCAVCYTUPXFJR-UHFFFAOYSA-N 270.328 3.745 0 40 CHAB Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(C)c1 37400475 KGTOHBYBWVBINS-UHFFFAOYSA-N 280.327 3.618 0 40 CHAB Cc1cc(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)no1 23016032 DKHGLEWZYKYPCF-NSHDSACASA-N 299.330 3.954 0 40 CHAB Cc1occc1C(=O)N[C@H](C)c1cccc(Cl)c1 23790303 ZSOKZEKFGZHBHC-SECBINFHSA-N 263.724 3.732 0 40 CHAB Cc1nnc(Cl)c2nn(-c3cccc(Cl)c3)c(C)c12 1016771 IODMPGFKZJALAT-UHFFFAOYSA-N 293.157 3.739 0 40 CHAB CCOc1ccccc1NC(=O)c1cccc(C)c1C 6304021 WCQKAMKPPBJXEL-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1CC 8040534 RGBQAPFFRPEIMK-UHFFFAOYSA-N 296.370 3.850 0 40 CHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCCC1 8040940 YEZBZOYHTATSSV-CQSZACIVSA-N 281.783 3.510 0 40 CHAB COCc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 25823206 RSZBJTXNVYGGNP-UHFFFAOYSA-N 287.384 3.636 0 40 CHAB Cc1cc(NC(=O)Nc2cccc(COC(C)C)c2)no1 58052633 IDFUDZIFWGIHOF-UHFFFAOYSA-N 289.335 3.552 0 40 CHAB Cc1noc(C)c1CC(=O)Nc1cccc(Cl)c1Cl 36360625 LMOHHABILAVZIG-UHFFFAOYSA-N 299.157 3.779 0 40 CHAB CC1(C)Oc2ccccc2C(=O)N1c1cc(Cl)ccn1 64033499 PWBRKGOSCORCHV-UHFFFAOYSA-N 288.734 3.510 0 40 CHAB O=C(O)CCCCC(=O)c1ccc(Cl)cc1Cl 2579925 JUQCJIWPKSJLQQ-UHFFFAOYSA-N 275.131 3.821 0 40 CHAB Cc1cc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)c(C)s1 46240553 FMURUWUXIWJIFP-DGCLKSJQSA-N 263.406 3.898 0 40 CHAB CCCCCCNC(=O)c1ccc(SC)cc1OC 2743520 JZZBLGGUZRGLJU-UHFFFAOYSA-N 281.421 3.727 0 40 CHAB CCN(CC)C(=O)c1ccc(-c2csc(C)n2)cc1 409376297 WWFHVSKDMXNNAG-UHFFFAOYSA-N 274.389 3.601 0 40 CHAB Cc1cnc(NC(=O)c2sccc2-n2cccc2)s1 25249155 VZBJCOIBLZTUAV-UHFFFAOYSA-N 289.385 3.556 0 40 CHAB C[C@H]1CCCN(C(=S)c2ccc(Cl)cc2)C1 4544706 MKANJXAWRWUKPC-JTQLQIEISA-N 253.798 3.747 0 40 CHAB CC(=O)N1c2ccccc2-c2nc3ccccc3n2[C@@H]1C 6664780 ZWOOOMQPBDKRQE-LLVKDONJSA-N 277.327 3.588 0 40 CHAB S=c1[nH]cc(-c2ccc(Br)cc2)[nH]1 4801762 DJHSGVUEJWOYDR-UHFFFAOYSA-N 255.140 3.502 0 40 CHAB CC[C@@H](c1ccc(F)cc1)N1CCC2(CCCN2C)CC1 95459822 MROQFQNRXHEZDW-KRWDZBQOSA-N 290.426 3.837 0 40 CHAB Cc1cc(C)c(C)c(OCc2nc(-c3ccncc3)no2)c1 4943924 VKEPHUOQTLABSP-UHFFFAOYSA-N 295.342 3.636 0 40 CHAB Cc1ccc2cc(/C=C/C(=O)NC3CCCC3)oc2c1 67339755 CGPDCXZQYLBHOD-CMDGGOBGSA-N 269.344 3.813 0 40 CHAB Cc1cccc2cc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)oc12 71746855 PQNUWMOPFPRTCQ-GASCZTMLSA-N 281.355 3.779 0 40 CHAB Cc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1Cl 7945380 JTDSJNPIGHJJLD-OAHLLOKOSA-N 287.746 3.591 0 40 CHAB O=C(NCc1ccco1)c1ccccc1Nc1ccccc1 17304920 XJQQPNWHQBPOMV-UHFFFAOYSA-N 292.338 3.953 0 40 CHAB CCCOc1ccccc1C(=O)NC1CCCCC1 8560975 RUMHUBMRTOBWSD-UHFFFAOYSA-N 261.365 3.538 0 40 CHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccncc1 8707740 HKQBWQDONBIHTF-JTQLQIEISA-N 275.739 3.618 0 40 CHAB C/N=c1\scc(C23CC4CC(CC(C4)C2)C3)s1 20160143 BYLVOEJDWXZENK-FYWRMAATSA-N 265.447 3.808 0 40 CHAB C[C@H](N[C@@H](c1ccccc1)c1ccccn1)c1cccnc1 89910055 TYIPUAYJUVNGSX-KXBFYZLASA-N 289.382 3.917 0 40 CHAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccccc1 20459913 DZKYPUXKINIMCH-GOSISDBHSA-N 297.398 3.950 0 40 CHAB COc1ccc(OC)c(C(=O)c2cccc(C)c2C)c1 36940086 FOYAFWLVCNBOEL-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB O=C(OC1CCCCC1)c1cc(Br)ccc1O 39951692 YRBDFCPARYWPLJ-UHFFFAOYSA-N 299.164 3.644 0 40 CHAB Cc1cc(Br)c2ccc(Cl)cc2n1 32099868 CTTIWQURANSXAG-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB COc1cccc(-c2cc(-c3cccc(C)c3)nc(N)n2)c1 71977890 MUZJJAVUCXEHSY-UHFFFAOYSA-N 291.354 3.710 0 40 CHAB Cc1ccc(NC(=O)NCc2ccoc2)c(Cl)c1 47699530 FCVNLMAHYOTJPY-UHFFFAOYSA-N 264.712 3.563 0 40 CHAB COc1cccc(-c2cnc(-c3ccccc3C(=O)O)o2)c1 224896690 OSZLEXPFMAORJO-UHFFFAOYSA-N 295.294 3.715 0 40 CHAB O=C(COc1cccc(Cl)c1)NC1CCCCCCC1 222766958 YBZXYUKOQIKNFE-UHFFFAOYSA-N 295.810 3.948 0 40 CHAB COC(=O)c1cc(-n2cccc2)c(Cl)cc1Cl 226244939 OOUYHHILTJQZJP-UHFFFAOYSA-N 270.115 3.571 0 40 CHAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225607913 ZSLOLSGJYOIZKF-QGZVFWFLSA-N 293.407 3.783 0 40 CHAB CC(C)NC(=O)c1cc(N)ccc1N[C@@H](C)c1ccccc1 225458799 DRBCSWIYXWKXKI-ZDUSSCGKSA-N 297.402 3.580 0 40 CHAB Cc1cccc(C[C@H](Sc2ccccc2)C(=O)O)c1 225018882 YDBYLHWRFRVBIN-HNNXBMFYSA-N 272.369 3.783 0 40 CHAB Cc1c2c(nc3ccccc13)CN(c1ccc(F)cc1)C2=O 96319287 QDUVTOHJQFAYJZ-UHFFFAOYSA-N 292.313 3.843 0 40 CHAB O=C(O)c1ccc(C2=CCN(Cc3ccccc3)CC2)cc1 91690318 SBUNJBQMSKVNHG-UHFFFAOYSA-N 293.366 3.674 0 40 CHAB Cc1cc(F)cc(C(=O)c2ccc(F)c(F)c2F)c1 89064280 BYDPVDAZCOXUOO-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB CCCCCCOc1ccc(O[C@H](CC)C(=O)O)cc1 13609232 FZQMMYDBJWKKSW-OAHLLOKOSA-N 280.364 3.888 0 40 CHAB CC[C@H](C)NC(=O)NCc1ccc(Cl)cc1Cl 13746296 KPSNPNRRBUDPLD-QMMMGPOBSA-N 275.179 3.591 0 40 CHAB CC(=O)c1sc2ccccc2c1Br 15042985 QVWNKOMTEBSMMC-UHFFFAOYSA-N 255.136 3.866 0 40 CHAB CC[C@H](C)OC(=O)OCCCC(F)(F)C(F)(F)F 169795800 XVYATOPPTQERJJ-ZETCQYMHSA-N 278.217 3.916 0 40 CHAB Oc1c(-c2[nH]c3ccccc3c2O)[nH]c2ccccc12 18279994 VIFKLIUAPGUEBV-UHFFFAOYSA-N 264.284 3.727 0 40 CHAB in-vitro Cc1ccsc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 14575398 GYYSMYNDRJEGST-SECBINFHSA-N 281.327 3.826 0 40 CHAB FCc1cc(Br)ccc1C(F)(F)F 1504206434 BXGCSWBIUITCHE-UHFFFAOYSA-N 257.024 3.937 0 40 CHAB CSc1cccc(C(=O)C(Cl)(Cl)Cl)c1 307276101 ULWIKNIIHVAGAT-UHFFFAOYSA-N 269.580 3.961 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)Cc1cccc(F)c1 30547997 SSDRVDZQIMBFMF-LLVKDONJSA-N 289.375 3.576 0 40 CHAB Cc1ccc(N/C=C2/Sc3ccccc3NC2=O)cc1 100142780 XEVDFPVGFVASAK-XNTDXEJSSA-N 282.368 3.993 0 40 CHAB COc1cc(OC)c(NC(=O)c2ccccc2)cc1Cl 361708 SAJKJVHSYRFBGH-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc[nH]1 32787316 PXGCMOYLZDGYCL-SNVBAGLBSA-N 262.740 3.501 0 40 CHAB CC1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 577824 OXMGSKMMGROJLP-UHFFFAOYSA-N 295.810 3.756 0 40 CHAB O=C(Nc1ccccc1)c1csc2c1CCCC2 97845 QPWUVWKXEARAIH-UHFFFAOYSA-N 257.358 3.879 0 40 CHAB CC(C)(C)c1ccc(C(=O)N2CCCCCC2=O)cc1 137239 RIOFNKUTYIVIJW-UHFFFAOYSA-N 273.376 3.527 0 40 CHAB CC1(C)[C@]2(C(=O)Nc3ccc(F)cc3)CC[C@@]1(C)C(=O)C2 468028 VINHUFDSNVOWBY-DLBZAZTESA-N 289.350 3.550 0 40 CHAB CC(C)C[C@H](CN(C)C)NC(=O)c1ccc2ccccc2c1 78480266 HHXRFUMFLVTJMJ-GOSISDBHSA-N 298.430 3.546 0 40 CHAB CCN(CCN(C)c1ccccc1)Cc1ccccc1 1563639 JZFQOQCPWNUNRX-UHFFFAOYSA-N 268.404 3.645 0 40 CHAB CN(C)c1cc2c(cc1Cl)-c1ccccc1C2=O 1696168 OXPTVGVRWRLEOZ-UHFFFAOYSA-N 257.720 3.617 0 40 CHAB c1ccc(C[C@@H]2CCC[C@H](Cc3ccccc3)N2)cc1 1747054 VFXVLYPQEFIYDB-KDURUIRLSA-N 265.400 3.983 0 40 CHAB Cc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(C)c1 104609348 LHGUZYCJWNFHQM-QAQJPARQSA-N 299.414 3.573 0 40 CHAB Cc1noc(C)c1COC(=O)c1ccc2ccccc2c1O 23484907 DJPDDBFWGBTWJI-UHFFFAOYSA-N 297.310 3.507 0 40 CHAB CCOc1ccc(-c2csc(N[C@H](C)COC)n2)cc1 6671137 FEGMVVRIBCKRMC-LLVKDONJSA-N 292.404 3.656 0 40 CHAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(F)c1 12554948 LQGLBCJEOFUTQH-GFCCVEGCSA-N 298.361 3.754 0 40 CHAB COC(=O)[C@H]1[C@H]2CC[C@H]3[C@H]2C(C)(C)CCC[C@]31C 103978312 ZARSCFPHBAVOKJ-VGBQHSPPSA-N 250.382 3.648 0 40 CHAB COc1ccc2c(C=O)cn(Cc3ccccc3)c2c1 34925337 TVYIIRJYNWCYPV-UHFFFAOYSA-N 265.312 3.511 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)NC2CCCCC2)c(C)c1 28221247 UYQJEIHTQVWKQS-CQSZACIVSA-N 274.408 3.996 0 40 CHAB CCN(Cc1cccs1)C(=O)Nc1ccc(OC)cc1 58355734 QJHRKDUJXZKVOF-UHFFFAOYSA-N 290.388 3.811 0 40 CHAB CCOC(=O)CCCCCC(=O)c1c(F)cccc1F 2243645 DBHCLKCHVPPWFB-UHFFFAOYSA-N 284.302 3.661 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccccc1 36387082 HXRFGQFZACCUOW-FVQBIDKESA-N 259.393 3.877 0 40 CHAB Fc1cccc(C[n+]2ccc(Cc3ccccc3)cc2)c1F 29393770 VIUPFPAGRLBWRR-UHFFFAOYSA-N 296.340 3.891 0 40 CHAB FC(F)(F)c1ccccc1N1C[C@H]1c1ccncc1 4050175 LGXMMBXIRKQDMV-YTJLLHSVSA-N 264.250 3.662 0 40 CHAB Cc1ccc(C)c(COC(=O)c2ccc3nccnc3c2)c1 5421239 HAIMDTUUAZSLTH-UHFFFAOYSA-N 292.338 3.604 0 40 CHAB CCc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1 7057596 RJTVSZVQODWMCK-ZDUSSCGKSA-N 268.360 3.688 0 40 CHAB Cc1ccc2sc(/C=C/c3cnn(C)c3)nc2c1 15480275 BHSDAIOMUHHKAH-GQCTYLIASA-N 255.346 3.509 0 40 CHAB Cc1ccccc1COc1ccc(CCC(=O)O)cc1 62153268 ZBNALTJJGJWUHK-UHFFFAOYSA-N 270.328 3.591 0 40 CHAB Nc1ccc(-c2nnc(Nc3ccccc3)s2)cc1 8844782 ZVGBMOFHHUTWEZ-UHFFFAOYSA-N 268.345 3.531 0 40 CHAB in-vitro CCSc1ccc([C@H](C)NCc2nnc(C)s2)cc1 95984889 BZNCPYCCEZOTIQ-JTQLQIEISA-N 293.461 3.809 0 40 CHAB Cc1nc(NC(=O)C2(c3ccccc3)CCC2)sc1C 25320516 AHAJXSUYXYDUJP-UHFFFAOYSA-N 286.400 3.820 0 40 CHAB Cc1ccc2cccc(OCC(=O)c3ccc(F)cc3)c2n1 28047703 HBNQEHHCCLUHHW-UHFFFAOYSA-N 295.313 3.944 0 40 CHAB Cc1ccc(OC[C@H](C)NC(=O)Nc2ccccc2)cc1 67004218 XCGQGXCVFUCJLY-AWEZNQCLSA-N 284.359 3.584 0 40 CHAB Cc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@@H](O)CC[C@@H]3[C@@H]1C=C2 61852151 WCHXTGUTQVBYIP-BCDMZGRMSA-N 284.399 3.998 0 40 CHAB Cc1ccc(CCCNC(=O)Cc2cc(C)ccc2C)cc1 30865243 PFEJJADCJQFCQB-UHFFFAOYSA-N 295.426 3.903 0 40 CHAB COc1ccc(-c2ccc(C(C)=O)cc2)c(OC)c1 38071812 QVXJBDMUERVNCI-UHFFFAOYSA-N 256.301 3.573 0 40 CHAB CC(=O)N1CCCC[C@H]1c1cncc(-c2ccccc2C)n1 72366339 GPCABUJOTFXSOZ-SFHVURJKSA-N 295.386 3.526 0 40 CHAB C[C@@H](S[C@@H](C(N)=O)c1ccccc1)c1cccs1 77961494 FMMKFWGLDKDKTN-ZWNOBZJWSA-N 277.414 3.769 0 40 CHAB c1ccc(CN2CCOc3nc4ccccc4cc3C2)cc1 72392265 JEYMBXDQKAJUKZ-UHFFFAOYSA-N 290.366 3.629 0 40 CHAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)OCc1ccccc1 225062451 UAPLUHZOGLDWAI-OAHLLOKOSA-N 290.746 3.553 0 40 CHAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cccnc2)c1 225538838 CNUORNZMNRGJIC-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB CCCOc1cccc(C(=O)Nc2ccc([C@@H](C)O)cc2)c1 226273345 LGOMVBVYAAXSEV-CYBMUJFWSA-N 299.370 3.781 0 40 CHAB CC(C)c1nc2ccc(NC(=O)c3ccco3)cc2[nH]1 40266419 OJNHFXCYYWOPJY-UHFFFAOYSA-N 269.304 3.532 0 40 CHAB CC(C)(C)c1ccc(CN2CCCC[C@H]2CCO)cc1 49801345 QSJYAJPMGBWTRM-KRWDZBQOSA-N 275.436 3.721 0 40 CHAB COc1ccc([C@@H]2COc3ccc(Cl)cc3N2)cc1 96531168 OZELXJOMIUMUDG-AWEZNQCLSA-N 275.735 3.894 0 40 CHAB O=C(CCSCc1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 247804918 YNBNIRZUMMKNMA-HRCADAONSA-N 289.444 3.615 0 40 CHAB Cc1nn(C(C)C)cc1NCc1cc(F)cc(F)c1 256052179 MFHVGFVLIJVGSX-UHFFFAOYSA-N 265.307 3.663 0 40 CHAB C[C@H](Cc1ccoc1)NC(=O)Nc1cccc(Cl)c1 84855215 IYONAQJKPLWGEF-SNVBAGLBSA-N 278.739 3.686 0 40 CHAB O=CC1=C(Cl)c2ccc(Br)cc2CC1 147695148 JLAWNVGWIMCAHR-UHFFFAOYSA-N 271.541 3.544 0 40 CHAB O=C(COc1ccccc1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001321 LXZSMSCOOQTUFJ-IRXDYDNUSA-N 297.398 3.699 0 40 CHAB C(=C1C[C@@H]2CC[C@H](C1)N2Cc1ccncc1)C1CC1 1776009476 OZPNEOWDWUOCIM-CALCHBBNSA-N 254.377 3.545 0 40 CHAB Fc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1 72204 WUQIRLPJIDQBKN-LBPRGKRZSA-N 278.352 3.540 0 40 CHAB Cn1c(-c2ccccc2)[n+](C)c2cccc3cccc1c32 5334718 FLZGTTNCKGKPMC-UHFFFAOYSA-N 273.359 3.823 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cc(C)ccc2O)c1 20006514 RLLDTNGZNQBVCD-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB CC[C@H](N[C@H](C)[C@@H]1CCCO1)c1cccc(Cl)c1 20206775 QODXJDMWWUXMEG-UGFHNGPFSA-N 267.800 3.948 0 40 CHAB CCCCN(CCCC)C[C@@](C)(O)c1ccccc1 5551889 ZTEXDCBRMUKYRD-QGZVFWFLSA-N 263.425 3.796 0 40 CHAB COc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1C 30979539 UEJIBDCTPHUFAT-QGZVFWFLSA-N 295.382 3.763 0 40 CHAB CC[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 20124413 OQCRGGAWRHBOSL-OAHLLOKOSA-N 287.334 3.795 0 40 CHAB COc1cccc(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)c1 101657415 XVYDBBUGYNTGMA-AWEZNQCLSA-N 287.746 3.627 0 40 CHAB C[C@@H](NC(=O)N[C@H]1CCc2ccccc21)c1cccs1 32801874 PIXORSYGRILXOX-RISCZKNCSA-N 286.400 3.796 0 40 CHAB COc1ccc(-c2cnc(CN3CCC(C)CC3)o2)cc1 41362377 SNFHJYJSKGFFJX-UHFFFAOYSA-N 286.375 3.582 0 40 CHAB C[C@@H]1CO[C@@H](Cn2c3ccccc3c3ccccc32)O1 545849 AFHSKLXOUIJSRM-SJKOYZFVSA-N 267.328 3.556 0 40 CHAB O=C(Nc1ccc(-c2ccccc2)cc1)C(F)(F)F 38678 UEZRDXDUQAKINL-UHFFFAOYSA-N 265.234 3.854 0 40 CHAB FC(F)(F)c1nc2c(Cl)cc(Cl)cc2[nH]1 54181 CAFBQHRMRGNHME-UHFFFAOYSA-N 255.026 3.889 0 40 CHAB CCc1ccc(NC(=O)[C@H](CC)n2cc(Cl)cn2)cc1 2805332 SIFSZMKJMNMJMI-AWEZNQCLSA-N 291.782 3.689 0 40 CHAB O=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)O)c1 147806 HVDMKXAUKVSFJL-UHFFFAOYSA-N 290.706 3.682 0 40 CHAB CNC(=O)c1ccc(CN[C@@H](c2ccccc2)C(C)C)cc1 74230034 NMLIOAFOYQHIOH-GOSISDBHSA-N 296.414 3.533 0 40 CHAB Cc1ccc2sc(NC[C@H]3CCCO3)nc2c1C 42379425 OQYRNVJYGQELRD-LLVKDONJSA-N 262.378 3.504 0 40 CHAB CCCCCCOC(=O)[C@@H](O)[C@](C)(Cl)c1ccccc1 1734200 MHDWYAISCVMFJV-GDBMZVCRSA-N 298.810 3.625 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cc(F)c(Cl)cc1Cl 42673840 RHFOZDXALJMSIU-FXQIFTODSA-N 290.165 3.966 0 40 CHAB O=C(OCc1ncc(-c2ccccc2)o1)[C@@H]1C[C@H]2CC[C@H]1C2 105640647 CCXMZUXRRMZVBK-AEGPPILISA-N 297.354 3.821 0 40 CHAB O=C(Nc1cccc2ccccc12)[C@@H]1C[C@@H]2C=C[C@H]1C2 6476739 RURBIKBEHAPQDM-IVMMDQJWSA-N 263.340 3.991 0 40 CHAB O=C(Nc1ccccc1O)c1ccc(Cl)c(Cl)c1 1740948 KDKKARRCQSQIHZ-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)cc1 9141612 NFEZZQCEWVRPET-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB COc1ccccc1NC(=O)CCc1cccc(C)c1 9387103 HTJKAIOBUMVVBK-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB CCOc1ncccc1C(=O)Nc1ccc(C)cc1Cl 9478671 HDDULHGIUMTMON-UHFFFAOYSA-N 290.750 3.694 0 40 CHAB CCOC(=O)C(C)(C)CC(=O)c1ccc(SC)cc1 2379022 DWRNVUCGRORFCU-UHFFFAOYSA-N 280.389 3.571 0 40 CHAB COCc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C 46033214 YKSGVQNFCPBWIP-TZMCWYRMSA-N 276.380 3.533 0 40 CHAB CC(=O)c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 2622685 MVMIAIBKLMFFDT-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](C)OC(=O)c1ccc(F)cc1 3904974 UWBNPVDYTHSVEP-HZSPNIEDSA-N 293.382 3.634 0 40 CHAB Cc1ccc(C)c(NC(=O)N(CC(C)C)C2CC2)c1 49253883 WOKUMNBYYTXTRX-UHFFFAOYSA-N 260.381 3.956 0 40 CHAB O=P(O)(O)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 65475843 ZFFFHKYAHRMQJM-CYBMUJFWSA-N 297.678 3.628 0 40 CHAB COc1cccc2c1O[C@H](C)N1N=C(c3ccccc3)C[C@@H]21 5562864 RDVAKRDQKQGPIM-WBMJQRKESA-N 294.354 3.585 0 40 CHAB COc1ccc(C)cc1NC(=O)c1c(F)cccc1F 5701489 LPCPIYFKOGBDMY-UHFFFAOYSA-N 277.270 3.534 0 40 CHAB Clc1ccc(OCCn2ncc3ccccc32)cc1 15413759 WYFOFDDRXJEHRU-UHFFFAOYSA-N 272.735 3.769 0 40 CHAB Clc1cncc(NCC2(c3ccccc3)CCC2)n1 70037477 BWURAZGIHYSRCR-UHFFFAOYSA-N 273.767 3.664 0 40 CHAB COc1ccc2oc(C(=O)NC[C@H](C)C(C)C)c(C)c2c1 89568196 IRWZLOHNWSYDNU-NSHDSACASA-N 289.375 3.772 0 40 CHAB CCN1C(=O)/C(=C\C=C\c2ccco2)c2ccccc21 409112216 FKQVXYHTJXOJQO-MSLGXNKOSA-N 265.312 3.743 0 40 CHAB CCCCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 409321633 UBWZXWQTEHJOEC-RAXLEYEMSA-N 291.372 3.532 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)C2CCCCC2)c1 30869511 QAARSAUFKQBHJL-HNNXBMFYSA-N 289.419 3.862 0 40 CHAB CC(C)Nc1ncc(CNC(C)(C)CC(C)(C)C)cn1 62717630 FGKDGUNFHXDQQJ-UHFFFAOYSA-N 278.444 3.601 0 40 CHAB CC(C)N(c1ncccc1[C@H]1CCCCN1C)C(C)C 72213031 YMWDGNHZDNMBEL-MRXNPFEDSA-N 275.440 3.862 0 40 CHAB Cc1cccc(C(=O)NCCCOC2CCCCC2)c1C 39985531 FTBMHRDGJTZDST-UHFFFAOYSA-N 289.419 3.773 0 40 CHAB O[C@H](c1ccc(F)cc1)c1ccccc1Br 39206770 BSDDNYJEIVCQEZ-CYBMUJFWSA-N 281.124 3.670 0 40 CHAB c1ccc(Oc2ncccc2[C@H]2CCCCN2)cc1 72212212 XLBLZEAWCCWOOE-OAHLLOKOSA-N 254.333 3.689 0 40 CHAB COc1ccc(NC(=S)Nc2ccc(F)cc2)cc1F 71325900 BPBRRBWYBVWVOL-UHFFFAOYSA-N 294.326 3.782 0 40 CHAB CCCN1CCC[C@@H]1c1cccnc1NCC(C)C 72213255 RQCYYUSWBMBGSB-OAHLLOKOSA-N 261.413 3.696 0 40 CHAB O=Cc1c(-c2ccc(Cl)cc2F)noc1Cl 71976781 LPMCKLIZNRLWBQ-UHFFFAOYSA-N 260.051 3.600 0 40 CHAB O=C(NCc1cccs1)c1ccc(-c2ccco2)o1 72243264 AHKVWKRELJHIAG-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB Clc1ccc(Cc2nc(Cl)c3c(n2)CCC3)cc1 42400167 AEZAJXNIAUQLPZ-UHFFFAOYSA-N 279.170 3.863 0 40 CHAB NCc1ccc2c(F)cc(Br)cc2c1Cl 199713128 HQKWGRRAXWOAGB-UHFFFAOYSA-N 288.547 3.854 0 40 CHAB Cc1ccc(C(=O)NCCSC2CCCC2)c(C)c1 46450311 GUZAUABLNVWMIL-UHFFFAOYSA-N 277.433 3.709 0 40 CHAB CCCNCc1c(C)[nH]c2ccc(OCCC)cc12 223766899 NOLHOVIWHPCXGN-UHFFFAOYSA-N 260.381 3.765 0 40 CHAB Cc1ccccc1CNC(=S)Nc1c(F)cccc1F 225309371 DXGNPFHHXQQVDI-UHFFFAOYSA-N 292.354 3.760 0 40 CHAB Cc1ccc(C(=O)c2cccc(Cl)c2Cl)nc1 45028570 FSLOLUUJKOMRKX-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1ccc([C@H](C)NC(=S)Nc2cc(C)ccn2)cc1 225470942 VSMKSFWUDHBQEZ-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)c1cnc(C2CC2)nc1 222595172 HHABAMNPZJCARK-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB Cc1ccc(C(=O)CCC(=O)c2cccs2)cc1 136550579 HLQALWNJMWNTDB-UHFFFAOYSA-N 258.342 3.902 0 40 CHAB Fc1ccc(CNc2nc3ccccc3o2)c(F)c1 50197777 YUDLWUHNHWUZMA-UHFFFAOYSA-N 260.243 3.718 0 40 CHAB CCN(CC)Cc1cc(C)ccc1Br 90413900 GZHJZMMMLDQTFB-UHFFFAOYSA-N 256.187 3.599 0 40 CHAB Cc1nccn1-c1cccc([C@H]2CCCN2C2CCCC2)n1 257235474 GXZUALRXYWUIBX-QGZVFWFLSA-N 296.418 3.655 0 40 CHAB Cc1cn2c(CNCc3ccccc3)c(Cl)nc2s1 256053647 SGNQEYIYHAWLRY-UHFFFAOYSA-N 291.807 3.647 0 40 CHAB CC(C)CNC(=O)CCc1ccc(Cl)cc1Cl 44597217 LBODFKNNPDJBPL-UHFFFAOYSA-N 274.191 3.698 0 40 CHAB CC(C)(C)C(=O)Nc1c(Cl)ccc(C(=O)O)c1Cl 96171684 HHTOSQISOQPATH-UHFFFAOYSA-N 290.146 3.676 0 40 CHAB CNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 5910010 IUXGNVLEJQCBHJ-UHFFFAOYSA-N 291.778 3.647 0 40 CHAB O=C(CSCc1ccc(Cl)cc1)N1CCCCCC1 20238112 NTQQRHZRGKOLBN-UHFFFAOYSA-N 297.851 3.976 0 40 CHAB CC(C)(C)NCc1ccc(-c2cccc(C(=O)O)c2)o1 13730280 MCEKPGDYNCYADO-UHFFFAOYSA-N 273.332 3.533 0 40 CHAB CCCc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 13249119 WFLQPDPCYNOPPK-UHFFFAOYSA-N 289.375 3.613 0 40 CHAB c1cc(-c2cnc(N3C[C@H]4CC[C@H]3C4)nc2)c2cc[nH]c2c1 1888909689 IVXYTUYOUXJPDU-JSGCOSHPSA-N 290.370 3.614 0 40 CHAB COc1ccc(-c2cc(O)n(-c3ccc(C)c(C)c3)n2)cc1 100072176 KRHGMKXFGPCIMQ-UHFFFAOYSA-N 294.354 3.870 0 40 CHAB Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 6331786 SDXHCPILVHHMBE-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 10427986 JUSFVFWCFIOOOY-UHFFFAOYSA-N 279.343 3.764 0 40 CHAB Cc1cc(NC(=O)c2cc3cc(Cl)ccc3o2)no1 10435010 QYENHAQZIBKMMF-UHFFFAOYSA-N 276.679 3.635 0 40 CHAB CCOc1ccc(Nc2ncnc3ccccc23)cc1 143904 FMRSPMVZDZDMOJ-UHFFFAOYSA-N 265.316 3.772 0 40 CHAB Cc1ccnc(NC(=O)c2oc3ccccc3c2C)c1 235251 HRKQCTSZQZQODH-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CC(C)(C)CC(=O)Nc1nnc(CC(C)(C)C)s1 380312 JTPRFQNXUANLGS-UHFFFAOYSA-N 269.414 3.501 0 40 CHAB C[C@H](Sc1cccc2cccnc12)C(=O)NC(C)(C)C 52424429 PYYNQTDZWABSNF-NSHDSACASA-N 288.416 3.630 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cn1 32895541 HXLUCLUQWGQOMT-UHFFFAOYSA-N 254.333 3.766 0 40 CHAB O=C(Nc1ccccc1N1CCCC1)c1cc(Cl)c[nH]1 22645308 DNLCDMQKBXRWQZ-UHFFFAOYSA-N 289.766 3.521 0 40 CHAB O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 44734 IMJRVLOUNFCYRI-QHSBEEBCSA-N 293.366 3.538 0 40 CHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Cl)nc2)s1 78494556 RRRPTAKQUANTLD-MNOVXSKESA-N 292.791 3.847 0 40 CHAB CCc1cnc(CSc2cc(OC)c(OC)cc2C)o1 78970474 IUIOCCRBSSWSEU-UHFFFAOYSA-N 293.388 3.855 0 40 CHAB CC[C@@H](C)c1ccc(OC[C@@H](C)OC(C)=O)cc1 1583898 FIKUKQZUOAUUJA-VXGBXAGGSA-N 250.338 3.531 0 40 CHAB Cc1ccc([C@@H](C(=O)O)C(Cl)(Cl)Cl)cc1 1599869 LSVNTHGUMBEXII-QMMMGPOBSA-N 267.539 3.533 0 40 CHAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1O 6884604 NJAURXOMJSOUEV-UHFFFAOYSA-N 293.775 3.776 0 40 CHAB Cc1ccc(NC(=S)NCc2ccccc2F)cc1 7561418 OHPIOUVNXJHVMB-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB OC1=Nc2ccccc2C(c2ccc(Cl)cc2)=NC1 34490980 NTVANYIWXRUGQR-UHFFFAOYSA-N 270.719 3.779 0 40 CHAB C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccccc1Cl 95389745 PVWOAYIOLDHXGL-STQMWFEESA-N 295.810 3.676 0 40 CHAB Cc1ccc(COc2ccc(-c3nnco3)cc2)cc1 1406064 TYQWIGAIJAUOMY-UHFFFAOYSA-N 266.300 3.624 0 40 CHAB CSc1ccc(C)c(C(=O)N2CCCCCC2)c1 58086748 JXRKFLXCAGOWPA-UHFFFAOYSA-N 263.406 3.733 0 40 CHAB CC(C)c1ccccc1OCC(=O)NCc1cccs1 3333876 ZHPCGLGGEQQJNX-UHFFFAOYSA-N 289.400 3.567 0 40 CHAB Cc1ccc([C@H](O)CN[C@H](C)CCc2ccccc2)cc1 76082204 AEOIERRZSZMVIE-VQIMIIECSA-N 283.415 3.639 0 40 CHAB CCOC(=O)c1ccccc1C(=O)CCc1cccc(C)c1 2516420 OKVVXADCZFGKSB-UHFFFAOYSA-N 296.366 3.987 0 40 CHAB O=C(OCc1ccc(F)cc1)c1cc2c(s1)CCC2 2642739 MWCJBGCVFVLHQF-UHFFFAOYSA-N 276.332 3.733 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(C)cc1 113954690 CEOBIZQFODOEDL-OAHLLOKOSA-N 297.398 3.641 0 40 CHAB Cc1cccc(NC(=O)CN2CCSc3ccccc32)c1 3454065 UXSGCKIKVUKMJC-UHFFFAOYSA-N 298.411 3.546 0 40 CHAB NC(=O)c1ccccc1OCc1c(Cl)cccc1Cl 3532709 QQRKDLHRWTXSIJ-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB CC1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1 12947759 FBBXUHRKZYNYHY-UHFFFAOYSA-N 271.404 3.874 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1C[C@@H]1c1ccccc1 6340762 MQPGNHOUIMXJOI-OOJYJCHZSA-N 295.426 3.875 0 40 CHAB CCN(CCC(F)(F)F)C(=O)c1ccc2ccccc2n1 65593578 JRZMWGNBRZHGRV-UHFFFAOYSA-N 296.292 3.649 0 40 CHAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccncc1 65542815 LBMMXSGKTNQGST-SNVBAGLBSA-N 291.301 3.585 0 40 CHAB CC(C)COCCCNC(=O)Nc1cccc(Cl)c1 14196626 UTIORMLDJLMVDK-UHFFFAOYSA-N 284.787 3.524 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(Cl)nc2)[C@@H]1C 95442129 FOCMCWDVQRCIOP-PEJSDEEISA-N 292.810 3.689 0 40 CHAB CC[C@@]1(C)N=C(S)C(c2ccc(Br)cc2)=N1 67240493 LEVIWDCCXVSXDD-GFCCVEGCSA-N 297.221 3.706 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc2cccnc12 7989338 XHDWRKUGUJAOTQ-UHFFFAOYSA-N 288.350 3.976 0 40 CHAB C[C@@H](Sc1ccccn1)C(=O)N1c2ccccc2C[C@H]1C 9967666 SXQRTSLCBSUKAJ-CHWSQXEVSA-N 298.411 3.540 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)Nc1ccc(C(C)C)cc1 27927210 DOKLGPSMRAUWCB-UHFFFAOYSA-N 286.379 3.804 0 40 CHAB Cc1cccc(-c2cccc([C@@H]3CCCNC3)n2)c1 72343725 MQTGIXTUENESDK-OAHLLOKOSA-N 252.361 3.524 0 40 CHAB C[C@@H]1CCCN(Cc2c(C3CC3)[nH]c3ncccc23)C1 72393354 KOACDBZYQWAWEP-GFCCVEGCSA-N 269.392 3.672 0 40 CHAB O=C(O)C1(c2ccccc2C(F)(F)F)CCCC1 75932651 HTPNEUMCDKIINN-UHFFFAOYSA-N 258.239 3.602 0 40 CHAB CC(C)CN1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 72215944 PJJYMBMZBDOSSN-QGZVFWFLSA-N 287.451 3.865 0 40 CHAB CCCOc1ccc2c(c1)c(C(C)=O)c(C)n2CC 223772793 OFXDPWFEMOFQGC-UHFFFAOYSA-N 259.349 3.961 0 40 CHAB Cc1cccc(NC(=O)c2snnc2-c2ccccc2)c1 225758809 GSYAQADCWSIYNZ-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1c(N)cccc1[C@H](O)c1cccc2ccccc12 226294493 KNWWJRIKCYOLHJ-SFHVURJKSA-N 263.340 3.812 0 40 CHAB C[C@@H]1CC(=O)Nc2c(Cl)cc(Br)cc21 225811371 CZUJHHUIDZNIAA-RXMQYKEDSA-N 274.545 3.548 0 40 CHAB CCN(CC)c1c(N)cc(Cl)cc1Br 45886126 VYZVPIBDASDJPP-UHFFFAOYSA-N 277.593 3.531 0 40 CHAB C[C@H]1CC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C1 199727127 IRRLCZMHDOKRTD-MRVPVSSYSA-N 295.169 3.944 0 40 CHAB FC(F)(F)c1c(Cl)ccnc1Br 95761936 GMPWMGQYHMBRQC-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB CCOc1ccc([C@H](O)c2ccc(Cl)cc2)cc1 40243885 POGUZKHYQZDBEY-OAHLLOKOSA-N 262.736 3.820 0 40 CHAB Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 90411498 JALMAQGNJWSABQ-UHFFFAOYSA-N 253.223 3.956 0 40 CHAB in-vitro C[C@@H]1CCC[C@@H](C)N1c1ccc(N)cc1Br 226316370 KSZBCYNMUUEHKE-NXEZZACHSA-N 283.213 3.799 0 40 CHAB Oc1ccccc1Nc1ncnc2sc3c(c12)CCC3 6923277 HNHMVLPANYGFMG-UHFFFAOYSA-N 283.356 3.629 0 40 CHAB CC[C@@H](C)[C@@H]1CC1(Br)Br 1711601 FRDCOCGDTNKQFV-RITPCOANSA-N 255.981 3.539 0 40 CHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1CCCCC1 3607467 QNRMJCMFCPZIJT-GFCCVEGCSA-N 295.810 3.865 0 40 CHAB Cc1cc(C)cc(C(=O)NCC2(c3cccs3)CC2)c1 22680094 ZSMHDGIFBKTDBC-UHFFFAOYSA-N 285.412 3.827 0 40 CHAB CCCOc1cc(CN2CCCCC2)cc(C(C)=O)c1 2332843 RDGDHEVIUDYPMN-UHFFFAOYSA-N 275.392 3.664 0 40 CHAB c1ccc(-c2cnc(CN3CCc4ccccc4C3)o2)cc1 23731990 RPHMQOINDLUAFO-UHFFFAOYSA-N 290.366 3.900 0 40 CHAB Cc1ccc(NC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 6922935 PEFGLBUQBGPATL-MJBXVCDLSA-N 258.365 3.553 0 40 CHAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccccc1 52923 WZRWOAOTPYJTJE-UHFFFAOYSA-N 296.351 3.712 0 40 CHAB Cc1ccc(C)c(NC(=O)N[C@H](C)c2ccncc2)c1 40525207 IFMXSXZXUZEZME-CYBMUJFWSA-N 269.348 3.581 0 40 CHAB CCc1ccccc1NC(=O)N(Cc1ccccn1)C1CC1 40526467 SICVDBCRYZKYBT-UHFFFAOYSA-N 295.386 3.841 0 40 CHAB Cc1nc(S)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 101264100 YCZNZRUNJQNQBS-ZDEQEGDKSA-N 250.411 3.786 0 40 CHAB Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1 217274 YDWXOUSZTLISCA-MLGOLLRUSA-N 282.387 3.852 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)NCCc2ccccc2)C1(C)C 356663 FHSCASJCQIFIIY-HZPDHXFCSA-N 271.404 3.584 0 40 CHAB CCSCCOC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 1665517 AHHCIGZRDUITRB-NEPJUHHUSA-N 256.411 3.521 0 40 CHAB O=C(O)[C@@H](CC[C@@H](C(=O)O)c1ccccc1)c1ccccc1 1688201 ZEUFEFSWMUFREP-IYBDPMFKSA-N 298.338 3.503 0 40 CHAB CCCCOCC[C@@](F)(Cl)C(F)(F)Cl 2530676 XSOXUCDHVXCXMG-ZETCQYMHSA-N 253.091 3.929 0 40 CHAB biogenic COc1ccccc1C(=O)c1ccc(Br)cc1 2574615 JODQDJQTOLNYPX-UHFFFAOYSA-N 291.144 3.689 0 40 CHAB C[C@@H](Nc1ncnc2sccc12)c1ccccc1 2640359 PKUUIPIUCXLTDX-SNVBAGLBSA-N 255.346 3.864 0 40 CHAB CCC(C)(C)NC(=O)/C=C/c1cccc(Br)c1 2648743 IHUUNKGUBGFYRV-CMDGGOBGSA-N 296.208 3.767 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)c1cc(C)ccc1C 3356576 DDHUQGFDXQTTIC-CQSZACIVSA-N 283.371 3.803 0 40 CHAB Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 3562466 QZVYQYBZRHOKTG-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)C[C@@H]2COC(=O)c1ccc(N)cc1 3846354 YVLDLIKDVQTDRK-SIIHOXLZSA-N 287.403 3.888 0 40 CHAB O=C(O)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 4539913 NZDQLMTWHXCQNS-UHFFFAOYSA-N 273.675 3.846 0 40 CHAB C[C@](O)(c1ccccc1)[C@H](c1ccccc1)[C@@H]1CCCCN1 4783481 KDFJCXJFHLCCRU-ZCNNSNEGSA-N 295.426 3.820 0 40 CHAB O=C(OCc1ccccc1F)c1cc2ccccc2[nH]1 5531679 GDDSVVLZHKXXGL-UHFFFAOYSA-N 269.275 3.664 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1Cl 5583764 HFCQDEOKINDBAS-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB Cc1ccc2[nH]c(C(=O)Nc3ccccc3)cc2c1 6234318 PMIAQSIDRIUILX-UHFFFAOYSA-N 250.301 3.729 0 40 CHAB aggregator CC(C)NC(=S)N[C@H](C)c1cccc2ccccc12 7619254 BOQCAYWSTKXAII-GFCCVEGCSA-N 272.417 3.773 0 40 CHAB C[C@H](NC(=O)c1ccc2ccccc2c1)c1ccco1 7741418 WSXWZRRMGZFYTA-LBPRGKRZSA-N 265.312 3.924 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1 8941651 QYDFXHYWYYFZFA-GFCCVEGCSA-N 258.321 3.779 0 40 CHAB CC(=O)Nc1ccc(NC(=O)CC2CCCC2)cc1Cl 12736227 MPUYFLLPQFVYTP-UHFFFAOYSA-N 294.782 3.817 0 40 CHAB CCONC(=O)[C@H](Sc1ccccc1)c1ccccc1 12849005 CXMCWJMJISTXDS-OAHLLOKOSA-N 287.384 3.588 0 40 CHAB O=C(c1ccccc1OCc1ccccc1)N1CCCC1 13686919 FHWKXGIPYYRFSW-UHFFFAOYSA-N 281.355 3.502 0 40 CHAB CC(C)(C)C(=O)NCC1(c2cccs2)CCCC1 13803112 LUMJJWDIVUZOOV-UHFFFAOYSA-N 265.422 3.722 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 14199342 FGDYPJXPFDVLJO-AAEUAGOBSA-N 287.359 3.713 0 40 CHAB O=C(Nc1nnc(C2CCCCC2)s1)C1CCCC1 14679060 KFYGEQLMXOXQOG-UHFFFAOYSA-N 279.409 3.715 0 40 CHAB COc1ccc(C(=O)Nc2cccc3ccc(C)nc23)cc1 15835215 OVHGMBYLKWCFHC-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2)o1 16705362 QZHMVMJANOZTRA-PMENNHOYSA-N 281.355 3.733 0 40 CHAB C[C@H](N[C@H]1CCCc2ccccc21)c1ccccn1 20123788 HZMWQSQIQIEMSN-GUYCJALGSA-N 252.361 3.810 0 40 CHAB c1ccc(N2CC[C@H](CNc3nc4ccccc4o3)C2)cc1 29624693 NESVBHYWIGJDLW-CQSZACIVSA-N 293.370 3.766 0 40 CHAB Cc1ccccc1CN[C@@H](c1ccccc1)c1nccn1C 30643124 VIFCOBGEZUFIDS-SFHVURJKSA-N 291.398 3.608 0 40 CHAB COc1ccc2nc(NC(=O)C[C@@H]3C=CCC3)sc2c1 32738546 SAUCGGDCYHEYRE-SNVBAGLBSA-N 288.372 3.600 0 40 CHAB O=C(NCC1CC1)c1cc2c(s1)-c1ccccc1CC2 32906058 QXQKBEFXODOQLC-UHFFFAOYSA-N 283.396 3.654 0 40 CHAB O=C(c1ccccc1Cl)C(Cl)(Cl)Cl 33753807 VLTJQHYMIFWMOD-UHFFFAOYSA-N 257.931 3.893 0 40 CHAB Cc1ccc(C(=O)c2cc(F)ccc2F)cc1F 37354052 BJOLHZDWERXISG-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccccc1)C2 38199297 NTWLHHBGBISWLH-JJRVBVJISA-N 257.377 3.631 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)o1 40107703 NVYAQUFXIRSMEN-GFCCVEGCSA-N 261.346 3.627 0 40 CHAB CC[C@@H](C)n1c(CCCO)nc2ccc(Cl)cc21 40407677 SBLBSZBHQBIJHJ-SNVBAGLBSA-N 266.772 3.586 0 40 CHAB Cc1cc(F)ccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 43420642 YXQYMBLCAGMOMD-ZWNOBZJWSA-N 264.344 3.834 0 40 CHAB c1ccc2sc(SC[C@@H]3CCCCN3)nc2c1 43495209 DECPXOQQKFMPGP-JTQLQIEISA-N 264.419 3.531 0 40 CHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCCC2)c1 49890976 FJOGJOXYROURTD-AWEZNQCLSA-N 275.392 3.508 0 40 CHAB CC(C)c1nc(-c2ccccc2Cl)ncc1C(=O)O 50438916 CJIZEKSVMXLPJA-UHFFFAOYSA-N 276.723 3.619 0 40 CHAB C[C@H](NCc1cnc[nH]1)c1ccc(Cl)cc1Cl 54763238 PPPZCRJARRXFDT-QMMMGPOBSA-N 270.163 3.567 0 40 CHAB Cc1ccc(N[C@H](C)c2c(F)cccc2F)cc1C(N)=O 71902690 ZJOWKARPFOEJHU-SNVBAGLBSA-N 290.313 3.545 0 40 CHAB CCCCN1CCCC[C@@H]1c1cccnc1OCC 72211863 JIZSCYOCYBZTCG-OAHLLOKOSA-N 262.397 3.807 0 40 CHAB CC(C)N1CCCC[C@H]1c1ccc(NC2CC2)nc1 72213799 PTTNMSQWJDHPPA-HNNXBMFYSA-N 259.397 3.591 0 40 CHAB C[C@@H]1COc2ccc3cc(Br)ccc3c2C1=O 85399413 GFGHGDFGWNVGCG-MRVPVSSYSA-N 291.144 3.814 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)N1CCC[C@@H]1c1ccc[nH]1 89767975 YYEZDAUMECNIGC-CQSZACIVSA-N 291.301 3.662 0 40 CHAB CN1O[C@H](c2ccc(Cl)cc2)C[C@]1(C)c1cccnc1 90487505 DHTJFQWHCVTNRY-JKSUJKDBSA-N 288.778 3.959 0 40 CHAB in-vitro C[C@H](O)c1cc(C(F)(F)F)ccc1C(F)(F)F 91252068 JQSGCKQDLFXCFT-YFKPBYRVSA-N 258.161 3.778 0 40 CHAB Fc1cc(OC(F)(F)Cl)cc(F)c1Br 95215526 NEYJHESXSQLYJU-UHFFFAOYSA-N 293.441 3.895 0 40 CHAB CC(C)(C)c1ccc(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 95634000 FCMRRKGQHMNKGE-CABCVRRESA-N 286.371 3.834 0 40 CHAB C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1 95968125 AJWXTGBRHMKPDP-BBATYDOGSA-N 287.856 3.538 0 40 CHAB CC(C)(C)c1ccc(=O)n(Cc2cc3ccccc3s2)n1 96006448 DVMSJAFXZMDGGU-UHFFFAOYSA-N 298.411 3.804 0 40 CHAB C=Cc1ccc(O[C@@H](C)OCC)c(O[C@@H](C)OCC)c1 146267332 XVPZIOWIVKQPLK-STQMWFEESA-N 280.364 3.852 0 40 CHAB CC(C)c1ccccc1OCCNC(=O)Cc1ccccc1 171916966 GKYPSWFGGYFDRU-UHFFFAOYSA-N 297.398 3.548 0 40 CHAB CCOC(OCC)c1nc(C(F)(F)F)c(C)s1 199745807 BYKQNYZDXQOHHN-UHFFFAOYSA-N 269.288 3.542 0 40 CHAB NCc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 199826450 PWIIEIMTTLITTL-UHFFFAOYSA-N 295.169 3.704 0 40 CHAB Cc1ccc(C[C@@H](OCc2ccccc2)C(=O)O)cc1C 225035757 NZDNPJRPZWNQEQ-QGZVFWFLSA-N 284.355 3.516 0 40 CHAB CCCCO[C@H](Cc1ccc(C(C)C)cc1)C(=O)O 225047298 SOPWQYHJKJJGKJ-OAHLLOKOSA-N 264.365 3.622 0 40 CHAB CCCO[C@](C)(CC)C(=O)Nc1cc(C)c(OC)c(C)c1 225732140 URKWDQIRGOCPHD-QGZVFWFLSA-N 293.407 3.846 0 40 CHAB CNc1cc(C)c2oc(-c3cccc(F)c3)nc2c1 226270472 FCMNQTNRDLSQKL-UHFFFAOYSA-N 256.280 3.984 0 40 CHAB CCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(C)c1 226352696 YTNRYICXSARIGX-UHFFFAOYSA-N 287.315 3.692 0 40 CHAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)C1CCC1 390830706 MSVRYPIBKYPEQP-ZDUSSCGKSA-N 269.454 3.699 0 40 CHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2)C1=O 409017608 VHVTXWUUARHSBM-QSARLWQPSA-N 261.346 3.521 0 40 CHAB CC(C)(C)C(=O)NC[C@H](c1ccco1)c1cccs1 585146704 DWZIEIAZUCDMRO-LLVKDONJSA-N 277.389 3.635 0 40 CHAB CCN(CC)c1cc(C(C)C)c2cccc(N)c2n1 685938101 JPSNJMJNMULLAH-UHFFFAOYSA-N 257.381 3.787 0 40 CHAB CC(=O)N1CCCc2ccccc2N(C)c2ccccc2C1 2037989132 WSERPRLNXKODQK-UHFFFAOYSA-N 294.398 3.749 0 40 CHAB O=C(O)c1ccccc1C(=O)c1cc(Cl)cc(Cl)c1 129351 CNMVQTOUNYRKDW-UHFFFAOYSA-N 295.121 3.923 0 40 CHAB Cc1cccc(NC(=O)c2c(C)nc3ccccn23)c1C 928567 NMQOLIAMMSVPGR-UHFFFAOYSA-N 279.343 3.512 0 40 CHAB CC(C)=C1CC[C@@]2(C)OC(=O)[C@H](Cc3ccccn3)[C@@]12C 1050164 LABKVGSCWMJBSU-CGTJXYLNSA-N 285.387 3.692 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)Nc2ccccc2F)n1 3413735 HBSUOIISMBOTJR-VIFPVBQESA-N 296.392 3.710 0 40 CHAB C[C@@H]1CC[C@@](C)(COC(=O)c2ccc(N)cc2)C1(C)C 3846128 WMLGAKFDNAXYLH-PXAZEXFGSA-N 275.392 3.888 0 40 CHAB biogenic Fc1ccc(-c2ccncc2Br)cc1 3880171 ZBGOOWVWIPZJOF-UHFFFAOYSA-N 252.086 3.650 0 40 CHAB c1ccc(CSc2ccc(-c3cccnc3)nn2)cc1 4357988 DPXLRPNMQZSJDP-UHFFFAOYSA-N 279.368 3.831 0 40 CHAB Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)cc2c1 4696060 PGUMNQLYBDPMFF-UHFFFAOYSA-N 282.318 3.545 0 40 CHAB CC(C)CCC[C@@H](C)NC(=O)c1ccccc1F 4851402 OBFQLIQDSDCAQR-GFCCVEGCSA-N 251.345 3.770 0 40 CHAB O=C(O)/C=C\c1ccccc1Oc1ccc(F)c(F)c1 5771253 FOCNEQJOYUQVSH-YVMONPNESA-N 276.238 3.855 0 40 CHAB C[C@H]1CCCCN1C(=O)c1cccc2ccccc12 6253361 GJXZWIBDWYWEHV-ZDUSSCGKSA-N 253.345 3.854 0 40 CHAB CC(=O)c1cc2c3c(cccc3c1O)C(=O)c1ccccc1-2 6292986 USRLSCDPALRBRC-UHFFFAOYSA-N 288.302 3.959 0 40 CHAB biogenic Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1ccccc1 8310037 KLELBBTUYFZUOA-ZDUSSCGKSA-N 288.416 3.516 0 40 CHAB CCCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9503218 HUMNMYWCVUTMOQ-HNNXBMFYSA-N 277.364 3.893 0 40 CHAB CC(C)Sc1nnc(NCc2ccc(F)cc2)s1 12684617 RBLGRPSSEBCXDN-UHFFFAOYSA-N 283.397 3.790 0 40 CHAB CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 13746369 XKESEHDQMVOIJM-OLZOCXBDSA-N 270.376 3.999 0 40 CHAB O=C(NC1C2CC3CC(C2)CC1C3)c1cc(F)ccc1F 14181653 PWAYABNOBMSDSN-UHFFFAOYSA-N 291.341 3.519 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1occc1C 15565625 FTEJLQXECOZVPK-UHFFFAOYSA-N 265.696 3.502 0 40 CHAB COc1ccc(CC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 18013858 GITDRWPXMLIDHL-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB Cc1ccc(C)c(CC(=O)N[C@H](C)c2ccc(F)cc2)c1 20111407 MKVCVTLPOLLYON-CQSZACIVSA-N 285.362 3.862 0 40 CHAB C[C@@H](c1ccccc1)n1c(S)nnc1-c1ccccc1 20590016 UIDGOCKLFASPOX-LBPRGKRZSA-N 281.384 3.843 0 40 CHAB in-vitro Cn1ncc2c1CCC[C@H]2NCc1ccc2ccccc2c1 30908717 YJGZLJSRMKPPTC-GOSISDBHSA-N 291.398 3.741 0 40 CHAB Clc1nc(Nc2ccccc2)nc(-c2ccccc2)n1 31623285 PFQKVIPWUJHPIH-UHFFFAOYSA-N 282.734 3.936 0 40 CHAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1cccnc1 32398366 YDCYSXZISLXKTQ-OAHLLOKOSA-N 286.400 3.804 0 40 CHAB CCN(CC)[C@@H](C)Cc1cccc(C(F)(F)F)c1 33868229 HXSLLQIYINIVQP-NSHDSACASA-N 259.315 3.978 0 40 CHAB c1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccccc2)cc1 38295764 SJBYIGXWWGSEES-WOJBJXKFSA-N 294.442 3.877 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 41450511 UUYGPVIRSBDZQH-UHFFFAOYSA-N 298.342 3.719 0 40 CHAB O=C(c1ccsc1)c1ccc(Br)c(F)c1 43210301 NDQWGTDWJPVWJD-UHFFFAOYSA-N 285.137 3.881 0 40 CHAB CCSCc1ccc(C(=O)Nc2cccc(C)n2)cc1 48782786 ANCZCBZLYMWRBM-UHFFFAOYSA-N 286.400 3.895 0 40 CHAB c1ccc(OCCCNc2ncnc3ccsc23)cc1 49933893 IIAFTNUVCMOWPA-UHFFFAOYSA-N 285.372 3.572 0 40 CHAB Cc1ccc(NC(=O)c2ccc3ncccc3c2)c(O)c1 59896373 ZRNHRRAVFSZGPP-UHFFFAOYSA-N 278.311 3.501 0 40 CHAB CCC[C@@H](NCc1cnc(NCC)nc1)c1ccccc1 62717560 OERWXDBLCLMWAV-MRXNPFEDSA-N 284.407 3.539 0 40 CHAB CCc1ncc(C(=O)N(C2CC2)[C@H](C)c2ccco2)s1 68427227 ZDFVKKOZSZVGPH-SNVBAGLBSA-N 290.388 3.664 0 40 CHAB Cc1cccc(CNCc2csc(C3CC3)n2)c1 69876365 FKRXHBLTIBYERV-UHFFFAOYSA-N 258.390 3.619 0 40 CHAB c1coc(CNc2c(-c3cccs3)nc3cnccn23)c1 72341878 BUQJNGYBFSYNCB-UHFFFAOYSA-N 296.355 3.663 0 40 CHAB Cc1noc(-c2cnc(NC3CC3)nc2-c2ccco2)c1C 72398389 WLEXVTGTVPKIHS-UHFFFAOYSA-N 296.330 3.583 0 40 CHAB COC(=O)CCCC(=O)c1ccc(Cl)cc1Cl 74417083 DJMDVXXTMLJFBB-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB CC(C)CCCNC(=O)N1CCc2sccc2[C@H]1C 84718210 SGWOPTIZFIJKJE-GFCCVEGCSA-N 280.437 3.813 0 40 CHAB CCOc1cc(-c2nc(-c3cccc(C)c3)n[nH]2)ccc1O 85384714 GUJVZQNSPZEHIC-UHFFFAOYSA-N 295.342 3.551 0 40 CHAB COc1cc([N+](=O)[O-])c(Br)cc1C(C)(C)C 88259935 ZOTIDWQSNCWGRN-UHFFFAOYSA-N 288.141 3.663 0 40 CHAB CCc1ocnc1C(=O)N1CCC[C@H]1/C=C/c1ccccc1 95468460 NEGSKHZIHVKLPD-NKSUMMKUSA-N 296.370 3.555 0 40 CHAB CSc1cccc(C(=O)C(F)(F)C(F)(F)F)c1 95917252 XRMAGSXLEKTQMR-UHFFFAOYSA-N 270.222 3.789 0 40 CHAB Cc1cccc(Cl)c1NC(=O)N[C@H]1CCOC(C)(C)C1 97161880 SKFZDCDSEOKYQB-NSHDSACASA-N 296.798 3.728 0 40 CHAB Cc1cc(NC(=O)NC2(Cc3ccccc3)CCCC2)no1 182708079 UTTMDOXPFGZMJQ-UHFFFAOYSA-N 299.374 3.660 0 40 CHAB Clc1ccc2nc(SC3CCOCC3)oc2c1 195566558 KADZQDWRRUAKKO-UHFFFAOYSA-N 269.753 3.752 0 40 CHAB CC(C)[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 225211349 QBKMXRQYAHPFPI-ZIAGYGMSSA-N 285.387 3.768 0 40 CHAB O=C(c1cc2ccccc2s1)N1CCC(CF)CC1 295927529 JMTWXKDSAHBBGA-UHFFFAOYSA-N 277.364 3.723 0 40 CHAB O=C(CCc1ccccc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618256984 NRMWVVDVGHLCPD-ROUUACIJSA-N 281.399 3.863 0 40 CHAB O=c1oc2cc3oc4c(c3cc2c2c1CCC2)CCCC4 389348 OHUPARMNRZPYJJ-UHFFFAOYSA-N 280.323 3.907 0 40 CHAB biogenic O=C(/C=C/c1ccccc1)Nc1ccccc1OC(F)F 557714 HBFRBCFZZKUXFY-ZHACJKMWSA-N 289.281 3.940 0 40 CHAB CCOc1ccc(NC(=O)c2ccc(C)cc2C)cc1 557900 XDTQIVBLJPHVNJ-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB O=C(CN1CCCCCC1)Nc1cccc2ccccc12 804505 CFGXLXFKDKDCSP-UHFFFAOYSA-N 282.387 3.654 0 40 CHAB CCOC(=O)c1ccc2c3c([nH]c2c1C)CCCC3 1724320 YOLTVEPVOMSAJS-UHFFFAOYSA-N 257.333 3.532 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(CO)nn1-c1ccccc1 3166450 JLWZFHQAVNHAJN-SCLBCKFNSA-N 282.387 3.540 0 40 CHAB N=C1c2ccccc2CN1c1ccc2c3c(cccc13)C(=O)N2 3203848 QDNCCNGRSFDQHG-UHFFFAOYSA-N 299.333 3.751 0 40 CHAB Clc1ccccc1COc1ccccc1-c1nnco1 3293179 BGIVYYLDGWOLLX-UHFFFAOYSA-N 286.718 3.969 0 40 CHAB O=C(CCc1ccccc1)Nc1ccccc1OC(F)F 3331240 UZLPRYMYAYVSKY-UHFFFAOYSA-N 291.297 3.859 0 40 CHAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1 3398768 ZRBDVVBRTUTFAT-UHFFFAOYSA-N 297.354 3.606 0 40 CHAB O=C(O)Cc1csc(-c2cccc3ccccc23)n1 5592329 LVBIDCYDHPYFJZ-UHFFFAOYSA-N 269.325 3.590 0 40 CHAB O=C(OCc1cccc(F)c1)c1ccc2ccccc2n1 5845551 YVHFXKFTHYIDIH-UHFFFAOYSA-N 281.286 3.731 0 40 CHAB Cc1ccc(/C=C/C(=O)NCCSc2ccccc2)cc1 6204148 HQCIMVXAIBMMIS-VAWYXSNFSA-N 297.423 3.917 0 40 CHAB COc1cc(NC(=O)c2ccc(Cl)s2)cc(OC)c1 6385835 ZPNQBFIZWLEHRV-UHFFFAOYSA-N 297.763 3.671 0 40 CHAB CCOc1ccccc1C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 6488647 FNZYFOACEQKRGE-IPYPFGDCSA-N 275.392 3.640 0 40 CHAB Cc1ccc(SCc2nc3ccccc3c(=O)[nH]2)c(C)c1 7487135 OAGXRFGQCHINQB-UHFFFAOYSA-N 296.395 3.832 0 40 CHAB O=C(Nc1cccc(Cl)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 7652460 VBSKMPFLNWJANA-FOSCPWQOSA-N 291.778 3.674 0 40 CHAB Cc1ccc2oc(C(=O)Nc3ccc(F)cc3F)cc2n1 8798681 LRTICOZJKDBIKK-UHFFFAOYSA-N 288.253 3.667 0 40 CHAB COc1cc(C(=O)Nc2ccccc2)ccc1OCC(C)C 9335642 WZGVYXFFSCNANB-UHFFFAOYSA-N 299.370 3.982 0 40 CHAB CC(C)(C)c1csc(NC(=O)c2c(F)cccc2F)n1 9495062 HLNSLVXLAZKBQH-UHFFFAOYSA-N 296.342 3.971 0 40 CHAB Nc1nc(SCc2ccccc2)nc2sccc12 9835846 PKTZBUUYQAPFOE-UHFFFAOYSA-N 273.386 3.566 0 40 CHAB Cc1nc(NC(=O)/C=C/c2ccccc2)ccc1Cl 10119510 LMVYJKWCQXAGOC-JXMROGBWSA-N 272.735 3.695 0 40 CHAB CCC(=O)N1c2ccc(OC)cc2C(C)=CC1(C)C 10157721 CCKZOWAIOQTEBT-UHFFFAOYSA-N 259.349 3.634 0 40 CHAB CC1(C)C[C@H](NC(=O)c2ccc(F)cc2)c2ccccc2O1 10542958 AZWZFCWRGUYOLK-HNNXBMFYSA-N 299.345 3.858 0 40 CHAB Cc1cccc(NC2=NN=C(c3ccco3)CS2)c1C 12543323 YSCJZWQCGOVVAE-UHFFFAOYSA-N 285.372 3.815 0 40 CHAB COC(=O)c1ccc(CSc2ncccc2Cl)cc1 12971764 NSFANAYSISHXOQ-UHFFFAOYSA-N 293.775 3.814 0 40 CHAB CCCN(Cc1ccccn1)C1CC(C)(C)NC(C)(C)C1 13992614 BWEUCAXTFZFMEE-UHFFFAOYSA-N 289.467 3.603 0 40 CHAB CNc1nnc(SCc2ccc(F)cc2Cl)s1 14123544 IVJUQMJZLQBDTN-UHFFFAOYSA-N 289.788 3.665 0 40 CHAB CCOc1ccc(C(=O)Nc2cc(C)ccc2F)cc1 14200634 JQXBDZLVVOHCMF-UHFFFAOYSA-N 273.307 3.785 0 40 CHAB C[C@@H]1CCCC[C@H]1N1CCN(C[C@H]2CC=CCC2)CC1 19900114 ADQAWJJCVOTDOE-FGTMMUONSA-N 276.468 3.539 0 40 CHAB O=C(Nc1ccccc1N1CCc2ccccc2C1)C1CC1 25798305 RGVRJPIXBYWVSD-UHFFFAOYSA-N 292.382 3.598 0 40 CHAB CCCCCn1c(S)nnc1COc1ccccc1C 28295960 UEKFDTBWYRITEL-UHFFFAOYSA-N 291.420 3.644 0 40 CHAB COc1ccc(OC)c(C(=O)c2ccccc2Cl)c1 32270120 BUQCLGHMLAJMBX-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB CN(Cc1ccsc1)C(=O)c1cc2cc(F)ccc2[nH]1 32759759 ZSQLUQFPGWVKLT-UHFFFAOYSA-N 288.347 3.641 0 40 CHAB C[C@H](NC(=O)N[C@H]1CCc2ccccc21)c1cccs1 32801876 PIXORSYGRILXOX-FZMZJTMJSA-N 286.400 3.796 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CC[C@@H]1CCCO1 32815714 SNYQWXOZHHNIPE-NSHDSACASA-N 267.756 3.546 0 40 CHAB Cc1ccc(CNC(=O)NC2CCCCCC2)cc1 32862454 GRTNQZCKGRSMAK-UHFFFAOYSA-N 260.381 3.517 0 40 CHAB Cc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1 36139651 CGVBGDSTZSVEDV-UHFFFAOYSA-N 280.371 3.848 0 40 CHAB CCc1n[nH]c(SCc2cccc3ccccc23)n1 36713026 NEUGRHZYNUGBEO-UHFFFAOYSA-N 269.373 3.813 0 40 CHAB CC1CCC(NC(=O)Cc2ccc(-n3cccc3)cc2)CC1 40074812 JLWDOIUOQHZEQX-UHFFFAOYSA-N 296.414 3.715 0 40 CHAB CC(C)C(=O)NCC1(c2ccccc2)CCCCC1 40082619 YIJQUPPGCXLTRA-UHFFFAOYSA-N 259.393 3.661 0 40 CHAB COc1ccc([C@H]2CCCN2c2cccc(F)n2)cc1 40158429 DDAPRNIFLPHKBF-CQSZACIVSA-N 272.323 3.571 0 40 CHAB C[C@@H](SCc1ccco1)c1nc2ccccc2c(=O)[nH]1 40456892 WZAXIQMKODCCDD-SNVBAGLBSA-N 286.356 3.511 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)N[C@H](C)c1ccncc1 40525604 AKLTXFUWNFVOCM-LLVKDONJSA-N 289.766 3.926 0 40 CHAB CC(C)CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 42672175 DFWHAMVORZZPSA-SNVBAGLBSA-N 273.298 3.929 0 40 CHAB COc1cccc(C(=O)c2ccc(SC)cc2)c1 43209731 CMTWQXKLZGVQAR-UHFFFAOYSA-N 258.342 3.648 0 40 CHAB O=C(O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1 47205267 FGNOELNLDTWUIO-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB CCOc1ccc([C@@H]2CCCN2C(=O)C2CCC2)cc1 52975375 ITIUYSUBQWSXKV-INIZCTEOSA-N 273.376 3.549 0 40 CHAB O=C(CCc1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 65363466 DUQJWIPSEZYZQQ-NJZAAPMLSA-N 277.795 3.577 0 40 CHAB Cc1ccc([C@@H](O)c2ccc(Cl)cc2Cl)cn1 68855954 GMMDCAMQRDFBRT-CYBMUJFWSA-N 268.143 3.779 0 40 CHAB C[C@@H](S[C@H](C(N)=O)c1ccccc1)c1cccs1 77961491 FMMKFWGLDKDKTN-MFKMUULPSA-N 277.414 3.769 0 40 CHAB Cc1cc(Br)ccc1C(=O)C(F)(F)F 82169941 DANIINALEOHAHB-UHFFFAOYSA-N 267.044 3.503 0 40 CHAB in-vitro Cc1cc(CN2CCC(c3ccc(F)cc3)CC2)on1 83423386 SBGPKISKBOUJAC-UHFFFAOYSA-N 274.339 3.502 0 40 CHAB C[C@@H](Sc1ccncc1)C(=O)N1c2ccccc2C[C@H]1C 84718108 GPSJSEBELIHNBL-CHWSQXEVSA-N 298.411 3.540 0 40 CHAB CCO[C@@H](C)c1nccn1Cc1ncc(-c2ccccc2)o1 89521545 HHSFCLXJOVKYCN-ZDUSSCGKSA-N 297.358 3.684 0 40 CHAB CC(=O)Nc1ccc(CCNCc2c(C)cccc2C)cc1 89688779 POYYHKCWMRUSMO-UHFFFAOYSA-N 296.414 3.594 0 40 CHAB CCCc1cc(C(=O)N[C@H](CC)[C@@H]2CCCO2)sc1C 89960443 DNOAOLNRBMLMCM-KGLIPLIRSA-N 295.448 3.696 0 40 CHAB O=Cc1ccc(OCc2cccc(Cl)c2F)cc1 95738606 ONSPJXJEXZNCBS-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB O=C(c1cc(F)cc(Cl)c1)c1ccc(F)cc1F 95916203 DVTBMTQBJVSRKZ-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2O 118935556 MGZZPWXYQSLHGQ-MFXFBURESA-N 292.463 3.751 0 40 CHAB CO[C@H](CNC(=O)c1ccsc1)c1ccccc1Cl 121916155 CYMWEKMOJYHFFH-CYBMUJFWSA-N 295.791 3.519 0 40 CHAB CCCC(CCC)C(=O)c1ccc2c(c1)OCCO2 211818535 RROSUTXFUPZPBF-UHFFFAOYSA-N 262.349 3.857 0 40 CHAB Cc1cccc(O[C@@H](Cc2cccc(Cl)c2)C(=O)O)c1 225058106 AZSGXPNJWSONTR-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB CCn1c(C)csc1=Nc1ccc(Cl)cc1 254313590 VXZWMMKRZSTTNP-UHFFFAOYSA-N 252.770 3.764 0 40 CHAB C[C@]1(Cc2ccccc2)Cc2cc(CCC(=O)O)ccc2O1 257279067 OEWPGIRFTRVXNY-IBGZPJMESA-N 296.366 3.640 0 40 CHAB COC(=O)[C@@H](C(C)C)N1c2ccccc2[C@H](C)CC1(C)C 260613231 FAXJDZLMXHRLCK-CZUORRHYSA-N 289.419 3.976 0 40 CHAB O=C(COCc1ccccc1)c1cc(F)ccc1Cl 309976205 RGMIBZNIZJAUJC-UHFFFAOYSA-N 278.710 3.879 0 40 CHAB CCSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 408527113 LBKYQOGMPMXUOK-UHFFFAOYSA-N 274.176 3.891 0 40 CHAB CCCCCN1C(=O)S/C(=C\c2ccccc2)C1=O 409213176 OXXKCBNBTHJFRD-QBFSEMIESA-N 275.373 3.913 0 40 CHAB CC(C)(C)C[C@@H]1CCCN1Cc1ccc2c[nH]nc2c1 512388873 ASCBLWHMPJSNFU-HNNXBMFYSA-N 271.408 3.964 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CC[C@@H](F)C2)CC1 710673393 HGHKFXGRVZKKDV-LLVKDONJSA-N 257.349 3.526 0 40 CHAB COc1cc(CN2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc(OC)c1 1776009244 YINILVFBBMUHDN-IRXDYDNUSA-N 299.414 3.921 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccccc1OC(C)=O 60689 QIMNUNMGTLIMME-UHFFFAOYSA-N 297.354 3.735 0 40 CHAB CN(C)CC[C@@H](c1ccccc1)c1cc(Cl)ccn1 1598684 DMMWCJKQHYDWJU-HNNXBMFYSA-N 274.795 3.819 0 40 CHAB O[C@H](CN1CCC(Cc2ccccc2)CC1)c1ccccc1 3312239 SWJSKHQZLJYDSG-HXUWFJFHSA-N 295.426 3.675 0 40 CHAB Cc1cc(NCc2ccccc2)c2cccc(C(=O)O)c2n1 4226583 IJIUVBASYLOKLV-UHFFFAOYSA-N 292.338 3.854 0 40 CHAB Cc1c(Cl)cccc1NC(=O)COc1ccccc1F 5578158 VTNZSMWCSKHKEL-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB C1CCC(c2nnc3n2N=C2CCCC[C@@H]2S3)CC1 6087156 ZMJNNFKVQIETOK-LBPRGKRZSA-N 276.409 3.578 0 40 CHAB CCCNC(=O)/C(=C\c1ccccc1)c1ccccc1 6310990 QZOGZNHYCSAATN-VKAVYKQESA-N 265.356 3.753 0 40 CHAB CCc1ccc([C@H](CN)c2c[nH]c3ccccc23)cc1 6645701 DFIRNEWUMYFSCL-INIZCTEOSA-N 264.372 3.821 0 40 CHAB Cc1ccc(NC(=S)N2CCn3cccc3[C@@H]2C)cc1C 7581990 RUKMUKVQZVNZSK-AWEZNQCLSA-N 299.443 3.879 0 40 CHAB CN(C)c1nc(-c2ccc3c(c2)CCCC3)cs1 7845082 OBVHKBUIUUMYSF-UHFFFAOYSA-N 258.390 3.755 0 40 CHAB COc1ccc2ccccc2c1CNC1CCCC1 8210220 CCCYAJFXIRKIRB-UHFFFAOYSA-N 255.361 3.881 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280189 CTWZBYRMLLZJGQ-GXFFZTMASA-N 297.383 3.657 0 40 CHAB CSc1ccccc1NCC(=O)Nc1ccccc1F 9218521 KOQZBBHRGDLMIF-UHFFFAOYSA-N 290.363 3.598 0 40 CHAB O=C(Nc1cccc2ncccc12)c1ccc2c(c1)CCC2 10277649 OWXWBOCDXPWBGI-UHFFFAOYSA-N 288.350 3.976 0 40 CHAB CN(C)c1cccc(C(=O)Nc2cccc3ncccc23)c1 12537385 QZWFEUVFCJIRKX-UHFFFAOYSA-N 291.354 3.553 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1 12735532 UTGVWYYJUUTKPN-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB O=C(NC1CCCCC1)c1ccc(COc2ccccc2)o1 12906052 FWHPYXNTKBEOBQ-UHFFFAOYSA-N 299.370 3.921 0 40 CHAB CSc1ccc(C)c(C(=O)Nc2ccccc2O)c1 12907592 BMIAQVBVCZDMNI-UHFFFAOYSA-N 273.357 3.675 0 40 CHAB Cc1ccccc1CC(=O)N1CCSc2ccccc21 12973985 DLJRZIAQFXEPIO-UHFFFAOYSA-N 283.396 3.676 0 40 CHAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2CO)cc1 14119631 HJSOBSTXRQPBIE-UHFFFAOYSA-N 298.773 3.993 0 40 CHAB COc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cc1 15539368 YIVAKVALBDJQEK-QGZVFWFLSA-N 281.355 3.673 0 40 CHAB O=C(Nc1ccc(S)cc1)c1ccccc1Cl 16449344 AFXDVNTWIJXFAW-UHFFFAOYSA-N 263.749 3.881 0 40 CHAB O=C(Nc1cccc2ccccc12)n1nnc2ccccc21 16545027 RWANZQISUIHRLG-UHFFFAOYSA-N 288.310 3.665 0 40 CHAB Cn1cc([C@@H]2CCCCCN2Cc2ccc(F)cc2)cn1 19290610 BGTJHTQBINLWMA-KRWDZBQOSA-N 287.382 3.677 0 40 CHAB c1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@H]2NCc2ccccn2)cc1 19373730 UTMCZKMWHNMOGX-INDMIFKZSA-N 278.399 3.754 0 40 CHAB Cc1ccc(NC(=O)c2ccnc(Cl)c2)c(Cl)c1 20361708 WCYSDYWLSXIWHN-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB CC(=O)c1ccc(NC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 20569804 SWCYIFXDLIUSEE-TXEJJXNPSA-N 274.364 3.684 0 40 CHAB Oc1ccc2c(c1)[C@@H]1CCCC[C@]1(N1CCCCC1)O2 22242121 KXGAXCOBOFZDMX-RDJZCZTQSA-N 273.376 3.624 0 40 CHAB CCC[C@H](C)NC(=O)N[C@H](C)c1ccccc1Cl 32795116 QRWGDBMOANRAKC-WDEREUQCSA-N 268.788 3.889 0 40 CHAB CCc1cc(OCC[C@H]2CCCNC2)ccc1Cl 42771485 GYQJBVZPUDKULY-GFCCVEGCSA-N 267.800 3.671 0 40 CHAB Cc1cc(CNCc2ccc(-c3ccccc3)cc2)on1 44985389 CPRXOPPECPROCQ-UHFFFAOYSA-N 278.355 3.940 0 40 CHAB Cc1ccc2nc(NC(=O)CC[C@H]3CCCO3)sc2c1 48234688 AJJHUFDIUMRBDI-LLVKDONJSA-N 290.388 3.502 0 40 CHAB Cc1ccccc1-n1ccnc1S[C@@H]1CCCCC1=O 48309627 HFTUAMGKHLHHDA-OAHLLOKOSA-N 286.400 3.785 0 40 CHAB COc1ccc2cc([C@H](O)c3ccoc3)ccc2c1 49956077 WNGGAGLMUMWXFP-INIZCTEOSA-N 254.285 3.523 0 40 CHAB COc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2)cc1 50275423 VBUSDPCZOXHJQG-CYBMUJFWSA-N 284.359 3.920 0 40 CHAB CCOc1ccc2nc(NCc3ccco3)sc2c1 61968147 LHOCEAFHKYKZNO-UHFFFAOYSA-N 274.345 3.900 0 40 CHAB CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1 65041156 UVGNUYICQBZGOC-UONOGXRCSA-N 263.356 3.624 0 40 CHAB OC1(CSc2nnc(-c3cccs3)o2)CCCCC1 65169569 UFNLINGOWLJQMO-UHFFFAOYSA-N 296.417 3.585 0 40 CHAB Cn1ccc(CS[C@@H]2CCCc3ccccc32)cc1=O 69511454 SBURLLGMSSSBMR-MRXNPFEDSA-N 285.412 3.696 0 40 CHAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(C)c3C)n2c1 71459172 STGHMIBKESYIFT-UHFFFAOYSA-N 293.370 3.820 0 40 CHAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1 72211017 RKBJETWHRSIEJI-KRWDZBQOSA-N 296.370 3.945 0 40 CHAB CCOc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 84807919 GSUGELDQBVFYOJ-GFCCVEGCSA-N 273.332 3.512 0 40 CHAB COc1c(Br)cc2ccccc2c1C 85398961 LBVVZWGAHFUIRR-UHFFFAOYSA-N 251.123 3.919 0 40 CHAB O=C(O)c1cc(OCc2ccccc2Cl)cs1 91342595 JHEIQWNGMNCUPP-UHFFFAOYSA-N 268.721 3.679 0 40 CHAB COC(=O)C[C@H](C)CC(=O)c1ccc(Cl)c(Cl)c1 95728768 RMHJYZPXPRMJKC-MRVPVSSYSA-N 289.158 3.765 0 40 CHAB CCc1cc2c(OCc3ccccc3)ncnc2s1 95944189 SFRJCGOPKYXWIG-UHFFFAOYSA-N 270.357 3.833 0 40 CHAB Cc1cnc(CCN[C@H](C)CSC(C)(C)C)s1 95968536 DUSPYZFAUPMZNQ-SNVBAGLBSA-N 272.483 3.504 0 40 CHAB C[C@]12C[C@H]3C[C@@](CO)(C1)C[C@@](c1ccccc1)(C3)C2 100318107 VXVYHNLYSSEXRR-DZJNRPSUSA-N 256.389 3.907 0 40 CHAB CCCCC(=O)c1ccc(Br)c(F)c1 167952350 LHAPGLVRDJLCFV-UHFFFAOYSA-N 259.118 3.961 0 40 CHAB C[Si](C)(C)c1c(Cl)cc(Cl)nc1Cl 196298839 BDRQSCSXFJDLLH-UHFFFAOYSA-N 254.620 3.587 0 40 CHAB CC1(C)CC[C@@H](N)c2cc(Br)ccc21 215074023 DALZLKLFWGJOQV-LLVKDONJSA-N 254.171 3.520 0 40 CHAB CCCCCNC(=S)Nc1ccc(OC(C)C)cc1 225378862 QDRMONNYHKCVIT-UHFFFAOYSA-N 280.437 3.950 0 40 CHAB Cc1ccc(NC(=O)N2CCC(=C3CC3)CC2)cc1 238945997 WLEIXEBEGCRSAM-UHFFFAOYSA-N 256.349 3.713 0 40 CHAB COc1cc(F)cc(C(=O)CCc2ccccc2)c1 382687229 GKYXCXNZYHDVHT-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2F)C1=O 409012251 PPWVSQATBFOCGN-YXYQAXARSA-N 279.336 3.661 0 40 CHAB O=C(/C=C/c1ccco1)NCc1ccc(-c2ccsc2)o1 575610084 KAGJRCBSLGFLLS-GQCTYLIASA-N 299.351 3.931 0 40 CHAB O=C(/C=C/c1ccccc1)NCc1ccc(-c2ccoc2)o1 575610838 QJTGLSSUYVBKDB-RMKNXTFCSA-N 293.322 3.869 0 40 CHAB CO[C@@H](CNc1ncc(Cl)cn1)c1ccccc1Cl 675638314 BOTVADVNEVQPJY-LBPRGKRZSA-N 298.173 3.583 0 40 CHAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(F)(F)CC1 684520716 STTVSDWOKKLHRF-UHFFFAOYSA-N 293.235 3.577 0 40 CHAB C[C@H](Nc1ncnc(C2CC2)c1F)c1ccccc1 1888857075 HAIVOBGRYRYMTG-JTQLQIEISA-N 257.312 3.666 0 40 CHAB Cc1cccc(Nc2nc(N)c3ccccc3n2)c1C 572951 YZICCFSQXUDRIB-UHFFFAOYSA-N 264.332 3.572 0 40 CHAB O=C1C[C@@H](c2ccc(F)cc2F)c2sccc2N1 12428521 VBNMRLWUWZAZBO-VIFPVBQESA-N 265.284 3.500 0 40 CHAB CC[C@@H](C)n1c(C)nc2cc(C(F)(F)F)cc(N)c21 1563262 CQMWXYLMHOFJNM-SSDOTTSWSA-N 271.286 3.917 0 40 CHAB Cc1ccccc1S(=O)(=O)Oc1cccc2ccccc12 2061774 JGWZATHXBOWYDA-UHFFFAOYSA-N 298.363 3.916 0 40 CHAB CC(=O)n1nc(C(F)(F)F)c(Cl)c1-c1ccccc1 2526337 STPFLWRZLABZIW-UHFFFAOYSA-N 288.656 3.882 0 40 CHAB Cc1nc2ccc(C(=O)Nc3ccccc3F)cc2nc1C 23330941 HQEWVTRTGFKQGM-UHFFFAOYSA-N 295.317 3.638 0 40 CHAB CCc1ccc(NC(=O)c2noc3c2CCCCC3)cc1 3909308 CTDSBEMGTBNHDJ-UHFFFAOYSA-N 284.359 3.758 0 40 CHAB aggregator O[C@]12CCCC[C@H]1[C@@]1(O)CCCC[C@H]1C1(CCCCC1)O2 4005907 GATCEJCAKDSFNO-ONIAQPFYSA-N 294.435 3.520 0 40 CHAB Cc1ccc2cc(CN[C@@H]3CCCC[C@H]3C)c(=O)[nH]c2c1 4130449 FRGXALQPKZYEGR-CZUORRHYSA-N 284.403 3.505 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1ccccc1 6048860 WLJUZKAODXFVRR-SFHVURJKSA-N 297.398 3.593 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 6284289 ADTFRJIMPWARQA-LBPRGKRZSA-N 295.810 3.946 0 40 CHAB CC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)cc2C)c1C 6818810 GHKGJLAMKOJOMX-UHFFFAOYSA-N 284.359 3.703 0 40 CHAB C[C@H](c1cccs1)N(C)Cc1cn2ccccc2n1 57977071 ATZUJRVRKQEEAZ-GFCCVEGCSA-N 271.389 3.589 0 40 CHAB COc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101013810 WWVGSAHKMLYXBR-VLXAULBPSA-N 288.391 3.641 0 40 CHAB COc1cccc(-c2cc(-c3ccccc3)n[nH]2)c1 29063184 OWZOIEXBSDHJJW-UHFFFAOYSA-N 250.301 3.752 0 40 CHAB CCCCc1ccc(C(=O)CCCC(=O)OCC)cc1 2580369 DDRKUZWCAZJINS-UHFFFAOYSA-N 276.376 3.945 0 40 CHAB CC[C@H](C)c1ccc(NC(=S)NC(=O)C(C)C)cc1 21596303 WKSHCSTZSWIJSW-NSHDSACASA-N 278.421 3.669 0 40 CHAB Cc1cc(NC(=O)CS[C@H](C)c2ccccc2F)no1 48681412 OCAPVGJGJASCHP-SNVBAGLBSA-N 294.351 3.555 0 40 CHAB Cc1cc2cc(CNC(=O)Nc3ccccc3)ccc2n1C 4057590 PYWSAZSJJTYYLH-UHFFFAOYSA-N 293.370 3.808 0 40 CHAB aggregator CCCC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 14069659 ALTWQVNNUIKLMT-UHFFFAOYSA-N 288.372 3.751 0 40 CHAB CC[C@H](C)[C@H](N)c1nnc(SCc2ccc(F)cc2)o1 6440758 BSBSHLNOMCAHCK-CABZTGNLSA-N 295.383 3.547 0 40 CHAB Cc1cc(C(=O)Nc2ccc(F)cc2C)c2c(C)noc2n1 14264838 MXCSZYKFIBQBBW-UHFFFAOYSA-N 299.305 3.539 0 40 CHAB CC(=O)c1cccnc1-c1nc2ccccc2s1 27754687 DSIRULTZERPDNX-UHFFFAOYSA-N 254.314 3.561 0 40 CHAB CC1(C)CC(=O)c2cnn(-c3ccc(Cl)cc3)c2C1 9486011 WLHLAJLLHXWSFT-UHFFFAOYSA-N 274.751 3.681 0 40 CHAB CCc1c(-c2nnc(S)n2C2CC2)csc1C 16990975 BJFHCHDYKRWUPL-UHFFFAOYSA-N 265.407 3.501 0 40 CHAB CC(C)(C)c1ccc(/C=C2\C(=O)N=C3SC=CN32)cc1 39379206 VNWURAMXWXCLLE-JLHYYAGUSA-N 284.384 3.741 0 40 CHAB O=C(O)/C(=C/c1ccco1)Sc1nc2ccccc2o1 211503856 TYKZNDVSXDUMMR-WQLSENKSSA-N 287.296 3.639 0 40 CHAB Clc1onc2c1CC[C@@H]1[C@H](CC2)C1(Cl)Cl 219776134 NXZTZPRAJRVZEP-RQJHMYQMSA-N 266.555 3.627 0 40 CHAB CCCCc1ccc(C(=O)c2ccc(C)nc2)cc1 45029083 PSOPVBLYBMZXED-UHFFFAOYSA-N 253.345 3.964 0 40 CHAB COc1ccc(-c2cnc(-c3cccc(N)c3)o2)cc1OC 226102968 GRLIWRJPCVZCCD-UHFFFAOYSA-N 296.326 3.608 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1ccsc1 40534444 HKROUGIRTYZOIK-OCCSQVGLSA-N 261.390 3.768 0 40 CHAB C[C@H](NC[C@@H]1CCCO1)c1cccc(OC2CCCC2)c1 225167517 LRNVTYKREVBMEX-KSSFIOAISA-N 289.419 3.838 0 40 CHAB Cc1ccc(CCCNC(=S)Nc2ccc(C)cn2)cc1 225389905 XTVADYZTWQRLER-UHFFFAOYSA-N 299.443 3.618 0 40 CHAB CSCc1cc(NCc2ccc(CO)o2)ccc1Cl 95447456 JCLVLJGMLLKSAI-UHFFFAOYSA-N 297.807 3.900 0 40 CHAB COc1cc2ccccc2cc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 250389265 RDBQQPIVPPMUHC-NUTKFTJISA-N 295.382 3.767 0 40 CHAB CC[C@H](C)n1ccc(NCc2cc(F)ccc2F)n1 256052362 NALCYBQWFRBSSU-JTQLQIEISA-N 265.307 3.744 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CCC(=O)CC2)C(C)(C)C1 1083104315 AIHLYJWMDBREGC-UHFFFAOYSA-N 295.423 3.783 0 40 CHAB Cc1ccccc1CN1CCC[C@H](COc2ccncc2)C1 1776000980 SKYMUIBHEBCHTD-KRWDZBQOSA-N 296.414 3.681 0 40 CHAB Cc1ccc(C)c([C@@H](C)N[C@H](C)Cc2ccncc2)c1 97017218 YYCYGAYKZMTBML-HZPDHXFCSA-N 268.404 3.980 0 40 CHAB CCN(C(=O)/C=C/c1ccc(C)o1)c1ccccc1 106483 BWOOEXLFJAADKO-VAWYXSNFSA-N 255.317 3.654 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C(C)C 20493111 FIYDSMXTKLVZQX-KGLIPLIRSA-N 277.408 3.882 0 40 CHAB Cc1ccc([C@@]2(c3ccccc3)O[C@H]3OC=C[C@@H]32)cc1 5554052 IKZQQMRJOBQRKS-RCCFBDPRSA-N 264.324 3.755 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)N1CCc2ccccc21 5685384 ITMFTGAFLIGEHS-JXMROGBWSA-N 283.758 3.943 0 40 CHAB Cc1cccc2nc(C(=O)OC/C=C/c3ccccc3)cn12 5983121 AUUMRISMEHMUPN-UXBLZVDNSA-N 292.338 3.513 0 40 CHAB CCCCCNC(=S)Nc1cc(C)cc(C)c1 13818913 MRZGFCNZDKOYCI-UHFFFAOYSA-N 250.411 3.780 0 40 CHAB Nc1ccc(NC(=O)c2cc3ccccc3o2)c(Cl)c1 19505609 UREABFNYARDZIJ-UHFFFAOYSA-N 286.718 3.921 0 40 CHAB O=C(O)CCCc1ccc2c(c1)-c1ccccc1C2 19979782 ZMADNJOXXYWVRY-UHFFFAOYSA-N 252.313 3.665 0 40 CHAB CCOC(CSc1nc2ccccc2s1)OCC 159891 QQQBROKHBIJLTG-UHFFFAOYSA-N 283.418 3.788 0 40 CHAB COC(=O)c1sccc1NC(=O)CCC1CCCCC1 483567 OGXDZYWFTHCCAN-UHFFFAOYSA-N 295.404 3.834 0 40 CHAB Fc1cccc(CSc2nnc(-c3ccncc3)o2)c1 4941559 XEUMIWURCLCOPI-UHFFFAOYSA-N 287.319 3.563 0 40 CHAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCc2ccccc2)o1 40012159 DVMOMKCRNOGCBR-WMLDXEAASA-N 297.398 3.695 0 40 CHAB COC(=O)c1ccc(CSc2nc(C)cs2)cc1 20297295 MUDKAZBGFBWRIL-UHFFFAOYSA-N 279.386 3.530 0 40 CHAB Cc1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 227543 DALLKUNDLVCQBI-UHFFFAOYSA-N 296.395 3.634 0 40 CHAB COc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 587127 PJUMBQRDRGUWBU-ZHACJKMWSA-N 267.328 3.656 0 40 CHAB CC(C)n1cc2c(C(F)(F)F)cc(Cl)nc2n1 12398298 HBPVQGUPPOYURO-UHFFFAOYSA-N 263.650 3.684 0 40 CHAB CO[C@@H](C(=O)Nc1cnc2ccccc2c1)c1ccccc1 78805972 UEAULFHQTUEKQK-QGZVFWFLSA-N 292.338 3.561 0 40 CHAB Cc1ncsc1CCOC(=O)c1ccc(Cl)cc1 3182214 DCQPAZGNLYZZGH-UHFFFAOYSA-N 281.764 3.504 0 40 CHAB COc1ccc2c(c1)CS[C@H](c1ccccc1)[C@H]2O 1562475 KKWNEWBJLXSFCB-JKSUJKDBSA-N 272.369 3.717 0 40 CHAB CCCOC(=O)C[C@H](c1ccccc1)N1CCCCC1 1569381 GRDVFGSDHKMFIS-MRXNPFEDSA-N 275.392 3.557 0 40 CHAB CCCCCCOC(=O)N1CCN(c2ccccc2)CC1 2022382 UCWJPLCUNJZTHH-UHFFFAOYSA-N 290.407 3.526 0 40 CHAB C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 4119587 GGCLDJYYOISOSI-USJZOSNVSA-N 281.399 3.705 0 40 CHAB O=C(Nc1ccc(Cl)c2cccnc12)c1ccco1 42707933 RBVYGSZFJWXNCD-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB CC(C)CNC(=O)/C(=C/c1ccccc1)c1ccccc1 6693255 RBQSLOHNEGCBSH-QGOAFFKASA-N 279.383 3.999 0 40 CHAB COc1ccc(NC(=O)c2cccc(C)c2C)c(OC)c1 3288887 XXKGMZLROGGGSO-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB C[C@]12CC[C@@H](C1)[C@](O)(c1ccccc1)[C@]2(O)c1ccccc1 104117124 MFXCNFWQMUZNLU-HAGHYFMRSA-N 294.394 3.582 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 2637312 SJKRPINLRCGLRC-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CC[C@@H](CNC(=O)c1ccc[nH]c1=S)c1ccccc1 12913250 XFFBXIMQYMSEEB-LBPRGKRZSA-N 286.400 3.668 0 40 CHAB CCN(CC)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4030096 KHTYTECZYNVANU-VBQJREDUSA-N 286.419 3.908 0 40 CHAB CCc1cc2c(=O)n(CCC(C)C)c(=S)[nH]c2s1 6006306 DVQAGGSBKSJPCJ-UHFFFAOYSA-N 282.434 3.729 0 40 CHAB O=C1c2ccccc2CC[C@@]12N=NC[C@@H]2c1ccccc1 5053712 BBHOAMKKLRNTFS-AEFFLSMTSA-N 276.339 3.804 0 40 CHAB Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl 19736486 SHAQDYYAQVARDG-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Cc1ccccc1NC1CCN(C(=O)CCC(C)C)CC1 65611760 YXEHAXYUPHWKAB-UHFFFAOYSA-N 288.435 3.834 0 40 CHAB O=C(Nc1nccs1)c1ccc(-c2ccccc2F)o1 4784128 OFCGCUHLXOBXME-UHFFFAOYSA-N 288.303 3.795 0 40 CHAB C/C(=C\c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1C 15249270 QKGZQOLCAMOLCU-UJGDBWEASA-N 278.355 3.614 0 40 CHAB Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)c(O)c1 9502593 LDNKOEPDVHQOFV-UHFFFAOYSA-N 294.354 3.753 0 40 CHAB Cc1ccsc1C(=O)Nc1nc2c(s1)CCCC2 9884522 MPOIONXYIVZMFQ-UHFFFAOYSA-N 278.402 3.644 0 40 CHAB Cc1csc([C@H](N[C@@H](C)CC2CC2)C2CC2)n1 95423327 MWANTBSXULGPNE-TVQRCGJNSA-N 250.411 3.681 0 40 CHAB C1=C(c2cccnc2)CCN(c2nc3ccccc3s2)C1 95467571 RCDJARSQTLTGRL-UHFFFAOYSA-N 293.395 3.985 0 40 CHAB CC(C)CC(C)(C)C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 75108562 XTJNCPHWADIBFA-LLVKDONJSA-N 295.427 3.617 0 40 CHAB Cc1cc(-c2cn3c(C)c(C(=O)O)sc3n2)ccc1F 62493481 HHTIPVMPMJDQDM-UHFFFAOYSA-N 290.319 3.517 0 40 CHAB CC(=O)N1CCC[C@@H](c2ccc(-c3ccc(C)cc3)cn2)C1 72364995 UJTLKZNFJJNHAQ-GOSISDBHSA-N 294.398 3.783 0 40 CHAB CCCN1CCC[C@H]1c1ccc(NC2CCC2)nc1 72213840 XBHBAWNZMYOTPJ-HNNXBMFYSA-N 259.397 3.593 0 40 CHAB CCCOc1ccc(C(=O)NCCSC(C)(C)C)cc1 218980752 RQVVMTBJOQLOAL-UHFFFAOYSA-N 295.448 3.737 0 40 CHAB c1ccc(CN2CCC(n3cnc4ccccc43)CC2)cc1 33607704 KYMRBSIZQUQJLF-UHFFFAOYSA-N 291.398 3.873 0 40 CHAB Cc1ccc(/C=C/C(=O)N(C)C2CCCCC2)cc1 75244754 LQPKYFLGHFSOMJ-OUKQBFOZSA-N 257.377 3.799 0 40 CHAB CCN1CCO[C@@H](c2ccccc2)[C@@H]1c1ccccc1 31961915 IURFUVWDJAOBFS-ROUUACIJSA-N 267.372 3.821 0 40 CHAB COCc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1 32905301 FLNWAZIMQLATPA-SFHVURJKSA-N 295.382 3.593 0 40 CHAB Cc1cccc(Nc2ccc(N)cc2C(=O)NC2CC2)c1C 225464141 RWXRLISVCJIYKL-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB CCCCOc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 225170269 SOKGFMQEYUVEBR-YOEHRIQHSA-N 277.408 3.695 0 40 CHAB Cc1ccc(O[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1C 225054638 ZIADZKIMHFIIRY-INIZCTEOSA-N 288.318 3.517 0 40 CHAB COCCCNCc1cccn1-c1cc(Cl)ccc1C 223687080 YIAMAVWRWWQLEQ-UHFFFAOYSA-N 292.810 3.565 0 40 CHAB CCOC(=O)c1oc2cccc(OCC3CC3)c2c1C 85395600 KHFKFRMKDFXJKW-UHFFFAOYSA-N 274.316 3.707 0 40 CHAB CC(C)(C)n1cc(Nc2nc3ccccc3o2)cn1 49441691 FSGWEDOCRCBKQM-UHFFFAOYSA-N 256.309 3.523 0 40 CHAB CC(C)OC(=O)c1ccc(Nc2ccccc2)c(N)c1 225416229 HKHDWJUWEVNBKE-UHFFFAOYSA-N 270.332 3.578 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)c1cnc2ccccc2c1 43391867 BBIZNDPFMHFVIW-UHFFFAOYSA-N 287.240 3.883 0 40 CHAB CC[C@H](C)n1c(CCC(C)C)ccc1C(=O)OC 226024893 CRXAUYAALGSWMD-LBPRGKRZSA-N 251.370 3.834 0 40 CHAB Cc1ccc2c(c1)N([C@H](C)C(=O)O)C(C)(C)C[C@H]2C 260621983 QDOZJVYTZZCBJI-VXGBXAGGSA-N 261.365 3.560 0 40 CHAB CC(C)OCc1nc(-c2c[nH]c3ncccc23)cs1 585091555 QCWMPQBUUVGZOT-UHFFFAOYSA-N 273.361 3.611 0 40 CHAB CCc1ccc(C(=O)Nc2c(N)cccc2Cl)cc1 50352564 HSFSYWXXPDAZBC-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB Cc1cc(NC(=O)c2cccc(Cl)c2)n(C(C)C)n1 11695156 DLMHDLFYXJWTRG-UHFFFAOYSA-N 277.755 3.678 0 40 CHAB CC(C)/N=C1\S/C(=C/c2cccs2)C(=O)N1C(C)C 6325071 BHDGGPAKNXUVFS-PVESPXAVSA-N 294.445 3.837 0 40 CHAB Cc1cc(N)c(NC(=O)c2cccs2)cc1Cl 226347245 BNENLBJFWMWXPO-UHFFFAOYSA-N 266.753 3.544 0 40 CHAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccccc1 6275514 CMCLHMZWRQSJBB-CQSZACIVSA-N 284.428 3.994 0 40 CHAB CC(=O)c1ccccc1NC(=O)CCOc1ccccc1C 40159915 GQJNTKVXUUKZSH-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(CNc2ccc(CCO)cc2)o1 40737945 OTMRWSOJPJLIHN-MLGOLLRUSA-N 271.360 3.550 0 40 CHAB CN(C(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 32925332 ZAMWVOHBPWWSGD-CABCVRRESA-N 272.392 3.755 0 40 CHAB COc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 125961 HRKGBKZUDGEIHB-UHFFFAOYSA-N 299.351 3.662 0 40 CHAB CSCCCN(CCCSC)CCCSC 1632255 CTMLHDKKFMBSDI-UHFFFAOYSA-N 281.556 3.548 0 40 CHAB COc1ccccc1NC(=O)Oc1c(C)cccc1C 1732615 FZOFFLTTXGGQEK-UHFFFAOYSA-N 271.316 3.923 0 40 CHAB C[C@@H]1CC(c2ccccc2)(c2ccccc2)CN1C 2043893 VWXFASZGGRDJAU-OAHLLOKOSA-N 251.373 3.697 0 40 CHAB Cc1ccccc1NC(=O)CSC(=O)c1ccccc1 3230361 UJQCBPVVHUVHHN-UHFFFAOYSA-N 285.368 3.507 0 40 CHAB CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c(C)s1 4141464 JVIGKZPDFAJTAS-UHFFFAOYSA-N 290.432 3.878 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H](C)C1 8142709 RLVQLZXINSMGIX-AAEUAGOBSA-N 294.826 3.707 0 40 CHAB Cc1ccccc1-c1cc(C(=O)O)c2cnn(C(C)C)c2n1 12505158 GUNHHKDGOOZCOL-UHFFFAOYSA-N 295.342 3.686 0 40 CHAB CN(Cc1ccccc1)c1ncnc2sc3c(c12)CCC3 3285198 YZRVRGAUQUJJST-UHFFFAOYSA-N 295.411 3.816 0 40 CHAB COc1cccc2c1SCc1ccccc1[C@H]2CN(C)C 2021861 OMKCSQWWLSDBSG-MRXNPFEDSA-N 299.439 3.994 0 40 CHAB CCN(C(=O)Nc1ccccc1OC)[C@H](C)c1ccncc1 75110099 PPEXLQDAIADMDM-CYBMUJFWSA-N 299.374 3.705 0 40 CHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccsc1 12742481 GRDRFWXFKWRLHO-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccco2)o1 28231895 SGWYRCFLYMCPMD-UHFFFAOYSA-N 285.299 3.617 0 40 CHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cccs2)n1 36748342 SALLNYTVACOQKV-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB COc1cc2ccccc2cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 12896291 AGNLTKVNPVCFAR-KBPBESRZSA-N 297.398 3.967 0 40 CHAB C[C@H](CCNC(=O)c1cc(F)ccc1F)c1ccccc1 60338229 WFGBLRCQXQABCJ-GFCCVEGCSA-N 289.325 3.888 0 40 CHAB Cc1cc(C)nc(S[C@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)n1 100928218 ZXXWVGOLGNDPMP-RBOXIYTFSA-N 290.432 3.579 0 40 CHAB CC[C@H](C)NC(=O)NC1CCC(c2ccccc2)CC1 13745626 MWAPBGKFLWXZKR-JEYLPNPQSA-N 274.408 3.811 0 40 CHAB O=C(Cc1ccsc1)Nc1nc2ccc(F)cc2s1 6343082 FGRUAVSBMWJHEV-UHFFFAOYSA-N 292.360 3.678 0 40 CHAB CCCOc1ccccc1C(=O)Nc1ccc(OC)cc1 14036485 JOUFVRQAOPCHAR-UHFFFAOYSA-N 285.343 3.736 0 40 CHAB c1ccc2c(c1)ncn2C12CC3CC(CC(C3)C1)C2 5343584 OOGZDPHFQNYXJR-UHFFFAOYSA-N 252.361 3.962 0 40 CHAB COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 4576860 DAQROKUPQZDWMJ-UHFFFAOYSA-N 297.398 3.923 0 40 CHAB C[C@H](S[C@H](C)Cc1nc2ccccc2s1)[C@@H](C)O 83597301 PDVVQDIJQNEKQB-MXWKQRLJSA-N 281.446 3.730 0 40 CHAB O=c1[nH]c2ccc(-c3csc(-c4cccs4)n3)cc2[nH]1 9455053 KXPIWGDBKMQUIO-UHFFFAOYSA-N 299.380 3.708 0 40 CHAB C[C@H]1C[C@H](C)CN(Cc2cc(Cl)cc3c2OCOC3)C1 16695546 FWNWUVHKTALMLV-RYUDHWBXSA-N 295.810 3.684 0 40 CHAB Cc1ccc(CSc2nc(O)c3ccsc3n2)cc1 408597822 AGZHSPQZXCPFHC-UHFFFAOYSA-N 288.397 3.998 0 40 CHAB COc1cccc2c(Nc3cccc(N)c3)ccnc12 64875371 GIODPZRKDIAIFM-UHFFFAOYSA-N 265.316 3.569 0 40 CHAB CCN(CC)CCNCc1ccc(-c2ccccc2)cc1 21801415 WCNVREMNYPEYSX-UHFFFAOYSA-N 282.431 3.785 0 40 CHAB Cc1ccc(-c2nc(Cl)n(-c3ccccc3)n2)cc1 22125167 QDYTUNCTUNFBFG-UHFFFAOYSA-N 269.735 3.896 0 40 CHAB O=C(NCC1CCC1)c1ccccc1Nc1ccccc1 26140504 JUFQHZWGUDGOCM-UHFFFAOYSA-N 280.371 3.960 0 40 CHAB COc1ccc(-c2ccc(Br)cc2N)cc1 72206774 FUYNKTOYJHIOJA-UHFFFAOYSA-N 278.149 3.707 0 40 CHAB CC(C)Oc1cccc(C(=O)Cc2cccs2)c1 61666542 CMYMBBPYPTUOES-UHFFFAOYSA-N 260.358 3.961 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 72398474 IAFWDNUHCNWVCC-COXVUDFISA-N 294.398 3.597 0 40 CHAB CC(C)(C)c1cccc(OCCC2CCNCC2)c1 37428873 KROBTXDIMCKMPH-UHFFFAOYSA-N 261.409 3.753 0 40 CHAB C[C@@H]1C[C@@H](C)CN(CCCCOc2cccc(C=O)c2)C1 217795307 PGVUUDCCVVLVQM-HZPDHXFCSA-N 289.419 3.636 0 40 CHAB O=C(NCc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 43746179 XKPQOSADPPUHNZ-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB O=Cc1ccnc(-c2ccc(C(F)(F)F)cc2)c1 41307949 BIFMXJAOKTZHSA-UHFFFAOYSA-N 251.207 3.580 0 40 CHAB C[C@H](NC[C@@H]1CCCO1)c1ccccc1OC1CCCC1 225162245 RDERECKJMXNEPY-HOCLYGCPSA-N 289.419 3.838 0 40 CHAB CCOc1nc(Cl)c2c3c(sc2n1)CCCC3 329788104 LYHXAYTUQAGNKV-UHFFFAOYSA-N 268.769 3.622 0 40 CHAB Cc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1 226034394 KXKSCKIPKXHPCB-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB COc1ccccc1NC(=O)NCCCc1ccc(C)cc1 225767235 QLNBFMWBFPXZBM-UHFFFAOYSA-N 298.386 3.758 0 40 CHAB COC(=O)c1ccc(Cc2ccco2)n1Cc1ccccc1 226031700 KLAGOQIOYZKISZ-UHFFFAOYSA-N 295.338 3.507 0 40 CHAB COc1cc2c(Cl)csc2c(OC)c1OC 228924341 PODSLIGIOFLOMC-UHFFFAOYSA-N 258.726 3.581 0 40 CHAB CN(Cc1cccc(O)c1)C(=O)CC/C=C/c1ccccc1 96415611 FYVFHRXIBSGSFV-BJMVGYQFSA-N 295.382 3.844 0 40 CHAB Oc1ccc2ccccc2c1-c1nc(O)c2ccccc2n1 575410920 MWBDTVVVJAOJBE-UHFFFAOYSA-N 288.306 3.861 0 40 CHAB COc1cccc(-c2cc(=O)c3cccc(C)c3o2)c1 48057063 GCTAFXMIOTXQAW-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB COCc1ccccc1NC(=O)N[C@H](C)c1ccc(C)o1 46032985 YBTWYPKDECWMCW-GFCCVEGCSA-N 288.347 3.617 0 40 CHAB COC(=O)[C@@]1(C)CC(c2ccccc2)=N[C@@H]1c1ccccc1 5722028 GFIPTHSKIGKABL-MJGOQNOKSA-N 293.366 3.800 0 40 CHAB O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1ccco1 15838047 JKAAPDPMLYCWDJ-ZDUSSCGKSA-N 274.295 3.788 0 40 CHAB CC[C@@H](C)N[C@@H](C)c1cccc(Br)c1 19881999 HLHHDMMWSRCUBS-ZJUUUORDSA-N 256.187 3.898 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1ccc(O)c(Cl)c1 19840169 UIUDKOASYILASR-UHFFFAOYSA-N 279.698 3.745 0 40 CHAB Clc1ccc(OCC[C@@H]2CCCCN2)c(Cl)c1 20221545 VDPGIJCPCJINPJ-NSHDSACASA-N 274.191 3.904 0 40 CHAB in-vitro C[C@@H]1Cc2cc(C(=O)CCc3ccccc3)ccc2O1 6396 BIDJZAWEWJHSNW-CYBMUJFWSA-N 266.340 3.826 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)NC2CCCCC2)c1 13710128 DEYTTWIUIVQVRO-CQSZACIVSA-N 275.392 3.520 0 40 CHAB CN1CCC[C@H]1c1ccc2ncc(-c3cccc(F)c3)n2c1 2037846146 RIBJYCVRQXQGCB-INIZCTEOSA-N 295.361 3.907 0 40 CHAB O=C1c2ccccc2-c2c(N3CCCC3)[nH]c3cccc1c23 78546325 UQKIDACDBIMSNQ-UHFFFAOYSA-N 288.350 3.980 0 40 CHAB CCCCC(=O)Nc1nnc(-c2ccc(C)cc2)s1 3073323 GXEOUXQJHOTGRI-UHFFFAOYSA-N 275.377 3.642 0 40 CHAB NC(=O)c1ccc(CSCc2cccc(Cl)c2)cc1 9935520 QVOYPVQLJRYFJP-UHFFFAOYSA-N 291.803 3.872 0 40 CHAB COc1ccc(C(=O)CC(C)C)cc1C(F)(F)F 575242985 QBZNWJJHKWWDNU-UHFFFAOYSA-N 260.255 3.943 0 40 CHAB CCCCC[C@H](C(=O)O)[C@@H](C)CC(=O)NC1CCCCC1 2227719 DDWWBWGWCOFFDU-ZFWWWQNUSA-N 297.439 3.743 0 40 CHAB CSc1ccc(CNCCc2ccc(F)cc2)cc1 20018541 YEZJKFMHMZRPDN-UHFFFAOYSA-N 275.392 3.880 0 40 CHAB Cc1ccc(C[C@@H]2Sc3nc4ccccc4n3C2=O)cc1 547001 DUANDLHVNYKVNR-HNNXBMFYSA-N 294.379 3.702 0 40 CHAB C[C@@H]1CN(c2nc(-c3ccc(F)cc3)cs2)C[C@@H](C)O1 1059871 MUROXLDNBJXKAX-GHMZBOCLSA-N 292.379 3.563 0 40 CHAB Clc1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1 1388986 OZFODNNICWDTIL-UHFFFAOYSA-N 261.737 3.854 0 40 CHAB CNc1ccc2c(c1)C(=O)c1c(C)n(C)c3cccc-2c13 1575059 MRWXJRZJVQUMOO-UHFFFAOYSA-N 276.339 3.740 0 40 CHAB Cc1nc(NCCCOC(C)C)c2oc3ccccc3c2n1 2435362 FYEWEGWPPRWTOM-UHFFFAOYSA-N 299.374 3.911 0 40 CHAB CCOc1ccccc1NC(=O)COc1cccc(C)c1C 2762802 KTWMWYGCAPDMGE-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1cccs1 3272052 XUFZRHVWAFVCDJ-IDVQTMNDSA-N 269.369 3.739 0 40 CHAB CCCCc1ccccc1OCC(=O)Nc1nccs1 4105499 RJGYSNOCXKPMEX-UHFFFAOYSA-N 290.388 3.503 0 40 CHAB Cc1cccc(NC(=O)c2cc3c(C)nn(C)c3s2)c1 8748343 UZXIJEKHBAZHFA-UHFFFAOYSA-N 285.372 3.504 0 40 CHAB O=C(Nc1nccs1)[C@@H]1C[C@@H]1c1ccccc1Cl 9953196 UYIIIKBKGKWAPX-NXEZZACHSA-N 278.764 3.539 0 40 CHAB CCCn1c(/C=C/C2=CCN(C)CC2)nc2ccccc21 12115900 DJKCLFVTIYZPRJ-CMDGGOBGSA-N 281.403 3.721 0 40 CHAB COc1ccc2cc3c(nc2c1)OC(=O)N(C1CCCC1)C3 12146046 PQAUIXBLVQTXRR-UHFFFAOYSA-N 298.342 3.500 0 40 CHAB Cc1ccc(-c2noc([C@H]3COc4ccccc4O3)n2)cc1 12274839 FYBIEGAOLOQCDP-OAHLLOKOSA-N 294.310 3.558 0 40 CHAB Cc1noc(C)c1C(=O)N[C@@H](C)c1cc2ccccc2o1 14021105 AJTLVLOOTWXXCX-VIFPVBQESA-N 284.315 3.529 0 40 CHAB CCC[C@@H](NC(=O)/C=C/c1ccco1)c1ccccc1 14903591 JKFUNDYCZZLOCU-LPQFERQCSA-N 269.344 3.950 0 40 CHAB O=C(CCc1ccccc1Cl)Nc1nc2ccccc2[nH]1 21353952 KOFGZVBXLNQCTP-UHFFFAOYSA-N 299.761 3.788 0 40 CHAB COc1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 24836492 WRADLWAVFOHLKK-QGZVFWFLSA-N 281.355 3.754 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2C)n1 24861810 QTMXFIMQMCLZIT-UHFFFAOYSA-N 295.386 3.551 0 40 CHAB C[C@]12CC[C@@H]3c4ccccc4CC[C@@H]3[C@@H]1CC[C@@H]2O 27187837 MUENRDYXOADTOC-FPSMNIFISA-N 256.389 3.904 0 40 CHAB OC1CCN(Cc2sc3ccccc3c2Cl)CC1 27355152 QOOVOXZYYPHNDN-UHFFFAOYSA-N 281.808 3.511 0 40 CHAB Cc1nc(NC(=O)Cc2cccc3ccccc23)oc1C 32899724 SHMXDSREHQQBTB-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB CCOC(=O)c1cc2cc(Cl)c(Cl)cc2[nH]1 34487067 MDBCWFMQVCHGFJ-UHFFFAOYSA-N 258.104 3.651 0 40 CHAB Cc1csc(S[C@@H](C)C(=O)c2ccc(F)cc2)n1 35184876 NSYSZBWGOMRGLR-VIFPVBQESA-N 281.377 3.954 0 40 CHAB Clc1cc(Cl)c(OC2CCNCC2)cc1Cl 42776158 QEWUTJJYBLRRDS-UHFFFAOYSA-N 280.582 3.778 0 40 CHAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1cccc2cccnc12 43529728 KRVAXIPCVWHDAL-STQMWFEESA-N 298.390 3.534 0 40 CHAB CC(C)C[C@@H](C)N(C)C(=O)c1cnc(-c2ccccc2)nc1 58278027 LHQKOXMGKDBYHL-CQSZACIVSA-N 297.402 3.650 0 40 CHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC(C)(C)C 61037267 KUSIRWFOMUQZRN-UHFFFAOYSA-N 292.379 3.786 0 40 CHAB CN(C)[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 62124636 JYALUUFTEJQMCC-OAHLLOKOSA-N 288.778 3.581 0 40 CHAB Cc1cc(C2CCC2)nc(N[C@@H](C)c2ncccc2C)n1 71776743 PHLPOQVOMMBFNB-ZDUSSCGKSA-N 282.391 3.929 0 40 CHAB C[C@@H]1CCNc2ccccc2N1C(=O)OC(C)(C)C 71790387 FDXRUMKTDGIDPZ-LLVKDONJSA-N 262.353 3.632 0 40 CHAB in-vitro COc1ccc(C(C)(C)C)cc1C(=O)NC1CCCC1 72206514 QYNKLHBSLYMFJK-UHFFFAOYSA-N 275.392 3.665 0 40 CHAB CNCc1cnc(SC2CCCCC2)c(C)c1 72222805 RAISAAUHSMOAHO-UHFFFAOYSA-N 250.411 3.534 0 40 CHAB C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccccc1-n1cccn1 72313570 LXCRJYGACYEXSY-KGLIPLIRSA-N 298.390 3.525 0 40 CHAB CN1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72348575 FYVKJQSHEDNGSG-HNNXBMFYSA-N 284.378 3.621 0 40 CHAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccncc1Cl 73096444 LLGNSNBENWELGK-GYSYKLTISA-N 278.783 3.528 0 40 CHAB O=C(Cc1cccs1)NCc1cccc2ccccc12 74474321 NMEFHRUINFEKCQ-UHFFFAOYSA-N 281.380 3.760 0 40 CHAB Cc1cc(C)cc([C@H](C)NC(=O)Nc2c(C)noc2C)c1 78657423 CKPHHSQDQFKGBU-NSHDSACASA-N 287.363 3.791 0 40 CHAB COc1cc(C(=O)c2cc(F)ccc2C)ccc1F 95917035 KWSNJRXVPAMZKM-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc2ccccc2o1 97017281 PAGPGXUBBRAEQD-XGINMYPSSA-N 293.366 3.742 0 40 CHAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108981705 OOZVONGUDRKJRO-SGMGOOAPSA-N 297.320 3.758 0 40 CHAB NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 216814714 IXVPZZAHWPLCNX-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB O=C1CCC[C@@H]1[C@H]1CCCCCN1Cc1ccccc1 217464571 OMWBVERYXPTJQI-IAGOWNOFSA-N 271.404 3.800 0 40 CHAB CCOc1ccc(-c2noc(-c3ccc(N)c(C)c3)n2)cc1 225172545 ZPKFRBVCQQNMFT-UHFFFAOYSA-N 295.342 3.693 0 40 CHAB Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2F)cc1 225222266 UQORSSJNUKRNNR-UHFFFAOYSA-N 291.753 3.646 0 40 CHAB O=C(O)c1ccc(Cc2ccco2)n1Cc1ccc(F)cc1 226031760 JTNNEIAURSCCGJ-UHFFFAOYSA-N 299.301 3.558 0 40 CHAB CCC[n+]1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 226774407 WQCCVFAOEKWRGU-UHFFFAOYSA-N 272.759 3.581 0 40 CHAB CC[C@H](CC(F)(F)F)NC(=O)c1c(F)ccc(F)c1F 390833887 OMTVSLJZGZUSLP-ZCFIWIBFSA-N 299.214 3.565 0 40 CHAB Cc1cccc(CSCCNC(=O)Cc2ccccc2)c1 408907153 LOWZNENCLPGNBW-UHFFFAOYSA-N 299.439 3.587 0 40 CHAB CC[C@H](C)N1CCC(COc2ccncc2Cl)CC1 1889090356 OQFSGZDGVFLUBJ-LBPRGKRZSA-N 282.815 3.624 0 40 CHAB COc1ccccc1NC(=O)c1cc2cccc(OC)c2o1 8960593 YAPBJRXQKRIVCL-UHFFFAOYSA-N 297.310 3.702 0 40 CHAB Cc1ccc(SCC(=O)N2CCc3ccccc3C2)cc1 1099346 VPXZEXPGABFYDB-UHFFFAOYSA-N 297.423 3.672 0 40 CHAB Cc1ccc([C@@H](CN(C)C)C(=O)c2ccccc2)cc1 1665769 MTMMTHHYFQNUKN-QGZVFWFLSA-N 267.372 3.523 0 40 CHAB C[n+]1ccc(Nc2ccc(O)cc2)c2ccc(Cl)cc21 1695616 IPYDEOKUKGINPO-UHFFFAOYSA-O 285.754 3.767 0 40 CHAB C[C@H](NC(=O)c1cc2ccccc2[nH]1)[C@H]1C[C@H]2CC[C@H]1C2 105875856 KJAIHCHTYYYKCX-PWNZVWSESA-N 282.387 3.722 0 40 CHAB Cc1cnc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cn1 6236131 PFKNOGMOZAVSJB-UHFFFAOYSA-N 284.359 3.610 0 40 CHAB CCc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)cc1 7000171 DRPXHNBSGWKBRI-NSHDSACASA-N 284.359 3.614 0 40 CHAB CCCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 7262389 GSMLPBHXEVZDGX-UHFFFAOYSA-N 287.359 3.623 0 40 CHAB Cc1nc(CC(=O)Nc2cccc(Cl)c2C)cs1 7995533 XTQGGPMAYGJNJR-UHFFFAOYSA-N 280.780 3.595 0 40 CHAB CC12C3[C@H]4C[C@H]5C6[C@@H]7C[C@@H]3[C@H]3[C@H]7[C@H]7C(C8[C@H]1[C@H]4[C@H]5[C@H]8[C@@]67C)[C@H]32 104294446 GIOLPCYFILVKLC-RYSBJEQLSA-N 290.450 3.774 0 40 CHAB CCN(C(=O)[C@@H](C)c1ccccc1)c1ccccc1 85423554 VQLXCWUIRJTSPO-AWEZNQCLSA-N 253.345 3.843 0 40 CHAB CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 8324426 ATWKKEMFVQQXMG-UHFFFAOYSA-N 292.338 3.751 0 40 CHAB Cc1ccc(C2=NN[C@@]3(CCCC[C@@H]3C)S2)cc1 8372368 GNQZJEYYZZICGV-WFASDCNBSA-N 260.406 3.899 0 40 CHAB CC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 43656674 NHANSYIPNZEKFU-GFCCVEGCSA-N 297.358 3.528 0 40 CHAB CN(Cc1ccccc1)C(=O)CCc1ccc(Cl)cc1 53663157 QATGONRJUDMPHD-UHFFFAOYSA-N 287.790 3.931 0 40 CHAB O=C(OCc1ccccc1)c1cnc(Cl)c(Cl)c1 3228319 HPJKQUDQLVCGQP-UHFFFAOYSA-N 282.126 3.745 0 40 CHAB O=C(OCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 12600522 XLAHBEUBZVLAQM-UHFFFAOYSA-N 286.718 3.573 0 40 CHAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 59351886 UEWSUWNUWDNHCC-MAUPQMMJSA-N 281.355 3.586 0 40 CHAB CSCC[C@H](C)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 95968200 JANZJMDZOZZRQJ-YQQAZPJKSA-N 292.492 3.553 0 40 CHAB O=[S@@](c1ccccc1)[C@@H]1C[C@@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2 104292329 OITBQIGRFXNGRO-OTWZJWEPSA-N 284.424 3.929 0 40 CHAB C[C@@H](NC(=O)CSc1cccs1)c1cccs1 36391548 RKRZMIKXXIDWJN-SECBINFHSA-N 283.443 3.779 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@H]1Cc1ccc(C)cc1 100998743 RZFJEWGEYGKMHW-KRWDZBQOSA-N 278.355 3.576 0 40 CHAB Cc1cc(C)cc(NC(=O)[C@@H]2Cc3ccccc3S2)c1 11424732 LRNAOORZJUNLJD-INIZCTEOSA-N 283.396 3.959 0 40 CHAB O=C(Nc1cccc2c1ccc1cccn12)c1ccco1 4052189 DSPIUBGAJINGFH-UHFFFAOYSA-N 276.295 3.938 0 40 CHAB CCCCCCNC(=S)Nc1ccc(OC)cc1 4560967 OCEUCTJVGXFBFI-UHFFFAOYSA-N 266.410 3.562 0 40 CHAB O=C(Nc1ccc2ccccc2c1)c1ccc2[nH]cnc2c1 15415905 SULQECHZAQAEPT-UHFFFAOYSA-N 287.322 3.968 0 40 CHAB Cc1ccc(F)c(NC(=O)c2ccc3ccccc3n2)c1 15965262 ZNLXGNGZKXXDJF-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB O=C(CN1CCCC1)Nc1ccccc1Oc1ccccc1 7786130 OKUMJWSPFLTFKR-UHFFFAOYSA-N 296.370 3.513 0 40 CHAB Cc1ccccc1C(=O)c1c[nH]c2ccc(F)cc12 111683151 MAIOIOYYIWSBDM-UHFFFAOYSA-N 253.276 3.846 0 40 CHAB Clc1ccc(Cc2noc(-c3ccco3)n2)cc1 20853646 NZDSRDLFCODUED-UHFFFAOYSA-N 260.680 3.574 0 40 CHAB Cc1nnc([C@@H](C)Oc2cc(C)c(Cl)c(C)c2)o1 98013728 JXBUJGCCRMKJRG-SECBINFHSA-N 266.728 3.788 0 40 CHAB C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccncc1F 97135931 DPSIOAUESAZOCZ-GXTWGEPZSA-N 299.349 3.631 0 40 CHAB CN(C)c1cccc([C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)c1 98010446 OINXZCKSPQYETG-YJBOKZPZSA-N 298.430 3.772 0 40 CHAB Fc1cccc(CN2CCC[C@@H](NCc3ccccc3)C2)c1 89836537 UFIWXOGYHJVQIE-LJQANCHMSA-N 298.405 3.580 0 40 CHAB Nc1ccc(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 20194175 PWBFMWSDASCYJP-UHFFFAOYSA-N 299.132 3.967 0 40 CHAB COc1ccc(C(=O)NC2CCCCCCC2)cc1F 22872573 ARUFZSVXSMGGNX-UHFFFAOYSA-N 279.355 3.677 0 40 CHAB Cc1ncccc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 329527686 UJCAXCFSWPBWHG-INIZCTEOSA-N 296.370 3.536 0 40 CHAB Cc1ccc(Oc2ccc(C(=O)NCC(C)C)o2)cc1 72260111 VEXOLTQKZLXOIR-UHFFFAOYSA-N 273.332 3.766 0 40 CHAB O=Cc1c(-c2cccc(C(F)(F)F)c2)noc1Cl 71976716 AYDPWWBDKRXVPQ-UHFFFAOYSA-N 275.613 3.826 0 40 CHAB O=C(NCc1cccc(F)c1)c1cccc(C(F)(F)F)c1 73630974 BDBXKCAXTKJEAK-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB Cc1cc(C)cc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)c1 71978941 KLEIDQWOWXFYMQ-KRWDZBQOSA-N 294.354 3.695 0 40 CHAB CCCCN1CCC[C@@H]1c1cccnc1NC1CCC1 72213903 ULRGLZRRGOLEMO-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB CC1(C)[C@@]2(c3ccccc3)[C@H]3[C@@H](O)C[C@@H]3[C@@]12c1ccccc1 45070202 WZTHKHSGKBYGRU-GCGJSEPQSA-N 290.406 3.913 0 40 CHAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C)cn2)cc1 225470755 HVQHOFBBEPUITR-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB Cc1ccccc1Nc1ccc(N)cc1C(=O)OC(C)C 225462495 UVWCMVZBWXQANQ-UHFFFAOYSA-N 284.359 3.886 0 40 CHAB Cc1ccc2c(C)c(F)cc(Br)c2n1 85399571 QGNGJSBWBVVWKT-UHFFFAOYSA-N 254.102 3.753 0 40 CHAB Cc1cc(N)ccc1-c1ccc(C(=O)N2CCC[C@H](C)C2)o1 226304541 XAUZBRIPASPJIZ-LBPRGKRZSA-N 298.386 3.709 0 40 CHAB CC(C)N1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 83261364 DEMCWADZXQNSCH-YRNVUSSQSA-N 281.764 3.785 0 40 CHAB CCCC[C@@H](CC)CNC(=O)COc1ccccc1C 223365792 CYMQGERKLAXDFA-OAHLLOKOSA-N 277.408 3.706 0 40 CHAB CC(C)[C@H](C)NC(=O)/C(=C/c1ccco1)c1ccccc1 225185661 UBOCULZSRUZLKL-IQGJIOQQSA-N 283.371 3.981 0 40 CHAB O=C(NC1CC1)c1cccc(-n2ccc3ccccc32)c1 44227437 YDUMJGRIGIETTF-UHFFFAOYSA-N 276.339 3.523 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(OC)c(COC)c1 224395827 JTKJICSRWPHSDU-UHFFFAOYSA-N 299.370 3.656 0 40 CHAB C[C@@H](NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1 45302419 ZKFFJBXJJFDBJM-MRVPVSSYSA-N 274.191 3.953 0 40 CHAB in-vitro CCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCC1 225708105 NPYNVNDTXVVJMM-UHFFFAOYSA-N 297.782 3.636 0 40 CHAB Cc1cccc(C[C@H](Oc2cc(C)cc(C)c2)C(=O)O)c1 225017814 FPWSLGAXFJNWJU-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB Nc1cc(Nc2cccc(C(F)(F)F)c2)nc(C2CC2)n1 49467616 DYTMGLDRDFTDFZ-UHFFFAOYSA-N 294.280 3.699 0 40 CHAB Cc1cccc(C)c1NC(=O)CCc1ccc(C(=O)O)cc1 96479729 VFGKEECHVYIJRL-UHFFFAOYSA-N 297.354 3.573 0 40 CHAB COC(=O)c1ccc(F)cc1SCc1nc(C)c(C)o1 96490409 DDBQCVCXECIDIF-UHFFFAOYSA-N 295.335 3.509 0 40 CHAB [C-]#[N+]c1c(Br)cc(F)cc1Br 95698224 NKVUKZMXDUUNSR-UHFFFAOYSA-N 278.906 3.901 0 40 CHAB NNCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1 90613317 USRHROUVYKIUGU-UHFFFAOYSA-N 283.158 3.749 0 40 CHAB COc1ccc2c(=O)c(C(C)C)c(C(C)C)[nH]c2c1 685938778 XPQDNHBJYAKYIG-UHFFFAOYSA-N 259.349 3.784 0 40 CHAB CC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 58790617 ZRATXKPGBYTWGC-GFCCVEGCSA-N 260.406 3.918 0 40 CHAB O=C(Oc1ccc2c(c1)OCO2)c1cc2ccccc2s1 5240989 GQIZVKHZNSNBEO-UHFFFAOYSA-N 298.319 3.849 0 40 CHAB CCCC(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 14257926 GTEJWSSOKZVQKI-UHFFFAOYSA-N 294.354 3.911 0 40 CHAB COc1cc(C)c(NC(=O)c2ccc(C)cc2C)cc1OC 14713046 DCKLMOGTZXRROE-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)c(O)c1 5066038 OVHYVMYJHOJPSL-UHFFFAOYSA-N 275.735 3.535 0 40 CHAB Cc1ccc([C@H](NCc2ccccn2)C2CC2)cc1 35257380 YNCHBOPMVWIFHC-KRWDZBQOSA-N 252.361 3.631 0 40 CHAB COc1ccccc1[C@@H]1CCCC[C@H]1SCC(=O)O 1653757 BRCAEQAGGCZOHW-GXTWGEPZSA-N 280.389 3.539 0 40 CHAB CC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4267095 TWYGNCVVPRLNBU-UHFFFAOYSA-N 294.310 3.644 0 40 CHAB Cn1c2ccccc2n2c(N=O)c(-c3ccccc3)nc12 4455912 CTLRNSMFCIIPOO-UHFFFAOYSA-N 276.299 3.891 0 40 CHAB O=C(Nc1ccc(C2CC2)cc1)c1cccc(F)c1 10490669 BYKOQFCKZDUXJS-UHFFFAOYSA-N 255.292 3.955 0 40 CHAB CCCCc1ccc(C(=O)c2ccccc2C(=O)O)cc1 20381119 VNUUCYDAIBOFMG-UHFFFAOYSA-N 282.339 3.958 0 40 CHAB CCCc1ccc(C(=O)COc2ccccc2)cc1 35183883 TUMXFQDUKGRSNI-UHFFFAOYSA-N 254.329 3.901 0 40 CHAB CC1(C)CC(NCc2ccc(Cl)cc2)CC(C)(C)N1 20143067 IVLGAASRYXMGAG-UHFFFAOYSA-N 280.843 3.739 0 40 CHAB FC(F)(F)Oc1ccc([C@H]2NCCc3sccc32)cc1 20390597 HTPMFEFHLOIZKI-CYBMUJFWSA-N 299.317 3.882 0 40 CHAB CCc1nnc(NC(=O)c2occc2-c2ccccc2)s1 21289709 DRMIYDCKSWLRTK-UHFFFAOYSA-N 299.355 3.613 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1cccc(F)c1 365022 VWOCXPIIRSDILN-MRXNPFEDSA-N 269.319 3.633 0 40 CHAB O=C(O)c1cc(-c2ccco2)nc2c1cnn2C1CCCC1 22222266 KRTCGWKYWXVPFU-UHFFFAOYSA-N 297.314 3.505 0 40 CHAB Cc1cc(C)cc(NC(=O)C2SCSCS2)c1 114524 LEVKTQCOZSYLKM-UHFFFAOYSA-N 285.459 3.696 0 40 CHAB COc1cccc(C(=O)Nc2ccccc2OC(F)F)c1 557745 CTELNSBXJUPWIA-UHFFFAOYSA-N 293.269 3.549 0 40 CHAB CCN(CC)c1cc(-c2ccccc2)oc(=O)c1Cl 1571595 YILCZPSQSJPUFZ-UHFFFAOYSA-N 277.751 3.806 0 40 CHAB CN(C)C(=O)O[C@@H](c1ccc(Cl)cc1)c1ccccn1 1661286 CBDAMVRHOONCRX-AWEZNQCLSA-N 290.750 3.523 0 40 CHAB CC(C)CCC(=S)N1CCN(c2ccccc2)CC1 1736155 NNFMGWIZCISTNO-UHFFFAOYSA-N 276.449 3.572 0 40 CHAB C[C@H]1CCCCN1c1nc2ccccc2nc1Cl 984049 AUYXWYBRNTZVIL-JTQLQIEISA-N 261.756 3.662 0 40 CHAB COc1ccc(C)cc1Nc1ncnc2sccc12 7983142 GOTWUIIYTKUPPT-UHFFFAOYSA-N 271.345 3.752 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)Cc2cccs2)c(C)c1 3231032 BDENJWBACLKQQV-CYBMUJFWSA-N 273.401 3.726 0 40 CHAB COc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1C 9049103 GCBYTXOBXFLEFF-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB S=C(NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 9188250 XBGWJQSOIJLSOT-KRWDZBQOSA-N 297.423 3.798 0 40 CHAB O=c1oc2ccccc2cc1-c1cc2ccccc2oc1=O 9972768 GHCRWJLFNDIAHM-UHFFFAOYSA-N 290.274 3.566 0 40 CHAB Cc1noc(C)c1CSc1nnc(-c2ccoc2C)o1 12797527 AWOUZZZRQPCUKG-UHFFFAOYSA-N 291.332 3.535 0 40 CHAB O=C(NCc1cccc(Cl)c1)c1ccc2ccccc2n1 3361266 WRIXAHXNRSCTJP-UHFFFAOYSA-N 296.757 3.818 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)NCc1cccc(Cl)c1 3392750 ZTCQOJOZJCVZCA-UHFFFAOYSA-N 298.773 3.680 0 40 CHAB Cc1nc(CS(=O)(=O)c2ccc(C(C)C)cc2)cs1 48363150 PHJGRQNZCZYOBH-UHFFFAOYSA-N 295.429 3.549 0 40 CHAB Cc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)o1 11565816 SBGITNJTYSVSPK-SNVBAGLBSA-N 292.718 3.670 0 40 CHAB O=C(CCC1OCCCO1)c1ccc2ccccc2c1 2518130 DEXBVFCIYISFQO-UHFFFAOYSA-N 270.328 3.566 0 40 CHAB CCn1ccnc1S[C@H](C)C(=O)c1c[nH]c2ccccc12 11890627 UHHVOQTUOAEHNG-LLVKDONJSA-N 299.399 3.748 0 40 CHAB COc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1C 12815333 BZOXWVOPGQYDRB-ZDUSSCGKSA-N 281.355 3.595 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)on1 3908720 RSHHCXUQBXPEND-UHFFFAOYSA-N 276.723 3.766 0 40 CHAB CCN(Cc1cccs1)C(=O)CCc1ccccc1 39975973 NNCCRSTYDNKXDD-UHFFFAOYSA-N 273.401 3.729 0 40 CHAB CCC(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 66198144 ATZKAXNIEBHFRO-UHFFFAOYSA-N 282.343 3.596 0 40 CHAB CNc1cc(C(C)C)nc2c(-c3ccccc3)c(C)nn12 6764489 PGFCBJJHYYFHFV-UHFFFAOYSA-N 280.375 3.870 0 40 CHAB O=C1COCc2nc3ccccc3c(-c3ccccc3)c21 96319350 ARHZHJYAENEGGU-UHFFFAOYSA-N 275.307 3.615 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2)o1 18181040 DKYYYYWBJKLNLD-SNVBAGLBSA-N 262.284 3.610 0 40 CHAB COc1ccc(C(=O)Nc2cc(F)ccc2F)cc1C 20025563 AQKJWNGVCZFBOS-UHFFFAOYSA-N 277.270 3.534 0 40 CHAB CC(=O)Nc1ccc(CN[C@@H](C)c2ccccc2F)cc1 26311902 JECDAKVQSAFSPN-LBPRGKRZSA-N 286.350 3.635 0 40 CHAB Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccccc1F 34791945 FBQJQLOBFGAWOU-UHFFFAOYSA-N 295.317 3.777 0 40 CHAB COC(=O)/C=C/c1ccc(-c2cc(Cl)ccc2OC)o1 216764925 VYGDDVGGEZFRAO-VMPITWQZSA-N 292.718 3.795 0 40 CHAB CC[C@@H](Cl)C(=O)c1ccc(C(F)(F)F)cc1 394699118 WYJROZAFINQQDB-SECBINFHSA-N 250.647 3.906 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)N(C)c2ccccc2)c(C)c1 75402869 WNFJCZMSYNJIGK-OAHLLOKOSA-N 283.371 3.734 0 40 CHAB Cc1cncc([C@@H]2CCCN2Cc2ccccc2)c1 72211332 WGQOXVXOBQPHQV-KRWDZBQOSA-N 252.361 3.727 0 40 CHAB Cc1cccc2c1N(C(C)(C)C(=O)O)C(C)(C)C[C@@H]2C 223204786 QIFKIQWVGYVJPG-LBPRGKRZSA-N 275.392 3.950 0 40 CHAB O=C1Nc2ccccc2/C1=C/c1ccc2ncccc2c1 40313335 NRUSUSGSMWNSBP-PTNGSMBKSA-N 272.307 3.728 0 40 CHAB biogenic Cc1ccc(CCNC(=O)c2ccc3[nH]c(C)c(C)c3c2)o1 223245114 XZSYLFNAHNWJJR-UHFFFAOYSA-N 296.370 3.659 0 40 CHAB COc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1C 225107219 WYVVKKJOMLYODQ-UHFFFAOYSA-N 277.408 3.948 0 40 CHAB CC(C)c1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 226265052 PMJALTFOSJJLBD-UHFFFAOYSA-N 286.766 3.780 0 40 CHAB Nc1ccc(N2CCc3ccccc32)c(Br)c1 43596468 IBADCLZDLKZJTC-UHFFFAOYSA-N 289.176 3.726 0 40 CHAB CC1=CC(C)(C)N(C(C)(C)C(=O)O)c2ccc(C)cc21 223203845 YGYDFZQXUPSJRY-UHFFFAOYSA-N 273.376 3.860 0 40 CHAB CCc1ccc(OCC[C@H]2CCCNC2)c(Cl)c1 42770887 HNQSJFINTLICAE-CYBMUJFWSA-N 267.800 3.671 0 40 CHAB CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(C)C)c1 49130679 GUENPEMSUGWVNV-HNNXBMFYSA-N 274.364 3.542 0 40 CHAB O=C(c1ccccc1CN1CCSCC1)C1CCCC1 85651710 RGQMMZKDXRASNW-UHFFFAOYSA-N 289.444 3.608 0 40 CHAB Cc1cc(Br)c2oc(-c3ccncc3)nc2c1 41569590 JJSRVVWBIPSLPB-UHFFFAOYSA-N 289.132 3.961 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2ccccc2C)cc1N 226265447 YTFBAYFBGORXQK-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB Clc1ncn(C(c2ccccc2)c2ccccc2)n1 95116237 WLHMIMQORBDFBK-UHFFFAOYSA-N 269.735 3.569 0 40 CHAB O=C(Nc1cc(-c2ccccn2)no1)c1ccccc1Cl 96183985 AVPMKZPNZMPAGN-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB Cc1cccnc1-c1nc(-c2ccccc2)c(C(=O)O)s1 90750040 OCZBNWYYKBUKFN-UHFFFAOYSA-N 296.351 3.879 0 40 CHAB CCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCCc2ccccc21 95483070 QFLGGFHQRAPBEC-QZTJIDSGSA-N 298.430 3.568 0 40 CHAB CC[C@H](C(=O)O)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260612859 BOOZSCLMPFIFAK-TZMCWYRMSA-N 275.392 3.950 0 40 CHAB Fc1ccc(Br)cc1N1CCCCC1 95915584 XFDNTRUMPLALPE-UHFFFAOYSA-N 258.134 3.579 0 40 CHAB CCOC(=O)[C@H](c1ccc2ccccc2c1)[C@H]1CCCCN1 575440697 OTQVTBPHZRARTL-QZTJIDSGSA-N 297.398 3.629 0 40 CHAB in-vitro CC(C)c1c(C(F)F)[nH]c2ccc(F)cc2c1=O 685937925 BETZCJGEFKSKAM-UHFFFAOYSA-N 255.239 3.728 0 40 CHAB Cc1cc(C(=O)N2CCSc3ccccc32)c(C)o1 32997925 QKGGPPZFVGKFTQ-UHFFFAOYSA-N 273.357 3.649 0 40 CHAB CC(C)CCCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 32803430 KHLHCHNLZVBHRU-NSHDSACASA-N 284.350 3.761 0 40 CHAB O=C(CCCC1CCCCC1)N1CCO[C@H]2CCC[C@@H]21 53377913 HUEYXZLVSJZDHJ-HOTGVXAUSA-N 279.424 3.517 0 40 CHAB CCOC(=O)[C@@H](C)N1Cc2ccccc2-c2ccccc2C1 60361227 BODAECSMYHHFAH-CQSZACIVSA-N 295.382 3.621 0 40 CHAB Cc1ccc([C@H](C)N(C)c2cc(Cl)nc(N)n2)c(C)c1 58434644 FWPUMYVLNFRCKI-NSHDSACASA-N 290.798 3.526 0 40 CHAB C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)CCc1ccco1 75145809 LIILRSNQPZLPQT-TZMCWYRMSA-N 289.400 3.678 0 40 CHAB O=Cc1c(Br)cc(Cl)cc1Br 1848351669 UGLGRHBWAQLGIC-UHFFFAOYSA-N 298.361 3.678 0 40 CHAB O=C1c2ccccc2N[C@@H]2C(=C3CCCC3)CC[C@@H]12 5338551 DSBMMZMTLMBWEM-GDBMZVCRSA-N 253.345 3.944 0 40 CHAB CCc1ccccc1NC(=O)c1cccnc1SC 5616442 GUSJUMINJOPGTQ-UHFFFAOYSA-N 272.373 3.618 0 40 CHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1F 18114388 YEPXYYGKKSKTAI-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB Nc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 19771818 BWBNYZHOMGTTMK-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N)cc1 8581513 XUEHUKMVOSJLFC-DAXOMENPSA-N 275.392 3.886 0 40 CHAB CCCCc1ccc(NCc2ccc(C(=O)O)o2)cc1 8702196 XYRKCKWLXAAKLN-UHFFFAOYSA-N 273.332 3.933 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCCCC1 50079374 BBCDHYJFXPBLNK-LBPRGKRZSA-N 281.783 3.510 0 40 CHAB O=C(Cc1ccccc1)Nc1nc2ccc(F)cc2s1 1264595 VCPGTRSWGCONRK-UHFFFAOYSA-N 286.331 3.617 0 40 CHAB O=C(NCCc1ccc(-c2ccsc2)s1)C1CCC1 575414100 UTZNBDKJPIMRKM-UHFFFAOYSA-N 291.441 3.935 0 40 CHAB Cc1cc(C)c2cc(C(=O)N[C@H](C)c3ccccn3)[nH]c2c1 31228292 PZHHSFFISKUIET-CYBMUJFWSA-N 293.370 3.671 0 40 CHAB FC(F)(F)c1ccccc1OCC[C@@H]1CCCCN1 20593579 GWYHTERACIYKLW-NSHDSACASA-N 273.298 3.616 0 40 CHAB CO/C=C(\Oc1ccccc1C)C(=O)Nc1cccc(C)c1 366702 IERBEJBSQFXMIP-ATVHPVEESA-N 297.354 3.809 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 514093 HSRVFGIKXPCBQE-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB Cc1ccc(SCS(=O)(=O)c2ccc(C)cc2)cc1 478262 SIGRHCSGGKWXDH-UHFFFAOYSA-N 292.425 3.827 0 40 CHAB CC[C@@H](C(=O)Nc1cc(C)ccc1O)c1ccccc1 367771 DDLPEDAHYHKMAX-CQSZACIVSA-N 269.344 3.833 0 40 CHAB Cc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@H](c1ccncc1)N2 377076 YZFLWQYXBOQANK-COXVUDFISA-N 266.344 3.634 0 40 CHAB N=c1c2c(n(Cc3ccc(Cl)cc3)c3c1CCC3)CCC2 478453 OYOPDPNOZYCMMQ-UHFFFAOYSA-N 298.817 3.647 0 40 CHAB biogenic CCc1nc2ccccc2c(C(=O)Nc2nccs2)c1C 2639907 VQTXZGWABLFQON-UHFFFAOYSA-N 297.383 3.814 0 40 CHAB Nc1sc2c(c1C(=O)c1cccc(F)c1)CCCC2 3434677 AVINEQRMMABGCF-UHFFFAOYSA-N 275.348 3.579 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccc(F)c(F)c1 4242397 IKILLFQBPSUQAK-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB S=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1Cl 4891209 RVJGHFDWJPTTHB-UHFFFAOYSA-N 299.226 3.983 0 40 CHAB COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 5110289 MFWCMQAWWCHFNY-UHFFFAOYSA-N 292.338 3.738 0 40 CHAB CCCOc1ccc(Cn2c(=O)sc3ccccc32)cc1 5234852 PKPCCZCKLWYVGM-UHFFFAOYSA-N 299.395 3.900 0 40 CHAB CCc1ccc(/C=C/C(=O)Nc2ccccc2F)o1 5488038 BXBOOIREHRXBCY-MDZDMXLPSA-N 259.280 3.633 0 40 CHAB CCCc1nnc(SCc2ccccc2Cl)o1 5844892 FHCUXGCMUASJQQ-UHFFFAOYSA-N 268.769 3.968 0 40 CHAB CC[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 6115937 OMRVLWXPYXQGHG-VPIOIWJLSA-N 272.175 3.921 0 40 CHAB COc1ccc2oc(C(=O)Nc3ccc(C)cn3)c(C)c2c1 7281577 KXKQHRSIOWWXEJ-UHFFFAOYSA-N 296.326 3.706 0 40 CHAB Nc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 7468555 SVCZKVJSCXQSMW-UHFFFAOYSA-N 280.249 3.540 0 40 CHAB C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 8168467 WFEDHWJHOXDCHU-ZDUSSCGKSA-N 287.790 3.802 0 40 CHAB CN(Cc1cccc(Cl)c1)c1ncnc2ccsc12 8750985 BBCWLLSOCSKZML-UHFFFAOYSA-N 289.791 3.981 0 40 CHAB Cc1ccc(CN(Cc2ccc(C)o2)C[C@H]2CCCO2)o1 9846074 QEVODIKEPXXLPC-OAHLLOKOSA-N 289.375 3.671 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2cccnc2)cc1Cl 10262227 VISBAMWQEAUNFT-LLVKDONJSA-N 289.766 3.926 0 40 CHAB Cc1cc(/C=C/C2=CCN(C)CC2)c(C)n1C1CC1 12154303 OLLFHPJVCGGLMI-SNAWJCMRSA-N 256.393 3.715 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C)C1 12953179 NROSCWJKDBKFMY-GFCCVEGCSA-N 284.359 3.522 0 40 CHAB Cc1ccccc1NC(=S)Nc1ccc(F)cc1 13786379 AODLAAJOGXGKOA-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1Cc1ccc(C)cc1 16292247 RZFJEWGEYGKMHW-QGZVFWFLSA-N 278.355 3.576 0 40 CHAB CCO[P@]1(=O)C=C(C)N(C)[C@@H]1c1ccccc1 16688046 QOLMNTZCLSEOSB-SUMWQHHRSA-N 251.266 3.807 0 40 CHAB Cc1cc(O)c(Cl)c(C)c1NC(=O)c1ccccc1 16807756 NTMIIIZNFCHJAH-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB CCOc1ccc([C@@H](N)c2ccccc2Cl)cc1 19967410 KSGHJSOUOLCSCO-OAHLLOKOSA-N 261.752 3.787 0 40 CHAB in-vitro Cc1ccc(CC(=O)NCCSCc2ccccc2)cc1 20104991 VHSNKDLBPOFLIC-UHFFFAOYSA-N 299.439 3.587 0 40 CHAB Cc1cc(C(=O)Nc2cccc3cccnc23)c(C)o1 23718548 AGYXACIAODTTFK-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CC[C@@H](NC(=O)Cc1cccs1)c1ccc(OC)cc1 24595313 QPPDFHXWJJNTKQ-OAHLLOKOSA-N 289.400 3.567 0 40 CHAB COc1ccc(-c2c(C=O)cnn2-c2ccccc2)cc1C 27825219 BIDNBKVZNIMXEQ-UHFFFAOYSA-N 292.338 3.669 0 40 CHAB CC(C)(C)c1cc(NC(=O)c2cccc(F)c2F)no1 27925227 DNRKRLBSFMRSCJ-UHFFFAOYSA-N 280.274 3.503 0 40 CHAB COC1CCC(C2=N[C@@H]3CCCC[C@@H]3SC2)CC1 31949053 GXBXXGBYRZEHJT-SJQFEJMWSA-N 267.438 3.691 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCC2 32666218 DXQDZTUTCKYAIZ-INIZCTEOSA-N 257.377 3.580 0 40 CHAB CSc1nccc2c1ccn2Cc1ccc(F)cc1 32918856 WRGMCQNPPCUYDN-UHFFFAOYSA-N 272.348 3.946 0 40 CHAB O=C(Cc1cccs1)c1ccc(Cl)cc1F 38126028 LPDUBLDMURPODT-UHFFFAOYSA-N 254.713 3.966 0 40 CHAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccsc1 40534464 SXLHRDPAFIHFPC-GFCCVEGCSA-N 251.395 3.848 0 40 CHAB COc1cc(Cl)ccc1C(=O)CCCCCCC(=O)O 43214168 VARFQWMMAJYRLI-UHFFFAOYSA-N 298.766 3.957 0 40 CHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C(C)C)cc1 54683430 ABPCDRAIQSAAIM-QGZVFWFLSA-N 296.370 3.670 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2N 61946919 SXFQJBRXNODJBV-IZGRHMBUSA-N 289.463 3.637 0 40 CHAB CC(C)(C)OC(=O)c1cc(F)ccc1Br 66325659 YTPNUWRXGPLOBX-UHFFFAOYSA-N 275.117 3.544 0 40 CHAB COCCCCC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 71915258 XYWQAUQCTWRGER-JKSUJKDBSA-N 289.419 3.516 0 40 CHAB c1ccc(-c2cc(CNc3ccc4cc[nH]c4n3)[nH]n2)cc1 72168527 MQEYXVRVQKXHIO-UHFFFAOYSA-N 289.342 3.565 0 40 CHAB Fc1ccccc1-c1cncc(Br)c1 72192735 UPMNVYHPZQRQDF-UHFFFAOYSA-N 252.086 3.650 0 40 CHAB CCCN1CCC[C@@H]1c1ccc(NCC(C)C)nc1 72213315 UIHGGULBFVLOJS-OAHLLOKOSA-N 261.413 3.696 0 40 CHAB CC(C)N(C(=O)c1cccc(F)c1Cl)C1CCOCC1 74957616 JMVOOQCXQHAEKC-UHFFFAOYSA-N 299.773 3.509 0 40 CHAB Cc1ccc(C(=O)c2cccc3ccccc23)cc1N 83774463 QYZOSANTNVLWQJ-UHFFFAOYSA-N 261.324 3.961 0 40 CHAB CSCCCCNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 84705598 DFGAJKPZXJYPPQ-DZGCQCFKSA-N 292.448 3.532 0 40 CHAB Cc1noc(C)c1NC(=O)N(C1CC1)[C@H](C)c1ccco1 86284837 SYYULDMSDZFTOU-SNVBAGLBSA-N 289.335 3.642 0 40 CHAB C[C@@H]1SCCN(C(=O)Nc2ccc3[nH]ccc3c2)[C@@H]1C 89920022 SXWIXQYZKHOXEZ-MNOVXSKESA-N 289.404 3.526 0 40 CHAB Cc1c(CN[C@H]2C[C@H](C)Sc3sccc32)cnn1C 90888184 GVJLDNOYTKRYPR-ZANVPECISA-N 293.461 3.505 0 40 CHAB CC(C)n1ccc(C[S@@](=O)[C@H](C)c2cccs2)n1 95418335 YKGFTMGAHKXHRS-ZMZPIMSZSA-N 282.434 3.535 0 40 CHAB O[C@H](c1ccc(F)cc1Br)C1CCCC1 95731373 VXUSTIYBIMHXFR-LBPRGKRZSA-N 273.145 3.812 0 40 CHAB COc1ccc(C(=O)c2cccc(C)c2C)c(OC)c1 95916794 WITIHBUYUFNRMJ-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB CCC(CC)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 95961295 LRELLXZEHWTZKP-CQSZACIVSA-N 294.826 3.614 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccccc1OC(F)F 105672328 OZFXERIGQHVFNP-NTZNESFSSA-N 297.345 3.843 0 40 CHAB Fc1cnc(Cl)nc1NC12CC3CC(CC(C3)C1)C2 105993038 ZBDLTWFYSHZNQD-UHFFFAOYSA-N 281.762 3.650 0 40 CHAB CC(C)(C)CC(C)(C)NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 107325678 ZOZSEYUMTZPSPD-AVGNSLFASA-N 282.497 3.854 0 40 CHAB Fc1ccc([C@@H]2C[C@H]2c2nc(-c3ccncc3)no2)c(F)c1 193198377 SKMHHLPWFCRLEH-QWHCGFSZSA-N 299.280 3.681 0 40 CHAB O=C(c1ccco1)N1CCCC[C@H](c2ccc(F)cc2)C1 211079213 YSMYJXZFKQVYTI-AWEZNQCLSA-N 287.334 3.829 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1ccccc1 216337146 ICVRFVBURZRLEW-HNNXBMFYSA-N 297.398 3.675 0 40 CHAB Cc1cc(C)cc(O[C@@H](Cc2cccc(C)c2C)C(=O)O)c1 225022714 TUTKRMYMPXPWJB-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CC(C)SCc1ccc2oc(C(=O)O)cc2c1 169086 YMFPGFWQOQENJY-UHFFFAOYSA-N 250.319 3.773 0 40 CHAB C[C@@H](O)c1ccc(Oc2ccc([C@@H](C)O)cc2)cc1 262378 NKDKJEOJMQSDNA-VXGBXAGGSA-N 258.317 3.586 0 40 CHAB Cc1ccc(C(=O)N2CCCc3ccccc32)cc1C 265822 KDKTVCLOOXTMFR-UHFFFAOYSA-N 265.356 3.896 0 40 CHAB C[C@H]1COc2ccccc2N1C(=O)c1ccccc1Cl 1389051 ZQFFBZTYTNUOFE-NSHDSACASA-N 287.746 3.768 0 40 CHAB CCC(=O)O[C@H](C)COc1ccc(C(C)(C)C)cc1 1583935 NEFNHMXPJLEBTD-GFCCVEGCSA-N 264.365 3.705 0 40 CHAB C[C@]1(Cc2ccccc2)OC[C@@H](c2ccccc2)O1 1685997 QZMPOBJTQZEMJT-IRXDYDNUSA-N 254.329 3.733 0 40 CHAB CCOC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 2379002 PMVQNZOSDZOHCO-UHFFFAOYSA-N 282.339 3.880 0 40 CHAB CC(C)Sc1nnc(C2CC2)n1-c1ccccc1 2623436 DGIBCUNXAWWVCM-UHFFFAOYSA-N 259.378 3.645 0 40 CHAB COc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1OC 3547942 GUXOCTZQQQUUOR-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB Cc1ccc(NCc2nnc(-c3ccccc3)o2)c(C)c1 4513671 HVEMMILQYXZXQE-UHFFFAOYSA-N 279.343 3.966 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1nnc(CC(C)C)s1 4553307 BSPACXYMZIUPLI-LLVKDONJSA-N 283.441 3.892 0 40 CHAB CC(=O)c1c(C)[nH]c(-c2csc(N3CCCC3)n2)c1C 6541197 PEKXWJQYBLMBPN-UHFFFAOYSA-N 289.404 3.558 0 40 CHAB CC[C@H](NC(=O)COc1cccc(C)c1)c1ccc(C)cc1 7792578 ZREOKXWJKCGPLZ-SFHVURJKSA-N 297.398 3.950 0 40 CHAB Cc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCO2 8272227 AFUJAKXYCNPGQN-UHFFFAOYSA-N 289.718 3.629 0 40 CHAB Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1C 8719337 SNWFQOBLVGKECT-UHFFFAOYSA-N 292.382 3.757 0 40 CHAB COc1ccccc1C(=O)Nc1ccc(SC)cc1 8945875 ROWQFIVTECASEH-UHFFFAOYSA-N 273.357 3.669 0 40 CHAB CCC(CC)NC(=O)c1nc(-c2ccccc2)oc1C 15084133 SVSLWEBWMXEYNZ-UHFFFAOYSA-N 272.348 3.568 0 40 CHAB O=C(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12 15779808 ZYCSHQBGKAGFMY-UHFFFAOYSA-N 260.296 3.880 0 40 CHAB COC(=O)c1cc(Cl)c2cc(C(F)(F)F)ccc2n1 16158343 SKOHCGWHHULWAN-UHFFFAOYSA-N 289.640 3.694 0 40 CHAB CCc1cccc(NC(=O)c2cncn2-c2ccccc2)c1 16640085 FZFJRDTWWTXISM-UHFFFAOYSA-N 291.354 3.687 0 40 CHAB O=C(/C=C\c1ccccc1)Nc1ccccc1Cl 17021667 FKLXMLNUDVRAJG-KHPPLWFESA-N 257.720 3.992 0 40 CHAB CCc1ccc2c(c1)Cc1cc(C)cc(C)c1S2(=O)=O 18194201 VJWNYHZFOFNVLD-UHFFFAOYSA-N 286.396 3.603 0 40 CHAB CCCNC(=O)[C@@H](CC)Oc1cccc2ccccc12 20457472 SFNVYFNBZWFJGU-OAHLLOKOSA-N 271.360 3.523 0 40 CHAB Oc1ccc(-c2ccc3cc(O)ccc3c2)c(O)c1 28878526 BXZJBSHLEZAMOP-UHFFFAOYSA-N 252.269 3.624 0 40 CHAB in-vivo CCC(C)(C)NC(=O)c1ccc(OCc2ccncc2)cc1 29864844 QSJTWILOBNZMAZ-UHFFFAOYSA-N 298.386 3.579 0 40 CHAB Fc1ccccc1Oc1ncccc1NC1CCOCC1 32534854 XQZSDHAXMLIRPH-UHFFFAOYSA-N 288.322 3.604 0 40 CHAB Cc1nc(N)sc1Cc1ccc(Cl)cc1Cl 36219653 ANARRDBJKXJJSB-UHFFFAOYSA-N 273.188 3.931 0 40 CHAB O[C@H](Cc1ccccc1)c1ccc(Br)cc1 37464410 JYLIIPKJJWWRMG-CQSZACIVSA-N 277.161 3.725 0 40 CHAB CC(C)Cc1noc(CN2CCC[C@H]2c2cccs2)n1 40050399 WHZLCDNWAMSLLG-LBPRGKRZSA-N 291.420 3.667 0 40 CHAB CC[C@@H](C)[C@H](NC(=O)C1CCC1)c1nc2ccccc2[nH]1 40146160 GBUOVPSOJMUCFN-ABAIWWIYSA-N 285.391 3.566 0 40 CHAB CC(=O)c1ccc(Oc2cccc(N(C)C)c2)cc1 40714663 RDAXFDVFDNVGDD-UHFFFAOYSA-N 255.317 3.748 0 40 CHAB CCOC(=O)c1nc(-c2ccccc2Cl)cs1 42407107 BWJMWSPKWNVQFQ-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB in-vitro CC[C@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)C 44844849 WXUVOQCJQRAUAK-HNNXBMFYSA-N 285.387 3.912 0 40 CHAB Cc1ccc2nc([C@H]3CCN(C4CCCCC4)C3)[nH]c2c1 49168987 ISYMAFVDMFWSTA-AWEZNQCLSA-N 283.419 3.993 0 40 CHAB biogenic,in-vitro CCc1cccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 51315637 CKEWVESQTPCVII-UHFFFAOYSA-N 297.383 3.953 0 40 CHAB CCOc1cccc(NC(=S)NC2CCCCC2)c1 54971794 AWTQXWONOWSEKY-UHFFFAOYSA-N 278.421 3.704 0 40 CHAB CCN(CC)C(=O)c1ccc(-c2ccsc2)nc1C 69531625 WKSZDRNSQPOINQ-UHFFFAOYSA-N 274.389 3.601 0 40 CHAB Brc1ccc2c(c1)[C@H]1CCCC[C@H]1N2 71484275 FWGKDJGZEJDJEF-MWLCHTKSSA-N 252.155 3.901 0 40 CHAB CCN1CCC[C@@H]1c1cccnc1N1CCCCCC1 72216693 AGPVEGNGTKERKU-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccco1 72221542 ZWJQISNNSNXSBP-CQSZACIVSA-N 271.316 3.753 0 40 CHAB Cc1occc1C(=O)NCc1ccc(-c2cccnc2)cc1 89540649 VFLNIQJYHATNNG-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB CC(C)Sc1ccccc1NC(=O)C[C@H]1CCCO1 89891034 ZUHYZCCPZRVHBW-GFCCVEGCSA-N 279.405 3.695 0 40 CHAB C[C@@H](NCc1ccnc2[nH]ccc12)c1ccc(F)cc1F 95462180 HBYXFOCJWWYYKN-SNVBAGLBSA-N 287.313 3.692 0 40 CHAB Cc1cc(C(=O)C(F)(F)F)ccc1OCC(C)C 95732776 VWQUXKDCGADIJB-UHFFFAOYSA-N 260.255 3.775 0 40 CHAB FC(F)(F)SCCNCc1cccc(Cl)c1 95918357 CNSBDLPXSNHRSX-UHFFFAOYSA-N 269.719 3.683 0 40 CHAB C[C@@H]1CCC[C@H](Nc2cccc(C[S@](C)=O)c2)[C@@H]1C 97237417 SILIOTDCYBBNAK-QXMSGVSCSA-N 279.449 3.802 0 40 CHAB C1CCN(C[C@H]2CO[C@]3(CC[C@H]4CCCC[C@@H]4C3)O2)CC1 101120270 XBGMCAWJVPHBRD-ZJPYXAASSA-N 293.451 3.574 0 40 CHAB C[C@H](CC(=O)N1CCCC1)c1ccccc1Br 104161749 YRRXVOYIUZRDHC-LLVKDONJSA-N 296.208 3.565 0 40 CHAB CC[C@H](C)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 181308384 VTNLXFTVCDXWHM-DTWKUNHWSA-N 277.334 3.511 0 40 CHAB C[C@H](Oc1ccccc1)C(=O)NC(C)(C)Cc1ccccc1 222747301 PMIFVBBFQBARTK-HNNXBMFYSA-N 297.398 3.591 0 40 CHAB CC[C@@H](C(=O)O)N1c2ccc(C)cc2C(C)=CC1(C)C 223196435 OLWYNWKYUISAEF-AWEZNQCLSA-N 273.376 3.860 0 40 CHAB Cc1ccc(OCCNC(=O)Nc2ccccc2)cc1C 223380675 MZRDQDFGQQWFMJ-UHFFFAOYSA-N 284.359 3.504 0 40 CHAB CCCOCc1c(Br)cnn1[C@@H](C)CC 408716067 IMZIVXPEZJFLLJ-VIFPVBQESA-N 275.190 3.543 0 40 CHAB CC(C)[C@@H]1COC(c2cccc(-c3ccccc3)n2)=N1 1911947636 UCJZWXYRFWPQSW-INIZCTEOSA-N 266.344 3.550 0 40 CHAB O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1c(Cl)cccc1Cl 36541 OTDGJRIHNWDMMQ-PTRXPTGYSA-N 284.186 3.912 0 40 CHAB Cc1cc(C)cc(NC(=O)COc2ccccc2C)c1 38411 SBUVIQMNPYUQPB-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB OCc1ccc(Sc2ccc(Cl)cc2)cc1 479347 YUXHYKPCYQGDQG-UHFFFAOYSA-N 250.750 3.984 0 40 CHAB CC(C)CNc1ncnc2c1[nH]c1ccc(Cl)cc12 542920 JKAJZJPLJLNGDQ-UHFFFAOYSA-N 274.755 3.832 0 40 CHAB CCc1ccccc1NC(=O)CSc1ccccc1 561727 HOXBJKKUDFUJEU-UHFFFAOYSA-N 271.385 3.980 0 40 CHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc3c(c2)OCO3)c1 1000828 XQSCOLJVXSZEDJ-CYBMUJFWSA-N 297.354 3.523 0 40 CHAB COc1ccc(COC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 1711304 APKUABFBZYGPPH-HZPDHXFCSA-N 288.387 3.977 0 40 CHAB Oc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)o1 1717610 FJWSRZRCDLGEQW-UHFFFAOYSA-N 289.294 3.657 0 40 CHAB Cc1cc([C@@H](O)C(F)(F)F)c(C)n1CCC(C)C 3389708 WSVSIIXHQCSQFY-GFCCVEGCSA-N 263.303 3.747 0 40 CHAB O=C(Cc1cccc2ccccc12)NCc1ccc(F)cc1 3551597 NMAAXRYIPKXKTC-UHFFFAOYSA-N 293.341 3.838 0 40 CHAB CC[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@H]1O 4119589 OKNRTYWYWMOJGO-WJFTUGDTSA-N 281.399 3.849 0 40 CHAB Cc1ccc(C)c2[nH]c(=O)c(CNC3CCCCC3)cc12 4130502 XMKQJYZVIBYOGJ-UHFFFAOYSA-N 284.403 3.567 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1cc(OC)cc(OC)c1 5707958 ROEKURQKSCXZSM-ZDUSSCGKSA-N 293.407 3.650 0 40 CHAB Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2n1C 6266414 RQZFXSYQOFLOJA-UHFFFAOYSA-N 299.418 3.619 0 40 CHAB aggregator CNC(=S)Nc1ccccc1Sc1ccccc1 6274477 WOWHOXONEKJRRG-UHFFFAOYSA-N 274.414 3.754 0 40 CHAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1C1CC1 7886009 SXFGLIZTHHEYSG-INIZCTEOSA-N 282.318 3.555 0 40 CHAB Cc1nc(-n2ccnc2)c2c(-c3cccs3)csc2n1 7989220 VWTYMLAFLKPSHR-UHFFFAOYSA-N 298.396 3.914 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 8714218 WWGIBUOCPUZTGM-VXGBXAGGSA-N 283.799 3.721 0 40 CHAB N[C@H](c1ccncc1)c1ccc(OCc2ccccc2)cc1 11832624 KQHSVUCAUIYKQD-IBGZPJMESA-N 290.366 3.709 0 40 CHAB Cc1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cc1 11917129 SFHUVZJSFWFSRX-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)c1ncoc1-c1cccs1 12239825 KNKTVEORODSLJB-WDEREUQCSA-N 290.388 3.712 0 40 CHAB O=C(CCCc1nc2ccccc2s1)Nc1ccccn1 12527148 RUNVYBKIXXVKFS-UHFFFAOYSA-N 297.383 3.653 0 40 CHAB CCC(CC)NC(=O)Cc1csc(-c2cccs2)n1 12877052 IYYZYNZJKIEKRI-UHFFFAOYSA-N 294.445 3.719 0 40 CHAB Cc1cccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)c1 13769331 UHOHVOTXMAQDFV-UHFFFAOYSA-N 289.402 3.746 0 40 CHAB C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(F)cc1F 14573826 ZXZPITWKLJKBNN-JTQLQIEISA-N 293.288 3.524 0 40 CHAB CC(=O)C[C@H](C)CC(=O)c1ccc(Br)cc1 16756367 GXIZPWDFYZDAMM-VIFPVBQESA-N 283.165 3.637 0 40 CHAB CC(C)c1ccccc1O[C@H](C)C(=O)N(C)C1CCCC1 22515272 UDEMOJMIUKDCTA-CQSZACIVSA-N 289.419 3.978 0 40 CHAB O=C(CCCc1nc2ccccc2s1)NC1CCCC1 26537427 PQWHNGICXIAHAR-UHFFFAOYSA-N 288.416 3.678 0 40 CHAB O=C(NCc1cc(F)cc(F)c1)c1c(F)cccc1Cl 30482449 ZPLKXMJORDNEIK-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB CC(=O)c1cccc(NC(=O)CSc2cccs2)c1 32809947 LUOJANFNARLZMJ-UHFFFAOYSA-N 291.397 3.682 0 40 CHAB NC(=O)c1cc(Sc2ccccc2F)nc2ccccc12 32828985 NOEXTJQHHOWXGH-UHFFFAOYSA-N 298.342 3.624 0 40 CHAB C[C@H]1CCC[C@H](C)N1Cc1ccc(N)cc1Br 37515911 FPVDVIKKPOYZMN-QWRGUYRKSA-N 297.240 3.794 0 40 CHAB CCCC(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1 40107655 FGEKUYZQHWQPQP-UHFFFAOYSA-N 298.386 3.907 0 40 CHAB CCc1cc(Cl)ccc1OCC[C@H]1CCCNC1 42770958 KQQHVVOVBRLXDD-GFCCVEGCSA-N 267.800 3.671 0 40 CHAB Clc1ccc(OC[C@@H]2CCNC2)c(-c2ccccc2)c1 42771181 KBIVIDXWOXGZBO-CYBMUJFWSA-N 287.790 3.995 0 40 CHAB c1ccc(CN2CC[C@H](c3nc4ccccc4s3)C2)nc1 49168952 MFJWGYFVAFNPDF-ZDUSSCGKSA-N 295.411 3.681 0 40 CHAB biogenic,in-vitro c1ccc(-n2cc(CN[C@H]3CCc4ccccc43)cn2)cc1 53602534 PPGXXSWSJITSJG-IBGZPJMESA-N 289.382 3.649 0 40 CHAB O=[S@@](Cc1ccccc1)Cc1ccc(F)cc1Cl 58132276 QGPDUVLTYPVLEP-GOSISDBHSA-N 282.767 3.928 0 40 CHAB CC(C)C[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)O 62718001 QAEFQOXKWJQGEE-HNNXBMFYSA-N 287.359 3.536 0 40 CHAB O=C(CSC1CCCC1)N(Cc1ccsc1)C1CC1 63415134 BRBNNRCXJYTRHW-UHFFFAOYSA-N 295.473 3.915 0 40 CHAB Cc1c(C(=O)N2CC[C@@H]2c2ccccc2)cnn1C(C)(C)C 71820893 YNHASOFHKVTHKC-MRXNPFEDSA-N 297.402 3.534 0 40 CHAB CCN1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 72213975 ONIVZYZQKWPHHG-INIZCTEOSA-N 273.424 3.983 0 40 CHAB C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc2[nH]ncc2c1 78055403 SZZMASXSPQHAKJ-NSHDSACASA-N 297.333 3.519 0 40 CHAB CN(C(=O)c1c[nH]c2ccc(F)cc12)c1ccccc1 82272992 LCLGHOBSKBYJAZ-UHFFFAOYSA-N 268.291 3.584 0 40 CHAB CC(C)(C)OC(=O)Nc1ccoc1C(F)(F)F 85388675 SGRUQTAYBAOMIT-UHFFFAOYSA-N 251.204 3.645 0 40 CHAB CCc1n[nH]c(S[C@H](C)c2ncc(C(C)(C)C)o2)n1 89279900 XEURHVIUWCJYID-MRVPVSSYSA-N 280.397 3.506 0 40 CHAB Cc1ncsc1CN[C@@H](C)c1ccc(F)cc1N(C)C 95421958 ZVVWNFRQAHBENY-JTQLQIEISA-N 293.411 3.507 0 40 CHAB Cc1ncccc1CNc1cc(C(C)C)nn1C(C)C 95988590 WWEDFHKBTRJXNA-UHFFFAOYSA-N 272.396 3.903 0 40 CHAB C/C(=C\C(=O)N[C@H]1CCC[C@@H](C)C1)c1ccc(F)cc1 96313726 BGRXYDMSYOMQSG-YGKJOQAUSA-N 275.367 3.924 0 40 CHAB CCCCn1ccc(-c2cc(Cl)nc([C@H](C)OC)n2)n1 96529131 XLTBZBVKIJKXAK-JTQLQIEISA-N 294.786 3.501 0 40 CHAB CC(C)N(C(=O)c1ccccc1C(F)(F)F)C(C)C 97001178 ZYZWHSVHVZTFOI-UHFFFAOYSA-N 273.298 3.964 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)o1 107900745 GZIDGWCEDDCBQF-HVFFUGGRSA-N 273.376 3.542 0 40 CHAB O=C(c1c[nH]c2cccc(Br)c12)C(F)(F)F 114703791 AKUDWWYAOQAMRE-UHFFFAOYSA-N 292.054 3.675 0 40 CHAB CCOC(=O)c1nc(-c2ccc(C)cc2)sc1C 161548091 UGLBRENORBTAIK-UHFFFAOYSA-N 261.346 3.604 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1cnc(C2CC2)nc1 222595088 JWCIQIVNZTVANB-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB CCc1ccc(CC(=O)N[C@H](C)c2ccccc2OC)cc1 224232089 LZNOUKSGYCPLDP-CQSZACIVSA-N 297.398 3.678 0 40 CHAB CCc1ccc(CC(=O)NC[C@H](C)c2ccccc2)cc1 225135908 ZCUDHYFRSMZOLY-HNNXBMFYSA-N 281.399 3.711 0 40 CHAB CC[C@H](NC(=O)c1ccc(OC)c(F)c1)c1ccccc1 225390951 YLDVFOPLTGSAPF-HNNXBMFYSA-N 287.334 3.715 0 40 CHAB Cc1cc(Br)ccc1-n1cnc(C)c1C 225793411 RPTRJVOZYFOCMN-UHFFFAOYSA-N 265.154 3.560 0 40 CHAB O=C(c1cc(-c2ccccc2)on1)N1CCC(=C2CC2)CC1 238825086 DOAFEJUBQHBMCW-UHFFFAOYSA-N 294.354 3.668 0 40 CHAB CC[C@H](C)n1ccc(NCc2cc(F)cc(F)c2)n1 256053387 RFZYPNYQKDQQMQ-JTQLQIEISA-N 265.307 3.744 0 40 CHAB CC(=O)c1c(F)cccc1NC[C@@H](C)c1nccs1 273327529 QOKCOKMWDXROGG-SECBINFHSA-N 278.352 3.700 0 40 CHAB Cc1cc(-c2ccc(C=O)s2)ncc1Br 536953302 JDRXVMAWDRIWSJ-UHFFFAOYSA-N 282.162 3.694 0 40 CHAB CCCN[C@]1(c2ccccc2Cl)CCCCC1=O 575598450 ALSYVNZHMWPPNW-HNNXBMFYSA-N 265.784 3.678 0 40 CHAB in-vitro CC[C@@H](c1ccccc1)c1nc(-c2ccc(O)cc2)n[nH]1 642882480 CQJCAMVXLZKEID-HNNXBMFYSA-N 279.343 3.719 0 40 CHAB O=C(NCC(c1ccco1)c1ccco1)C1CCCCC1 675007845 UTKMDPOKRAOBTH-UHFFFAOYSA-N 287.359 3.701 0 40 CHAB Cc1cn(C)c([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1 1848352224 VEKAKHZRVMNSTQ-KRWDZBQOSA-N 294.402 3.547 0 40 CHAB CC(=O)Nc1ccc(/C=C/c2ccc(NC(C)=O)cc2)cc1 247928 UVPMLXBZUJILHQ-ONEGZZNKSA-N 294.354 3.774 0 40 CHAB O=C(Cc1cccc(C(F)(F)F)c1)NC1CCCCC1 263663 BIJUSNSMOGOUTM-UHFFFAOYSA-N 285.309 3.697 0 40 CHAB CC1CCN(c2ccccc2NC(=O)C(C)C)CC1 558452 XGTNVYNMWTZRNL-UHFFFAOYSA-N 260.381 3.517 0 40 CHAB C(=C(\c1ccccc1)N1CCOCC1)\c1ccccc1 1720313 MHIFCLKKYRCSOC-OBGWFSINSA-N 265.356 3.517 0 40 CHAB C[C@H]1CCc2onc(-c3nnc(-c4cccs4)o3)c2C1 2803359 WZHONVQTYGYQKQ-QMMMGPOBSA-N 287.344 3.578 0 40 CHAB CSCc1ccc(C(=O)NCc2ccc(F)cc2)cc1 3435808 LXHIECVZTGWNFI-UHFFFAOYSA-N 289.375 3.619 0 40 CHAB CCn1cc/c(=N\c2ccc(N(C)C)cc2)c2ccccc21 4773394 RCSVDCBTVSJBPQ-CZIZESTLSA-N 291.398 3.960 0 40 CHAB CCCC(=O)c1ccc(OCc2ccccc2)cc1O 5417437 STSSNFYZLUWGFT-UHFFFAOYSA-N 270.328 3.954 0 40 CHAB Fc1ccc(-c2n[nH]c(=S)n2-c2ccc(F)cc2)cc1 5589184 ATGAVTDHMVBXRF-UHFFFAOYSA-N 289.310 3.875 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccc(C)c(C)c1 6329296 DKYJNJJBJWSKLG-LBPRGKRZSA-N 250.411 3.778 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CN1CCCCCCC1 6839949 QAJOFIQPRKQECE-UHFFFAOYSA-N 294.826 3.853 0 40 CHAB CC(C)c1cccc(NS(=O)(=O)c2ccccc2F)c1 7055727 VPGBCPLNTWEHGJ-UHFFFAOYSA-N 293.363 3.750 0 40 CHAB Cc1cccc(-c2noc(-c3cc(C(C)C)n[nH]3)n2)c1 7424928 CMKKLOTTYIKFOJ-UHFFFAOYSA-N 268.320 3.559 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC(C)CC1 7446717 CZTIWPIDOUMGCS-CQSZACIVSA-N 284.403 3.779 0 40 CHAB O=C(CNc1ccc(F)cc1)Nc1cccc(Cl)c1 7971653 IDRRBFFQFPWTMK-UHFFFAOYSA-N 278.714 3.530 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)cc1C 8041446 NINQCNCVMDXOKT-OAHLLOKOSA-N 291.435 3.868 0 40 CHAB Cc1c(Cl)cccc1NC(=O)c1cc(C)n(C)c1C 8051832 ZWUYGANQFYJNPV-UHFFFAOYSA-N 276.767 3.856 0 40 CHAB COc1ccc(NC(=O)c2cc3cc(OC)ccc3o2)cc1 8157740 JLKUPKBHNNWUDB-UHFFFAOYSA-N 297.310 3.702 0 40 CHAB O=C(NCCc1ccc(F)cc1)Nc1cccc(Cl)c1 8378099 BLRWKAAUQFBOMP-UHFFFAOYSA-N 292.741 3.843 0 40 CHAB CC(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 9836336 AXQJFQCNVSCFLH-UHFFFAOYSA-N 288.734 3.551 0 40 CHAB Cc1nc2c(c(SCc3ccc(F)cc3)n1)CCC2 12016172 MTMCJQKRVMBNSK-UHFFFAOYSA-N 274.364 3.705 0 40 CHAB CCOC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 12158392 RWQGVZNDETVUJI-AWEZNQCLSA-N 289.375 3.959 0 40 CHAB CC(=O)c1ccc(NCc2nc3ccccc3o2)cc1 12539521 OYYUAQDKXAFJKA-UHFFFAOYSA-N 266.300 3.643 0 40 CHAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)co1 12899708 WWFVOWUSSRAJMP-CQSZACIVSA-N 282.343 3.945 0 40 CHAB O=C(Nc1ccccc1)N1CCC(c2ccc(O)cc2)CC1 12990023 KUGZCAFSJZQDIW-UHFFFAOYSA-N 296.370 3.804 0 40 CHAB C[C@H](c1ccccc1)N(C)C(=O)Nc1ccccc1 13021910 SFXJJFNLWQDWLH-CYBMUJFWSA-N 254.333 3.912 0 40 CHAB CC(C)OC(=O)c1ccc2nc(-n3cccc3)sc2c1 13728420 WUQMAKHZMKPXBW-UHFFFAOYSA-N 286.356 3.652 0 40 CHAB Cc1csc(NC(=O)C2(c3ccc(Cl)cc3)CC2)n1 15007220 JWWYAFIVOWJVOM-UHFFFAOYSA-N 292.791 3.775 0 40 CHAB CCCN(CCC)S(=O)(=O)c1ccc2ccccc2c1 17022741 SFWGSAJDYFQOSR-UHFFFAOYSA-N 291.416 3.651 0 40 CHAB Nc1ccc(SCC(=O)Nc2ccccc2Cl)cc1 17023118 KYBXIHAQDJIEJV-UHFFFAOYSA-N 292.791 3.653 0 40 CHAB Cc1c(N)cccc1NC(=O)c1ccc(OC(C)C)cc1 19736326 XIKWCFBNXGJYMX-UHFFFAOYSA-N 284.359 3.617 0 40 CHAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@@H](C)CC3=O)cc1 20101621 YJCWEUGNJZUXOV-LLVKDONJSA-N 295.386 3.856 0 40 CHAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1C 22250585 WDZPXZHWKUNUTE-UHFFFAOYSA-N 275.392 3.846 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)n1C 23434058 ZKSHVEHNFDXRNZ-CQSZACIVSA-N 292.382 3.978 0 40 CHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H]1C[C@@H]1C 23646453 REKBCAZUUOEUIK-WMLDXEAASA-N 287.447 3.916 0 40 CHAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cccnc1 31245384 AHOJVKWMJBZDBU-UHFFFAOYSA-N 282.343 3.655 0 40 CHAB CCOC(=O)c1c(N)sc(C)c1-c1cccs1 33501035 CHWQWIBTDVKHRX-UHFFFAOYSA-N 267.375 3.544 0 40 CHAB O=C(O)[C@@H]1/C(=C\c2ccccc2)[C@H]1c1ccccc1 33848898 DDQINRMAUKWYHO-IBRCSUQUSA-N 250.297 3.568 0 40 CHAB CCCCCC(=O)Nc1ccc(-c2csc(N)n2)cc1 38149238 DHOLANZQZREZAL-UHFFFAOYSA-N 289.404 3.911 0 40 CHAB Clc1nccc(N2CCC(Cc3ccccc3)CC2)n1 38579658 OMUJVDICLZTUQJ-UHFFFAOYSA-N 287.794 3.589 0 40 CHAB Cc1ccccc1NC(=O)NCC1(c2ccc(F)cc2)CC1 38591532 ZXEPHYAREPYUPZ-UHFFFAOYSA-N 298.361 3.987 0 40 CHAB CCc1ccccc1NC(=O)CN(CC(C)C)C(C)C 40091284 AGTOHMKTIDXVQP-UHFFFAOYSA-N 276.424 3.554 0 40 CHAB Cc1cc2c(cc1C)C(=O)C[C@@H](c1ccccc1C(=O)O)O2 41181964 WIEJVCQZTZJNEZ-KRWDZBQOSA-N 296.322 3.708 0 40 CHAB COc1cccc(C(=O)c2ccc(Cl)c(Cl)c2)n1 45028763 DBZCYDBIEVVVDA-UHFFFAOYSA-N 282.126 3.628 0 40 CHAB COc1ccc(-c2nc3c(C)cccc3s2)cc1N 45946688 VHLWZBLZPPNRGK-UHFFFAOYSA-N 270.357 3.863 0 40 CHAB C[C@H](O)c1cnc(-c2ccc(Br)cc2)s1 54160757 AMWYWMJSHXIUJH-ZETCQYMHSA-N 284.178 3.626 0 40 CHAB in-vitro Cc1cn2nc(N3CCC[C@@H]3CC(C)(C)C)sc2n1 57831210 POBXWLLRWRDSSC-LLVKDONJSA-N 278.425 3.504 0 40 CHAB FC(F)c1nc(Cl)c2cc(Br)ccc2n1 62772552 JMECDSMTTDAVQG-UHFFFAOYSA-N 293.498 3.983 0 40 CHAB Cc1nn(C)c(C)c1C(=O)Nc1cccc(Cl)c1Cl 65609517 KADRAWKCGSODJH-UHFFFAOYSA-N 298.173 3.596 0 40 CHAB CC(C)(C)c1cnc(CN(Cc2ccco2)C2CC2)o1 69455420 PVSROFODONRMMC-UHFFFAOYSA-N 274.364 3.730 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1 72211005 JSPUENYCYLFJRH-INIZCTEOSA-N 282.343 3.555 0 40 CHAB CC(C)Sc1ncccc1[C@H]1CCCCN1C 72217556 FNIBCIMPRIXSHM-CYBMUJFWSA-N 250.411 3.739 0 40 CHAB CNc1ncc([C@@H]2CCCCN2CC(C)C)cc1C 72219002 LTDQLRXZNFJGMA-HNNXBMFYSA-N 261.413 3.615 0 40 CHAB C[C@H](c1ccccn1)N(C)Cc1ccc(Cl)cc1 95408715 ZAXBPNLIYFJJBU-GFCCVEGCSA-N 260.768 3.928 0 40 CHAB C[C@@H]1CCCC[C@@H]1OCCNc1ncnc2sccc12 95951812 ISVMZUMIGZMQRI-YPMHNXCESA-N 291.420 3.699 0 40 CHAB CC[C@](C)(NC(=O)c1ccsc1)c1nc(C)cs1 96423357 LEBSRTVQSMTEOZ-ZDUSSCGKSA-N 280.418 3.568 0 40 CHAB Cc1ccc(CCC(=O)NC2CCCCC2)cc1C 96621716 UHDULBOWFAPSLH-UHFFFAOYSA-N 259.393 3.685 0 40 CHAB Cc1nn(C(C)C)c(C)c1NC[C@H]1C[C@H]2C=C[C@H]1C2 103033377 MISORTSLSQPGAR-SOUVJXGZSA-N 259.397 3.705 0 40 CHAB O=C(O)c1cccc(Cl)c1OCc1ccccc1 156798383 OTMWOHVVXWSPPF-UHFFFAOYSA-N 262.692 3.617 0 40 CHAB CNCCCNc1cc(C)nc2ccc(C(C)C)cc12 222686533 ZABBVYLTUJHQGT-UHFFFAOYSA-N 271.408 3.688 0 40 CHAB Cc1cccc(O[C@H](Cc2c(C)cccc2C)C(=O)O)c1 225030474 WSXLICPWJJOJKI-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB Fc1cccc(NC(=S)NC2(C3CC3)CCCC2)c1 225855346 IBBLSGBGVASUPM-UHFFFAOYSA-N 278.396 3.835 0 40 CHAB Cc1nn(CC(C)C)cc1NCc1cccc(F)c1F 256050082 COISIMSTINCQGH-UHFFFAOYSA-N 279.334 3.738 0 40 CHAB Cc1cnc(-c2noc(/C=C3/CC[C@H](C)C3)n2)s1 333252140 SDLAMXDHLOOIBF-KZSPTFSBSA-N 261.350 3.705 0 40 CHAB O=C(NC1CCC(F)(F)CC1)C12CC3CC(CC(C3)C1)C2 336130075 HTJMASZSZRNUGZ-UHFFFAOYSA-N 297.389 3.897 0 40 CHAB COc1cc(C(=O)C(C)(C)C)ccc1Br 379901170 IJFBXLOGCAIFAD-UHFFFAOYSA-N 271.154 3.687 0 40 CHAB C=COCCCC(F)(F)C(F)(F)Br 1083809875 ZENUAOWXXCPDDT-UHFFFAOYSA-N 265.044 3.550 0 40 CHAB CCOc1ccc(NC(=S)Nc2ccccc2)cc1 53928 NORQOCZHCZNSCT-UHFFFAOYSA-N 272.373 3.894 0 40 CHAB CC(C)(C)c1ccc(-c2nnnn2-c2ccccc2)cc1 338106 WPAYSVNTACFHDN-UHFFFAOYSA-N 278.359 3.627 0 40 CHAB c1coc(CNc2ncnc3sc4c(c23)CCCC4)c1 364359 OZBAWCPXMIEVSW-UHFFFAOYSA-N 285.372 3.775 0 40 CHAB in-vitro CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccccc3)[C@@H]1[C@H]2C 1193622 PLYQNNOXZOYWGG-KVDVXYDOSA-N 272.388 3.585 0 40 CHAB biogenic Cc1ccc(N2N[C@@](C)(CCC(C)C)N=C2S)cc1 1249053 GRAOKZSTOKKLRP-HNNXBMFYSA-N 277.437 3.758 0 40 CHAB CC[C@@H](O)[C@@H](OC)n1c2ccccc2c2ccccc21 1271891 LFPIWXUJCHMLHC-IAGOWNOFSA-N 269.344 3.710 0 40 CHAB Clc1ccc(COc2cccc3cccnc23)cn1 1384593 WGZPKSZBRRATJT-UHFFFAOYSA-N 270.719 3.862 0 40 CHAB CC[C@H](C)OC(=O)C[C@H](c1ccccc1)N1CCCCC1 1569412 CQLCJFCUAHKNIE-DOTOQJQBSA-N 289.419 3.945 0 40 CHAB CCCCN1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C 2019930 VEPZOLKTNZOTTQ-INIZCTEOSA-N 288.435 3.815 0 40 CHAB in-man CCOC(=O)CCCC(=O)c1c(Cl)cccc1Cl 2580349 ZLUQJZFUDCTQGK-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB Cn1nc(C2CC2)c2c(C(F)(F)F)cc(C3CC3)nc21 2740871 RCMGRMOLIVGCQH-UHFFFAOYSA-N 281.281 3.742 0 40 CHAB CC(C)(C)c1ccc(NS(=O)(=O)c2cccs2)cc1 3335616 AUWSTVHDQUESCW-UHFFFAOYSA-N 295.429 3.846 0 40 CHAB NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 3886700 DWOFRWCQQMUIRA-ZDUSSCGKSA-N 270.763 3.912 0 40 CHAB CCOC(=O)c1sc(NC(=O)c2cccs2)cc1C 4144379 JLBDMZOOUXVQRV-UHFFFAOYSA-N 295.385 3.547 0 40 CHAB O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC1 4388557 AQTDSLHBRAAYDO-UHFFFAOYSA-N 251.285 3.935 0 40 CHAB O=C(CCc1nc2ccccc2[nH]1)NCCC1=CCCCC1 5209926 BEYWSEUYDCPKQQ-UHFFFAOYSA-N 297.402 3.502 0 40 CHAB CSc1cccc(NC(=O)c2ccc(F)cc2F)c1 6454216 FDFPUBRBOWPSTJ-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB Cc1nc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cs1 8941114 DDINVLHUTIYBKI-VOTSOKGWSA-N 272.373 3.720 0 40 CHAB COc1c(C)cccc1C(=O)Nc1ccc(F)cc1F 9141632 CQDJMRWHKTVOGM-UHFFFAOYSA-N 277.270 3.534 0 40 CHAB O=C(Nc1ccccc1O)c1cccc(C(F)(F)F)c1 9478281 XAOGTUWNLPXZIM-UHFFFAOYSA-N 281.233 3.663 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1-c1ccccc1 9499765 OKWGKZSFNMSVHZ-WFASDCNBSA-N 251.329 3.948 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc(C2SCCS2)cc1 9500048 MEMIBZKTKARWTA-SNVBAGLBSA-N 281.446 3.694 0 40 CHAB COc1cc2ccccc2cc1C(=O)Nc1ccnc(C)c1 10163200 UBUBRFNLVDEKFT-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CSc1nc2c(c(Nc3ccccc3C)n1)CCC2 11907745 JHFCUXMYTPTCDY-UHFFFAOYSA-N 271.389 3.739 0 40 CHAB O=C(NCCC1=CCCCC1)c1ccc2ncsc2c1 12782678 FOJZVQQYTSRBIP-UHFFFAOYSA-N 286.400 3.917 0 40 CHAB Cc1cc(NC(=O)c2ccccc2)c(C)c(Cl)c1O 16779930 VFZLZTDNGQYBSY-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB CC[C@H]1N2CCc3c([nH]c4ccccc34)[C@@H]2[C@H]2CCCCN21 19339321 WETNQTVELGGQDM-LMMKCTJWSA-N 295.430 3.671 0 40 CHAB Cc1cc(NC(=O)c2ccco2)ccc1-c1ccc(CO)o1 20139710 HFIFVBNAUDTPQL-UHFFFAOYSA-N 297.310 3.593 0 40 CHAB Nc1cc(C(=O)Nc2ccccc2Cl)ccc1Cl 20193813 PYXBAPMYANPAHF-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB C[C@]1(c2ccccc2)OC(=N)Nc2ccc(Cl)cc21 35088656 PGSDPKVMKMOURZ-OAHLLOKOSA-N 272.735 3.980 0 40 CHAB in-vitro CCCCN1C(=O)S/C(=C\Nc2ccccc2C)C1=O 36636208 LTZIQYXFIOGHMF-RAXLEYEMSA-N 290.388 3.744 0 40 CHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1c1ccsc1 37503755 HGAMFAVDAFNNOV-HNNXBMFYSA-N 297.383 3.602 0 40 CHAB O=C(c1ccc(F)cc1)N1CCCc2ccc(F)cc21 40117139 AZOLYDRNQYCORP-UHFFFAOYSA-N 273.282 3.558 0 40 CHAB CC[C@@H](Nc1ncnc2c(C)nn(CC)c12)c1ccccc1 57280196 ISYNJKCRXMGMBK-CQSZACIVSA-N 295.390 3.718 0 40 CHAB CC[C@H](C)NC(=O)N(Cc1ccco1)C1CCCC1 69420427 DMOSEUFAXYAIGW-LBPRGKRZSA-N 264.369 3.532 0 40 CHAB Cc1cc(CNC(=O)OC(C)(C)C)ccc1NC1CC1 70038106 XHBPJMUXDVUTRW-UHFFFAOYSA-N 276.380 3.594 0 40 CHAB in-vitro Cc1cccnc1[C@H](NC(=O)Cc1cccs1)C(C)C 79358245 HJGNSEDUKVMHGS-OAHLLOKOSA-N 288.416 3.508 0 40 CHAB CC(C)=CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1O 87493013 WKFZVPVRFGJMEY-UHFFFAOYSA-N 298.338 3.543 0 40 CHAB biogenic COc1cc(OC)c(F)c(NCc2ccccc2)c1F 90527803 CWDDYYUNWFYEGS-UHFFFAOYSA-N 279.286 3.594 0 40 CHAB CCCC(=O)Nc1cccc(NCc2occc2C)c1 95428688 LWQXFXLWXMEMOQ-UHFFFAOYSA-N 272.348 3.939 0 40 CHAB Fc1cc(Br)c(Oc2ccccn2)cc1F 95836309 OJMJDVXXCCAOAY-UHFFFAOYSA-N 286.075 3.915 0 40 CHAB Cc1cccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)c1 95917173 IBBRTTOGUJSLFI-UHFFFAOYSA-N 286.199 3.922 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccnc1 95963594 RIFOXOPCVNLOFY-ZDUSSCGKSA-N 290.750 3.531 0 40 CHAB O=C1Nc2ccccc2S[C@H](c2ccccc2)[C@H]1F 96171721 DCNMZQRULKKMHR-ZIAGYGMSSA-N 273.332 3.810 0 40 CHAB COc1ccc2cc([C@H](C)Sc3ncn[nH]3)ccc2c1 96436617 TUZVCQFRKBELIN-JTQLQIEISA-N 285.372 3.820 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cc1ccccc1)C2 105640882 ROQYJNSSIFGHGK-MPGHIAIKSA-N 271.404 3.560 0 40 CHAB C[C@H](Cl)C(=O)c1ccc2c(c1)Cc1cccnc1O2 215143320 JGBGIEPSSRGFBG-VIFPVBQESA-N 273.719 3.588 0 40 CHAB O=C(NCc1cccnc1-c1cccs1)[C@@H]1CC=CCC1 225760074 FZMIPZBXTIHRSB-CYBMUJFWSA-N 298.411 3.783 0 40 CHAB Nc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 255187046 AYMPFJBRSWYGQQ-UHFFFAOYSA-N 284.344 3.656 0 40 CHAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1ccco1 390829677 FVZILNDAYVXFDA-LBPRGKRZSA-N 281.421 3.806 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)cc1)c1cccs1 390830906 OGTDKZYQIRBVTH-UHFFFAOYSA-N 283.352 3.938 0 40 CHAB COc1cc(C(=O)CCSC)c(Cl)cc1Cl 393764980 PBLWJRKMWAAESN-UHFFFAOYSA-N 279.188 3.938 0 40 CHAB CC(C)Cn1cc2c(C(F)(F)F)cc(Cl)nc2n1 12398108 JKVHELGHKBOEHZ-UHFFFAOYSA-N 277.677 3.760 0 40 CHAB CN1CC[C@@H](C[C@@](O)(c2ccccc2)C2CCCCC2)C1 1628102 NZBBMMXOZYOFPC-QFBILLFUSA-N 287.447 3.796 0 40 CHAB CC[C@@H](C)c1ccc(OC[C@H]2CCNC2)c(Cl)c1 42770842 NVBHDMFJYNJPOP-NEPJUHHUSA-N 267.800 3.842 0 40 CHAB O=C(COc1ccc2ccccc2c1)Oc1ccccc1 4672596 RNHOFVOFIJEHQU-UHFFFAOYSA-N 278.307 3.824 0 40 CHAB CC1(C)N=C(S)C(c2ccc(Cl)cc2Cl)=N1 4891200 GLKBBLZYDIBLMP-UHFFFAOYSA-N 273.188 3.861 0 40 CHAB COc1ccc(C)cc1[C@H]1C[C@@H](C(=O)O)C(C)(C)[C@@H]1C 59432164 LWFAZDJFNGDVSA-DYEKYZERSA-N 276.376 3.854 0 40 CHAB C[C@@H](NCC(=O)Nc1cccc(Cl)c1)c1ccccc1 57370895 WQHNVCSQYFWFJH-GFCCVEGCSA-N 288.778 3.629 0 40 CHAB CCC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1Cl 1874017 ANUOYPJLLANBOF-GHMZBOCLSA-N 297.782 3.806 0 40 CHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCC2)cs1 12799341 QPOMAWKEKLBFCW-UHFFFAOYSA-N 298.411 3.808 0 40 CHAB Cc1ccccc1CNC(=O)Cc1cccc(Cl)c1 67793497 CQYWCSCNBRBNHJ-UHFFFAOYSA-N 273.763 3.507 0 40 CHAB CC(C)[C@@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 57160112 MSJBBPZPROUOTO-MNOVXSKESA-N 285.840 3.981 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccc(F)c(F)c1 2378921 LCUJTEDRSISWAF-UHFFFAOYSA-N 284.302 3.661 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(F)c1 20454598 AQHBMHNXWUSPDA-OAHLLOKOSA-N 291.297 3.761 0 40 CHAB Cc1nc2cc(NC(=O)CCc3ccccc3)ccc2o1 29796086 PDFDVMOVGWLKOV-UHFFFAOYSA-N 280.327 3.708 0 40 CHAB CC(C)c1nnc2sc(-c3ccc4ccccc4n3)nn12 8991657 DTUIYBWOOVZNOQ-UHFFFAOYSA-N 295.371 3.524 0 40 CHAB Cc1ccc(F)cc1NC(=O)Cc1ccccc1Cl 3566248 IBTWSHWKRTZXIC-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB Cn1ncc2c(C(F)F)cc(-c3ccccc3)nc21 20603040 BHLPXUUPYBYOGC-UHFFFAOYSA-N 259.259 3.573 0 40 CHAB Cc1csc(Sc2nc3ccccc3nc2C)n1 12926274 VMXHSYQHISKWMA-UHFFFAOYSA-N 273.386 3.854 0 40 CHAB OCc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl 4228172 GBPUTRPDZPPGRV-UHFFFAOYSA-N 284.746 3.685 0 40 CHAB CCc1ccc(C(=O)N(C)Cc2cccs2)s1 39980518 BXSQDJCZJBRRJX-UHFFFAOYSA-N 265.403 3.644 0 40 CHAB Cc1cccc(N2C(=O)CSC23CCCCC3)c1 4348806 DFPYFYCGNMHTBU-UHFFFAOYSA-N 261.390 3.735 0 40 CHAB O=C(CNc1cccc(F)c1)Nc1ccccc1Cl 6397275 NQIMYWHVEATHNK-UHFFFAOYSA-N 278.714 3.530 0 40 CHAB CC(=O)Nc1cccc(Oc2ccc(Cl)cc2N)c1 14629384 SMNJRABXVYTNMC-UHFFFAOYSA-N 276.723 3.673 0 40 CHAB CCC[C@@H](NCc1cnc(SC)nc1)c1ccccc1 62717243 CWMSLHSKHGNKAM-OAHLLOKOSA-N 287.432 3.830 0 40 CHAB O=C(c1ccccc1)N(Cc1ccco1)Cc1ccco1 6747326 AGRUWCOATNLXNE-UHFFFAOYSA-N 281.311 3.715 0 40 CHAB O=C1CCCSc2ccc(Br)cc21 15043117 RTRHFNSMIKVOHZ-UHFFFAOYSA-N 257.152 3.518 0 40 CHAB c1cncc(CN(Cc2ccco2)C2CCCC2)c1 69566521 HMMXAUGFVHSWKB-UHFFFAOYSA-N 256.349 3.619 0 40 CHAB CC(C)CCC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl 84510124 KMVLOOXXHJYPCY-OCCSQVGLSA-N 265.784 3.748 0 40 CHAB Cc1ccc(CNCc2nc3c(s2)CCCC3)s1 72294577 MFJNHXIQANQOGD-UHFFFAOYSA-N 278.446 3.682 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2C)cc1C 113959688 YKPAQDMZGBLWTB-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB Cc1ccc(C(=O)C(=O)N2CCCC[C@H]2CC(C)C)cc1 75110724 HIGFRUYBMQBWMO-INIZCTEOSA-N 287.403 3.605 0 40 CHAB COc1ccc(C(=O)Sc2nc3ccccc3n2C)cc1 408653525 JJOVYPXSKKGALS-UHFFFAOYSA-N 298.367 3.514 0 40 CHAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(Cl)nc1 72211458 TZUBMLOXJYUVDP-CQSZACIVSA-N 286.762 3.712 0 40 CHAB Cc1ccc([C@H](O)c2ccc(F)c(Cl)c2)s1 84007717 VLOJMBYCNYREQU-GFCCVEGCSA-N 256.729 3.931 0 40 CHAB CC[C@@H](NC(=O)c1cccnc1)c1ccc(C)cc1C 225431971 IVKMQNJZPLXLQK-MRXNPFEDSA-N 268.360 3.580 0 40 CHAB COc1ccc(CCC(=O)NCC2CCCCC2)cc1C 225204091 RXDZHJZEMMUXEX-UHFFFAOYSA-N 289.419 3.633 0 40 CHAB CCc1ccc(CC(=O)NCCCc2ccccc2)cc1 225850652 UAAUXTOUXFIQHM-UHFFFAOYSA-N 281.399 3.541 0 40 CHAB COc1cc2c(cc1C(=O)O)C(C)=CC(C)(C)N2C(C)C 223795022 WYCNUNOQBNXLGR-UHFFFAOYSA-N 289.375 3.804 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2N 253498593 SXFQJBRXNODJBV-XMFPSASZSA-N 289.463 3.637 0 40 CHAB CCCNC(=O)c1ccc(-c2ccc(C)cc2)nc1C 257173741 WAMMEWCAMNJCOJ-UHFFFAOYSA-N 268.360 3.505 0 40 CHAB CCCn1cc(CNCc2ccc(F)s2)c(C2CC2)n1 256054498 WONCOLDFBBSCEI-UHFFFAOYSA-N 293.411 3.661 0 40 CHAB COc1ccc(Cl)cc1C(=O)C(F)(F)Br 382682753 CEOJWCMPAAPNGB-UHFFFAOYSA-N 299.498 3.519 0 40 CHAB COc1cccc2[nH]c(C3CC3)c(C(C)C)c(=O)c12 685938785 XWYXPEBTHDYBJT-UHFFFAOYSA-N 257.333 3.538 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H](C)C(C)C 59036816 CQJZXRMIMKNRJK-JSGCOSHPSA-N 292.423 3.945 0 40 CHAB Nc1cc(Cl)ccc1NC(=O)CSc1ccccc1 19845964 BHMBKNPKLZLLFH-UHFFFAOYSA-N 292.791 3.653 0 40 CHAB CCCCCCOc1ccc(C(=O)NC2CC2)cc1 5614783 GCABNQDBCCAONA-UHFFFAOYSA-N 261.365 3.538 0 40 CHAB FC(F)(F)c1ccccc1NCc1cccnc1 19905181 VPIJPVWRDSUHSO-UHFFFAOYSA-N 252.239 3.713 0 40 CHAB O=C(O)CCc1ccc(OCc2ccccc2Cl)cc1 36194712 ACUANAQEHHGFEV-UHFFFAOYSA-N 290.746 3.936 0 40 CHAB C[C@H](NCC[C@H](C)[S@](C)=O)c1cc2ccccc2s1 126700632 GDCSINLGACWXJI-SYTFOFBDSA-N 295.473 3.709 0 40 CHAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCO1 35208020 PYYQCBBQDMIHRR-XVKPBYJWSA-N 294.704 3.733 0 40 CHAB CC[C@@H]1CCCCN1C(=O)Nc1cc(F)ccc1C 40097798 LDPNJZWYSGRFCS-CYBMUJFWSA-N 264.344 3.931 0 40 CHAB Cc1ccc(OCCCCNC(=O)[C@H]2CC=CCC2)cc1 40122473 LSVKKHWHOXCIMQ-INIZCTEOSA-N 287.403 3.627 0 40 CHAB O=C1CCCC[C@@H]1CNc1cccc(C(F)(F)F)c1 269281 MDDNGIXGPLIOOO-SNVBAGLBSA-N 271.282 3.877 0 40 CHAB O=C1N[C@H](c2ccc(Cl)cc2Cl)Oc2ccccc21 324241 GBUZCVHBZZUJAZ-AWEZNQCLSA-N 294.137 3.814 0 40 CHAB Cc1ccc(NC(=O)C(C)C(=O)Nc2ccc(C)cc2)cc1 357230 KEJQFDOCJMGSMD-UHFFFAOYSA-N 296.370 3.517 0 40 CHAB c1ccc(-c2nnc3sc(C4CCCCC4)nn23)cc1 539682 MUIBDLQIVDDRAI-UHFFFAOYSA-N 284.388 3.901 0 40 CHAB c1ccc(CC[C@@H]2OC[C@H](c3ccccc3)O2)cc1 1689226 OUIPNMRDUUKZJF-IAGOWNOFSA-N 254.329 3.733 0 40 CHAB CCCCCc1nnc(NC(=O)c2ccc(F)cc2)s1 3557734 ZXABJPXZWLMIEC-UHFFFAOYSA-N 293.367 3.662 0 40 CHAB Cc1ccc2c(C(=O)CN3C[C@H](C)C[C@@H](C)C3)c(C)[nH]c2c1 4871451 GCGMLBYPUYKAJU-ZIAGYGMSSA-N 298.430 3.945 0 40 CHAB CCc1ccc2oc(-c3cccc(N)c3C)nc2c1 5611026 JCFSWEPNRSVEGH-UHFFFAOYSA-N 252.317 3.948 0 40 CHAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1C 5748455 CHRNFXUNBCWKDC-GWCFXTLKSA-N 281.783 3.657 0 40 CHAB Cc1cc2ccccc2n1Cc1ccc(C(=O)O)cc1 6266432 ZXZQLMVHOXPYBT-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB COc1ccccc1[C@@H]1Nc2ccccc2[C@@H]2OCC[C@H]12 6955712 PVOPQJSGJBVXDW-JLSDUUJJSA-N 281.355 3.940 0 40 CHAB COc1cccc(-c2cn3nc(C(C)C)sc3n2)c1 7994987 RFPJGUGCMIKXEI-UHFFFAOYSA-N 273.361 3.590 0 40 CHAB CN1[C@H](c2ccccc2)CC(O)C[C@@H]1c1ccccc1 8616952 CVCRCZBXPUGBNK-AYHJJNSGSA-N 267.372 3.556 0 40 CHAB CCCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)S2 8715449 FRLFMKBGZJPKMS-LBPRGKRZSA-N 294.811 3.622 0 40 CHAB CCCOc1ccccc1NC(=O)c1ccoc1C 9389887 MXFRPXUBHUYUNG-UHFFFAOYSA-N 259.305 3.629 0 40 CHAB C[C@H](c1ccccc1)N(C)C(=O)NCCc1ccccc1 11760649 DFVXXMHBYVJMBW-OAHLLOKOSA-N 282.387 3.632 0 40 CHAB O=C(CC1CCCC1)NCc1cc(-c2ccccc2)on1 12235346 DIHSHQKSTXLKGR-UHFFFAOYSA-N 284.359 3.538 0 40 CHAB CC1CCC(NC(=O)c2cc3ccccc3cc2O)CC1 12846621 VCVFBWYJDTUZIV-UHFFFAOYSA-N 283.371 3.854 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 12973091 IIQQETLIAJWBIO-DOMZBBRYSA-N 282.387 3.530 0 40 CHAB Cc1cc(C(=O)O)ccc1NC(=O)CCC1CCCC1 13391159 QEYUQXYRCGZGDH-UHFFFAOYSA-N 275.348 3.602 0 40 CHAB CCC[C@@H]1C(=O)C[C@H](c2ccco2)N[C@@H]1c1ccco1 13468205 LFJPCHSRZIMWGY-HSMVNMDESA-N 273.332 3.634 0 40 CHAB Cc1ccccc1NCC(=O)Nc1ccc(Cl)cc1 15085316 XIPIIAOECYNLIL-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc(F)cc2)cc1F 18177828 IJEZPIFEBJGBBO-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB O=C(O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 19675453 GZARGZVVWXVOKP-ZDUSSCGKSA-N 264.683 3.696 0 40 CHAB Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1 20133680 NDVDOHMVEPXXSF-UHFFFAOYSA-N 274.320 3.597 0 40 CHAB Clc1ccc(-c2ccccc2Br)nn1 26420487 DJKXPDFXVPRZDU-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB COc1ccc(Oc2ccc(C=O)c(Cl)c2)cc1 26509345 JZYNFVURVANVFC-UHFFFAOYSA-N 262.692 3.953 0 40 CHAB FC(F)(F)c1cc2cccnc2nc1C(F)(F)F 30714837 MEHLMXOENZGXNR-UHFFFAOYSA-N 266.144 3.667 0 40 CHAB CCCn1nc(C)cc1NC(=O)Nc1ccccc1Cl 32647552 FSMNPPJCRDXAPS-UHFFFAOYSA-N 292.770 3.899 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3ccccc3n2)s1 32731947 QVNNLRRVQMKIAH-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCO1 32815980 PBOCICFYPWVIJD-GFCCVEGCSA-N 267.756 3.546 0 40 CHAB CC[C@@H](C)NC(=O)Nc1ccc(Br)cc1C 32862243 QLHAYYMUAZHLHE-SECBINFHSA-N 285.185 3.678 0 40 CHAB CC[C@@H](NC(=S)Nc1cccc(C)n1)c1ccccc1 33495525 SEKWCLLQVYUNJE-CQSZACIVSA-N 285.416 3.828 0 40 CHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccsc2)c(C)o1 36392045 MUQUHHFEVMBLDK-CQSZACIVSA-N 275.373 3.935 0 40 CHAB CCc1cc(C(=O)Nc2ccc(C)cc2)c2c(C)noc2n1 36621593 UWEROQSPFWWMAK-UHFFFAOYSA-N 295.342 3.654 0 40 CHAB O=C(CNc1cccc(F)c1)Nc1cc(Cl)ccc1F 39499015 XIWKRQWTOVYNEK-UHFFFAOYSA-N 296.704 3.669 0 40 CHAB Cc1cc(N2CCCC[C@@H]2C)ncc1Br 42783491 NNGIOLBJJIXEEJ-JTQLQIEISA-N 269.186 3.531 0 40 CHAB O=C(NC[C@@H]1CCCO1)Nc1ccccc1-c1ccccc1 43329089 CBBIWWLFOJAWFN-HNNXBMFYSA-N 296.370 3.654 0 40 CHAB O=C(CSCc1cccc(Cl)c1)NC1CCCC1 45973543 KTJJGXXYCNLYQJ-UHFFFAOYSA-N 283.824 3.632 0 40 CHAB CC(C)c1ccc(C(=O)CC(C)(C)CC(=O)O)cc1 61824871 UGRYPBJIMALYPL-UHFFFAOYSA-N 262.349 3.884 0 40 CHAB c1ccc(Oc2ncccc2C2=NCCCC2)cc1 72212210 RBMKKQRDNQQMGM-UHFFFAOYSA-N 252.317 3.847 0 40 CHAB c1ccc2nc(Oc3ccc(-n4cccn4)cc3)cnc2c1 77985194 FKJPGKLSCVUTBJ-UHFFFAOYSA-N 288.310 3.608 0 40 CHAB CC(C)N(C(=O)c1csc(-c2ccoc2)n1)C(C)C 78612305 VNQGLMQOWLOYSB-UHFFFAOYSA-N 278.377 3.662 0 40 CHAB Cc1cccnc1[C@@H](NC(=O)CSC(C)(C)C)C(C)C 79358135 NHOFELRZMCEZRZ-AWEZNQCLSA-N 294.464 3.735 0 40 CHAB C/C=C/C=C/C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 89597897 JAJBHYLVVFKDCP-KANVGOIPSA-N 299.399 3.515 0 40 CHAB CC(C)n1cc([C@@H](C)Nc2ccc(-n3ccnc3)cc2)cn1 95990587 NMKCBRFPJHKMRM-CQSZACIVSA-N 295.390 3.823 0 40 CHAB COC(C)(C)C[C@H](C)N[C@H](C)c1cn(C(C)(C)C)nc1C 96478579 DOJVUYFSPSVFFG-QWHCGFSZSA-N 295.471 3.801 0 40 CHAB COc1ccc(OC)c2c1[C@@H]1[C@H]3[C@H]4[C@H]5[C@@H]3[C@@]13CC=CC[C@]53[C@H]24 101048669 BYMOLZMTZMIORZ-KTUUXENYSA-N 292.378 3.727 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1cc(C)cc(C)c1 109769344 YBAQYFMJZFXFHI-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB COc1ccc(C(=O)CCc2ccc(F)cc2)cc1F 199732067 KDHTYKMWYSJJOW-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB COC(=O)c1cn(C(=O)C2CCCCC2)c2ccccc12 222613336 NQPWOKZDMXTSQY-UHFFFAOYSA-N 285.343 3.648 0 40 CHAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccccc1C 224166729 HCJBOWVCKJKPLU-OAHLLOKOSA-N 297.464 3.631 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)NCC2=CCCCC2)c1C 224429878 PRJDILXGCSAQBM-OAHLLOKOSA-N 287.403 3.687 0 40 CHAB CC1(C)CCN(C(=O)CCCc2cccs2)CCS1 279027507 AFEAAAQZAJZUKM-UHFFFAOYSA-N 297.489 3.815 0 40 CHAB C[C@@H]1CC[C@@H]1COc1ccc(C=O)cc1Br 575410963 QKIIEJQMLQHMFC-MWLCHTKSSA-N 283.165 3.687 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(F)cc1 1775995722 GGGXALDXRSFHDT-GASCZTMLSA-N 274.339 3.931 0 40 CHAB O=C(NCc1cccc2ccccc12)c1ccccc1F 36007 MNDIJXNROGQMHO-UHFFFAOYSA-N 279.314 3.909 0 40 CHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCC1 281540 STVFFSVNTBCZKM-JTQLQIEISA-N 283.824 3.879 0 40 CHAB C[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 508163 DWALGFCPTNJCMB-SNVBAGLBSA-N 299.761 3.707 0 40 CHAB Cc1nc2ccc(Br)cn2c1NC(C)(C)C 904197 FNJGDIFUFSECNH-UHFFFAOYSA-N 282.185 3.616 0 40 CHAB O=C(NC1CCCCC1)c1cccnc1Nc1ccccc1 1340519 BPGJOXWWQVMRIC-UHFFFAOYSA-N 295.386 3.888 0 40 CHAB c1ccc(OCCSCCOc2ccccc2)cc1 1675710 XZRMSBPTNNMHQE-UHFFFAOYSA-N 274.385 3.878 0 40 CHAB Cc1cc(N(CCO)Cc2ccccc2)nc2ccccc12 1708779 PZWZILNWNSHWIY-UHFFFAOYSA-N 292.382 3.542 0 40 CHAB Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc1C 2767011 ZPWHGFMTJWNXKT-CHWSQXEVSA-N 272.373 3.502 0 40 CHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)O)cc12 3186097 MZQAEMKEAJXVHD-UHFFFAOYSA-N 292.747 3.747 0 40 CHAB C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccccc1 3518116 SCWBWIJTVTXRFD-NSHDSACASA-N 275.348 3.945 0 40 CHAB Cc1c(C(C)C)c2ccccc2n1CC(=O)N1CCCC1 4687677 DACSUTDBZVNRFJ-UHFFFAOYSA-N 284.403 3.696 0 40 CHAB Cc1noc2ncnc(Oc3ccc4ccccc4c3)c12 6188477 IYZGPQXNIZLGQF-UHFFFAOYSA-N 277.283 3.872 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@H]1C 6790124 NWIMMNSYUZEOJT-DOMZBBRYSA-N 298.386 3.959 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(F)cc1 7527191 CDIHTPJENUNWDR-MFKMUULPSA-N 266.385 3.691 0 40 CHAB O=C(O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 8382148 YDDNYUJRUQYRAJ-UHFFFAOYSA-N 291.306 3.790 0 40 CHAB Cc1cc(NC(=O)N(C)[C@@H]2CCCc3ccccc32)no1 10216266 YSGIRGKNISOEQD-CQSZACIVSA-N 285.347 3.524 0 40 CHAB C[C@@H](NC(=O)Cc1ccsc1)c1cc2ccccc2o1 12692766 PMQSSNLVRMRBNI-LLVKDONJSA-N 285.368 3.914 0 40 CHAB O=C(Cc1ccccc1F)Nc1cccc2c1CCCC2 15302775 PBNRVQBRCJDSMZ-UHFFFAOYSA-N 283.346 3.886 0 40 CHAB Clc1cnc2[nH]c(-c3ccccc3Cl)nc2c1 16450560 IDPGEKWGYHNTBE-UHFFFAOYSA-N 264.115 3.932 0 40 CHAB COc1ccccc1NC(=O)c1cccc(-n2cccc2)c1 18029474 WOBHWIXVFGEQCT-UHFFFAOYSA-N 292.338 3.738 0 40 CHAB C[C@@H](CNc1cccc(-c2nnco2)c1)c1ccccc1 20187400 PMMGNVQAQADBIB-ZDUSSCGKSA-N 279.343 3.952 0 40 CHAB COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1OC(F)F 22753693 GWVIZMRTMWQTNK-JTQLQIEISA-N 297.301 3.591 0 40 CHAB CCc1cccc2sc(NCc3ccccn3)nc12 26422452 UXUGTONFAIVVTB-UHFFFAOYSA-N 269.373 3.866 0 40 CHAB Cc1cc(C)cc(NC(=O)CCC(=O)c2ccccc2)c1 26533583 LFUJKXYQHWWBNW-UHFFFAOYSA-N 281.355 3.905 0 40 CHAB Cc1ccc(Sc2ncccc2C(=O)N(C)C)c(C)c1 28619419 CTXDAFRONSNUDN-UHFFFAOYSA-N 286.400 3.551 0 40 CHAB CCCn1nccc1NC(=O)c1cc(Cl)ccc1Cl 31770568 WUVOQGLGMZOMFZ-UHFFFAOYSA-N 298.173 3.852 0 40 CHAB O=C(c1ccco1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32094323 IKFSLUTXFPGFQG-UHFFFAOYSA-N 280.327 3.566 0 40 CHAB Cc1cc(Br)c2c(F)ccc(F)c2n1 36075624 WVDMOCBEIHHACL-UHFFFAOYSA-N 258.065 3.584 0 40 CHAB C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccncc1 36674781 QAPZJFJUHDRPOO-LBPRGKRZSA-N 288.778 3.545 0 40 CHAB CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1C=O 38535006 XCZJFBMHXBJLJV-UHFFFAOYSA-N 298.338 3.528 0 40 CHAB O=Cc1ccc(OCc2ccccc2)c2ncccc12 38955592 XOKVDNABWJILQF-UHFFFAOYSA-N 263.296 3.626 0 40 CHAB Brc1ccc(CCO[C@@H]2CCCCO2)cc1 39592906 HGKHQEVNPHCQCH-CYBMUJFWSA-N 285.181 3.535 0 40 CHAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(F)c1 41039538 AMPKLIACPHOENE-CHWSQXEVSA-N 278.371 3.555 0 40 CHAB O=C(c1ccccc1CN1CC=CC1)C1CCCCC1 43211841 YGKJVUCBHDGABF-UHFFFAOYSA-N 269.388 3.821 0 40 CHAB c1ccc2sc(SC[C@H]3CCCCN3)nc2c1 43495212 DECPXOQQKFMPGP-SNVBAGLBSA-N 264.419 3.531 0 40 CHAB COCc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C 46033213 YKSGVQNFCPBWIP-JSGCOSHPSA-N 276.380 3.533 0 40 CHAB CC(C)Sc1ccc(C(=O)Nc2ncccc2O)cc1 48268732 BNSIEDIKJAXMRZ-UHFFFAOYSA-N 288.372 3.540 0 40 CHAB CCCc1cnc(C)nc1-c1c(F)cccc1OC 71278812 KLSQJKRSVDNMJP-UHFFFAOYSA-N 260.312 3.552 0 40 CHAB Cc1cc2c(nc1C)oc1c(NCc3ccco3)ncnc12 71280503 TXROSZANFMMDQV-UHFFFAOYSA-N 294.314 3.593 0 40 CHAB CC(C)Nc1ncc(-c2ccco2)c(-c2ccco2)n1 72396567 JJRQXGLUXCGVST-UHFFFAOYSA-N 269.304 3.817 0 40 CHAB FC(F)(F)c1ccc(-c2nc3ncccc3o2)cc1 74327636 JOBLVDFYZYTFSS-UHFFFAOYSA-N 264.206 3.909 0 40 CHAB CN(C(=O)c1cscn1)c1cc(Cl)cc(Cl)c1 79094225 VKDDZPMSDYZTIW-UHFFFAOYSA-N 287.171 3.727 0 40 CHAB COc1cccc(CN[C@H](C)[C@H](C)c2ccccc2)c1OC 80247744 RRJJZCOOJGQJRE-LSDHHAIUSA-N 299.414 3.986 0 40 CHAB Cc1nc2ccc(NC(=O)N3CCCCCCC3)cc2o1 84290343 GVEKXGWGOCYLCY-UHFFFAOYSA-N 287.363 3.934 0 40 CHAB Cc1cccc(CN[C@@H]2CCSc3ccc(F)cc32)n1 95420617 YKPCQICAMBOADA-OAHLLOKOSA-N 288.391 3.856 0 40 CHAB C[C@@H](c1ccccc1)N1CC[C@H]1C(=O)OCc1ccccc1 95864384 CANYIAQWEWELJV-YJBOKZPZSA-N 295.382 3.565 0 40 CHAB CCOCCC1(CNC(=O)Nc2ccccc2F)CCC1 96476685 QVYQSSJLVJRUTM-UHFFFAOYSA-N 294.370 3.544 0 40 CHAB Cc1nnc([C@@H](C)SC[C@@H](C)c2ccccc2)o1 96496187 FARNOLHADMSNEK-GHMZBOCLSA-N 262.378 3.976 0 40 CHAB N=c1c2ccccc2[nH]c(=S)n1-c1ccc(Cl)cc1 100913486 ZQICQJPYDAPXJJ-UHFFFAOYSA-N 287.775 3.821 0 40 CHAB C[C@]12CC3(Br)CC(C(=O)O)(C1)C[C@](C)(C3)C2 101363460 DETOHPFJIVGWJO-OKZRHMCRSA-N 287.197 3.585 0 40 CHAB O=C(Nc1ccc(F)cc1F)C1CCC(F)(F)CC1 121913309 PQKHCJOCOIVXKK-UHFFFAOYSA-N 275.245 3.729 0 40 CHAB CCOc1ccc(C)cc1NC(=O)c1cccc(N)c1C 216877108 LWKXNJRJGFHPOG-UHFFFAOYSA-N 284.359 3.537 0 40 CHAB CCCCNCc1cccn1[C@H](C)c1ccccc1 223691220 XRNDRWKQYDDWST-OAHLLOKOSA-N 256.393 3.987 0 40 CHAB Cc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1C 223967483 XRQWFPKAMFNNCV-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB Cc1cnc(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)o1 331945092 MRHIYJPJLLAHFU-AWEZNQCLSA-N 284.359 3.526 0 40 CHAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 1589781 NQBTWEFKQQCACE-PJXZTAOXSA-N 264.324 3.614 0 40 CHAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(F)cc1F 2514922 ONBQJKWWRSCXMY-UHFFFAOYSA-N 299.320 3.568 0 40 CHAB COc1ccc(CC(=O)Nc2ccccc2C(C)C)cc1 2737829 ZRGQRKGZQOBDQB-UHFFFAOYSA-N 283.371 4.000 0 40 CHAB Cc1ccc(C)c(NC(=O)CN2c3ccccc3C[C@@H]2C)c1 3536958 UTANRWVCMHGBCU-HNNXBMFYSA-N 294.398 3.693 0 40 CHAB CCOc1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 4079334 KKDACOLCGKQLCN-UHFFFAOYSA-N 298.342 3.932 0 40 CHAB Cc1ccc(N2C(=O)S/C(=C/c3cccn3C)C2=O)cc1 5552659 QARMBNUCBWTBIQ-GXDHUFHOSA-N 298.367 3.574 0 40 CHAB O=C(Sc1nc2ccccc2[nH]1)c1ccc(F)cc1 5615242 UZRZWWBAKFZDRZ-UHFFFAOYSA-N 272.304 3.635 0 40 CHAB C[C@@H](NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 7787064 QKVNOUSNAYVUGB-GFCCVEGCSA-N 288.778 3.900 0 40 CHAB CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 7796180 YZZYFCAVOPEFII-UHFFFAOYSA-N 260.362 3.694 0 40 CHAB C[C@H](NC(=O)Cc1cccc(F)c1)c1cc2ccccc2o1 8238886 HYBMSVTUCWGHIE-LBPRGKRZSA-N 297.329 3.992 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)NCCc1cccc(Cl)c1 9868452 RJNWKCZGDGKVTB-IUODEOHRSA-N 294.826 3.760 0 40 CHAB CCOC(=O)[C@H]1CC[C@H]2Nc3c(Cl)cccc3[C@@H]2C1 12336675 ILKXXVKIHTZAIS-XHVZSJERSA-N 279.767 3.581 0 40 CHAB C/C=C/C=C/C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 12519967 VVVMRGJTADFZJH-FUZXSYEZSA-N 295.386 3.834 0 40 CHAB CCCCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 13329015 UZGCGQUNBZCMNC-ZDUSSCGKSA-N 268.788 3.890 0 40 CHAB CC(C)(C)SCC(=O)Nc1ccc2c(c1)CCC2 14665018 QJJZYICHLJSZKK-UHFFFAOYSA-N 263.406 3.646 0 40 CHAB Cc1ccc([C@H]2CC(c3ccccc3)=NN2C)cc1 16923720 LGGKWBLAJGNGQP-QGZVFWFLSA-N 250.345 3.776 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1OC 20462075 HJMISOJFTUQBSG-ZDUSSCGKSA-N 299.370 3.664 0 40 CHAB OC1=Nc2n[nH]cc2[C@H](c2cccc3ccccc23)SC1 20722351 RVAVNGMBYNWAHK-HNNXBMFYSA-N 295.367 3.987 0 40 CHAB C[C@]12CCC3=C(CCc4cc(O)ccc43)[C@@H]1CC[C@@H]2O 22055518 UWYDUSMQFLTKBQ-BZSNNMDCSA-N 270.372 3.663 0 40 CHAB in-vitro Cc1ccccc1-c1nc(Cl)n(-c2ccccc2)n1 22125196 INBOHITWCBHMEV-UHFFFAOYSA-N 269.735 3.896 0 40 CHAB Cc1cc(C(=O)Nc2ccc(Cl)cn2)c2ccccc2n1 25869036 WKYFRXPPZGLVMP-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB Cc1nc(/C=C/C(=O)N(C)[C@@H]2CCc3ccccc32)cs1 27826230 SDUZSMNLNNGGGB-XAVKZTDYSA-N 298.411 3.611 0 40 CHAB O=C(CNc1ccccc1)c1ccc(Br)cc1 28294671 OFFZRRMRSKGZBV-UHFFFAOYSA-N 290.160 3.744 0 40 CHAB C[C@@H](NC(=O)c1ccc2ccccc2c1O)c1ccco1 32739477 IDOSGANLBLUAEW-LLVKDONJSA-N 281.311 3.629 0 40 CHAB C[C@@H](CC(=O)N1CCn2cccc2[C@@H]1C)c1ccccc1 32753021 WILUHJAHOAKCQN-GJZGRUSLSA-N 282.387 3.585 0 40 CHAB CC1CCC(NC(=O)c2cc(Cl)ccc2F)CC1 32768223 JCBFSVIOROYRCW-UHFFFAOYSA-N 269.747 3.788 0 40 CHAB CC(C)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 33325931 WGXZDKMSCHBHIV-LBPRGKRZSA-N 274.389 3.616 0 40 CHAB CCCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 35576749 YARKSZQSDLYPST-GOSISDBHSA-N 269.388 3.979 0 40 CHAB CC(C)(C)C(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 36366889 IZZJMFGSNCDXDB-UHFFFAOYSA-N 285.269 3.566 0 40 CHAB CSCc1nnc(SC/C=C/c2ccccc2)o1 40023665 DAJLWCFKGOTIRO-VMPITWQZSA-N 278.402 3.738 0 40 CHAB C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(C(C)(C)C)cc1 40108703 QWVGDYVMXLWVMY-CZUORRHYSA-N 289.419 3.730 0 40 CHAB Cc1ccc(OCCCCNC(=O)c2cccs2)cc1 40122468 IAVCVFFMDSMUKW-UHFFFAOYSA-N 289.400 3.646 0 40 CHAB c1ccc2c(c1)OCC[C@H]2Nc1cnc2ccccc2n1 41872938 WSKKXANOVDCZCR-CYBMUJFWSA-N 277.327 3.566 0 40 CHAB Cc1occc1C(=O)N1CCC[C@@H]1c1ccccc1 42010481 XGHZZLZABLDHKN-OAHLLOKOSA-N 255.317 3.565 0 40 CHAB CS[C@@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 42940651 FNRZMELWRPKLNA-GXFFZTMASA-N 283.462 3.847 0 40 CHAB O=C(Nc1ccc(F)cc1)N[C@H]1CCc2ccccc21 44845349 FGAFQXCXVJVOIN-HNNXBMFYSA-N 270.307 3.635 0 40 CHAB Cc1ccsc1C(=O)N1CCCc2cc(F)c(F)cc21 46222620 RGBJDZNHWITQNC-UHFFFAOYSA-N 293.338 3.928 0 40 CHAB Cc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1C 58357142 DAWZQUGJEJJYPS-UHFFFAOYSA-N 295.386 3.895 0 40 CHAB COc1ccccc1NC(=O)NC1(c2ccccc2)CCC1 58453060 PBSJLZLESIAZOS-UHFFFAOYSA-N 296.370 3.896 0 40 CHAB CC(C)OCCSc1nnc(-c2ccccc2Cl)o1 69558425 DBFUZIUDXWBFMM-UHFFFAOYSA-N 298.795 3.907 0 40 CHAB CCOC(=O)[C@@H](CC)Oc1ccc(Cl)c(Cl)c1 70250308 PKOOMZHJBFIUBX-LLVKDONJSA-N 277.147 3.714 0 40 CHAB in-vitro O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H]1c1ccncc1 84490474 XTSLBIOIUIBAOH-KRWDZBQOSA-N 291.354 3.540 0 40 CHAB CCO[C@H](C)c1noc(C2(c3ccccc3)CCC2)n1 89984961 JDKUGHAGEUJWTG-GFCCVEGCSA-N 272.348 3.637 0 40 CHAB CN1O[C@H](c2ccc(Cl)cc2)C[C@@]1(C)c1cccnc1 90487508 DHTJFQWHCVTNRY-HOTGVXAUSA-N 288.778 3.959 0 40 CHAB in-vitro CCc1onc(C)c1NC(=O)Nc1cc(Cl)ccc1F 95942391 ASRPFTZRFHAMOO-UHFFFAOYSA-N 297.717 3.982 0 40 CHAB CCOc1ccccc1C(=O)NC[C@@H](SC)C(C)(C)C 96009729 OGFGLTOCOODWNT-CQSZACIVSA-N 295.448 3.593 0 40 CHAB CN[C@H](C)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100386855 TYGZLRGXVVMQMY-PGDPNYEUSA-N 286.257 3.718 0 40 CHAB Cc1ccc(CC(=O)NCCCc2ccccc2)cc1C 218805242 NCORVRRFBDDDPD-UHFFFAOYSA-N 281.399 3.595 0 40 CHAB Cc1cccc(C(=O)NCCOc2ccccc2C(C)C)c1 223748018 IDLYPSRRSMIBID-UHFFFAOYSA-N 297.398 3.927 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2)cc1COC(C)C 224423022 NIUVIWRYPAAWHY-UHFFFAOYSA-N 299.370 3.873 0 40 CHAB CCC(CC)(CC)SCC(=O)Nc1c(C)nn(C)c1C 225465041 UBTGPIXSENBZOT-UHFFFAOYSA-N 297.468 3.677 0 40 CHAB O=C(O)c1cc(-c2cccc(-c3ccccc3)c2)on1 258352620 FJROCHGHOQMZMH-UHFFFAOYSA-N 265.268 3.707 0 40 CHAB CC1=CC(C)(C)N([C@H](C)C(=O)O)c2cc(C)c(C)cc21 260619547 NSLDEQPCOZREPH-CYBMUJFWSA-N 273.376 3.778 0 40 CHAB C[C@]12CC[C@@H]3C(=CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 263606034 QKVSSSWYCZWEQM-AYTJEOJGSA-N 286.415 3.799 0 40 CHAB CCSc1nc2ccsc2c(=O)n1CCC(C)C 1888982178 DLNWKLCBNWVHSG-UHFFFAOYSA-N 282.434 3.616 0 40 CHAB Cc1ccc(OCC(=O)Oc2ccccc2Cl)cc1 142852 IPKBUDRAPPJESP-UHFFFAOYSA-N 276.719 3.633 0 40 CHAB Cc1sc(-c2ccccn2)nc1OC(=O)c1ccccc1 3116640 WHYVJLITFJEDOU-UHFFFAOYSA-N 296.351 3.733 0 40 CHAB O=C(O)C[C@@H]1c2ccccc2CC[C@@H]1c1ccccc1 1599938 QQAZKBDPNZVXTH-IAGOWNOFSA-N 266.340 3.975 0 40 CHAB O=C1CCCC[C@@H]1[C@@H](O)c1c(Cl)cccc1Cl 1567503 FZYIXDFVZCYBSS-ISVAXAHUSA-N 273.159 3.786 0 40 CHAB CCOC(=O)c1ccc2c(c1)NCc1cccc(OC)c1O2 1585729 ZKMRNPBEBOXDCJ-UHFFFAOYSA-N 299.326 3.590 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 4073949 QGXBDMJGAMFCBF-DBQFFBIKSA-N 290.447 3.959 0 40 CHAB CCN(CC)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 12591103 LAVZOOOPKDQHST-AWEZNQCLSA-N 272.392 3.828 0 40 CHAB COP(=O)(Oc1ccccc1)Oc1ccccc1 1626905 VOWPVJACXJNHBC-UHFFFAOYSA-N 264.217 3.899 0 40 CHAB FC(F)Sc1ccc(NC(=S)N2CCCC2)cc1 3257042 FMPFLHAYNCOMRU-UHFFFAOYSA-N 288.388 3.794 0 40 CHAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CCC2=O 118933319 GATQSSNSIBFJTG-KUPDVBAFSA-N 290.447 3.959 0 40 CHAB Cc1ccccc1OCCC(=O)NC[C@@H](C)c1ccccc1 36396157 CQGJKEAFMVBLSE-MRXNPFEDSA-N 297.398 3.684 0 40 CHAB C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccccc1Cl 95389743 PVWOAYIOLDHXGL-QWHCGFSZSA-N 295.810 3.676 0 40 CHAB CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2F)s1 48332050 HCAAHXKBLIGNTH-SECBINFHSA-N 291.347 3.581 0 40 CHAB CC(C)Oc1ccc(NC(=O)c2ccsc2)cc1 48314773 YFOOMLFCONPKHN-UHFFFAOYSA-N 261.346 3.788 0 40 CHAB CCC[C@H]1CCCN(C(=O)Nc2cccnc2OC)CC1 60975357 DIVSKZLFZUJHJC-ZDUSSCGKSA-N 291.395 3.524 0 40 CHAB CCCSCC(=O)c1cccc(Br)c1 37353426 RXUSNNURBIDQSV-UHFFFAOYSA-N 273.195 3.775 0 40 CHAB CCc1ccc(Cc2cnc(NC(=O)C3CC3)s2)cc1 5001102 SOYJEPQYJUSICF-UHFFFAOYSA-N 286.400 3.645 0 40 CHAB CCOCCCNCc1ccc(Cl)cc1Cl 4688967 WEIHRESVMFZNGH-UHFFFAOYSA-N 262.180 3.510 0 40 CHAB Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl 15442843 AOUSVJASECBRMF-UHFFFAOYSA-N 269.735 3.775 0 40 CHAB Cc1ccoc1C(=O)Nc1ccc(N2CCCCC2)cc1 15497603 UCLQPCOYCHADBP-UHFFFAOYSA-N 284.359 3.831 0 40 CHAB COc1ccc(NC(=O)[C@H](C)Nc2cc(C)ccc2C)cc1 7460163 BBWPGIPOVMBNHG-AWEZNQCLSA-N 298.386 3.751 0 40 CHAB CCCNc1nc(-c2ccc(NC(C)=O)cc2F)cs1 8225483 ANZKKRKKRUCVCU-UHFFFAOYSA-N 293.367 3.730 0 40 CHAB COc1ccc(C)cc1CCNC(=O)Nc1ccc(C)cc1 17742652 XUHKODLKTOKMNI-UHFFFAOYSA-N 298.386 3.676 0 40 CHAB COc1ccc(-c2noc([C@H]3C[C@H]3c3ccco3)n2)cc1 83952336 RBDFKNOUOUCXQU-OLZOCXBDSA-N 282.299 3.609 0 40 CHAB CC(=O)Nc1ccc(C)c(N[C@@H](C)CC2CCOCC2)c1 97095358 WHBOCXBRJZTQEN-ZDUSSCGKSA-N 290.407 3.571 0 40 CHAB CNc1ncccc1[C@H]1CCCCN1Cc1ccccc1 72212563 GQXHOCPFAXPEFT-QGZVFWFLSA-N 281.403 3.851 0 40 CHAB CCCCCNC(=O)Nc1ccc(C)cc1Cl 32862274 HHJITPCBVXDHSL-UHFFFAOYSA-N 254.761 3.960 0 40 CHAB COc1ccc(C(=O)c2ccc(C)c(Cl)c2)cc1OC 63021141 RYYSVGYYEKHVJI-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB CC(C)n1c(CCCC(=O)O)nc2cccc(Cl)c21 37443441 UIGZCFOCYKUXBI-UHFFFAOYSA-N 280.755 3.678 0 40 CHAB Cc1c([C@H]2OC(=O)c3ccccc32)c2ccccc2n1C 33867933 WGKBOZPFMZYQRK-KRWDZBQOSA-N 277.323 3.747 0 40 CHAB Cc1ccc(-c2noc(C3CCCCC3)n2)cc1N 225174275 ZSMYSZSFOIWBGY-UHFFFAOYSA-N 257.337 3.675 0 40 CHAB COc1ccc(CCC(=O)NCC2=CCCCC2)cc1C 225099255 JRKIPHXFZUREOZ-UHFFFAOYSA-N 287.403 3.553 0 40 CHAB Cn1ccc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc21 49543652 DCLDVFNDNZEIEW-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic COc1cccc(NC(=O)c2conc2-c2ccccc2)c1 225871453 YYCXQHKCQOAGGJ-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB Cc1ccc(O[C@H](Cc2ccccc2C)C(=O)O)cc1C 225016122 XDPITFWKZFBEAH-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CCCCOc1c(C)cc(NC(=O)C(C)(C)OC)cc1C 225600351 GDIPTVXCLNHTIO-UHFFFAOYSA-N 293.407 3.846 0 40 CHAB COc1cccc([C@@H](C)Sc2nncn2C(C)(C)C)c1 83596984 IXGLUKFRCOJPFR-LLVKDONJSA-N 291.420 3.895 0 40 CHAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224663230 ALHCUVYTJBZMCL-UHFFFAOYSA-N 295.791 3.555 0 40 CHAB CCCO[C@](C)(C(=O)Nc1ccc(OC)c(C)c1)C1CC1 225673222 TYGLWJPZERYXAV-KRWDZBQOSA-N 291.391 3.537 0 40 CHAB CCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCC1 225706020 JFBPBECTUQKCDR-UHFFFAOYSA-N 291.391 3.762 0 40 CHAB Cc1cccc(NC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1 98013104 LELDGGZQJHPZIH-MRXNPFEDSA-N 298.430 3.754 0 40 CHAB Cc1c(NC=O)ccc(-c2ccc(NC=O)c(C)c2C)c1C 255187152 BNWWKKDPXNONPX-UHFFFAOYSA-N 296.370 3.724 0 40 CHAB Fc1cccc(CNc2cnn(C3CCCC3)c2)c1 256051841 KRYPKQDMTXHFSH-UHFFFAOYSA-N 259.328 3.749 0 40 CHAB CCn1cc(CNCc2ccc(F)s2)c(C(C)C)n1 256049525 AIBLNYCHTMMMJY-UHFFFAOYSA-N 281.400 3.517 0 40 CHAB O=C(NCc1cncc(C2CC2)c1)c1ccccc1Cl 575606887 UYMMJGGTIWWDKT-UHFFFAOYSA-N 286.762 3.542 0 40 CHAB Cn1ncc(C2CC2)c1/C=C/c1nc2ccccc2o1 585091693 VKHPNYJLWRALMB-CMDGGOBGSA-N 265.316 3.609 0 40 CHAB Cc1cccc(/C=C2\N=C(c3ccccc3C)OC2=O)c1 176729 FEIPNZNEHSGSHJ-WJDWOHSUSA-N 277.323 3.648 0 40 CHAB CCN(CC)CCC[C@@H](C)N[C@H](C)CCCN(CC)CC 5368446 NYHWSIBMLLCFQE-QZTJIDSGSA-N 299.547 3.597 0 40 CHAB CCCCOCN(C(C)=O)c1c(CC)cccc1CC 5821465 OETFRALKFSSGAD-UHFFFAOYSA-N 277.408 3.939 0 40 CHAB CC(C)Oc1cccc(NC(=O)C2CCCCC2)c1 13716944 WISGLJXOHUCOPS-UHFFFAOYSA-N 261.365 3.993 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(OC)c1 14022559 DVJCPKKYLQNIQT-QGZVFWFLSA-N 299.370 3.800 0 40 CHAB C/C=C/C=C/C(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 17008023 VLVHZTLEUSYGOP-DKHWSBQMSA-N 278.735 3.587 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)s1 18839773 HZNAJFHMNHVEJS-UHFFFAOYSA-N 286.400 3.909 0 40 CHAB Cc1c(N)cccc1NC(=O)c1ccc(OCC(C)C)cc1 19736315 CTFMYOIKDYRDLR-UHFFFAOYSA-N 298.386 3.864 0 40 CHAB Cc1cccc(C)c1NC(=O)COc1ccccc1Cl 3602918 ONQFFYCJHNVGFZ-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB Cc1cccc(OCCNc2nc3ccccc3o2)c1 24969613 FCYUDFMNGLUOES-UHFFFAOYSA-N 268.316 3.627 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2)c1C 31663041 FOSRXVZOCVEKIR-AWEZNQCLSA-N 269.344 3.709 0 40 CHAB COCc1cc(Cl)nc(-c2ccc(Cl)cc2)n1 164159 ZRAKXYRMIAPBMF-UHFFFAOYSA-N 269.131 3.597 0 40 CHAB CC[C@@H](C)[C@@H](NC(=O)C1CCC1)c1nc2ccccc2[nH]1 40146162 GBUOVPSOJMUCFN-IAQYHMDHSA-N 285.391 3.566 0 40 CHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1 178716 IYOKSZDPCVQRAS-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB Cc1nc2ccc(NC(=O)c3ccccc3C)cc2o1 172217 BWFHREPFOXMLTH-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CCCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 349559 NZBCVWZSYWKXPD-UHFFFAOYSA-N 278.355 3.647 0 40 CHAB Cc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1 49968 KPNLOWYMOUPVQW-WJDWOHSUSA-N 277.323 3.648 0 40 CHAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(F)c1 253602 SSYBXMUPBHEQOG-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB COc1ccc(CNCc2ccccc2Cl)cc1 300153 SDOUSMKUUPQSOF-UHFFFAOYSA-N 261.752 3.638 0 40 CHAB Cc1cccc(OC(=O)COc2ccc(Cl)cc2)c1C 363984 ICNVOMISUYLBAC-UHFFFAOYSA-N 290.746 3.941 0 40 CHAB CC(C)CCN1CCCO[P@]1(=O)Nc1ccccc1 1277780 QMWNLOUBANOESX-LJQANCHMSA-N 282.324 3.975 0 40 CHAB CCCCN(CCCC)C(=N)c1ccc(OC)c(OC)c1 1583662 UYQJPPYFYFODDR-UHFFFAOYSA-N 292.423 3.931 0 40 CHAB FC(F)(F)c1ccc(Cl)c(NC2=NCCS2)c1 1673991 MHJKUGMXMXGUNB-UHFFFAOYSA-N 280.702 3.874 0 40 CHAB Cc1c([C@@H]2OC(=O)c3ccccc32)n(C)c2ccccc12 1683970 NTQQWNSXWGMDPW-QGZVFWFLSA-N 277.323 3.747 0 40 CHAB CC(=O)c1cccc(OC(=O)Oc2cccc(C(C)=O)c2)c1 1701236 CWPPQUGMQRWFTE-UHFFFAOYSA-N 298.294 3.670 0 40 CHAB O=C(O)COc1c(Cl)c(Cl)cc(Cl)c1Cl 1867035 AWCFSYBBTGBTEX-UHFFFAOYSA-N 289.929 3.764 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccc(C)cc1 2378886 VUXXBNAAJIMSMH-UHFFFAOYSA-N 262.349 3.691 0 40 CHAB C[C@H](NC(=O)c1ccco1)c1ccc2c(c1)CCCC2 4656399 ONGCVDMSRPAXDP-LBPRGKRZSA-N 269.344 3.649 0 40 CHAB CC(C)CCC[C@H](C)NC(=O)c1ccccc1F 4851405 OBFQLIQDSDCAQR-LBPRGKRZSA-N 251.345 3.770 0 40 CHAB Cc1ccccc1CNC(=O)c1cc2ccccc2o1 5089794 ZUKICXOTJLOGOW-UHFFFAOYSA-N 265.312 3.671 0 40 CHAB Cc1nc2ccc(C(=O)N(C(C)C)C(C)C)cc2s1 6452376 FUXBKHVZWAKQQX-UHFFFAOYSA-N 276.405 3.864 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CC=CCC1 7264057 ISJTXURYVWWHTO-HOCLYGCPSA-N 255.361 3.537 0 40 CHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 7718725 ZWIWFPRJZBDBKT-CQSZACIVSA-N 297.354 3.604 0 40 CHAB CCCCCCSc1nc2c3ccccc3ncn2n1 8394350 SDRQBYJKNDEHBU-UHFFFAOYSA-N 286.404 3.950 0 40 CHAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(N)=O)(C4)C2)C3)cc1C 12462195 MQMWSIJSBQBGJG-MYMYQCDVSA-N 283.415 3.627 0 40 CHAB CC[C@H]1CCCCN1C(=O)Nc1ccc(C)c(F)c1 13320542 HTZOMWNIXNSFJW-ZDUSSCGKSA-N 264.344 3.931 0 40 CHAB COc1ccccc1NC(=S)Nc1ccc(F)cc1 13786382 FAUDHVHVWQLZPD-UHFFFAOYSA-N 276.336 3.643 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)cc1 16292048 LFADNAVJEXNBSU-UHFFFAOYSA-N 283.356 3.786 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H](C(F)(F)F)C1 18173609 ZBJWLTNDOOQPBS-SECBINFHSA-N 290.260 3.632 0 40 CHAB Cc1c(N)cccc1NC(=O)COc1ccc(C(C)C)cc1 19736251 IXWVLDMILHKUFX-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB CC[C@H](N)c1cc(C(F)(F)F)ccc1Br 19971860 LBEHEZIHAOWKOM-VIFPVBQESA-N 282.103 3.878 0 40 CHAB O=C(CC1CCCCC1)NCC[C@H]1CNc2ccccc21 20251983 CIGSMOOGHGLFOE-HNNXBMFYSA-N 286.419 3.672 0 40 CHAB in-vitro CC(C)(C)OC(=O)n1cc([C@H]2CCCN2)c2ccccc21 22015028 SEAWAAMMZNLDCH-CQSZACIVSA-N 286.375 3.849 0 40 CHAB COc1cccc2cc([C@H](C)NC(=O)[C@@H]3CC=CCC3)oc12 25138919 VUIYLGNYLFSWLZ-QWHCGFSZSA-N 299.370 3.975 0 40 CHAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 27580808 RUCNTXPNZUNLQT-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB O=C(NCCC1=CCCCC1)c1cn[nH]c1-c1ccccc1 28927173 LQMDXDGRVONSKN-UHFFFAOYSA-N 295.386 3.697 0 40 CHAB CN(C)c1cc(-c2ccc(Cl)cc2Cl)ncn1 32581055 YJFDRALSGFZRQT-UHFFFAOYSA-N 268.147 3.516 0 40 CHAB Cc1nc(NC(=O)c2sc(C(C)C)nc2C)sc1C 32924141 IYCZFTYLEHEHGW-UHFFFAOYSA-N 295.433 3.901 0 40 CHAB Cc1ccc(NC(=O)N(C)Cc2ccc(O)cc2)cc1F 48325061 QRUQOCRGKIZZEH-UHFFFAOYSA-N 288.322 3.504 0 40 CHAB Cc1nc(SCC(=O)C(C)(C)C)n(CC(C)C)c1C 57681358 IYEACVFJQZYZGL-UHFFFAOYSA-N 282.453 3.863 0 40 CHAB Cc1noc(C)c1CCC(=O)N[C@@H](CC(C)C)C(C)(C)C 71915249 XVUACPSKNVRXBF-HNNXBMFYSA-N 294.439 3.801 0 40 CHAB Cc1cccc([C@@H]2CCCN2Cc2ccccc2)n1 72211067 POHOSRLWZRWRET-KRWDZBQOSA-N 252.361 3.727 0 40 CHAB CCCCOc1cc(C(=O)O)cc2sccc12 72228330 GQIJUMHELNXNLR-UHFFFAOYSA-N 250.319 3.778 0 40 CHAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccsc2)C1 72403446 OOSQJSVMRYLVHH-GFCCVEGCSA-N 299.355 3.710 0 40 CHAB C[C@H](Cc1nc2ccccc2s1)S[C@H](C)[C@@H](C)O 83597304 PDVVQDIJQNEKQB-GMTAPVOTSA-N 281.446 3.730 0 40 CHAB C[C@H](CNC(=O)[C@H]1C[C@@H]1C)c1c(Cl)cccc1Cl 84686721 BSUAPJCFMNZSGE-AEJSXWLSSA-N 286.202 3.869 0 40 CHAB Cc1ccsc1[C@H](C)N[C@H]1CCO[C@]2(CCSC2)C1 90542808 AALXTSRXEOVSJP-KCQAQPDRSA-N 297.489 3.762 0 40 CHAB CCOC(=O)c1csc(Oc2cccc(Cl)c2)n1 91695796 FATIOKHMRGKQDL-UHFFFAOYSA-N 283.736 3.766 0 40 CHAB CC(=O)Nc1cc(NCc2nc(C)cs2)ccc1Cl 95447303 UBNZKROKANQJAH-UHFFFAOYSA-N 295.795 3.675 0 40 CHAB CCn1cc/c(=N/c2ccc(N(C)C)cc2)c2ccccc21 95851240 RCSVDCBTVSJBPQ-ZZEZOPTASA-N 291.398 3.960 0 40 CHAB C[C@H](NCC[S@](=O)C(C)(C)C)c1cc2ccccc2o1 95968129 GWPVQKBLQIGYOR-FKIZINRSSA-N 293.432 3.631 0 40 CHAB C[C@@H](c1cccnc1)N(C)Cc1cnc2ccsc2c1 97113723 ZDDHQSQTNCMJNG-LBPRGKRZSA-N 283.400 3.884 0 40 CHAB COc1ccc(C(=O)O)cc1CSc1ccccc1 131936867 APAFCOZMNRTQEX-UHFFFAOYSA-N 274.341 3.686 0 40 CHAB FC(F)(F)c1cc(-c2ccccc2)nc2nc[nH]c12 198558356 DCFIZOFXKSWHQC-UHFFFAOYSA-N 263.222 3.644 0 40 CHAB CCCCOc1ccccc1[C@@H](C)NC[C@H]1CCCO1 225162096 HIVCPSLTVHCDSA-HUUCEWRRSA-N 277.408 3.695 0 40 CHAB COc1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1OC 225639381 LSNXHHNSBKNOHQ-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB O=C(NCc1cccnc1-c1cccs1)[C@H]1CC=CCC1 225760053 FZMIPZBXTIHRSB-ZDUSSCGKSA-N 298.411 3.783 0 40 CHAB C[C@]12CC[C@H](N)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 253500987 WMEBIWWUBWHAOJ-RYNUQQTHSA-N 291.479 3.717 0 40 CHAB c1ccc([C@@H]2[C@@H](NC[C@H]3CCOC3)[C@@H]3CCCC[C@H]32)cc1 257207201 BGTSCRBVFFYYHM-DBDQLMEASA-N 285.431 3.585 0 40 CHAB COc1c(Br)ccc(F)c1C(F)F 575628913 GFDBWRHSUJXOBR-UHFFFAOYSA-N 255.033 3.534 0 40 CHAB FC(F)(F)c1cc(N2[C@H]3CC[C@H]2CC(=C2CC2)C3)ncn1 1776009432 LEGOCNKRQDGTTB-RYUDHWBXSA-N 295.308 3.717 0 40 CHAB Cc1ccc2c(c1)CCCN2c1nc(Cl)nc(Cl)n1 152533 KICJSLSGWIDGQU-UHFFFAOYSA-N 295.173 3.571 0 40 CHAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 381797 AQZSJJAVFVNFAH-ZDUSSCGKSA-N 276.339 3.726 0 40 CHAB C[C@H]1Cc2c(ccc3c(-c4ccccc4)cc(=O)oc23)O1 384868 GRTXOXUWEVXLFM-NSHDSACASA-N 278.307 3.783 0 40 CHAB Cc1ccc(OCc2nc(-c3cccc(C)c3)no2)cc1 496761 MMZSHFHDZADPPT-UHFFFAOYSA-N 280.327 3.932 0 40 CHAB CN(C)c1n[nH]cc1-c1ccc(Oc2ccccc2)cc1 1389201 GKEUVTBXLXQNCU-UHFFFAOYSA-N 279.343 3.935 0 40 CHAB Cc1cccc(C)c1-n1c(S)nnc1-c1ccccc1F 2741000 VWSLAVGVYGBTGR-UHFFFAOYSA-N 299.374 3.979 0 40 CHAB CCCCC[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1 3190664 PKPCJUJOFNWTAA-JWAFFJSPSA-N 275.392 3.793 0 40 CHAB CC[C@H]1CCCCN1C(=O)CSC1CCCCC1 3257933 SHTILZXRCGQERA-ZDUSSCGKSA-N 269.454 3.843 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(F)cc1F 3334633 JFGXJIRGWCRNDX-MRXNPFEDSA-N 287.309 3.772 0 40 CHAB O=C(CC1CCCC1)Nc1nc2ccc(F)cc2s1 3538497 ZNLXTWFNLNDUBP-UHFFFAOYSA-N 278.352 3.954 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)C=C2C(=O)Oc1ccccc1 3846343 FIFOOLNKMDNDOS-WMLDXEAASA-N 256.345 3.975 0 40 CHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)on2)cc1 4060129 WHPVSRMCTGJXSY-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB Cc1ccccc1NC(=O)[C@H](NC1CCCCC1)C(C)C 5000441 PYVGUUWPKLATOD-QGZVFWFLSA-N 288.435 3.880 0 40 CHAB O=C(COc1ccccc1F)c1c[nH]c2ccccc12 5014792 QPOXEIOVULSPPS-UHFFFAOYSA-N 269.275 3.569 0 40 CHAB COCc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 5279050 TYIMXNRGFVZIGZ-SFHVURJKSA-N 295.382 3.640 0 40 CHAB Cc1c(Cl)cccc1NC1=NCC(C)(C)S1 5532665 UQOMXQCVYALOCC-UHFFFAOYSA-N 254.786 3.942 0 40 CHAB Cc1ccc(NCC(=O)Nc2cccc(F)c2)c(Cl)c1 5938956 PAMQZICWCKRKNG-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB O=C(OCc1coc(-c2cccs2)n1)c1cccs1 7533459 CAGHDUUMTSBESG-UHFFFAOYSA-N 291.353 3.822 0 40 CHAB O=C(Nc1ccccc1F)c1cccc(-n2cccc2)c1 8710951 DBWBTLJNAJRUEX-UHFFFAOYSA-N 280.302 3.869 0 40 CHAB Cc1cccnc1NC(=O)Cc1ccc(C(F)(F)F)cc1 9602632 CXTDJXLBBUTYQW-UHFFFAOYSA-N 294.276 3.590 0 40 CHAB CC(C)[C@H](C)NC(=O)c1cc(Cl)sc1Cl 9762329 TULMJWPDSXYSAZ-LURJTMIESA-N 266.193 3.829 0 40 CHAB Cc1cc(C(=O)O)ccc1NC(=O)c1cc2ccccc2o1 13391012 UKZDYBDPDNHKRW-UHFFFAOYSA-N 295.294 3.692 0 40 CHAB COc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1 14199593 DLDFPWOJOFPNCB-HNNXBMFYSA-N 289.400 3.884 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 14796093 FXTYERNRPLSHDP-CQSZACIVSA-N 292.382 3.919 0 40 CHAB Cc1ccc(CNC(=O)C2=C(Cl)CCCC2)cc1 15544176 ONPPFRRSSKSTBN-UHFFFAOYSA-N 263.768 3.678 0 40 CHAB Cc1ccc(N)cc1NC(=O)/C=C/c1ccc(Cl)cc1 20345141 SSXNEBRUOZIYKS-WEVVVXLNSA-N 286.762 3.883 0 40 CHAB OC1=Nc2n[nH]cc2[C@H](c2cccc3ccccc23)C1 20737376 UBYSXCWGEXJOCT-ZDUSSCGKSA-N 263.300 3.687 0 40 CHAB O=C(Nc1ncccn1)c1ccc(Oc2ccccc2)cc1 21210733 AOJSSFMSRHKALW-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB CN(C)CCN(Cc1cccs1)CC1CCCCC1 23247829 JISNGZNFKQLDBM-UHFFFAOYSA-N 280.481 3.692 0 40 CHAB C=C1c2ccccc2NC(=O)N1Cc1ccc(F)cc1 25045343 YQOYJSGIQXNWPO-UHFFFAOYSA-N 268.291 3.844 0 40 CHAB O=C(c1ccc(F)cc1)c1ccc(F)cc1Cl 33609598 XQFWXPFVJXIPIH-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CC1(C)CCc2ccc(Br)cc2C1=O 34412551 ZIVNOYFWLZUXOZ-UHFFFAOYSA-N 253.139 3.604 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(C(F)(F)F)cc1 40072012 ASWPBWXYCOKRLD-PTRXPTGYSA-N 271.282 3.539 0 40 CHAB Cc1cc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)sc1C 40108233 QBRMVSMLNQTGQO-SMDDNHRTSA-N 295.448 3.690 0 40 CHAB CSc1ccc(C(=O)CCCCC(=O)O)c(Cl)c1 43214174 WGDRSBJOERECRL-UHFFFAOYSA-N 286.780 3.890 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)Cc2cccc3cccnc23)[C@@H]1C 43491888 RQZIUTDNRCURFR-CKEIUWERSA-N 296.414 3.718 0 40 CHAB Cc1ccnc(C(=O)c2cccc(Cl)c2Cl)c1 45028633 IAFCWCYCRLAABU-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB O=C(c1cccs1)N1CCC[C@H]1c1nc2ccccc2[nH]1 53356706 LNPSUPTXYFKZSN-ZDUSSCGKSA-N 297.383 3.602 0 40 CHAB O=C(NCc1cc(-c2ccccc2)on1)Nc1ccccc1 58180763 UGGHEJVOIHACOH-UHFFFAOYSA-N 293.326 3.663 0 40 CHAB Cc1nc(Cl)cc(N2CCC[C@H]2c2ccsc2)n1 58426986 IFVBBPYDWRDLTH-NSHDSACASA-N 279.796 3.841 0 40 CHAB Cc1oc(C)c(C(=O)N[C@@H]2CCCc3occc32)c1C 71185744 ONPINMINKATKAV-CYBMUJFWSA-N 273.332 3.605 0 40 CHAB CSc1ccc(OCCN2CCCC[C@@H]2C)cc1 72304849 BXKBOZVPCJEGNY-ZDUSSCGKSA-N 265.422 3.662 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CSCCS1 75567873 DUEMRXZUETURKC-CYBMUJFWSA-N 295.473 3.906 0 40 CHAB CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cccnc23)CC1 82238047 IZGOUOPJPZPPDJ-UHFFFAOYSA-N 299.374 3.587 0 40 CHAB Fc1ccc(-c2n[nH]c3c2cnc2ccccc23)cc1 85346598 RSKGDPJUJSDRGY-UHFFFAOYSA-N 263.275 3.917 0 40 CHAB C[C@@H](NCCc1ccccc1F)c1cccnc1Cl 95419368 NJTYQHWSUCRCJZ-LLVKDONJSA-N 278.758 3.767 0 40 CHAB Cc1nc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)cs1 95422170 DXOAEFMLFRGKTR-GHMZBOCLSA-N 278.425 3.641 0 40 CHAB Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1C(C)C 95534963 PXDDGXONBSBKGP-UHFFFAOYSA-N 269.266 3.979 0 40 CHAB COc1cccc(F)c1C(=O)c1ccc(F)c(Cl)c1 95916163 BUBLRSKCFXFEJM-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB Cc1ccc(C(=O)COc2ccccc2)cc1Cl 95916428 ZMVDPWNHLMNVTR-UHFFFAOYSA-N 260.720 3.910 0 40 CHAB CC(C)Cn1cc(N[C@@H](C)c2nc3ccccc3n2C)cn1 97038661 OJZWOUFTDYBVLX-ZDUSSCGKSA-N 297.406 3.599 0 40 CHAB Oc1ccc(-c2nc(-c3cccs3)no2)cc1Cl 97212431 YZWDMCNHAJAGPV-UHFFFAOYSA-N 278.720 3.824 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)s1 100622634 RFNRIMXQDDDNGY-LOWDOPEQSA-N 263.406 3.611 0 40 CHAB CCOC(=O)c1ccc2oc(-c3ccc(OC)cc3)nc2c1 216794699 ASRLITQAFLGVMP-UHFFFAOYSA-N 297.310 3.680 0 40 CHAB CN(C(=O)COc1cccc2c1CCCC2)c1ccccc1 223095140 KULVDCOXNPFFIV-UHFFFAOYSA-N 295.382 3.607 0 40 CHAB CCCN(c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)O 224994517 XRMOGWUZFSVEHO-QMMMGPOBSA-N 276.163 3.683 0 40 CHAB CC(C)[C@H](C)NC(=O)CCc1cccc2ccccc12 225229641 PFWZOYKLFITGTN-AWEZNQCLSA-N 269.388 3.933 0 40 CHAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1 225609962 JITYQPQVJUXROO-INIZCTEOSA-N 279.380 3.619 0 40 CHAB Cc1cccc(CNC(=O)CCc2ccc(C)c(C)c2)c1 225807344 ULONYSOVWBDJKZ-UHFFFAOYSA-N 281.399 3.861 0 40 CHAB C(=C\c1nc2ccccc2o1)\c1ccc(-n2ccnn2)cc1 255190522 XTLSCUMNHMPVAS-YFHOEESVSA-N 288.310 3.579 0 40 CHAB CC(C)(C)CC(C)(C)NC(=O)c1ccc2cnncc2c1 408981082 YXBIZBWLRUBJFE-UHFFFAOYSA-N 285.391 3.574 0 40 CHAB NC1(c2cc(Br)c3ccccc3c2)CC1 575629296 OVVGOBCEQMNDSP-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB FC[C@H]1CCN(c2nc3ccc(Cl)cc3s2)C1 2086992526 JRUIUQKDKVCVMJ-MRVPVSSYSA-N 270.760 3.746 0 40 CHAB CCCc1ccc(-c2ccc(C3CNC3)cc2)cc1 1857794126 SMUUYIYLUULBQC-UHFFFAOYSA-N 251.373 3.993 0 40 CHAB C[C@@]12C[C@@H](NC(=O)N1c1ccccc1F)c1ccccc1O2 427393 QUYOJCYESGGDRB-CXAGYDPISA-N 298.317 3.595 0 40 CHAB CCc1ccc2c(Cl)c(C(=O)OC)sc2c1 484473 PIQBTJSKILMPFB-UHFFFAOYSA-N 254.738 3.904 0 40 CHAB COc1ccc(OC)c(NC(=O)c2cc(C)cc(C)c2)c1 505907 QJMCIRAHIOJQQH-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB Cc1cn([C@@H]2OC(=O)c3ccccc32)c2ccccc12 1674989 DFOBYISMRRWAJN-MRXNPFEDSA-N 263.296 3.667 0 40 CHAB COc1ccc([C@@H]2NCCC[C@@H]2c2ccccc2)cc1 1700402 HOBHPIQVTRUWBT-MSOLQXFVSA-N 267.372 3.904 0 40 CHAB CSc1ccc(OC(=O)NC2CCCCC2)cc1 1738976 KOUZDRQYGBKONY-UHFFFAOYSA-N 265.378 3.830 0 40 CHAB COc1ccc(Br)cc1CN1CCCC[C@@H]1C 23281476 JAIMLDUJZGEJBI-NSHDSACASA-N 298.224 3.832 0 40 CHAB C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccccc1 3518117 SCWBWIJTVTXRFD-LLVKDONJSA-N 275.348 3.945 0 40 CHAB CON(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 4290492 QGPDJRGLKUFPLW-UHFFFAOYSA-N 290.750 3.936 0 40 CHAB c1ccc(COc2ccccc2CNC2CC2)cc1 4746617 KDVTZUXJTDAKCP-UHFFFAOYSA-N 253.345 3.518 0 40 CHAB Cc1cc(C)cc(NC(=S)NCc2ccccc2F)c1 6963058 TYWDGWPCCIKGBP-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB COc1ccc(C)cc1NC(=O)CCc1cccc(C)c1 8328005 QHDYWCIHMWVDIW-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1ccoc1C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 55735921 GIVAIDSYIOHMRK-GFCCVEGCSA-N 294.354 3.829 0 40 CHAB Cc1cc(Cl)nc(COc2ccccc2Cl)n1 58043480 CFOJDGJKTWCSNW-UHFFFAOYSA-N 269.131 3.671 0 40 CHAB CCc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)o1 48204688 JIAFSCNEAXCPST-UHFFFAOYSA-N 282.299 3.749 0 40 CHAB CCOc1ccc2oc(C(=O)Nc3ccncc3)c(C)c2c1 9512495 YKVSFNNLSUKLOT-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB CCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 1977923 QQGJRICNISWCNT-UHFFFAOYSA-N 266.296 3.859 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]2C1 100526876 APLUXIOEUVUFLR-HZPDHXFCSA-N 283.371 3.539 0 40 CHAB Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2C=O)cc1 2558268 PSXXMZYCWYDYIA-UHFFFAOYSA-N 294.329 3.858 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)o1 9155698 OKHLBHRMOJAGOF-UHFFFAOYSA-N 279.723 3.811 0 40 CHAB C[C@H]1CCCN([C@@H](CN)c2ccc(Cl)cc2Cl)C1 20081648 UJGDOGDFIJTPLX-HZMBPMFUSA-N 287.234 3.725 0 40 CHAB Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1c(C)cccc1C 19736130 KEIWTRFGJKQINN-AWEZNQCLSA-N 298.386 3.600 0 40 CHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)c(C)c2)c1 5234376 PGXXYBHGURGHNK-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1F 14373789 NTBJPERBAICIEJ-MRXNPFEDSA-N 269.319 3.551 0 40 CHAB FC1(F)C(Cl)=C(Cl)[C@](F)(Cl)C1(F)F 71790171 JMTPGSMYAMXWBK-GSVOUGTGSA-N 261.404 3.864 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C)c(Cl)c2)c(N)c1 63021015 RYKZPCXXGFQBMJ-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1CC=CC1 89361161 ZRYRRJNMWZQGHT-UHFFFAOYSA-N 299.292 3.510 0 40 CHAB O=c1cc(-c2ccccc2Cl)[nH]n1-c1ccc(F)cc1 9937432 KCPQGHVSODMQRQ-UHFFFAOYSA-N 288.709 3.625 0 40 CHAB Cc1nccn1-c1ccc(NC(=O)NC2CCCCC2)cc1 28305282 YAYIOQHWTNXLLF-UHFFFAOYSA-N 298.390 3.635 0 40 CHAB CN(Cc1ccccc1F)C(=O)C1(c2ccccc2)CC1 68237700 FLTOXIWWPPWHFA-UHFFFAOYSA-N 283.346 3.516 0 40 CHAB Cc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1N 37014755 RYFUVIRIJXOIKX-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB O=C(Cn1ccc2cc(Cl)ccc21)NCc1ccccc1 32089454 AUDBLFMFOQRFIB-UHFFFAOYSA-N 298.773 3.611 0 40 CHAB CCN(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 48578479 AUUJGSGGZGAKGK-UHFFFAOYSA-N 288.778 3.805 0 40 CHAB Cc1ccc2oc(=O)c(C(=O)NC3CCCCCC3)cc2c1 226036087 MSGHEJMRBCMVGE-UHFFFAOYSA-N 299.370 3.554 0 40 CHAB CC(C)(C)C(=O)NCc1ccc(Cl)cc1Cl 44836863 VJUCAFCOBZZJFQ-UHFFFAOYSA-N 260.164 3.656 0 40 CHAB Cc1ccc(C)c(C(=O)NCCSCc2ccco2)c1 225301297 WXJMCIGFRXTASQ-UHFFFAOYSA-N 289.400 3.560 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1CCOCC1CC1 95097527 QWWOLKJMQXLBMY-AWEZNQCLSA-N 283.412 3.593 0 40 CHAB CCCCOc1cc(F)cc(C(=O)C(F)(F)F)c1 95732798 PQDUOZBCVLOOFZ-UHFFFAOYSA-N 264.218 3.750 0 40 CHAB CCOC(=O)c1c[nH]c(-c2ccccc2C(F)(F)F)c1 96304341 PPCGUPCIKSHNDF-UHFFFAOYSA-N 283.249 3.877 0 40 CHAB COc1cc(C(=O)c2cc(Cl)ccc2OC)ccc1F 95916310 DNTLXUJHVJHWKV-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB CCc1nc(CN(C)c2cc(C)ccc2C)cs1 95953100 RWOKPGVAYCRJHK-UHFFFAOYSA-N 260.406 3.959 0 40 CHAB O=C(Cc1ccccc1)N1CCCSc2ccccc21 12792736 TTZASQHGVQGSNC-UHFFFAOYSA-N 283.396 3.758 0 40 CHAB NC(=O)c1ccc(OCc2cccc3ccccc23)cc1 6127044 RFZGNHGSAJHQST-UHFFFAOYSA-N 277.323 3.518 0 40 CHAB Cc1ccc(-c2noc(CNc3ccccc3)n2)cc1 203383 QOWUYWTUAFEZNP-UHFFFAOYSA-N 265.316 3.657 0 40 CHAB CSc1ccccc1C1=N[C@H](c2ccccc2)CO1 40828119 CWXLYGZJGRCNLT-AWEZNQCLSA-N 269.369 3.927 0 40 CHAB COc1cccc(NCc2ccc(O)c3ncccc23)c1 809942 NDKRMYWVOKLVQL-UHFFFAOYSA-N 280.327 3.561 0 40 CHAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccccc1)CC3 331942 SUNIDYOCOVQBMR-UHFFFAOYSA-N 299.329 3.739 0 40 CHAB O=C(NCc1cccs1)Nc1cccc2ncccc12 40087090 PIVINHMVLXDZSK-UHFFFAOYSA-N 283.356 3.618 0 40 CHAB Cc1ccccc1CC(=O)N1CCCc2ccc(F)cc21 40117240 BVLNNYDORRGYBL-UHFFFAOYSA-N 283.346 3.656 0 40 CHAB O=C(Cc1cccs1)N1CCCc2cc(Cl)ccc21 31925506 DVYYWMDFFLJKPH-UHFFFAOYSA-N 291.803 3.923 0 40 CHAB Cc1ccccc1CSCc1ccc(C(=O)O)o1 266730 XPKHGQPUNMPXPX-UHFFFAOYSA-N 262.330 3.720 0 40 CHAB COC(=O)c1ccc(CN(C)[C@@H]2CCCc3ccccc32)o1 32769963 UFQGOXWNUTUXLA-MRXNPFEDSA-N 299.370 3.576 0 40 CHAB CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12 42653 NAYMIPUFIQUKOS-UHFFFAOYSA-N 270.284 3.777 0 40 CHAB aggregator CCc1ccccc1NC(=O)COc1cc(C)cc(C)c1 128703 GZNGGPTZNWOSED-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB COCc1nc2ccccc2n1CCOc1ccccc1C 246961 NKFRRLLMZYDISQ-UHFFFAOYSA-N 296.370 3.570 0 40 CHAB O=C(NCCC1=CCCCC1)c1ccccc1Cl 362255 BGHRGPVOJRIJOQ-UHFFFAOYSA-N 263.768 3.960 0 40 CHAB Cc1cc2n(n1)[C@H](c1cccc(O)c1)Nc1c(C)cccc1-2 818121 OKYVXGTZPHTRPK-GOSISDBHSA-N 291.354 3.845 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1ccccc1CN1CC=CC1 2515917 TVMVHKKYEDGYSK-UHFFFAOYSA-N 299.320 3.568 0 40 CHAB Cc1cc(NC(=O)c2ccccc2Cl)c(C)cc1O 3074271 BGMPOEXSSGYCPG-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB COc1ccc2ccccc2c1/C=C/c1cc[n+](C)cc1 3099569 YWSUJAUXUQIXRR-VQHVLOKHSA-N 276.359 3.843 0 40 CHAB CC[C@H]1CCCCN1C(=S)Nc1cccc(C)c1 3258883 KZCSHZLKKZMWCF-AWEZNQCLSA-N 262.422 3.956 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)c1cc(C)ccc1C 3356574 DDHUQGFDXQTTIC-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccc3nccnc3c2)c(C)c1 3383258 ZNLVIGHPYLHYBB-UHFFFAOYSA-N 291.354 3.807 0 40 CHAB CCOc1ccccc1NC(=O)/C=C/c1cccc(F)c1 3472781 RDAIMARPWLAYNY-ZHACJKMWSA-N 285.318 3.876 0 40 CHAB CSc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1 5155675 NIDAZTPPHKRSGN-RVDMUPIBSA-N 281.380 3.926 0 40 CHAB CCCc1nn2cc(-c3ccc(OCC)cc3)nc2s1 5182373 QIMOBIMHPRXEJN-UHFFFAOYSA-N 287.388 3.809 0 40 CHAB COc1ccc(C)cc1NC(=O)CCOc1ccc(C)cc1 5959745 SULDWTOMZKLMBP-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB Cc1cccc(CN2C(=O)S/C(=C/c3ccco3)C2=O)c1 6478768 BCGOJJZDTMZBNI-NTEUORMPSA-N 299.351 3.825 0 40 CHAB CCCCOc1ccccc1C(=O)NC1CCCCC1 7659138 QPNSJBNWPOIUKB-UHFFFAOYSA-N 275.392 3.928 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccoc1C 10541037 GMRKMWYOXSSHRX-UHFFFAOYSA-N 295.342 3.643 0 40 CHAB COc1ccc2oc(-c3csc(NC(C)=O)n3)cc2c1 10882261 ZCVGERNBZLNGAJ-UHFFFAOYSA-N 288.328 3.523 0 40 CHAB O=C1CCc2c(OCc3cc(-c4ccco4)on3)cccc21 11100610 QTKSREOASASQER-UHFFFAOYSA-N 295.294 3.643 0 40 CHAB C[C@H]1CCCCN1C(=O)CCc1nc2ccccc2s1 12930989 CECDIHBXBOGTFG-LBPRGKRZSA-N 288.416 3.630 0 40 CHAB COc1ccc(-c2ccnc3nc4ccccc4n23)cc1 13721192 LSBUCZIUVCZNEL-UHFFFAOYSA-N 275.311 3.558 0 40 CHAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@H]1CC=CCC1 14688260 GETKIFDZLJVSRK-KUNBBXKYSA-N 273.420 3.675 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCSC1 16385401 YURDPYXCZVAGNP-UHFFFAOYSA-N 277.176 3.532 0 40 CHAB CC[C@H](CNCc1ccccc1)Oc1cccc(C)c1 19737832 RULGRYLJYCLOBQ-QGZVFWFLSA-N 269.388 3.942 0 40 CHAB O=C(O)/C=C/c1ccccc1OCc1cccc(F)c1 20303910 WLRBJDXVRCYADI-CMDGGOBGSA-N 272.275 3.503 0 40 CHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCCCCC2)c1 20460951 XMIYTOAZQYNSFP-MRXNPFEDSA-N 289.419 3.782 0 40 CHAB O=C(Nc1cccc2ncccc12)C1(c2ccccc2)CC1 21363661 KWLMUOIRTJBSPR-UHFFFAOYSA-N 288.350 3.905 0 40 CHAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(C)cc2C)c1 22524994 YJLZEVVBMDCDFD-CQSZACIVSA-N 299.370 3.718 0 40 CHAB CCCCCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 22991542 XVMUIVHEVHEVMN-UHFFFAOYSA-N 271.263 3.527 0 40 CHAB Cc1cccnc1NC(=O)c1nc(-c2ccccc2)oc1C 27650719 SAPSMKFBRYFAFN-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(C)cc1 30857303 DMNWTZXMINWOPI-QGZVFWFLSA-N 297.398 3.777 0 40 CHAB CN(Cc1cc(Cl)cc2c1OCOC2)C1CCCCC1 32668122 DRRCGFUXZNWWED-UHFFFAOYSA-N 295.810 3.971 0 40 CHAB COc1ccc2nc(NC(=O)C[C@H]3C=CCC3)sc2c1 32738545 SAUCGGDCYHEYRE-JTQLQIEISA-N 288.372 3.600 0 40 CHAB COc1ccc(C(=O)c2ccc(F)cc2Cl)cc1F 35424007 GMLVXEWDDLJYLD-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB COc1ccccc1NC(=O)N1CC[C@H](c2ccccc2)C1 38567337 DWFWXDDSOKIPDC-HNNXBMFYSA-N 296.370 3.717 0 40 CHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccs1 40155225 RXNUDXRVHPVSCT-LLVKDONJSA-N 296.395 3.989 0 40 CHAB Cn1ccc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc21 40310092 YHBRWFZMICIWRO-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic CN(C(=O)Cc1ccc(Cl)cc1)C1CCCCC1 42137113 DEORDTHBZFWYAH-UHFFFAOYSA-N 265.784 3.674 0 40 CHAB Cc1cc(C)cc(C(=O)c2ccc(C3OCCO3)cc2)c1 43212656 UICBJXIJYPWAHA-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB O=C(c1cccc2[nH]ccc12)N1CCC[C@H]1C1CCCC1 45091771 JKFDSFJIUUCMRZ-KRWDZBQOSA-N 282.387 3.963 0 40 CHAB O=C(O)c1ncc(-c2ccc(F)cc2)cc1C(F)(F)F 47205278 NIIPLUHYGHTNEI-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB CN(C(=O)c1ccc(-c2cnco2)cc1)C(C1CC1)C1CC1 50399609 NKKZXRJNYUCGES-UHFFFAOYSA-N 296.370 3.602 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC(C)CC2)c1 58969984 OEITXUUJHMOLJJ-UHFFFAOYSA-N 289.419 3.756 0 40 CHAB COc1c(Cl)cc(C)cc1C(=O)N1CCCC[C@H]1C 72206586 AEAASSCRQQZWSJ-LLVKDONJSA-N 281.783 3.672 0 40 CHAB CC(C)N1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 72213858 YCIFGKQBDORCGC-MRXNPFEDSA-N 273.424 3.981 0 40 CHAB c1ccc(Nc2ccc([C@@H]3CCCCN3)cn2)cc1 72214090 POWJUMXTTWSKDU-HNNXBMFYSA-N 253.349 3.640 0 40 CHAB Cc1cc([C@H]2CCCN2C(C)C)cnc1N1CCCC1 72218800 ZXJPFXXINSJVBZ-MRXNPFEDSA-N 273.424 3.536 0 40 CHAB COCCC1(CNC(=O)c2ccccc2Cl)CCCC1 83898048 LHTFEEXKOMKMIC-UHFFFAOYSA-N 295.810 3.667 0 40 CHAB CC(C)n1cnnc1S[C@H](C)c1ncc(C(C)(C)C)o1 89894140 RZQNZHKQYJLGHY-SNVBAGLBSA-N 294.424 3.998 0 40 CHAB C[C@@H](Nc1ncnc2sccc12)c1nc2ccccc2[nH]1 95348627 LAOJHADQSWCVFC-SECBINFHSA-N 295.371 3.741 0 40 CHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)c1ccc(Cl)c(Cl)c1 95634169 VRMSGOQZYFIZEH-NXEZZACHSA-N 299.153 3.843 0 40 CHAB COc1cccc(C(=O)c2cccc(SC)c2)c1 95917208 JAUPXJXBZPOAOY-UHFFFAOYSA-N 258.342 3.648 0 40 CHAB CC(C)C[C@H](C)OC(=O)c1cncnc1-c1ccccc1 96013412 LYARSQHOLUDYOT-ZDUSSCGKSA-N 284.359 3.735 0 40 CHAB CSCc1cccc(NC(=O)N(C)[C@H](C)CSC)c1 96413413 NDEFIHXRVGRIKR-LLVKDONJSA-N 298.477 3.765 0 40 CHAB CCOc1ccc(/C=C2/SC(=S)N(C)C2=S)cc1 97051268 XNEWYIKBCFHQGM-DHZHZOJOSA-N 295.454 3.717 0 40 CHAB CN(C)c1cccc([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)c1 98010447 OINXZCKSPQYETG-MAUKXSAKSA-N 298.430 3.772 0 40 CHAB CC(C)=C1OC(=O)C(C)(C)[C@H]2CCc3ccccc3N12 100002686 LNKVVAWFDPHGQB-CQSZACIVSA-N 271.360 3.642 0 40 CHAB Cc1cc(C)cc(OCc2noc3c2CCCC3)c1 108659683 NTLBEUWSJVVRDB-UHFFFAOYSA-N 257.333 3.749 0 40 CHAB CCOC(=N)c1cc(C(F)(F)F)ccc1Br 206458810 IETZICJZOGUOJV-UHFFFAOYSA-N 296.086 3.830 0 40 CHAB Cc1ccc(CCC(=O)NCc2ccc(F)cc2)cc1C 225720486 WMTJRGGNYXNIEY-UHFFFAOYSA-N 285.362 3.692 0 40 CHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC)cc1 225737270 VRJRTTVMDSTNJQ-MRXNPFEDSA-N 279.380 3.619 0 40 CHAB Cc1ccc(Oc2cccc([C@@H]3CCCNC3)n2)cc1 257197625 FFFYZFGWZFVLAR-CQSZACIVSA-N 268.360 3.649 0 40 CHAB CCC(CC)[C@H]1C[C@@H](NC(=O)C(C)C)[C@@H]2CCCC[C@H]2O1 257250307 JLZMMVPEFYMDQG-YLFCFFPRSA-N 295.467 3.911 0 40 CHAB FC(F)(F)c1nc2c(Br)c(Cl)ccc2[nH]1 258833753 LSDPWJIAVPXHPS-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB FC(F)(F)c1ccc(Br)c2nc(Cl)[nH]c12 258834141 OEXQJTBAPLVWHU-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB c1ccc2oc(=NCc3ccc(-c4ccoc4)nc3)[nH]c2c1 2087158706 IBUUANXHEYWNSF-UHFFFAOYSA-N 291.310 3.517 0 40 CHAB O=C1O[C@H](Nc2ccccc2C(F)(F)F)c2ccccc21 91687 KDPAAURUHSEXJX-ZDUSSCGKSA-N 293.244 3.987 0 40 CHAB Cc1cccc(OCC(=O)N2CCCc3ccccc32)c1C 122303 ITDGTLLJGIVFRU-UHFFFAOYSA-N 295.382 3.662 0 40 CHAB CC(=O)c1cc(-c2ccc(Cl)cc2Cl)no1 123929 APPDMIAJOUWXEQ-UHFFFAOYSA-N 256.088 3.851 0 40 CHAB O=C(Nc1ccc(Cl)cc1)C1=Cc2ccccc2OC1 1388125 HAUSGRVPECZHPC-UHFFFAOYSA-N 285.730 3.755 0 40 CHAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccccc1 1725468 ZRLNSNULNMARCC-LSDHHAIUSA-N 292.787 3.670 0 40 CHAB CC(=O)O[C@@H]1CCCCCCCCCCC12OCCO2 1767857 KKRNRLDCIJOKGF-OAHLLOKOSA-N 284.396 3.576 0 40 CHAB Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1O 3075880 SWJAIACONDAXTG-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1ccc(F)cc1F 3456383 SHVNMTVHBCINCW-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB Cc1ccc(C(=O)NCc2ccccc2Cl)cc1 3562318 UHPHTMVEMJGUEY-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB CC(C)c1ccc(NC(=O)COc2ccccc2F)cc1 5104794 HSEAZEUXSKCNAC-UHFFFAOYSA-N 287.334 3.967 0 40 CHAB OCCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5253735 WKFXDHXJLMIZIS-UHFFFAOYSA-N 272.388 3.526 0 40 CHAB C[C@H]1CCCCN1[C@@H](C)C(=O)c1c[nH]c2ccccc12 5557346 LBVSFXUUSXMYMA-STQMWFEESA-N 270.376 3.614 0 40 CHAB Cc1cccc(NC(=O)CCC(=O)c2cccs2)c1 6302402 IIVCQMNGFQZNRP-UHFFFAOYSA-N 273.357 3.658 0 40 CHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(F)cc1F 6376355 MHZKAAVQIROCII-UHFFFAOYSA-N 287.187 3.634 0 40 CHAB CCOc1ccc(NC(=S)NC(CC)CC)cc1 7529447 QEIFWTJPXOUXDU-UHFFFAOYSA-N 266.410 3.560 0 40 CHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C)cc1 8558347 BDFVEKCKNKOMDK-HNNXBMFYSA-N 287.334 3.930 0 40 CHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1O 8716861 GFUKRQFBTHGSIC-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB Cc1cc(S[C@H]2C[C@H](C)OC2=O)nc2c(C)cccc12 8945622 CACQTYWHCRMUNI-AAEUAGOBSA-N 287.384 3.648 0 40 CHAB Cc1cc(S[C@@H]2C[C@@H](C)OC2=O)nc2c(C)cccc12 8945626 CACQTYWHCRMUNI-DGCLKSJQSA-N 287.384 3.648 0 40 CHAB O=C(Nc1noc2ccccc12)Nc1noc2ccccc12 9667564 DLSKFTQTSSHYSM-UHFFFAOYSA-N 294.270 3.613 0 40 CHAB CCc1ccc(CC(=O)N2CCCc3ccccc32)cc1 10812447 HJWDNJMMCDSBEQ-UHFFFAOYSA-N 279.383 3.771 0 40 CHAB COc1cccc(NC(=O)N[C@H](C)c2ccc(F)cc2)c1 13048038 RSEMZJNZEJWSNB-LLVKDONJSA-N 288.322 3.717 0 40 CHAB CCc1nnc(SCc2ccccc2Cl)n1CC 13992313 KDXJFTODPASAET-UHFFFAOYSA-N 281.812 3.806 0 40 CHAB COc1ccccc1NC(=O)Nc1ccc2oc(C)nc2c1 18173798 HWEPRIWBVXHFPI-UHFFFAOYSA-N 297.314 3.789 0 40 CHAB Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(N)c1C 19736333 OBIKKAHJEVHJRH-CQSZACIVSA-N 298.386 3.600 0 40 CHAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 20482403 YSYJYNQWHZMPSK-UHFFFAOYSA-N 289.762 3.621 0 40 CHAB O=C(O)C/C(=C/c1cccnc1)c1nc2ccccc2s1 22025300 XWMJAXAITQZJNC-WQLSENKSSA-N 296.351 3.707 0 40 CHAB c1ccc2[nH]c(NCCc3c[nH]c4ccccc34)nc2c1 22126816 UOMGFKZTWBUWJF-UHFFFAOYSA-N 276.343 3.699 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1C 22250647 OJXJBGUHXLADLR-UHFFFAOYSA-N 291.297 3.924 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(Cl)cc1 24929236 ZFOCBSCTYJKDMQ-SWLSCSKDSA-N 294.826 3.760 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1 26898230 YJTKQBHNTVUOFR-AWEZNQCLSA-N 294.370 3.637 0 40 CHAB O=C(Cn1ccc2ccccc21)Nc1ccc2cc[nH]c2c1 32123808 PHHHFYDGARRMEL-UHFFFAOYSA-N 289.338 3.761 0 40 CHAB biogenic CCONC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 32848298 RQGWHRJMXWASES-NSHDSACASA-N 281.421 3.580 0 40 CHAB CCn1c(CN[C@@H](C)Cc2cccs2)nc2ccccc21 38046810 SVJIRRBDILJTHG-ZDUSSCGKSA-N 299.443 3.839 0 40 CHAB CN(Cc1ccccc1)C(=O)Nc1cccc2ncccc12 40103579 DFQXZICTZASXEF-UHFFFAOYSA-N 291.354 3.899 0 40 CHAB C[C@H]1C[C@@H](C)CN([C@@H](C)c2nnc(-c3cccs3)o2)C1 40463455 CTFVTRWWEXZJPZ-TUAOUCFPSA-N 291.420 3.837 0 40 CHAB CCOC(=O)c1cccc(-c2cccc(OC)c2)c1 44201031 FZNAUCPPMNJPIF-UHFFFAOYSA-N 256.301 3.539 0 40 CHAB O=C(c1ccccc1)N1CCC[C@H]1c1ccccc1 54993590 VGLDPRMMLHHHPP-INIZCTEOSA-N 251.329 3.664 0 40 CHAB Cc1c(N)cc(-c2nc3cc(Cl)ccc3o2)cc1N 57351262 SPRBSSKYSQJZPP-UHFFFAOYSA-N 273.723 3.621 0 40 CHAB CCN(Cc1ccc2c(c1)OCO2)c1nc2ccccc2o1 58394142 GNMZAIBKCYXBNM-UHFFFAOYSA-N 296.326 3.583 0 40 CHAB COc1cc2nccc(Nc3cccc(N)c3)c2cc1OC 64875365 RMULSNZCRDUUCB-UHFFFAOYSA-N 295.342 3.578 0 40 CHAB CCN1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 72212010 NAWKIGLSDYEGQW-QGZVFWFLSA-N 282.387 3.817 0 40 CHAB C[C@@H](OC(=O)c1ccc2ccccc2n1)c1ccccn1 73532004 XLUXGGDICHYSRQ-GFCCVEGCSA-N 278.311 3.548 0 40 CHAB C[C@H]1CCCN(Cn2nc(C3CC3)sc2=S)CC1 74719739 FNHSFXUXHVWSHU-JTQLQIEISA-N 283.466 3.631 0 40 CHAB CCCC(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 76643833 NOCSNQIXNNLTPX-UHFFFAOYSA-N 293.370 3.646 0 40 CHAB CSCCC(=O)c1c(F)cc(Br)cc1F 87196762 QMKSBYJMHPBYLN-UHFFFAOYSA-N 295.148 3.663 0 40 CHAB Cc1noc([C@@H](C)S[C@@H](C)c2nnc(CC(C)C)o2)n1 89718570 BBKQUYRKIQGJKW-BDAKNGLRSA-N 296.396 3.515 0 40 CHAB CC[C@@H](NCc1cn2ccsc2n1)c1ccc(F)cc1 95421035 RFKUVNHDGHLCFX-CQSZACIVSA-N 289.379 3.776 0 40 CHAB CCCCc1ccc(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 95633987 ZWPYUXPBROFABV-CVEARBPZSA-N 286.371 3.879 0 40 CHAB Cc1ccccc1[C@@H](N[C@@H](C)c1cnn(C)c1)C1CC1 95967940 BMLPANRPPYCKIC-GUYCJALGSA-N 269.392 3.530 0 40 CHAB COC[C@@H](N[C@H]1CCCc2ccccc21)c1ccco1 95968860 FRGSBCKQRFRZKG-JKSUJKDBSA-N 271.360 3.634 0 40 CHAB Cc1nn2c(O)cc(C(C)(C)C)nc2c1-c1cccs1 100163362 BOMGTPHLBRXSPF-UHFFFAOYSA-N 287.388 3.769 0 40 CHAB Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)sc2c1 100468426 XFGAHBKYMOWPIP-UTUOFQBUSA-N 286.400 3.979 0 40 CHAB CC(C)(CO)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@@H]21 102805108 UUJKDBXPGVPHKQ-IBEHDNSVSA-N 264.409 3.545 0 40 CHAB biogenic Cc1ccc2c(c1)nc1n2C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103134243 XTWQSORRZBPXII-PIGZYNQJSA-N 268.360 3.908 0 40 CHAB CC1(C)CN(C(=O)c2ccoc2)C[C@H]1c1ccccc1 122028267 OHTUBQZWVQGFQQ-HNNXBMFYSA-N 269.344 3.545 0 40 CHAB CC(C)C(=O)c1ccc(Br)cc1Cl 167719561 DMBHLFSFOMKVAC-UHFFFAOYSA-N 261.546 3.941 0 40 CHAB Cc1cncc(CNCc2ccc(C)c(Cl)c2)c1 195448760 BBJDMVSIJUJJID-UHFFFAOYSA-N 260.768 3.642 0 40 CHAB Cc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)cc1C 225419313 WJUDBBGWYNHXME-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)C(C)(C)C 226253416 LUSFDUUEFBPUAH-LBPRGKRZSA-N 289.423 3.632 0 40 CHAB O=c1c2ccccc2cnn1-c1cc(Cl)ccc1Cl 69791 AIUJZBUKCIFARP-UHFFFAOYSA-N 291.137 3.693 0 40 CHAB CC(C)SCC(=O)c1cccc(Br)c1 37687621 RGPCSVJJHRYMGW-UHFFFAOYSA-N 273.195 3.773 0 40 CHAB CCCCOc1ccc(N2C(=O)c3ccccc3C2=O)cc1 1807694 GZFUYBXMDCAKMY-UHFFFAOYSA-N 295.338 3.666 0 40 CHAB c1csc(-c2nc3cnccn3c2NC2CCCC2)c1 3896507 PCNAYFSSSHBFJM-UHFFFAOYSA-N 284.388 3.812 0 40 CHAB CCn1c(S)nnc1COc1cc(C)ccc1C(C)C 6605317 XEKJCQUVKQMFDS-UHFFFAOYSA-N 291.420 3.598 0 40 CHAB Cc1cc(C)cc(N/C=C2/N=C(c3ccccc3)OC2=O)c1 105930480 LCGFGOUOZDGIMX-LFIBNONCSA-N 292.338 3.560 0 40 CHAB O=C(Nc1ccnn1C1CCCC1)c1ccc2c(c1)CCC2 8074696 QERBECNPACBBOE-UHFFFAOYSA-N 295.386 3.739 0 40 CHAB CCCCc1nc(C)cc(Nc2cccc(C(=O)O)c2)n1 8702968 XLKFZKFAPKEZFZ-UHFFFAOYSA-N 285.347 3.569 0 40 CHAB Nc1[nH]nc2nc(-c3ccc(Cl)c(Cl)c3)ccc12 1390245 IGNFLKWJMPUWNP-UHFFFAOYSA-N 279.130 3.514 0 40 CHAB CCCc1cc(C(=O)NOCc2ccccc2)sc1C 25036665 XSUQJBYQFAXHGZ-UHFFFAOYSA-N 289.400 3.871 0 40 CHAB CCc1ccc2nc(NCCCn3ccnc3)sc2c1 34936053 XPLUJQFXHWKAFR-UHFFFAOYSA-N 286.404 3.557 0 40 CHAB C[C@H]1S[C@H](c2ccccc2)N(c2ccccc2)C1=O 1560290 HMZGRFPANBVBFF-MLGOLLRUSA-N 269.369 3.854 0 40 CHAB CC(C)n1c(S)nnc1-c1cc2ccccc2o1 9927978 LYBNXVRHXNUOEZ-UHFFFAOYSA-N 259.334 3.561 0 40 CHAB Cc1ccc([C@@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 26894572 MNMSKWSDXPDXJG-KBPBESRZSA-N 296.399 3.794 0 40 CHAB Clc1ccc(COC[C@H]2CCCCN2)c(Cl)c1 28521942 WEVMGEFRWRVDIR-GFCCVEGCSA-N 274.191 3.652 0 40 CHAB CCCCNc1nc(-c2ccncc2)nc2ccccc12 2254941 IIZXNGHVUHRPIP-UHFFFAOYSA-N 278.359 3.904 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)NCCc2ccccc2)cc1 20368358 COEXTJGSEOSAMX-HNNXBMFYSA-N 299.439 3.835 0 40 CHAB COc1c(C)cc(C(=O)CCCCCCC(=O)O)cc1C 2378632 IYMUFESJGLBMTQ-UHFFFAOYSA-N 292.375 3.920 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)c1cccnc1Cl 37977964 LESINHDQQQKWQW-SECBINFHSA-N 292.791 3.556 0 40 CHAB Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 59973735 BFRMTDVRSPZTDV-UHFFFAOYSA-N 277.751 3.770 0 40 CHAB CC(C)c1ccc(N2Cc3ccc(N)cc3C2)cc1 36988135 KMOWSBJDYXASIA-UHFFFAOYSA-N 252.361 3.912 0 40 CHAB Cc1noc(C)c1NC(=O)N[C@@H](c1cccs1)C(C)C 60343584 ZOWGTIOVMPXKDM-GFCCVEGCSA-N 293.392 3.872 0 40 CHAB COc1ccc(NC(=O)CSc2ccccc2C)cc1 2630347 DJDDKMNEYYZHGT-UHFFFAOYSA-N 287.384 3.734 0 40 CHAB CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cc[nH]n2)cc1 46675378 QHNUCIBPEYUSKZ-MRXNPFEDSA-N 297.402 3.685 0 40 CHAB COc1ccccc1/C=C/C(=O)Nc1ccc(F)cc1F 3561576 YICORRPKFNDUOB-RMKNXTFCSA-N 289.281 3.625 0 40 CHAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(F)cn1 96013094 VDUOCQBFNAMAQZ-HNNXBMFYSA-N 299.349 3.898 0 40 CHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC(C)C 22527246 YKLRBGRESVWYEJ-OAHLLOKOSA-N 271.360 3.522 0 40 CHAB COc1ccc2cc(C(=O)NCCC3=CCCCC3)[nH]c2c1 5270253 DVQNAZOAVBYWST-UHFFFAOYSA-N 298.386 3.797 0 40 CHAB O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)cc1 6526659 NGYUSQFLWZTDDW-UHFFFAOYSA-N 278.764 3.538 0 40 CHAB COc1ccc(C=O)cc1OCc1ccc(Cl)s1 19806597 KQUZZAAOSOBIED-UHFFFAOYSA-N 282.748 3.802 0 40 CHAB CC(C)(C)[C@H](Cc1c[nH]c2ccccc12)NC1CC1 72210206 ZBUIOMZLVRDWLL-INIZCTEOSA-N 256.393 3.877 0 40 CHAB Clc1ccc(-c2cccc(Br)c2)nn1 26420461 KNYWWMABMAMYEU-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB C[C@@H](C1CC1)N(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F 69871564 UEHYBLBLTBWAPM-SMDDNHRTSA-N 299.336 3.980 0 40 CHAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C)o2)n1 72273734 GOPVGRYENGPTCC-LBPRGKRZSA-N 290.388 3.720 0 40 CHAB Cc1csc(CNc2cnn(-c3ccccc3)c2C)n1 95994158 GDUSGQLTMBMVFX-UHFFFAOYSA-N 284.388 3.558 0 40 CHAB Cc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1N 32108052 YRXJWPRNQDFBSE-UHFFFAOYSA-N 253.345 3.932 0 40 CHAB Cc1c(I)sc2ccccc12 218822555 DDKGDOJJZDFBTD-UHFFFAOYSA-N 274.126 3.814 0 40 CHAB CCCCN1CCCC[C@H]1c1cccnc1NC1CC1 72213743 SAGIRACAGZQNDB-INIZCTEOSA-N 273.424 3.983 0 40 CHAB CCCCOc1cc(C(=O)OC)cc2oc(C)cc12 72228369 AXEBTEREXWHSEF-UHFFFAOYSA-N 262.305 3.707 0 40 CHAB O=C(c1ccco1)N1CCS[C@H](c2cccs2)CC1 219490402 RZQHKZRFKUEDSK-ZDUSSCGKSA-N 293.413 3.662 0 40 CHAB Cc1ccc(C2=NN[C@](C)(c3ccc(C)o3)S2)cc1 35963602 SPYMSDPDAHVXJN-HNNXBMFYSA-N 272.373 3.767 0 40 CHAB Cc1ccc2oc([C@H]3CCN(Cc4ccccn4)C3)nc2c1 35446506 BGFBBIFLCWTHAB-AWEZNQCLSA-N 293.370 3.521 0 40 CHAB biogenic,in-vitro COC(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1 216886403 JIACLXHGZWLICX-JXMROGBWSA-N 286.302 3.591 0 40 CHAB CCOC(=O)CC1(Nc2ccccc2)CCCCC1 72210251 OIJIXRDPVXCKDD-UHFFFAOYSA-N 261.365 3.755 0 40 CHAB c1ccc(-c2nccc([C@H]3CCCN3C3CCCC3)n2)nc1 72355771 XMFFXODOEACNGB-QGZVFWFLSA-N 294.402 3.618 0 40 CHAB COc1cc(C)cc2c(Br)cc(C)nc12 85386370 JAJYQYUPFNCCLH-UHFFFAOYSA-N 266.138 3.623 0 40 CHAB O=C1Nc2ccccc2Nc2cc(Br)ccc21 87493613 MQKNIAACUFZSAW-UHFFFAOYSA-N 289.132 3.758 0 40 CHAB CCOc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1 45889419 KFWGTMGKBDJEPK-UHFFFAOYSA-N 284.359 3.537 0 40 CHAB CCOc1ccc(-c2nc(-c3ccc(N)c(C)c3)no2)cc1 225173895 CGHIHVUNPHSHJG-UHFFFAOYSA-N 295.342 3.693 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2cccc(N)c2)c(C)c1 226272337 JDZYCTOMQCLMOQ-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB CC(C)CNCc1cccn1[C@H](C)c1ccccc1 223691374 SWRKHMPTAMQWBC-OAHLLOKOSA-N 256.393 3.843 0 40 CHAB COc1cccc(F)c1C(=O)c1ccc(F)cc1C 89064283 AERZYXXCXKXRDF-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB CCCCc1ccc(C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 95633988 ZWPYUXPBROFABV-HOTGVXAUSA-N 286.371 3.879 0 40 CHAB Cc1cc(C)n(-c2cncc(NC3CCCCCCC3)n2)n1 84105311 AICWXMUPBKWNPV-UHFFFAOYSA-N 299.422 3.804 0 40 CHAB Cc1ccc(CNc2ccc3c(c2)OCCO3)c(C)c1 19915996 QAXSBALVXIRKFQ-UHFFFAOYSA-N 269.344 3.687 0 40 CHAB CNCCC1=C([C@@H](C)c2ccccn2)c2ccccc2C1 5141570 DJCOUIHMDYBQRL-AWEZNQCLSA-N 278.399 3.805 0 40 CHAB in-vitro COc1ccc([C@H](O)Cc2ccc(Cl)cc2)cc1 5640108 JWSSKOBICRDDNW-OAHLLOKOSA-N 262.736 3.625 0 40 CHAB COc1ccc2nccc(/C=C/c3ccccc3N)c2c1 13161895 IMIWFRVZBPKXSV-VOTSOKGWSA-N 276.339 3.996 0 40 CHAB C[C@H](NCc1ccco1)C12CC3CC(CC(C3)C1)C2 7519284 AOXHXNXGJDPPBV-ORVZXPRGSA-N 259.393 3.974 0 40 CHAB C[C@H](Nc1cccc(C(N)=O)c1)c1ccccc1Cl 20124877 DNQNTXZRSXXULF-JTQLQIEISA-N 274.751 3.612 0 40 CHAB COc1ccc(C(=O)CCSC)cc1C(F)(F)F 575360354 GONWRSHYEVVKSQ-UHFFFAOYSA-N 278.295 3.650 0 40 CHAB Cc1cccc(NC(=O)c2csc(-c3cccnc3)n2)c1 29047727 TXCHPCLMZFMMMS-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB c1csc(-c2nc(CSC3=NCCS3)co2)c1 40158928 QFWNGMMHUOOUNS-UHFFFAOYSA-N 282.415 3.739 0 40 CHAB CCOc1ccc(N2C(=O)CSC23CCCCC3)cc1 193688 NMBLUEULJYTAMJ-UHFFFAOYSA-N 291.416 3.826 0 40 CHAB Cc1csc(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)n1 21451375 YEXDGRXUOIDYAT-JLLWLGSASA-N 298.477 3.627 0 40 CHAB Cc1noc(C)c1CN(C)Cc1ccc(F)cc1Cl 42132777 OKPXCNSSCFYHMC-UHFFFAOYSA-N 282.746 3.716 0 40 CHAB COc1ccc(-n2nc3ccccc3c2Cl)cc1 159380 BGFPONYYROEFGW-UHFFFAOYSA-N 258.708 3.688 0 40 CHAB Cc1cccc(NC(=O)c2ccc(Br)o2)c1C 311586 BVIYPQWSJUZYSC-UHFFFAOYSA-N 294.148 3.911 0 40 CHAB CC(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 387058 LBBGIZDRANQQPS-UHFFFAOYSA-N 285.372 3.657 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2)c2ccccc2n1 411500 FHTZJEBURRSMFN-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB O=C(O)c1cccnc1SCc1ccc(Cl)cc1 415199 CIEFUJABKKQKBC-UHFFFAOYSA-N 279.748 3.726 0 40 CHAB CC(C)c1ccc(/C=C/C(=O)NCc2ccncc2)cc1 1456904 UGBHKFLFBLSUFR-VMPITWQZSA-N 280.371 3.535 0 40 CHAB CCOC(=O)Nc1nc2sc(C)c(C)c2s1 1512306 BMYADGFYDSOUKO-UHFFFAOYSA-N 256.352 3.543 0 40 CHAB CC1=C[C@H]2[C@@H](c3ccccc3)Nc3ccccc3N2C1=O 1558538 FTURAVHDLMSXIS-DLBZAZTESA-N 276.339 3.515 0 40 CHAB CN1CC[C@@H](C(c2ccccc2)c2ccccc2)C1 1569003 RAMVHYAPKXXGBL-QGZVFWFLSA-N 251.373 3.770 0 40 CHAB Cc1ccccc1NC(=O)COc1ccccc1Cl 2142447 QSLGLEDHKWOLFM-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB Cc1cc(C)c2c(CN3CCC(C)CC3)cc(=O)oc2c1C 2241097 JIEIDDVGKNGOAO-UHFFFAOYSA-N 299.414 3.950 0 40 CHAB biogenic O=C(Nc1cccnc1Cl)c1ccccc1Cl 3141201 PVMURMHEXUQSJM-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB biogenic CC(=O)c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 3510197 FHKLHIVLBYRNDP-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB Nc1nnc(-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 3846912 XGRJQAYOIGAFEN-UHFFFAOYSA-N 297.749 3.518 0 40 CHAB biogenic O=C(O)c1ccccc1SCc1cccs1 4206052 VNEMIQPVWXWVOO-UHFFFAOYSA-N 250.344 3.739 0 40 CHAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1C 4276176 GZCDPCCLICYKOS-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB Cc1cccc(Cl)c1OCCNC(=O)C1CCCCC1 4717839 SRQLFWWPKUGSGV-UHFFFAOYSA-N 295.810 3.724 0 40 CHAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccccc3)o2)c1 5169637 GHBPAOCCTSKSFN-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB O=C1C[C@H](c2ccco2)Cc2c1cnn2-c1ccc(F)cc1 6759297 WPPQKTGIMNNJEY-LLVKDONJSA-N 296.301 3.517 0 40 CHAB Cc1sc(N)nc1-c1ccc(NC(=O)C(C)(C)C)cc1 7278836 INLAYJBSAKDJRM-UHFFFAOYSA-N 289.404 3.685 0 40 CHAB Cc1cccc(NC(=S)NCCc2cccs2)c1C 7559922 GDQNQCWKQADSRT-UHFFFAOYSA-N 290.457 3.894 0 40 CHAB Cc1occc1C(=O)OCc1cc(-c2cccs2)on1 7858291 NHFAHMMXSOJHHI-UHFFFAOYSA-N 289.312 3.662 0 40 CHAB Clc1cccc(CNCc2ccncc2)c1Cl 8418003 NKLCEFJATQARQX-UHFFFAOYSA-N 267.159 3.678 0 40 CHAB C[C@@H]1CCCN(c2ccc(N)cc2C(F)(F)F)C1 8701199 KOUNVVKHAWBBIZ-SECBINFHSA-N 258.287 3.524 0 40 CHAB C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1N 8702536 DARADDOCGJKKFJ-VIFPVBQESA-N 258.287 3.666 0 40 CHAB Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(C(C)C)cc1 10407932 WPTGJDBHSDWVDD-UHFFFAOYSA-N 285.343 3.632 0 40 CHAB CCOC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1C 12766500 VHAQLNSHWIIJOQ-UHFFFAOYSA-N 294.351 3.819 0 40 CHAB O=C(CCCc1cccs1)Nc1ccc(F)cc1 14163008 GWEGKPWJDNKCMC-UHFFFAOYSA-N 263.337 3.849 0 40 CHAB CCN(CC)C(=O)c1cc2c(C)nn(CC(C)C)c2s1 14180970 ODKKHHUJOLCJMB-UHFFFAOYSA-N 293.436 3.544 0 40 CHAB Fc1ccccc1NC(=S)NC[C@@H]1C[C@H]2CC[C@@H]1C2 16450435 HOYMWKCTNPPLKR-TUAOUCFPSA-N 278.396 3.548 0 40 CHAB CC(C)[C@H](C)NCc1ccccc1Br 20305407 IXANXMGBNNYZAF-JTQLQIEISA-N 256.187 3.583 0 40 CHAB CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccccc1 20481378 JMCYNHHDYUKVGK-SFHVURJKSA-N 297.398 3.950 0 40 CHAB COc1ccc([C@@H](N)c2ccccc2)cc1Br 20522143 LFKWMXRUUQRHBU-AWEZNQCLSA-N 292.176 3.506 0 40 CHAB in-vitro Cc1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1 26886670 JAHDMDSZBTUNNJ-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cnn(C(C)(C)C)c2C)c1 32932010 AZRAFDICHBERRP-UHFFFAOYSA-N 285.391 3.816 0 40 CHAB CC[C@H](C)n1c([C@@H](C)O)nc2ccc(Cl)cc21 40407659 UBEVUIKAMMMALH-DTWKUNHWSA-N 252.745 3.714 0 40 CHAB CC[C@H](C)c1ccc(O[C@@H]2CCNC2)c(Br)c1 42774608 RLHMZIYAIYDVCU-CMPLNLGQSA-N 298.224 3.703 0 40 CHAB CC(C)(C)c1ccc(OC2CCNCC2)c(Cl)c1 42775356 DGPMLYHFHXDDTR-UHFFFAOYSA-N 267.800 3.768 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc(F)cc2)c(F)c1 44844696 VDFFWVNKECYZOA-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB C[C@@H](Oc1ccccc1Cl)C(=O)N(C)C1CCCCC1 44880897 QEYNICPICLPPJQ-GFCCVEGCSA-N 295.810 3.898 0 40 CHAB NCc1ccc(-c2nc3ccc(F)cc3s2)cc1 45920036 RTHCHPMANMVPKV-UHFFFAOYSA-N 258.321 3.561 0 40 CHAB CC(C)CCC(=O)Nc1cccc(-c2cnco2)c1 48204911 YGKVSIFNDMMFFD-UHFFFAOYSA-N 258.321 3.716 0 40 CHAB COc1c(Cl)cc(-c2ccccc2)cc1C(=O)O 57339866 BWIIACUETFHVDE-UHFFFAOYSA-N 262.692 3.714 0 40 CHAB Nc1cccc2c1ccn2Cc1ccc(Cl)cc1 71163979 FDVPHESGQMALON-UHFFFAOYSA-N 256.736 3.925 0 40 CHAB CC(C)c1ccc(-c2cc(C3(C(=O)O)CCC3)no2)cc1 72220601 NFFLBBWJBKIAFC-UHFFFAOYSA-N 285.343 3.971 0 40 CHAB CC(C)(CCC(=O)OC(C)(C)C)NCc1cccs1 79051413 LGPOCFNRHSUFBG-UHFFFAOYSA-N 283.437 3.738 0 40 CHAB Cc1ccc([C@H](O)c2ccc(Cl)c(F)c2)s1 84007011 GHKGZDXTBLMJPT-GFCCVEGCSA-N 256.729 3.931 0 40 CHAB C[C@@H](CC(=O)NCCc1cccc(F)c1)C(C)(C)C 84636785 VBNMYUQOXNDIAB-LBPRGKRZSA-N 265.372 3.557 0 40 CHAB CC(C)(C)c1nsc(Oc2ccc(N)cc2Cl)n1 87642258 WPUCWIJBRFURPY-UHFFFAOYSA-N 283.784 3.864 0 40 CHAB in-vitro Nc1nc2ccc(C(F)(F)F)cc2cc1Br 95098187 YWCXNWNTZLVPEE-UHFFFAOYSA-N 291.070 3.598 0 40 CHAB CCOCc1cccc(NCc2cnn(C(C)(C)C)c2)c1 95428998 RZUGWOZDCICNOW-UHFFFAOYSA-N 287.407 3.787 0 40 CHAB c1ccc(CSCc2ccc3c(c2)COC3)nc1 97046904 QESGWEGTQMYKKZ-UHFFFAOYSA-N 257.358 3.545 0 40 CHAB CN(Cc1csc(Br)c1)Cc1ccccn1 104948121 YYFUIRPMQUBOEY-UHFFFAOYSA-N 297.221 3.538 0 40 CHAB CC(C)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225529362 VJWJNOKBBFTUQF-HNNXBMFYSA-N 287.403 3.985 0 40 CHAB CNc1cc(C)c2oc(-c3ccc(F)cc3)nc2c1 226270485 XXYOLMBAYJTFKB-UHFFFAOYSA-N 256.280 3.984 0 40 CHAB Cc1cnc(-c2noc(/C=C3/CC[C@@H](C)C3)n2)s1 333252142 SDLAMXDHLOOIBF-NDVARNPJSA-N 261.350 3.705 0 40 CHAB COc1cc(C(=O)[C@@H](C)Cl)c(Cl)cc1Cl 380048174 WEXVQZPQKRCMJB-RXMQYKEDSA-N 267.539 3.812 0 40 CHAB Oc1cc(C2CC2)nc(SCC2CCCCC2)n1 2086872218 SIJXNVVPZOIAOI-UHFFFAOYSA-N 264.394 3.732 0 40 CHAB Cc1cccc(NCc2ccn(-c3ccccc3)n2)c1 61640852 UNENMMSIOVJFCC-UHFFFAOYSA-N 263.344 3.793 0 40 CHAB CCC1=CC[C@H]2C(=O)[C@@H]3CC(CC)=CC[C@@H]3C(=O)[C@H]2C1 1577897 GOMMMKUEQAMXCG-SYMSYNOKSA-N 272.388 3.863 0 40 CHAB Cc1ccc([C@H]2C[C@H]2c2nc(COC(C)C)no2)s1 95394426 RTHJZTRPLMPESV-WDEREUQCSA-N 278.377 3.636 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1sc(C)nc1C 12593836 RTWXLLUMTMNVML-UHFFFAOYSA-N 296.779 3.674 0 40 CHAB Cc1cc2nc(Nc3nc4ncccc4[nH]3)sc2cc1C 4567262 ZPHMJLBWAIFCDQ-UHFFFAOYSA-N 295.371 3.928 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1ccc(Cl)c(F)c1 43210083 YAZYBNYHCYAUHQ-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB Cc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c(O)c1 10123603 MEJYZJINQXBUNI-MRXNPFEDSA-N 299.395 3.665 0 40 CHAB CCCOc1ccc(NC(=O)c2ccc(N)c(C)c2)cc1 51784967 BYSDIPRNIBEGAH-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)c(C)o1 12730017 XQPWADHGCOOMAC-MRXNPFEDSA-N 269.344 3.874 0 40 CHAB Cc1ccc(OCc2nc(C)cc(Cl)n2)c(C)c1 58043447 JMXWBWPVUPMACH-UHFFFAOYSA-N 262.740 3.634 0 40 CHAB Cc1ccc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1 45951865 ZWOZCAYKSPKENQ-ZBFHGGJFSA-N 290.407 3.712 0 40 CHAB CC1=C[C@@H](C)[C@@H](CN2CCO[C@@H]2C(C)C)[C@H](C)C1 102136232 ZINAYKAEPVIUEM-KLHDSHLOSA-N 251.414 3.539 0 40 CHAB CCOC(=O)c1cccc(C(=O)C2CCCCC2)c1 2514399 MINBUUGOYLHGFS-UHFFFAOYSA-N 260.333 3.626 0 40 CHAB Cc1ccccc1NC(=O)Cc1ccccc1Cl 3481335 MDOGVDHXKNHIFZ-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB Cc1sc2ncnc(N3CCCC[C@H]3C)c2c1C 3568809 BLGKFXIJYTUSTC-SECBINFHSA-N 261.394 3.687 0 40 CHAB CCN(CC)C(=O)Nc1cccc(-c2nccs2)c1 48697692 KDDNQTPGDMPGIE-UHFFFAOYSA-N 275.377 3.684 0 40 CHAB Cc1cccc(NC(=O)N[C@@H](C)c2cccnc2)c1C 13744309 RZKOWEZKHSVKKN-ZDUSSCGKSA-N 269.348 3.581 0 40 CHAB O=C(Nc1cccc(F)c1)c1cnc(Cl)c(Cl)c1 6152394 SWLQKNXFIBMFQY-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB CCN(C(=O)NCc1ccccc1)[C@@H](C)c1cccc(O)c1 49999261 KIKKMWYNTUVAPI-AWEZNQCLSA-N 298.386 3.685 0 40 CHAB CCc1ccccc1NC(=S)N1CCCCCC1 13827752 JFNOCHPMEYADCP-UHFFFAOYSA-N 262.422 3.822 0 40 CHAB CC[C@@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 13958011 VKTKPHRJSNJMIZ-CYBMUJFWSA-N 279.343 3.695 0 40 CHAB COc1ccccc1O[C@@H](C)CN[C@H](C)c1ccccc1 19737862 GOELAECIDCMZCB-LSDHHAIUSA-N 285.387 3.813 0 40 CHAB CC(C)=CC(=O)Nc1nc2c(C)cc(C)cc2s1 19794064 YZWPDSXSRCLVII-UHFFFAOYSA-N 260.362 3.818 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1F 9364688 RTDCNLLOQNWWLM-UONOGXRCSA-N 299.345 3.885 0 40 CHAB Cc1ccc2c(CC(=O)NCC3CCCCC3)coc2c1 7238864 TZURJSSYXFXAOB-UHFFFAOYSA-N 285.387 3.980 0 40 CHAB C[C@@H](NC(=O)c1ccccc1Br)c1ccco1 7741279 VSJQMRSQKHLMRT-SECBINFHSA-N 294.148 3.533 0 40 CHAB Cc1cnccc1NC(=O)[C@@H](C)SCc1ccccc1 69736988 MKWCKLBDRRNFGF-CYBMUJFWSA-N 286.400 3.650 0 40 CHAB O=C(O)c1ccc(CNc2nccc3ccccc23)cc1 96847021 RAFIMPAMXZJQHT-UHFFFAOYSA-N 278.311 3.545 0 40 CHAB CCOC(=O)CCN(C(=O)CCC1CCCC1)C(C)(C)C 95997588 OWKRAKGDCYXBQM-UHFFFAOYSA-N 297.439 3.537 0 40 CHAB CCCCc1nc(COc2cccnc2C(C)(C)C)no1 89954866 YCESIFKSQXWGAB-UHFFFAOYSA-N 289.379 3.684 0 40 CHAB NC(=O)CCc1ccc(-c2cccc(Cl)c2Cl)o1 216924463 OFYRSWPEGZAMCU-UHFFFAOYSA-N 284.142 3.671 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 38754677 XFFZELDGAVNZIC-ZFWWWQNUSA-N 277.408 3.684 0 40 CHAB COc1ccc(CNC(=O)c2c(C)cc(C)cc2C)cc1 121039416 UNPHQXRXTSVCPD-UHFFFAOYSA-N 283.371 3.550 0 40 CHAB O=C(NCc1ccc(F)cc1F)Nc1c(F)cccc1F 335964253 SCGYJSJPBJTKRB-UHFFFAOYSA-N 298.239 3.565 0 40 CHAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)C(C)C)cc1 225230198 COZWPUVUBSFFDW-CJNGLKHVSA-N 277.408 3.567 0 40 CHAB CCC(CC)NC(=S)Nc1ccc(OC(C)C)cc1 225801537 GNZCZKXXMTVCDP-UHFFFAOYSA-N 280.437 3.949 0 40 CHAB CC[C@H](C)[C@@H](C)NC(=O)c1cc(F)c(F)cc1Cl 48331651 VCXUSMYUAMIPIS-JGVFFNPUSA-N 275.726 3.783 0 40 CHAB Cc1ccc(CCCNC(=O)c2ccc(C)c(C)c2)cc1 223363787 SOSZRDLJAKYPCE-UHFFFAOYSA-N 281.399 3.974 0 40 CHAB Cc1ccc(C[C@@H](Sc2ccccc2)C(=O)O)cc1 225021257 PSWPUSKIWBFODW-OAHLLOKOSA-N 272.369 3.783 0 40 CHAB O=C(c1cc2ccccc2o1)c1cc(F)ccc1F 20362294 NDZQMLRWMQQURC-UHFFFAOYSA-N 258.223 3.942 0 40 CHAB CCNc1cccc(-c2cc3ccccc3oc2=O)c1 226285175 ZOJWPIIKRUMHOK-UHFFFAOYSA-N 265.312 3.892 0 40 CHAB C[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 199492221 MMVUDSFPAHIXHE-LBPRGKRZSA-N 250.301 3.888 0 40 CHAB Cc1c(Cl)cccc1C(=O)CC(C)(C)CC(=O)O 95634082 FPKQCUQJMVFWEV-UHFFFAOYSA-N 268.740 3.722 0 40 CHAB CCSc1ccc([C@@H](O)c2ccsc2)cc1 95728053 OSGOBWZISLMEIB-CYBMUJFWSA-N 250.388 3.942 0 40 CHAB Cc1ccccc1Nc1nc2ccc(CC(=O)O)cc2o1 90694223 QLHBVRZVXNLWKP-UHFFFAOYSA-N 282.299 3.507 0 40 CHAB CCc1ccccc1C(=O)CC1(CC(=O)O)CCCC1 95634286 PHXBMLOQQBKYPW-UHFFFAOYSA-N 274.360 3.857 0 40 CHAB FC(F)c1ccc2ccc(Br)cc2n1 575629530 ZRMVUJUSCZNMHX-UHFFFAOYSA-N 258.065 3.935 0 40 CHAB C[C@@H](Cl)C(=O)c1ccc2c(c1)Cc1cccnc1O2 215143372 JGBGIEPSSRGFBG-SECBINFHSA-N 273.719 3.588 0 40 CHAB CC(=O)O[C@@H]1CSc2sc(=S)sc2S1 5378769 PQGYKWPFXVZYFW-BYPYZUCNSA-N 282.458 3.626 0 40 CHAB CC(C)CC(CC(C)C)OC(=O)[C@@H](O)c1ccccc1 5715565 HQXIGSYJQXZGHA-INIZCTEOSA-N 278.392 3.724 0 40 CHAB CCc1ccc(NC(=O)N[C@H](C)c2cccnc2)cc1 13744336 MYHZDNJMSXAAJI-GFCCVEGCSA-N 269.348 3.527 0 40 CHAB CCN(CC)CCNCc1ccc(-c2ccc(F)cc2)o1 19872521 QVKMLSFTEDTHLE-UHFFFAOYSA-N 290.382 3.517 0 40 CHAB CC(=O)Nc1ccc(Nc2cc(C(C)(C)C)nc(C)n2)cc1 1888860247 ZWGOPNHRZCUNBP-UHFFFAOYSA-N 298.390 3.785 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)c1ccccc1 5425541 MGTKYWUYUWCORT-AWEZNQCLSA-N 269.369 3.654 0 40 CHAB C[C@H]1CCCCN1C(=O)Nc1ccccc1Br 13746092 QKJLRLQAYBRKFX-JTQLQIEISA-N 297.196 3.855 0 40 CHAB CCSc1ccc(C(=O)Nc2nccs2)cc1 4585861 APTYVWPMARQQMY-UHFFFAOYSA-N 264.375 3.507 0 40 CHAB Clc1cccnc1SCc1nnsc1Cl 40493683 KUCIHCLGDHEGJL-UHFFFAOYSA-N 278.189 3.532 0 40 CHAB Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H](C)C1 32772242 GNIROSBDNVMHDW-JTQLQIEISA-N 290.388 3.584 0 40 CHAB COc1ccc([C@H]2CCCCCN2C(=O)C2CC2)cc1 32823496 YKSWEVNEOWMFIX-MRXNPFEDSA-N 273.376 3.549 0 40 CHAB O=C(CC[C@H]1CCCC1=O)c1ccc(Br)cc1 535046 LZNNCLWEKVJGIS-SNVBAGLBSA-N 295.176 3.781 0 40 CHAB COc1ccccc1/C=C1\C(=O)Nc2cc(Cl)ccc21 33329008 NWRQKBPCIUFYGP-JYRVWZFOSA-N 285.730 3.841 0 40 CHAB C[C@@H]1CCCCN1Cn1nc(-c2ccccc2)oc1=S 74177 YZQARGPSRQHAFX-GFCCVEGCSA-N 289.404 3.704 0 40 CHAB Cc1cccn2cc(-c3cccc(NC(=O)C(C)C)c3)nc12 203138 KJJMTIDZHZFTCD-UHFFFAOYSA-N 293.370 3.904 0 40 CHAB COc1ccc(CCC(=O)c2ccc(OC)cc2)cc1 481598 RBUUTPKKWGVWCJ-UHFFFAOYSA-N 270.328 3.519 0 40 CHAB biogenic COc1ccccc1/C=C1/C(=O)Nc2cc(Cl)ccc21 573347 NWRQKBPCIUFYGP-MDWZMJQESA-N 285.730 3.841 0 40 CHAB Cc1nc(SCc2ccccc2)nc2c1CCC2 582895 CJHXONWKMUNSNA-UHFFFAOYSA-N 256.374 3.566 0 40 CHAB O=c1c2ccccc2cnn1-c1ccc(Cl)cc1Cl 1391332 JGJOUVXWWNCONA-UHFFFAOYSA-N 291.137 3.693 0 40 CHAB Cc1ccc(CNC(=S)Nc2ccccc2C)cc1 1403846 OOQWHFFISGNNHS-UHFFFAOYSA-N 270.401 3.790 0 40 CHAB CSc1cc2c(cc1NC(C)=O)Cc1ccccc1-2 1701583 DNBCTRLQDISFJV-UHFFFAOYSA-N 269.369 3.938 0 40 CHAB CSc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 1739742 FTFAPTOGIUMGDF-GFCCVEGCSA-N 287.384 3.815 0 40 CHAB CCC[C@H](C(=O)Nc1nccs1)c1ccccc1 3549588 KRNHCKIPCBIEBV-LBPRGKRZSA-N 260.362 3.666 0 40 CHAB COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1F 3757844 PLCYAZSLXANIBY-UHFFFAOYSA-N 297.285 3.748 0 40 CHAB O=C(Nc1ccccc1Br)[C@@H]1C[C@H]2CC[C@@H]1C2 4997235 QEYVKPIUSUXVTC-HBNTYKKESA-N 294.192 3.824 0 40 CHAB Cc1cccc(NC(=O)CCC(=O)c2ccccc2)c1 5704072 LTMMPGSTYVLYMK-UHFFFAOYSA-N 267.328 3.597 0 40 CHAB Cc1nc(-c2c(C)oc3cc(O)cc(C)c3c2=O)cs1 5730271 NJVMUHKSMDVLQG-UHFFFAOYSA-N 287.340 3.547 0 40 CHAB biogenic Cc1ccc(NC(=O)OCc2cnc(Cl)s2)cc1 6212965 NDUMYOUZQRKDSO-UHFFFAOYSA-N 282.752 3.854 0 40 CHAB Cc1cccc2c1C[C@@]1(C2)Cc2c(C)cccc2C1=O 6491393 NUTHRUHEUNVISX-IBGZPJMESA-N 262.352 3.827 0 40 CHAB Cc1cc(C)cc(NC(=S)Nc2cccnc2)c1 6571471 BSBGDKGXCVLUAC-UHFFFAOYSA-N 257.362 3.507 0 40 CHAB Cc1c(C(=O)Nc2nccs2)oc2ccc(F)cc12 8394824 OHLBPRYOAHRHJX-UHFFFAOYSA-N 276.292 3.589 0 40 CHAB CC(C)(C)C(=O)NC(=S)Nc1cccc2ccccc12 8556032 MKKQJYMYQRJNCE-UHFFFAOYSA-N 286.400 3.699 0 40 CHAB COCc1c(C(=O)Nc2cccc(C)n2)oc2ccccc12 9218695 LZODZQYQXLMQEO-UHFFFAOYSA-N 296.326 3.535 0 40 CHAB CC(=O)Nc1ccccc1OCCOc1c(C)cccc1C 9513972 JRBOSYXUMIASIV-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 9816754 PUEULYHDHQHWAG-CQSZACIVSA-N 299.370 3.800 0 40 CHAB COc1ccccc1NC(=O)/C=C/c1cccc(C)c1 10025864 NVGMIZOYUFJHJV-ZHACJKMWSA-N 267.328 3.656 0 40 CHAB Cc1cccc(NC(=O)c2cn3c(C)cccc3n2)c1C 12531398 IHKRPNNARMXFGN-UHFFFAOYSA-N 279.343 3.512 0 40 CHAB O=C(Nc1cccc2ncccc12)c1ccc(F)c(F)c1 13018714 XOJLZRKXYFYFRX-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB O=C(NCCCc1ccc(F)cc1)c1ccc(Cl)cc1 13648532 QKNSZOAMJCFTMP-UHFFFAOYSA-N 291.753 3.842 0 40 CHAB O=C(O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1 13671702 GVMPFDAQXKKAHY-SFHVURJKSA-N 292.334 3.915 0 40 CHAB Brc1ccc2oc(-c3cc[nH]n3)cc2c1 14808178 JSTSFIZUERTPFM-UHFFFAOYSA-N 263.094 3.585 0 40 CHAB Cc1ccccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 15520270 IXRRFUYVZBCYEO-UHFFFAOYSA-N 294.358 3.573 0 40 CHAB Cc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1C 16211949 FFKIOYGCRMVTLW-GUTXKFCHSA-N 274.433 3.778 0 40 CHAB O=C(/C=C\c1ccccc1)Nc1ccc(Cl)cc1 17021669 LSOIYQMAEOVIGQ-WDZFZDKYSA-N 257.720 3.992 0 40 CHAB C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 18142456 ULXVRCZTNAIDOX-GASCZTMLSA-N 295.382 3.603 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1 19399095 LAZCOHKAMVKRIL-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB COc1ccc2oc(-c3cc(N)ccc3Cl)nc2c1 20156619 LZPNOLROAPVTSC-UHFFFAOYSA-N 274.707 3.739 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2F)c(C)c1 20457011 FYIXZUUJXLSMSM-CYBMUJFWSA-N 271.335 3.934 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)Cc1ccccc1Cl 20885906 UBFBVMUCELTCIK-LBPRGKRZSA-N 285.774 3.860 0 40 CHAB CC[C@@H](CNC(=O)c1sccc1C)c1ccccc1 21704165 AKCOQCJRDKAOJS-ZDUSSCGKSA-N 273.401 3.980 0 40 CHAB COc1ccc(N)cc1NC(=O)c1cccc2ccccc12 22238945 MBSNCRMGAWLWFP-UHFFFAOYSA-N 292.338 3.683 0 40 CHAB Cn1ccc(NC(=O)c2sc3ccccc3c2Cl)n1 22475702 PYAJUINKQNYHAW-UHFFFAOYSA-N 291.763 3.541 0 40 CHAB CCC(=O)Nc1ccc(SCc2cccnc2)cc1 23175253 NBTNWYMMUXMXPH-UHFFFAOYSA-N 272.373 3.722 0 40 CHAB Cc1cccc(COc2ccccc2C(=O)NCC2CC2)c1 26207564 MWSXUUOZCYGCAK-UHFFFAOYSA-N 295.382 3.714 0 40 CHAB Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c(C)o1 28225657 JGDAEINQZOMRBQ-QMMMGPOBSA-N 290.388 3.730 0 40 CHAB COc1cc(-c2nc(-c3ccccc3OC)cs2)ccn1 30447480 SYBWDIFTXNAEJE-UHFFFAOYSA-N 298.367 3.889 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC(c2ccccc2)CC1 32908297 HEMHSSZVBDDDIP-QGZVFWFLSA-N 269.388 3.749 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCCC[C@H]1C 32968946 XSGWOWWFMUJJQT-GFCCVEGCSA-N 284.359 3.665 0 40 CHAB CCC[C@H](C)N(C)C(=O)c1cnc(Cl)c(Cl)c1 35239227 DHFIYBFLBWEFAM-QMMMGPOBSA-N 275.179 3.649 0 40 CHAB CCc1cc(=O)[nH]c(-c2ccc(-c3ccccc3)cc2)n1 36755314 ORPYQDIRQQFHMN-UHFFFAOYSA-N 276.339 3.666 0 40 CHAB Cc1ccc(F)cc1NC(=O)N[C@H]1CCCC[C@H]1C 40023832 LQXDDDMUTZMUJX-MFKMUULPSA-N 264.344 3.834 0 40 CHAB Cc1cc(F)ccc1NC(=O)N(Cc1ccccn1)C1CC1 40526605 ZGNYGXNUVGZIGJ-UHFFFAOYSA-N 299.349 3.726 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@H](C)COc2ccccc2)c1 55731191 JLYPLQTVXGEYFR-OAHLLOKOSA-N 283.371 3.501 0 40 CHAB Cc1nc2ccc(Br)nc2n1CCC(C)C 66339867 AMRIOZXWYHKJTD-UHFFFAOYSA-N 282.185 3.548 0 40 CHAB O=C(Nc1ccc2[nH]ccc2c1)N1CCCCCCC1 71803338 VTRUKNGEEWBFEA-UHFFFAOYSA-N 271.364 3.966 0 40 CHAB CN1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72357513 YTACZXAEFUUTDZ-QGZVFWFLSA-N 270.351 3.578 0 40 CHAB CC1(C)CC[C@H](NC(=O)c2cscn2)c2ccccc21 78482962 SLRDDCPOGSAYES-ZDUSSCGKSA-N 286.400 3.686 0 40 CHAB O=C(C[C@H]1CCCN1C(=O)c1ccsc1)c1ccccc1 85482069 MDOCCPDGRVUOOZ-OAHLLOKOSA-N 299.395 3.626 0 40 CHAB Cc1cccc(COc2c(CO)ccc(C)c2C)c1 95095207 HTJAJHPVSCXLLI-UHFFFAOYSA-N 256.345 3.683 0 40 CHAB CCc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCCOC2)cc1 96003139 WTRTZUAMIRKDFU-GRDNDAEWSA-N 261.409 3.715 0 40 CHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCC(C)C 113951026 QVKGUZMEEJQMAA-KRWDZBQOSA-N 285.387 3.769 0 40 CHAB COc1c(Br)cc(C(C)(C)C)cc1C=O 214778568 GDSLTYJGOKDRHR-UHFFFAOYSA-N 271.154 3.568 0 40 CHAB Cc1cc(NCCCN)c2c(Cl)cc(Cl)cc2n1 222689583 PVBXQXKKIRJZJQ-UHFFFAOYSA-N 284.190 3.611 0 40 CHAB CCN1CCC2(CC1)CC(=O)c1c(ccc3ccccc13)O2 225824153 NBMKVLHZYORKPL-UHFFFAOYSA-N 295.382 3.660 0 40 CHAB C[C@H](C(=O)Nc1ccccc1)n1cc(-c2ccccc2)cn1 227165809 ZPQVBXSWJOQMTP-CQSZACIVSA-N 291.354 3.750 0 40 CHAB CC[C@@H](C)C(=O)c1ccc(OC(F)(F)F)c(F)c1 575360807 OOFCILOUMRAEFI-SSDOTTSWSA-N 264.218 3.953 0 40 CHAB CC(C)C(=O)NCc1cc(-c2ccsc2)cs1 1775969943 SWQFTZTYSQWJDJ-UHFFFAOYSA-N 265.403 3.749 0 40 CHAB CC1(C)CC2(CN(C(=O)c3ccccc3Cl)C2)C1 1775972003 RSUADCXXHZDAID-UHFFFAOYSA-N 263.768 3.602 0 40 CHAB Cc1cc(C)c(-c2[nH]c(C=O)nc2Br)c(C)c1 1857794941 XZPGIRHOZBANMS-UHFFFAOYSA-N 293.164 3.577 0 40 CHAB C[C@]12CC[C@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2038441022 WMEBIWWUBWHAOJ-XCBYOTJYSA-N 291.479 3.717 0 40 CHAB CCc1ccccc1NC(=O)COc1ccc(C)c(C)c1 44481 FECISFWJAHPGRS-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CC(C)=CCCc1cc(C(=O)O)c2ccccc2n1 51135 VNMZEMJWKLSJAX-UHFFFAOYSA-N 255.317 3.832 0 40 CHAB Cc1nc2c(-c3ccc(Cl)cc3)cnn2c2c1CCC2 1390381 LEFMWIRVZAQPMC-UHFFFAOYSA-N 283.762 3.847 0 40 CHAB O=C(NC1CCCCC1)c1c2c(nc3ccccc13)CCC2 3437218 RJRIKGRJHSEXBY-UHFFFAOYSA-N 294.398 3.786 0 40 CHAB CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 4677098 BCFLIXSLOJALTL-UHFFFAOYSA-N 269.388 3.866 0 40 CHAB CCOC(=O)c1cc(/C=C\c2cccc(Cl)c2)on1 5567810 LWUPPRSYPIHDGC-SREVYHEPSA-N 277.707 3.675 0 40 CHAB CCOP(=O)(OCC)[C@](C)(O)c1cccc(Cl)c1 5905500 DPGMEBJJXHCCEU-LBPRGKRZSA-N 292.699 3.771 0 40 CHAB Cc1ccc2c(c1)[C@@H](O)C[C@@H](C)N2C(=O)c1ccc(F)cc1 6846789 IHVUOLUXQVHPGH-PXAZEXFGSA-N 299.345 3.607 0 40 CHAB O=C1CC2(CCCCC2)C(=O)N1Cc1ccc(Cl)cc1 6850580 KLEGAOQPYXCSLT-UHFFFAOYSA-N 291.778 3.549 0 40 CHAB Cc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)o1 9447136 BCUMDKXZNZQXNN-ZDUSSCGKSA-N 263.362 3.777 0 40 CHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)c1cccnc1 10262214 GJRMHAUTOYGYEO-JTQLQIEISA-N 275.739 3.618 0 40 CHAB CC(=O)c1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1 12906566 LEBSLYRGEZNHQI-SFHVURJKSA-N 293.366 3.948 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1Cl 13331880 STYNYUDLESLZJV-NSHDSACASA-N 289.766 3.926 0 40 CHAB CC[C@H](NC(=O)N[C@H](C)CC)c1ccc(C)cc1C 13745628 AOKBCXSLXGRHMD-HIFRSBDPSA-N 262.397 3.852 0 40 CHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CC(=O)C[C@@H]12 13834653 WDSIJVKJXHSMCM-MVDPCMTMSA-N 290.447 3.959 0 40 CHAB in-vitro O=C(Nc1cccc(C(F)(F)F)c1)c1ccoc1 18185383 ALCYZWSGNNRMMM-UHFFFAOYSA-N 255.195 3.551 0 40 CHAB COc1cc2c(cc1OC)[C@H](/C=C/c1ccccc1)NCC2 20113672 KGEKIHDPYHWCFB-IJDCCNJMSA-N 295.382 3.604 0 40 CHAB biogenic c1ccc(-c2nc(Nc3ncccn3)nc3ccccc23)cc1 20799838 KUHLTCCIPWUDPY-UHFFFAOYSA-N 299.337 3.830 0 40 CHAB COc1ccc(OC(=O)c2cc(-c3ccccc3)on2)cc1 21785920 MTRZWDNBBSSURH-UHFFFAOYSA-N 295.294 3.569 0 40 CHAB CCOP(=O)(OCC)[C@@H](N)c1ccc(Cl)cc1 25501048 CLTNPSYRMWSMNP-LLVKDONJSA-N 277.688 3.563 0 40 CHAB CC[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 27150232 VRHNTXCSPHERLD-CQSZACIVSA-N 284.403 3.749 0 40 CHAB CSc1cccc(NC(=O)OCC(F)(F)F)c1 32628738 SDNLKHOWKPXPKJ-UHFFFAOYSA-N 265.256 3.519 0 40 CHAB CCC(=O)N[C@H](c1ccccc1)c1ccc(C)c(C)c1 32986204 YXGNIJSJPUESQG-GOSISDBHSA-N 267.372 3.919 0 40 CHAB Clc1nsnc1N1CCC(Cc2ccccc2)CC1 35232158 MOWFFVHZJFJEIV-UHFFFAOYSA-N 293.823 3.651 0 40 CHAB Nc1c(N=O)c(-c2ccccc2)nn1-c1ccccc1 35572238 PKKUYVVNHSWUPZ-UHFFFAOYSA-N 264.288 3.519 0 40 CHAB Cc1ccc(Cn2cccc2CNCC(C)C)cc1 37696324 PLERRMWWSAYOQT-UHFFFAOYSA-N 256.393 3.590 0 40 CHAB Nc1n[nH]c(C2CC2)c1-c1ccc(Cl)c(Cl)c1 41387024 ADFTZGWUXIAAKA-UHFFFAOYSA-N 268.147 3.843 0 40 CHAB Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)s1 44890190 IODSOIIHUBVOLW-JTQLQIEISA-N 292.379 3.732 0 40 CHAB Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 48782738 UBXVRMNEFHFGIC-MNOVXSKESA-N 286.297 3.697 0 40 CHAB C[C@@H](Sc1nc2ncccn2n1)c1cccc(Cl)c1 48834352 BPXSZYKXAMRTQT-SECBINFHSA-N 290.779 3.631 0 40 CHAB O=C(c1ccccc1)c1cccc(NC(=O)C2CCC2)c1 58168875 WKZWQNKJVIBEHN-UHFFFAOYSA-N 279.339 3.656 0 40 CHAB Cc1ccc(CNCc2cc(F)cc(F)c2)cc1F 67120108 JPABQGRRIYKFLR-UHFFFAOYSA-N 265.278 3.702 0 40 CHAB C[C@H](Cc1nc(C2CC2)cs1)n1cc(Cl)cn1 68945790 HNNKZTOLOCRBJH-MRVPVSSYSA-N 267.785 3.674 0 40 CHAB OC[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 70452969 QVAVWXHBHQQTOB-CYBMUJFWSA-N 274.191 3.513 0 40 CHAB O=C(O)[C@@H]1C[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 70453041 YBTNQUVYWRSSOW-WDEREUQCSA-N 262.692 3.788 0 40 CHAB Cc1cc(N)cc2nc(Cc3ccc(Cl)cc3)oc12 70461480 HZKFLQCEGNJUNB-UHFFFAOYSA-N 272.735 3.963 0 40 CHAB CCCCN1CCCC[C@H]1c1ccc(N(C)CC)nc1 72212741 LAYBPLYXAQKWOF-INIZCTEOSA-N 275.440 3.865 0 40 CHAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1NC(C)(C)C 72222923 ZDRFKMKDEPKSKT-UHFFFAOYSA-N 293.411 3.625 0 40 CHAB CC[C@@H](N)c1cnc(N(C)c2ccccc2)cc1C 72223350 BBKILCAZJVBQEK-OAHLLOKOSA-N 255.365 3.568 0 40 CHAB COc1cccc(C(=O)NC(C)(C)CC(C)(C)C)c1OC 74394152 FXDNQNSXVLVOSJ-UHFFFAOYSA-N 293.407 3.648 0 40 CHAB CC(C)n1cc([C@@H](C)NC[C@@H](C)c2cccs2)cn1 95422760 VHAKQNZQLUUHTP-CHWSQXEVSA-N 277.437 3.980 0 40 CHAB Cc1cc(Cl)c(C(=O)N2CCCC[C@H]2C(C)C)cn1 95428278 XWMCGHQBSYBNSB-AWEZNQCLSA-N 280.799 3.694 0 40 CHAB CCc1ccccc1C(=O)c1cc(F)c(F)cc1F 95916898 GPSIJWNXGNSWSM-UHFFFAOYSA-N 264.246 3.897 0 40 CHAB Cc1nc(NC(=O)N2CCC[C@@H]2C2CCCCC2)oc1C 95955729 YZZQRZGKYFGFGL-CQSZACIVSA-N 291.395 3.868 0 40 CHAB CC[C@H](C)n1nccc1NC(=O)Nc1cccc(OC)c1 95987474 RRSUNVDKSPEEDV-NSHDSACASA-N 288.351 3.507 0 40 CHAB O=[S@@](Cc1ccccc1Cl)c1cccs1 96482602 FEAQKJWHSYCJFL-OAHLLOKOSA-N 256.779 3.709 0 40 CHAB Cc1ccc([C@H](C)N[C@@H](C)C[C@H](O)c2cccs2)o1 97022802 JHFUIFVJLHGYIY-DRZSPHRISA-N 279.405 3.812 0 40 CHAB Clc1ccc2c(Cl)nc(-c3cccnc3)nc2c1 217440524 CIERAGQXVXIGCR-UHFFFAOYSA-N 276.126 3.999 0 40 CHAB COc1ccc(Cc2nc3cc(C)ccc3o2)cc1OC 228953600 XUAJAIYFDIAHRC-UHFFFAOYSA-N 283.327 3.744 0 40 CHAB Cc1cc(NC(=O)/C=C/OC(C)C)ccc1Cl 255187274 CKSPENYTQYVQOD-VOTSOKGWSA-N 253.729 3.526 0 40 CHAB COC(=O)[C@H](C)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260619608 OPWNEBZMJUILNU-OLZOCXBDSA-N 275.392 3.649 0 40 CHAB CCCC[C@@H]1OC[C@@]2(COC(C)=O)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 504217293 PTOBLQWYQHCBCQ-IAVJCBSLSA-N 294.435 3.973 0 40 CHAB biogenic Cc1ccc(C(=O)c2nsc(Cl)c2Cl)cc1 100118 SXTQXFBHSMASFX-UHFFFAOYSA-N 272.156 3.989 0 40 CHAB Cc1ccccc1CNC[C@@H](O)c1ccc(OC(C)C)cc1 72286595 SCGBRXQVOHNYQJ-LJQANCHMSA-N 299.414 3.605 0 40 CHAB N=C(N)c1ccc(-c2ccc(-c3ccccc3)o2)cc1 1758871 ZKRYORDLSYCKBS-UHFFFAOYSA-N 262.312 3.898 0 40 CHAB CCCCN(CC)C[C@H](O)COc1ccccc1C(C)C 3344854 LTYIDVOKOVSMMW-INIZCTEOSA-N 293.451 3.672 0 40 CHAB CCN(CC)CCCNc1nc(-c2ccccc2)cs1 4188905 HMVGDRKLKJRALA-UHFFFAOYSA-N 289.448 3.954 0 40 CHAB Cc1ccccc1NC(=O)c1ccc([C@H]2CCCN2)s1 23581902 RYPCQZSUXBIJFZ-CYBMUJFWSA-N 286.400 3.733 0 40 CHAB O=c1c2ccccc2sn1-c1nc2ccccc2s1 3207261 AFZGIXXHGWBHHD-UHFFFAOYSA-N 284.365 3.662 0 40 CHAB CCC[C@@H](C)NC(=O)c1ccccc1C(F)(F)F 28210679 SUVGEWIHVLGSBW-SECBINFHSA-N 259.271 3.624 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ccccn1 57810729 OJNXKUHQYKXBTM-GFCCVEGCSA-N 294.420 3.573 0 40 CHAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1 3370346 SQWSZDVBIYJYAI-LLVKDONJSA-N 282.368 3.787 0 40 CHAB CCC(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120044 SCJHKPBTJKVGMR-UHFFFAOYSA-N 280.327 3.767 0 40 CHAB COc1ccccc1/C=C/C(=O)Nc1c(F)cccc1F 10127345 YBBMAKNMQIGPMA-MDZDMXLPSA-N 289.281 3.625 0 40 CHAB O=C(c1ccoc1)N1CCCc2cccc(Cl)c21 171354992 BFEYNSYUXYYWQN-UHFFFAOYSA-N 261.708 3.526 0 40 CHAB COC(=O)c1cccc(OCc2nc3ccccc3s2)c1 12995433 INMSPOOFOBVXDO-UHFFFAOYSA-N 299.351 3.662 0 40 CHAB COCc1c(C(=O)N2CCCC[C@@H]2C)oc2ccccc12 9313582 HONNIJXHEYPJEA-LBPRGKRZSA-N 287.359 3.594 0 40 CHAB CSCc1ccc(C(=O)Nc2ccc(F)cc2C)o1 9451774 YYFKDDIJORJZKS-UHFFFAOYSA-N 279.336 3.842 0 40 CHAB CCOc1ccccc1C(=O)N1CCCc2ccccc21 5593127 ZEAIWVSJNDHHQH-UHFFFAOYSA-N 281.355 3.678 0 40 CHAB Cc1cccc(NC(=O)c2ccc(F)cc2F)c1C 5558544 SWKCHKSSLDXHEO-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB COc1cc(Cl)ccc1C(=O)N(C)Cc1ccc(C)o1 67129022 DAYUWGSUKNRYBM-UHFFFAOYSA-N 293.750 3.522 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)NCCSC(C)(C)C 66739600 MBTVONAOLIYSDB-GFCCVEGCSA-N 297.489 3.815 0 40 CHAB O=C(/C=C/c1c(Cl)cccc1Cl)n1cccn1 5943729 KDLGHVSTWMULOV-AATRIKPKSA-N 267.115 3.544 0 40 CHAB CC(=O)Nc1cccc(C(=O)OC/C=C/c2ccccc2)c1 7706931 SOTBYOJOYBOXOL-RMKNXTFCSA-N 295.338 3.515 0 40 CHAB CC[C@@H](NC(=O)C1CCC(=O)CC1)c1cccc(Cl)c1 73693380 RXKDAQOIMUKBOK-OAHLLOKOSA-N 293.794 3.667 0 40 CHAB CC[C@@H](NC(=O)COc1ccccc1C)c1ccccc1 20460725 NOSIYJZTIGIHSQ-MRXNPFEDSA-N 283.371 3.641 0 40 CHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1Cl 29799325 XTNOHZREMMNMSE-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB Cc1nc2cc(NC(=O)N(C(C)C)C(C)C)ccc2o1 409127291 CICXWWJSICCZDU-UHFFFAOYSA-N 275.352 3.787 0 40 CHAB CCCN1C(=O)S/C(=C\c2cccc(OCC)c2)C1=O 409338367 IRZTYGSMXSSGBZ-RAXLEYEMSA-N 291.372 3.532 0 40 CHAB O=Cc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 33420340 PJGGAJIOUZXLLJ-UHFFFAOYSA-N 257.676 3.961 0 40 CHAB Nc1ccc2c(N)c(OC(=O)Nc3ccccc3)ccc2c1 3844707 BUNKLKPVJCLXDA-UHFFFAOYSA-N 293.326 3.615 0 40 CHAB biogenic Cc1cc(C(=O)c2ccccc2)cnc1NC(C)(C)C 72222925 UVHOKRHDRCRXIT-UHFFFAOYSA-N 268.360 3.831 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 71384778 RWEXNDCZHBBNIS-MISXGVKJSA-N 263.768 3.567 0 40 CHAB Cc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1Cl 226273149 ONBHGHPGTWRBHE-LLVKDONJSA-N 289.762 3.954 0 40 CHAB Cc1ccc(CSCC(=O)NCC2CCCCC2)cc1 223400365 JDLAVKGVVGPYBS-UHFFFAOYSA-N 291.460 3.925 0 40 CHAB O=Cc1ccc(F)cc1OCc1ccc(Cl)cc1 95738870 FBYWUYBRNXUKSH-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB CC(C)[C@@H]1COC2(CCN(Cc3cccs3)CC2)C1 96047899 QPMSFUGQSTYCKY-AWEZNQCLSA-N 279.449 3.775 0 40 CHAB CCC[C@H](O)c1ccc(OC(F)(F)F)c(F)c1 95740159 ODFKAWBEWBVQAK-VIFPVBQESA-N 252.207 3.558 0 40 CHAB CCc1c(C)nc2ccccc2c1NC(=O)c1ncoc1C 97103501 LMJDCYYTQUWREU-UHFFFAOYSA-N 295.342 3.654 0 40 CHAB COc1cccc(CC(=O)N2CCCCc3ccccc32)c1 40133934 FCEFHPFMWAGOCT-UHFFFAOYSA-N 295.382 3.607 0 40 CHAB Fc1ccc(F)c(NCc2noc(-c3ccccc3)n2)c1 75094717 PQSKHOXXEFXIFB-UHFFFAOYSA-N 287.269 3.627 0 40 CHAB Fc1ccc(C2CCN(Cc3ccncc3)CC2)cc1 12113953 LNBLZVDGULAKKG-UHFFFAOYSA-N 270.351 3.600 0 40 CHAB CC1CCN(CCC(=O)c2ccc(Cl)cc2)CC1 1598703 KLCBGXAILJWLMK-UHFFFAOYSA-N 265.784 3.645 0 40 CHAB Cc1noc(C)c1COC(=O)c1ccc2[nH]c(C)c(C)c2c1 5966255 KMGNCILNOYAWLU-UHFFFAOYSA-N 298.342 3.747 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1F 14246175 RJBMRDNBYHDTEL-JTQLQIEISA-N 293.288 3.903 0 40 CHAB CC[C@@H](Oc1ccc(Cc2ccccc2)cc1)C(=O)O 13609235 HUQUPIBASYRNCT-MRXNPFEDSA-N 270.328 3.519 0 40 CHAB CCCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 40946596 RBVMBKFBKVIDPL-ZDUSSCGKSA-N 277.408 3.668 0 40 CHAB O=C(O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 13413185 ASRYFEOFAZJIIW-UHFFFAOYSA-N 296.244 3.983 0 40 CHAB CCOC(=O)c1cccnc1Sc1ccc(F)cc1 32826073 RQPQVQDRKCYKBT-UHFFFAOYSA-N 277.320 3.549 0 40 CHAB CC1=CC=C/C(=C2\Nc3ccc(F)cc3N2C2CC2)C1=N 102540857 YWGMYCSJZZXJLS-KNQBNYQZSA-N 281.334 3.967 0 40 CHAB CCOC(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 360164 VDQZOOATNLKLHD-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB COc1cnc(-c2ccccn2)nc1Sc1ccccc1 1401651 SBAYNQGWPJSALG-UHFFFAOYSA-N 295.367 3.698 0 40 CHAB CCOc1ccccc1C(=O)OCCCc1ccccc1 1598983 XHVQZYSUASWABF-UHFFFAOYSA-N 284.355 3.875 0 40 CHAB Cc1ccc(C(=O)c2ccccc2CN2CC=CC2)cc1C 2515896 FEUYWJAORCEASJ-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB O=S(=O)(O)c1ccc2cc(Nc3ccccc3)ccc2c1 2565810 DTFZXNJFEIZTJR-UHFFFAOYSA-N 299.351 3.830 0 40 CHAB CCOC(=O)c1cnc2c(Cl)cc(F)cc2c1Cl 3118803 MOTDWJOCDWDKTH-UHFFFAOYSA-N 288.105 3.857 0 40 CHAB CC(=O)[C@@H](Sc1nc(C)cc(C)n1)c1ccccc1 3219733 SUFASZAHGYCWQV-CQSZACIVSA-N 272.373 3.516 0 40 CHAB O=C(Cc1nc2ccccc2s1)c1ccccc1 3319656 WOBXNQIHAIRCIN-UHFFFAOYSA-N 253.326 3.722 0 40 CHAB Cc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 3554461 HLFXGAAJVFJFTN-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB C[C@H]1CC[C@](C)(COC(=O)c2ccc(N)cc2)C1(C)C 3846131 WMLGAKFDNAXYLH-YVEFUNNKSA-N 275.392 3.888 0 40 CHAB biogenic Cc1ccc(C(=O)Cn2c(=N)sc3cc(C)ccc32)cc1 4641665 FGOJYSCNFPWMJC-UHFFFAOYSA-N 296.395 3.682 0 40 CHAB CC[C@]1(O)C[C@H]2c3ccccc3CCN2C[C@@H]1CC(C)C 5063195 RYNPJUSOZNBQIE-WDSOQIARSA-N 287.447 3.793 0 40 CHAB CCCCOC(=O)C1=C(C(=O)OCCCC)CCCC1 5105997 WRIWGGVICWGSNJ-UHFFFAOYSA-N 282.380 3.544 0 40 CHAB CC[C@@H]1CCCCN1CC(=O)c1c[nH]c2ccccc12 5163596 RBQNQFMKPXTQKL-CYBMUJFWSA-N 270.376 3.615 0 40 CHAB CN1c2ccccc2C(C)(C)[C@]12CC(c1ccccc1)=NO2 5173818 YZNQGSYFLNIVQA-LJQANCHMSA-N 292.382 3.935 0 40 CHAB CC[C@H](C)n1c(C)nc2c(N)cc(C(F)(F)F)cc21 5500013 UZAYQTBCCKGIRU-ZETCQYMHSA-N 271.286 3.917 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc(F)cc(F)c2)c1 7599226 LBGCFZUTLWHWQI-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB C[C@@H](NCc1cccn1C)C12CC3CC(CC(C3)C1)C2 8534892 OXRFHJIEIVDZTP-ZZFFKQLHSA-N 272.436 3.720 0 40 CHAB CCCCNC(=O)CCc1ccc(C(C)(C)C)cc1 10366829 FKRVCGYQGYAUMS-UHFFFAOYSA-N 261.409 3.833 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(F)cc(F)c1 10663857 LYSQHNUQIUYMQA-UHFFFAOYSA-N 286.281 3.627 0 40 CHAB Cc1cccc2c1N(C(=O)c1ccc(F)cc1F)CCC2 10971350 XGPBJYNDZPADPH-UHFFFAOYSA-N 287.309 3.866 0 40 CHAB CCCCc1nnc2sc(-c3cccc(Cl)c3)nn12 11277897 KAVRMYPPRPFOHN-UHFFFAOYSA-N 292.795 3.849 0 40 CHAB CCCCC(=O)Nc1nnc(-c2cccc(Cl)c2)o1 12514943 PCDXTZAVCKYXEW-UHFFFAOYSA-N 279.727 3.519 0 40 CHAB O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1 12828286 BHCGTNMXYWFROE-UHFFFAOYSA-N 272.373 3.664 0 40 CHAB COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 13710296 ATMTULIWKKVHRN-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 14258474 UMBLJGURLNUALK-UHFFFAOYSA-N 296.370 3.924 0 40 CHAB COc1ccccc1CNC(=O)/C=C/Sc1ccccc1 15583636 JRDCIVODXDBPJM-VAWYXSNFSA-N 299.395 3.617 0 40 CHAB Cc1cc(C)c(CN[C@H](C)c2nnc3ccccn23)cc1C 15594275 SXXQIJWIJITJTQ-OAHLLOKOSA-N 294.402 3.505 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)c1cc(F)cc(F)c1 17155556 BJKXXFCGFIOCFG-GFCCVEGCSA-N 289.325 3.716 0 40 CHAB C[n+]1c(/C=C/C=C\c2ccccc2)oc2ccccc21 17157664 DRZBHELREJXBBS-ZCVSKNPDSA-N 262.332 3.984 0 40 CHAB CC(C)CCC[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 25344334 NWQLXHOVLGWOIP-NSHDSACASA-N 283.799 3.990 0 40 CHAB Cc1cc(C)c2sc(NCc3cccnc3)nc2c1 26422525 DEGPDLRXUKSNEI-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB COc1ccc(-c2csc3[nH]c(=S)nc(N)c23)cc1 32089341 RDXTYHXNCPIEAQ-UHFFFAOYSA-N 289.385 3.612 0 40 CHAB C[C@@H](NCc1cc(F)ccc1F)c1ccc2c(c1)OCO2 36981977 FSIBZGJVIWSQNE-SNVBAGLBSA-N 291.297 3.544 0 40 CHAB CCN(Cc1cccs1)C(=O)c1cccc(F)c1 39975974 JZMLVLAJAGIUFU-UHFFFAOYSA-N 263.337 3.550 0 40 CHAB CCCCCC(=O)Nc1cccc(N2CCCCC2=O)c1 40082467 WMHSRWFZWGZLGP-UHFFFAOYSA-N 288.391 3.722 0 40 CHAB CC(C)(C)c1nc(COc2ccc3c(c2)OCO3)cs1 40116331 DIHFKKJSSUKPQM-UHFFFAOYSA-N 291.372 3.748 0 40 CHAB CCCCNC(=S)Nc1ccc(OC(C)C)cc1 44194992 QNTYPODZGVXFBQ-UHFFFAOYSA-N 266.410 3.560 0 40 CHAB CC[C@H](C)C(=O)Nc1ncc(-c2ccccc2)s1 47542225 NPXOUOJNOJHOHB-JTQLQIEISA-N 260.362 3.795 0 40 CHAB CC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 49350881 AWXQLLXHYIPYKM-ZDUSSCGKSA-N 265.765 3.627 0 40 CHAB Nc1nc(-c2ccc(F)cc2)cc(-c2cccc(F)c2)n1 71977691 JZNZOTIEXUVUQG-UHFFFAOYSA-N 283.281 3.671 0 40 CHAB CN1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216657 JSZKNZWRGNWSBD-INIZCTEOSA-N 273.424 3.619 0 40 CHAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc[nH]c1=S 72217069 ALMGONBCCLRIAF-AWEZNQCLSA-N 284.384 3.721 0 40 CHAB CCSCc1cccc(N[C@H](C)c2nnc(C)o2)c1 76083830 ABGGGKDPFKMYNX-SNVBAGLBSA-N 277.393 3.804 0 40 CHAB CCOc1ccc(CNc2cc(C)cc(C)c2)nc1 79074839 UFPSLMYJOBNZLZ-UHFFFAOYSA-N 256.349 3.709 0 40 CHAB COC(=O)c1ccc2oc(-c3cccc(Cl)c3)nc2c1 85386329 AEMSNGUWMSSRRI-UHFFFAOYSA-N 287.702 3.935 0 40 CHAB C[C@H](c1ccco1)N(C(=O)N[C@H]1CC=CCC1)C1CC1 86401434 UNAOIQJTNVIHMU-OLZOCXBDSA-N 274.364 3.623 0 40 CHAB CC(C)c1sc(Cl)nc1C(=O)Nc1cccnc1 95480584 MDXCJHHUMQIMGY-UHFFFAOYSA-N 281.768 3.567 0 40 CHAB Cc1cccc(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2cccnc2)c1 96412116 RGDLWTDNZWBZFF-DLBZAZTESA-N 294.398 3.545 0 40 CHAB O=C(O)c1scc(Cl)c1OCc1ccccc1F 96510961 OITLHOYZPQGCQE-UHFFFAOYSA-N 286.711 3.818 0 40 CHAB C[C@H](Nc1cccc([S@](C)=O)c1)c1ccccc1F 97045870 IUVBAVQXPLZJHS-JEOXALJRSA-N 277.364 3.736 0 40 CHAB Cc1nnc(-c2ccc(N[C@H](C)c3cccnc3)cc2)o1 97232155 HPHUDBQLKRONJZ-LLVKDONJSA-N 280.331 3.613 0 40 CHAB C[C@H](NC(=O)Nc1ccc(F)cc1F)[C@H]1C[C@@H]2CC[C@@H]1C2 100795657 ZKRCVTUYFNGYLD-SBFPOUOMSA-N 294.345 3.911 0 40 CHAB C[C@H](NC(=O)c1cc(F)cc(F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108924759 GSCPOBFEYKDEKQ-VEABSNGSSA-N 279.330 3.519 0 40 CHAB O=C(c1ccccc1F)c1c[nH]c2ccc(F)cc12 111683039 SSWFAMSBFSAIDF-UHFFFAOYSA-N 257.239 3.677 0 40 CHAB Oc1ccc(OCc2ccccc2)c(C(F)(F)F)c1 199784700 NZVQNABHNPTIMQ-UHFFFAOYSA-N 268.234 3.990 0 40 CHAB Cc1cccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)n1 225475040 CIORNCPIHKBJTK-NSHDSACASA-N 289.379 3.577 0 40 CHAB COc1cc2c(C)cc(Cl)nc2cc1Br 256050590 FQYJDSYQJHRIOS-UHFFFAOYSA-N 286.556 3.968 0 40 CHAB Cc1nn(CC(C)C)cc1NCc1cc(F)ccc1F 256054791 XUODIQLQOPSBAP-UHFFFAOYSA-N 279.334 3.738 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)C(Cl)(Cl)Cl 382682947 CKOMSECUHUXJMI-UHFFFAOYSA-N 277.456 3.657 0 40 CHAB FC(F)(F)CCN1CCC[C@@H]1c1ccc2c(c1)OCO2 77280765 MOKBHXNGKOHVEH-LLVKDONJSA-N 287.281 3.505 0 40 CHAB O=C(COc1ccc(F)cc1)Oc1cccc2ccccc12 133009 QNGQJBGNSLKLOP-UHFFFAOYSA-N 296.297 3.963 0 40 CHAB Cc1ccc(CNC[C@@H](c2cccs2)N2CCCC2)o1 23257934 ZPLDIBJXBZZPMM-HNNXBMFYSA-N 290.432 3.576 0 40 CHAB CC(C)=C(c1ccccc1)c1c(N)ncnc1Cl 1704106 OJZGGWIHNBBFDU-UHFFFAOYSA-N 259.740 3.554 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O 3849784 QGXBDMJGAMFCBF-VKRZGTMMSA-N 290.447 3.959 0 40 CHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 4023792 CBMYJHIOYJEBSB-MQJSTHQHSA-N 292.463 3.751 0 40 CHAB endogenous,in-man C[C@H]1CCN([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 106638864 HYVYTRFOOREVKP-UONOGXRCSA-N 282.387 3.509 0 40 CHAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccncc1 57547549 YAOSTISNIUSXMX-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB CC1(C)C=CN(c2c(F)c(F)cc(F)c2F)C(S)=N1 54957154 STCPRJZFYQACBC-UHFFFAOYSA-N 290.285 3.641 0 40 CHAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 20296845 LQSUDQVTJDIKAO-CQSZACIVSA-N 298.386 3.751 0 40 CHAB COc1ccc(N[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 102917072 KFKLIBAWHRUNOV-CKEIUWERSA-N 273.376 3.501 0 40 CHAB CCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20136548 BAFNBOZTAYGCOT-UHFFFAOYSA-N 293.750 3.831 0 40 CHAB Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cn1 28288840 LRTQMHWIYVKIHU-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB Cc1ccc(C)c(C(=O)CCCCCCC(=O)O)c1 2378620 ZEGRXWUJHVOUFQ-UHFFFAOYSA-N 262.349 3.911 0 40 CHAB Cc1ccc2[nH]c(C)c(CCNCc3cccnc3)c2c1 2455604 BKOKPJIJJGKIAA-UHFFFAOYSA-N 279.387 3.512 0 40 CHAB CC(C)c1nc(COC(=O)c2cc(Cl)c[nH]2)cs1 46246911 XLMUFRQOLDMQDG-UHFFFAOYSA-N 284.768 3.605 0 40 CHAB CCc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)cc1 10812497 KIQOHNDGOHTLDS-UHFFFAOYSA-N 281.355 3.633 0 40 CHAB Fc1ccc([C@H]2C[C@H](C(F)(F)F)n3nccc3N2)cc1 2766651 GSGLBLIAPYQJFC-GHMZBOCLSA-N 285.244 3.683 0 40 CHAB COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCC2 3556226 CSIZPHWKBOOAAC-ZRDIBKRKSA-N 293.366 3.836 0 40 CHAB aggregator S=C(NCc1ccc(Cl)cc1)NC1CCCCC1 3958940 XRVFNSGNRHTPDJ-UHFFFAOYSA-N 282.840 3.637 0 40 CHAB Cc1ccoc1C(=O)Nc1c(C)noc1-c1ccccc1 97377538 FNDWJRYHDYCLIP-UHFFFAOYSA-N 282.299 3.804 0 40 CHAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(N)c2)cc1 19736688 ZBSVWPPLARVPEW-GFCCVEGCSA-N 284.359 3.698 0 40 CHAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)nc1 13837596 QTZARAFWJDRBCI-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB CCOCCCNCc1cccc(OCc2ccccc2)c1 6536879 NXNUQAQMKWFWSZ-UHFFFAOYSA-N 299.414 3.782 0 40 CHAB C[C@H]1CCCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 6509476 RWMOFSYJCLOSNZ-QMMMGPOBSA-N 288.174 3.571 0 40 CHAB CCc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1 409018764 UGBNXJLPDYIZKY-UKTHLTGXSA-N 275.373 3.694 0 40 CHAB Cc1ccc([C@@H](C)NCc2nnc(-c3ccccc3)s2)o1 90400935 VKFFVQLJGCUSGU-GFCCVEGCSA-N 299.399 3.957 0 40 CHAB CCCCNC(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28221008 PZMSVTZUVWLYGF-AWEZNQCLSA-N 285.391 3.638 0 40 CHAB Cc1cc(C(=O)NCC2(C3CC3)CCC2)c(C)s1 84081763 IPVLJXOCKKEJOO-UHFFFAOYSA-N 263.406 3.675 0 40 CHAB O=C(c1ccc(Br)c(Cl)c1)C(F)F 307042169 SAFHYQXXAPQFGV-UHFFFAOYSA-N 269.472 3.550 0 40 CHAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCNC2)n1 72354407 SCVKCIITVLCSKA-GOSISDBHSA-N 280.415 3.756 0 40 CHAB CC(C)(C)OC(=O)N1C(=O)CC12CCCCCCC2 72481910 XFIFCPCRCQWJTL-UHFFFAOYSA-N 267.369 3.637 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)c2ccccc21 38671287 NLUFSLBNOOBGTJ-CQSZACIVSA-N 299.757 3.957 0 40 CHAB CSc1ccccc1[C@H](O)c1ccc(C)s1 84193695 YJOPLWGZKFWZRY-ZDUSSCGKSA-N 250.388 3.860 0 40 CHAB Nc1ccc(Oc2ccnc(Cl)c2)c(Cl)c1 98175351 KSPIMVUELMKZGI-UHFFFAOYSA-N 255.104 3.763 0 40 CHAB Cc1c([C@H](C)NC(=O)c2cccnc2)oc2ccccc12 46650041 ZHCRVQBXUGYPBH-LBPRGKRZSA-N 280.327 3.627 0 40 CHAB Cc1nc(Nc2cccc(F)c2)cc(C(F)F)n1 1888879453 CNGYKQNULGCQIF-UHFFFAOYSA-N 253.227 3.605 0 40 CHAB Cc1occc1C(=O)Nc1ncc(Cc2ccccc2)s1 22131384 LJJJBCUEICYWKG-UHFFFAOYSA-N 298.367 3.888 0 40 CHAB Cc1nn(-c2nc3ccccc3o2)c(O)c1CCC(C)C 14607836 UQLKQHAHQZXFGE-UHFFFAOYSA-N 285.347 3.616 0 40 CHAB c1ccc(C/N=c2\sccn2Cc2ccccc2)cc1 16917153 VZVOCELYIZNDEG-ZCXUNETKSA-N 280.396 3.699 0 40 CHAB Cc1ccc(F)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 6206013 CBFNTFXWOICWTK-QPJJXVBHSA-N 299.301 3.515 0 40 CHAB Cc1nc(CNc2ccc(C(F)(F)F)cn2)sc1C 225590002 GGZYBKIDXWNCBT-UHFFFAOYSA-N 287.310 3.786 0 40 CHAB C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1F 23543576 VUAGNASKYDVOAY-VIFPVBQESA-N 293.725 3.676 0 40 CHAB CN(Cc1cccs1)C(=O)c1c[nH]c2ccccc12 32736296 NDEMMEJTTQLVHT-UHFFFAOYSA-N 270.357 3.502 0 40 CHAB CCCCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2 3892398 ZNDVVRGOMIIMTI-UHFFFAOYSA-N 281.425 3.514 0 40 CHAB C[C@H]1C[C@H]1C(=O)N1CCC(CCc2ccccc2)CC1 40024211 LQJGFLQVVOLPFQ-WMLDXEAASA-N 271.404 3.514 0 40 CHAB Cc1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100817655 OBIQXTUOYQUGFG-KRWDZBQOSA-N 288.354 3.643 0 40 CHAB CC(=O)N1CCc2cc(-c3nc(C4CC4)sc3C)ccc21 40501805 KZEMVFXYTHYWLU-UHFFFAOYSA-N 298.411 3.905 0 40 CHAB CCC(CC)NC(=O)c1c(-c2ccccc2)noc1C 339747 GAOLMWNDAZTLAY-UHFFFAOYSA-N 272.348 3.568 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]2CCCC[C@@H]21 52897091 RZJBWGQQYACRSM-KSSFIOAISA-N 296.414 3.892 0 40 CHAB O=C(c1ccc(F)cc1)c1coc2ccc(O)cc12 551456 PYUTWUDWRGHBJL-UHFFFAOYSA-N 256.232 3.509 0 40 CHAB O=C(c1cccnc1)c1ccc(Cl)c(Cl)c1 22121748 XTCRDAUMVZZCDC-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB CCN(Cc1ccoc1)Cc1cnc(-c2cccnc2)s1 92935810 LPQUQYVPBRGAAU-UHFFFAOYSA-N 299.399 3.820 0 40 CHAB O=C(CSc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 567397 SWHGHAGMKCRYNT-WDMOLILDSA-N 295.835 3.737 0 40 CHAB Cc1cc(C)c2c(N)c(-c3ccccn3)sc2n1 12446543 IRGSLWCFHBHTHL-UHFFFAOYSA-N 255.346 3.557 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCCCC2)c1 795908 JLBQRFOQXWESIO-UHFFFAOYSA-N 275.392 3.510 0 40 CHAB C[C@H](O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133292 GBSZHPXEZROSRP-ZETCQYMHSA-N 290.672 3.598 0 40 CHAB O=C(O)c1cccc(SC(Cl)(Cl)Cl)c1 1688895 KWMKKXCNDWOLQU-UHFFFAOYSA-N 271.552 3.805 0 40 CHAB CSc1ccc(CN(C)Cc2c(C)noc2C)cc1 42364954 DMAGEUDAURTNPL-UHFFFAOYSA-N 276.405 3.645 0 40 CHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O 3881869 VOXZDWNPVJITMN-RZFLPCETSA-N 272.388 3.609 0 40 CHAB CCCCOc1cc(C=O)c(OCCCC)cc1C=O 34498499 YVTRGUBFSLFACU-UHFFFAOYSA-N 278.348 3.669 0 40 CHAB CCN(CC)[C@H](C)CNC(=O)Nc1cccc(Cl)c1C 43174262 GEANVDFZRAXYIX-LLVKDONJSA-N 297.830 3.500 0 40 CHAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1cccc(Cl)c1 6853241 URZHJFNZYVFTGS-QWRGUYRKSA-N 281.787 3.639 0 40 CHAB CC(=O)c1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1 12567366 ISUUCZSIROCAEI-UHFFFAOYSA-N 297.398 3.900 0 40 CHAB Cc1ccc(CCC(=O)N(C)Cc2ccccc2)cc1 10371114 MHHGSSDFZDQGEF-UHFFFAOYSA-N 267.372 3.586 0 40 CHAB CCC[C@@H](C)NC(=O)Cc1c(C)nc2ccccc2c1C 25380667 QFFNWDACSWMAEC-GFCCVEGCSA-N 284.403 3.699 0 40 CHAB CCN(CC)[C@@H](CNC(=O)CC(C)(C)C)c1ccccc1 57288257 PAXYFQMVAISZQO-INIZCTEOSA-N 290.451 3.622 0 40 CHAB Cc1cc2ncc3c([n+]2o1)/C(=C\c1ccccc1)CCC3 103439018 LVCNMJYTTDSFEV-PTNGSMBKSA-N 277.347 3.599 0 40 CHAB Cc1nc(NC(=O)CCc2ccc(Cl)cc2)sc1C 28232824 MLXBYUYFCCJBKA-UHFFFAOYSA-N 294.807 3.985 0 40 CHAB C[C@@]1(NC(=O)Cc2ccccc2F)CCCc2ccccc21 95958481 KJLHBMFOVFAYNY-LJQANCHMSA-N 297.373 3.736 0 40 CHAB CCOc1ncccc1C(=O)Nc1c(CC)cccc1CC 3409419 DQIZACUQUPPTMS-UHFFFAOYSA-N 298.386 3.857 0 40 CHAB CSCc1cc(F)ccc1CNCc1scnc1C 88751812 ILQIZNZDHYHNFX-UHFFFAOYSA-N 296.436 3.743 0 40 CHAB CCOc1ccc(NC[C@H]2CCOC(C)(C)C2)cc1 4296032 QGTKEDSQUDRCEG-ZDUSSCGKSA-N 263.381 3.702 0 40 CHAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nccn2C)cc1C 6369804 TVLTXPXYXCBPIC-ZDUSSCGKSA-N 288.416 3.709 0 40 CHAB C/C(=C\C(=O)N[C@@H](c1ccccc1)c1ccncc1)C1CC1 96295955 HUUPFXJLPCKOMJ-KQDNUWKFSA-N 292.382 3.644 0 40 CHAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccccc1F 7473022 CKUGEFXARHBSMC-UHFFFAOYSA-N 297.373 3.563 0 40 CHAB CCC1(CNCc2c[nH]nc2-c2ccc(C)o2)CCC1 84056839 QHZBQKKJGSFQNT-UHFFFAOYSA-N 273.380 3.648 0 40 CHAB C[C@H](NCc1ncc(-c2cccc(F)c2)o1)c1ccncc1 97370692 IKJQPTZKQQONJG-LBPRGKRZSA-N 297.333 3.727 0 40 CHAB COc1ccc(C=C(Br)Br)cc1 75421010 WPCVWFREMZVRMJ-UHFFFAOYSA-N 291.970 3.783 0 40 CHAB Cc1ccc2nc3c(cc2c1)CN(Cc1ccco1)C(=O)O3 72373717 JTTCXSPCGCJWCP-UHFFFAOYSA-N 294.310 3.651 0 40 CHAB CC(C)CN1CCC[C@H]1c1ccc(Br)nc1 72211557 YHHIFXGMOKGGGP-LBPRGKRZSA-N 283.213 3.637 0 40 CHAB CC[C@@H](C)C(=O)Nc1cccc(OCc2ccccn2)c1 31453534 LYBJPGSWECFTGO-CYBMUJFWSA-N 284.359 3.645 0 40 CHAB Cc1c/c(=N\c2cccc(F)c2)c2ccccc2[nH]1 35067593 MERCPMOQUZRMKJ-UHFFFAOYSA-N 252.292 3.848 0 40 CHAB COC(=O)c1cc2sccc2c(-c2ccccc2)n1 72209387 JYVFMHRQWCWZPO-UHFFFAOYSA-N 269.325 3.750 0 40 CHAB COc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)cn1 32617187 VTLNKJVCGMTQPL-UHFFFAOYSA-N 297.232 3.714 0 40 CHAB COc1ccc(-c2cccc([C@@H]3CCCN(C)C3)n2)cc1 72348560 AWEYGYLEOJNSNG-OAHLLOKOSA-N 282.387 3.566 0 40 CHAB CCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 48356597 HMQJBADNUYGQBJ-CYBMUJFWSA-N 251.345 3.829 0 40 CHAB CCN(CCCC(=O)O)c1ccc(Cl)cc1Cl 224994369 AKRPDZQVPFPRHW-UHFFFAOYSA-N 276.163 3.685 0 40 CHAB Clc1cccc(-c2nc(CNc3ccccc3)n[nH]2)c1 40174443 FRGRYJGPYYHHDC-UHFFFAOYSA-N 284.750 3.737 0 40 CHAB COCC[C@H](C)NC(=O)Nc1ccccc1C(C)(C)C 69808816 RLFKPAZSGITGRZ-LBPRGKRZSA-N 278.396 3.531 0 40 CHAB Cc1ccc(O[C@@H](Cc2ccc(C)cc2C)C(=O)O)cc1 225025045 PRRUICFLXSHERZ-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB Cc1ccc(CCC(=O)N(C)Cc2ccccc2)cc1C 224638722 ZGMSLEAZLZPHMG-UHFFFAOYSA-N 281.399 3.895 0 40 CHAB Cc1ccc([C@@H]2CSCCN2C(=O)c2ccsc2)o1 98014011 HWKBMZVPXKMENS-LBPRGKRZSA-N 293.413 3.580 0 40 CHAB C[C@]12CC[C@H]3[C@H](CC[C@H]4OCCC[C@]34C)[C@@H]1CC[C@@H]2O 90614813 JMNISNRAJNKYBE-SZUGOBGCSA-N 278.436 3.769 0 40 CHAB CC(=O)Nc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1 146883852 ZDFVXSKBYPBCRD-UHFFFAOYSA-N 293.322 3.727 0 40 CHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 245253809 GIXJWQWFZRJSRT-FNFOWYRRSA-N 281.446 3.625 0 40 CHAB CC[C@H](C)Oc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 260571722 BHVLXDWIQYEEEP-GRDNDAEWSA-N 277.408 3.694 0 40 CHAB COC(=O)CCCC(=O)c1cccc(C(F)(F)F)c1C 575360805 NEVLBLYSAJFRRU-UHFFFAOYSA-N 288.265 3.540 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN[C@@H](C)[C@@H](C)CO)o1 77420732 UHFIKTIOBBEJTC-AAEUAGOBSA-N 291.366 3.501 0 40 CHAB COc1ncc(-c2ccccc2)cc1Br 90413716 KYUBAEPYBQJRCF-UHFFFAOYSA-N 264.122 3.520 0 40 CHAB in-vitro COC(=O)C[C@]1(C)O[C@@H]2CCCC[C@@H]2C2=CCCC[C@@H]21 12658688 WNVJVFWHEQPCPV-DLTWYDFYSA-N 278.392 3.624 0 40 CHAB biogenic CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1 5476869 LCZSTHIODUZSKX-ARFHVFGLSA-N 257.377 3.581 0 40 CHAB Clc1nc(N2CCCCCC2)c2ccccc2n1 11756892 JNSQKVBHFVWRSY-UHFFFAOYSA-N 261.756 3.664 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)NCCc1ccccc1 13994446 MWQOIHRVRXENMA-KRWDZBQOSA-N 297.398 3.511 0 40 CHAB O=C(CC1CCCC1)N1CCS[C@@H](c2ccco2)CC1 207006264 MWWCWRINQXVRIQ-OAHLLOKOSA-N 293.432 3.867 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)C1(c2ccccc2)CC1 3423113 SVNKSSSXBPCGFH-UHFFFAOYSA-N 273.282 3.635 0 40 CHAB Cc1cnc(Nc2ccc3cnccc3c2)cc1F 953049940 YKKAKBCEHOZBEQ-UHFFFAOYSA-N 253.280 3.821 0 40 CHAB Cc1cc2nc(NC[C@@H]3CCCO3)sc2cc1C 42379447 JPOHPNBWWLOFCN-NSHDSACASA-N 262.378 3.504 0 40 CHAB Cc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1 527271 NYFGRUROQCFCSI-UHFFFAOYSA-N 292.367 3.828 0 40 CHAB S=C(NCc1ccccc1)Nc1ccccc1Cl 75489 UQPJXCPVCQDMNM-UHFFFAOYSA-N 276.792 3.827 0 40 CHAB CCCC(=O)Oc1ccc(OCc2ccccc2)cc1 571011 ZOEUZNCAWXZTMB-UHFFFAOYSA-N 270.328 3.971 0 40 CHAB CCOC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 1668416 QOIGPCFSWDGKDJ-INIZCTEOSA-N 269.344 3.717 0 40 CHAB CN(C(=O)Oc1cccc2ccccc12)[C@@H]1C=CCC1 1747636 WBQLIXLVZGYQGW-CQSZACIVSA-N 267.328 3.989 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CN1CCCCCC1)C2 2283131 SLDMLDVVHRLHBB-RKVPGOIHSA-N 293.451 3.620 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cn3c(C)cccc3n2)c1 12529476 DELBBPHQCKUHMX-UHFFFAOYSA-N 279.343 3.512 0 40 CHAB COc1cc(C=O)c(Sc2ccccc2)cc1OC 8729762 OXZJXGPDIMNUQD-UHFFFAOYSA-N 274.341 3.668 0 40 CHAB CSc1nc(Cl)cc(N2CCCc3ccccc32)n1 1398320 WXIPPNLYSFIRLM-UHFFFAOYSA-N 291.807 3.936 0 40 CHAB CCC[C@H](NC(=O)c1c(C)noc1C)c1ccccc1 25255583 XIYJUQCBCUYJQQ-AWEZNQCLSA-N 272.348 3.563 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CC(C)(C)C 3231792 BXCLZJOROFYFGH-UHFFFAOYSA-N 297.782 3.566 0 40 CHAB CC(=O)[C@H](C)Sc1ccc(Br)cc1 35182762 GRGPYUUHCZUIMU-QMMMGPOBSA-N 259.168 3.519 0 40 CHAB C[C@H](O)[C@H](C)S[C@H](C)Cc1ccc2ccccc2n1 107512145 MDARMRPECQSWGD-AGIUHOORSA-N 275.417 3.668 0 40 CHAB OC1=Nc2c(cnn2C2CCCC2)[C@@H](c2cccnc2)C1 71283054 IGIRCEVWTOOPLT-CYBMUJFWSA-N 282.347 3.517 0 40 CHAB CN(C)c1n/c(=N\c2ccc3ccccc3c2)ss1 104276883 BENONHDDQJUOFA-FYWRMAATSA-N 287.413 3.656 0 40 CHAB CC(=O)Nc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1 25313238 HAKRYOXOWKFMBE-SJKOYZFVSA-N 298.386 3.651 0 40 CHAB CCc1ccc([C@H](C)NC(=O)COc2cccc(C)c2)cc1 23426358 IAWXGRDKSRLACO-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccncc1 27924271 BMSMANUPIKWNGV-VIFPVBQESA-N 293.729 3.757 0 40 CHAB CC[C@@H](C)N[C@H](C)c1ccc(Br)s1 38001601 YSUVURQIWGMWJH-HTQZYQBOSA-N 262.216 3.960 0 40 CHAB CCOc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 3563947 PXXAMDCHZPAYTJ-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CCCCC1 12946700 YTSNNAXXDZOYGH-UHFFFAOYSA-N 299.414 3.587 0 40 CHAB CSc1cccc(NC(=O)N[C@H](C)c2ccccn2)c1 13744668 HQBNVPZSQAEBNE-LLVKDONJSA-N 287.388 3.686 0 40 CHAB Cc1ccc(C2=N/C(=C\c3sccc3C)C(=O)O2)cc1 4588644 UBRFLUPZKHBHEE-LCYFTJDESA-N 283.352 3.709 0 40 CHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 5403285 SUIWRWXDWNTEND-UHFFFAOYSA-N 295.338 3.546 0 40 CHAB O=C(O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 5592335 XSZXHVFNMYQPOI-UHFFFAOYSA-N 288.155 3.744 0 40 CHAB in-vitro CCc1ccc2oc(C(=O)NCc3cccnc3)c(C)c2c1 6822533 UBZIBPYZQQOEFF-UHFFFAOYSA-N 294.354 3.629 0 40 CHAB COc1cccc(/C=C/c2nnc(-c3ccco3)o2)c1OC 6938375 VDNCEIPTAGAABJ-CMDGGOBGSA-N 298.298 3.517 0 40 CHAB Cc1ccc(NCc2ccco2)c(Br)c1 19901574 RBHWXVRSVGVVAA-UHFFFAOYSA-N 266.138 3.963 0 40 CHAB O=C(CCc1cccs1)Nc1ccc2c(c1)CCC2 8312027 RPKXYVJPZZVIJL-UHFFFAOYSA-N 271.385 3.808 0 40 CHAB Cn1c(SCc2cccc(Cl)c2)nnc1C1CC1 17008202 ZSCVZXHJWBFOJY-UHFFFAOYSA-N 279.796 3.638 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc(OC)cc1F 18114328 VTUIQZVDBXICTQ-UHFFFAOYSA-N 287.334 3.957 0 40 CHAB CC[C@H](C)Oc1ccc(CN[C@H](C)CC)cc1OC 66116158 FYSYRBSXBBTMKZ-OLZOCXBDSA-N 265.397 3.761 0 40 CHAB Clc1cccc2sc(I)nc12 20156618 LERJYTBNTDHCPB-UHFFFAOYSA-N 295.532 3.554 0 40 CHAB CSc1ccc([C@H](C)NC(=O)c2cccc(C)n2)cc1 27165688 QTWCNCYHFNIWCO-LBPRGKRZSA-N 286.400 3.603 0 40 CHAB Cc1[nH]nc(CNc2cc(C(C)C)nc(C(C)C)n2)c1C 1515968658 JMLVNPHQWSIULY-UHFFFAOYSA-N 287.411 3.675 0 40 CHAB O=C(Nc1ccccc1)c1ccc(-c2cccnc2)o1 32593267 KZLUORXKEOEOCV-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB CCOC(=O)c1ccc2nc(-c3ccncc3)sc2c1 73635270 VJTMWEDGKJYDHA-UHFFFAOYSA-N 284.340 3.535 0 40 CHAB CC(=O)N1CCC[C@H](c2ccc(-c3ccccc3C)cn2)C1 72364885 ZEXWQNDYYIIELB-KRWDZBQOSA-N 294.398 3.783 0 40 CHAB Cc1ccc(NC(=O)c2cnc(C3CC3)nc2C)cc1C 222561903 YGMKFXBYEHTZKP-UHFFFAOYSA-N 281.359 3.532 0 40 CHAB C[C@@H](C(=O)NC1CCCCC1)n1cc(-c2ccccc2)cn1 227165417 SQJWYPYCSXEFHA-AWEZNQCLSA-N 297.402 3.560 0 40 CHAB CC(C)n1c([C@H](C)O)nc2cc(C(F)(F)F)ccc21 40417299 AXDKZQDFWNXCOG-QMMMGPOBSA-N 272.270 3.689 0 40 CHAB COc1ccc(Cl)cc1C(=O)CCCCCCC(=O)O 43214171 QIKDBHLQXHZSIZ-UHFFFAOYSA-N 298.766 3.957 0 40 CHAB COc1ccc(CCC(=O)N[C@H](C)c2ccccc2)cc1C 223359895 NWNFASYNWPHJFA-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB Cc1nccn1Cc1nc(-c2c(F)cccc2F)cs1 96010441 NHEGSTLBVMCMRY-UHFFFAOYSA-N 291.326 3.642 0 40 CHAB O=C(c1cc(Br)ccc1F)C1CCC1 83255982 ADPXDFBKGQXDGQ-UHFFFAOYSA-N 257.102 3.571 0 40 CHAB Fc1cc(Br)cc(OC(F)(F)F)c1F 91675772 PGMZSKAXRNHCAL-UHFFFAOYSA-N 276.986 3.626 0 40 CHAB Cc1ccc(Oc2cccc([C@@H]3CCCN3)n2)cc1 257198297 YHXCJVCBKZSCPV-AWEZNQCLSA-N 254.333 3.607 0 40 CHAB CC(=O)c1cc(F)ccc1Oc1ccc2c(c1)OCO2 19871620 UEUCGGDPPFPXMA-UHFFFAOYSA-N 274.247 3.549 0 40 CHAB Cc1ccc(CSc2nnc(OC(C)C)s2)cc1 59933142 YWWBHWZAASKEHK-UHFFFAOYSA-N 280.418 3.926 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(-c2cc[nH]n2)cc1 107330786 UEFSGYXTXDQWBD-AEGPPILISA-N 295.386 3.842 0 40 CHAB C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@@H](C)O1 95430491 UNIBBCRFNILCPB-VXGBXAGGSA-N 261.390 3.511 0 40 CHAB O=C(Nc1cccnc1Cl)c1cccc(Cl)c1 5749801 BBKSKYDGAUCEAN-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB O=C(O)c1ccc(Cl)c(NC(=O)C2CCCCC2)c1 13167568 CQBKMUIXMOYPRS-UHFFFAOYSA-N 281.739 3.557 0 40 CHAB C[C@@H]1CCCN(Cc2cccc(Br)c2)C1 14193760 WBAUQFATUPQGAL-LLVKDONJSA-N 268.198 3.681 0 40 CHAB Cc1ccc(NC(=O)c2cccc3ccccc23)cc1N 19509701 NIWBWQTYFIEZPU-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1N 226347512 DJRRZRUMKXAWJB-UHFFFAOYSA-N 292.338 3.683 0 40 CHAB CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1F 50823255 QARCQTWQCAJUAX-UHFFFAOYSA-N 277.726 3.751 0 40 CHAB CCCCCc1nnc(NC(=O)c2ccc(C)cc2)s1 3154223 GZERKSMIAXIAMZ-UHFFFAOYSA-N 289.404 3.832 0 40 CHAB Fc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccco1)N2 100837059 BGXDUIOHIMCBER-VCTAVGKDSA-N 259.280 3.663 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc2cnccc12 21218449 QWBMKYSKESYPOC-LBPRGKRZSA-N 252.317 3.530 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(F)c(F)c1 22595063 NTKZUAWGCABXTD-GFCCVEGCSA-N 289.325 3.716 0 40 CHAB CCOc1ccc(-c2csc(NC(=O)C(C)C)n2)cc1 143303 HRODEDYUUYMDOJ-UHFFFAOYSA-N 290.388 3.803 0 40 CHAB C[C@H]1CC[C@@H]2[C@@H](C1)Nc1c(C(=O)O)cccc1C2(C)C 296575 AXJHPUBYXHXNHC-ZKYQVNSYSA-N 273.376 3.893 0 40 CHAB CCN(CC)c1ccc2c(c1)[C@@H](O)c1ccccc1-2 394343 MVTIEKNFOFJLRT-KRWDZBQOSA-N 253.345 3.595 0 40 CHAB Cc1cc(-c2noc(-c3cccnc3)n2)c2ccccc2n1 1426600 BJEZFKUGLFJJJE-UHFFFAOYSA-N 288.310 3.655 0 40 CHAB CCN(CC)CCO[C@H]1CCCC[C@@H]1Cc1ccccn1 1675101 FZAOVOGLQIIWGX-AEFFLSMTSA-N 290.451 3.541 0 40 CHAB CCCCCC[n+]1ccc(C(=O)c2ccccc2)cc1 1712167 SMQFWNUWBGTLOD-UHFFFAOYSA-N 268.380 3.785 0 40 CHAB CCCCOCCOC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 1719045 MGZDAYPGXNRHMP-ZIAGYGMSSA-N 268.397 3.585 0 40 CHAB Cc1ccnc(SCC(=O)c2cc3ccccc3o2)n1 3237511 OPXRNBNWRVIAMF-UHFFFAOYSA-N 284.340 3.506 0 40 CHAB O=C(NCc1ccccn1)c1ccc(-c2cccs2)cc1 4663178 JCXKXEWZKMUHEJ-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB Cc1cccc(NC(=O)Nc2c[nH]c3ccccc23)n1 5265517 HJGACJPZTNZPII-UHFFFAOYSA-N 266.304 3.515 0 40 CHAB CCCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 5308408 SQOSYVLMSPNIKN-UHFFFAOYSA-N 294.826 3.569 0 40 CHAB CCCNCc1cccc(OCc2ccccc2F)c1 7262401 QPGUJWKQIIICOX-UHFFFAOYSA-N 273.351 3.904 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCCCCCC1 7486859 DOQOLTBJXFQSIB-UHFFFAOYSA-N 284.403 3.925 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)c1cc2ccccc2[nH]1 7830217 GGQJBCUXOGMJHE-LLVKDONJSA-N 296.395 3.989 0 40 CHAB CC(=O)n1nc(-c2ccccc2)c2cc(C)ccc21 8569640 KSERVVBVKSJHIQ-UHFFFAOYSA-N 250.301 3.672 0 40 CHAB O=C(NCCc1ccco1)c1cc2c(F)cccc2s1 10218527 OSGMHMBPNLSNTO-UHFFFAOYSA-N 289.331 3.606 0 40 CHAB Cc1ccc(NC(=O)Cc2cccc3ccccc23)nc1 12538744 GDPYBFOIGVENMS-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccccc2)on1 13482221 ZLVKFBHADIKPPB-BETUJISGSA-N 284.359 3.745 0 40 CHAB CCCOc1ccccc1C(=O)Oc1ccccc1C(C)=O 14779858 IPSPZUSHUHAFRF-UHFFFAOYSA-N 298.338 3.897 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 17007472 JTMVKNGQPFBSBJ-LYPFPBCHSA-N 275.436 3.707 0 40 CHAB O=C(Nc1cccc(F)c1)Nc1c(F)cccc1F 19075410 UAFHZUZXYSJFHA-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB COc1cccc2cc([C@@H](C)NCc3cccnc3)oc12 20141443 RGKJDKWWIUBNAK-GFCCVEGCSA-N 282.343 3.687 0 40 CHAB Cc1noc2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 20605807 UJRPIKMXWFJANX-UHFFFAOYSA-N 294.232 3.923 0 40 CHAB Cc1[nH]c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2c1C 21895261 QHXFRAJQIDJSFZ-TXEJJXNPSA-N 284.403 3.903 0 40 CHAB Cc1cccc(CNC(=O)c2ccc3c(c2)CCCC3)c1 26021642 ZQZAIJUTBHCNSR-UHFFFAOYSA-N 279.383 3.804 0 40 CHAB O=C(CCc1ccccc1Cl)NCc1ccc(F)cc1 27211376 WKOAFEMYCSSVLB-UHFFFAOYSA-N 291.753 3.728 0 40 CHAB Clc1cccc(Cl)c1COCC1CCNCC1 28522022 DSLUXTRIXBSXJH-UHFFFAOYSA-N 274.191 3.510 0 40 CHAB Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)cs1 29048676 KGPBNLSPHADRDS-UHFFFAOYSA-N 262.231 3.550 0 40 CHAB CCC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1Cl 32795115 QRWGDBMOANRAKC-GHMZBOCLSA-N 268.788 3.889 0 40 CHAB Cc1nnc(-c2ccccc2NCc2ccsc2)o1 36932309 HBYYAHRTLLNSTD-UHFFFAOYSA-N 271.345 3.719 0 40 CHAB Fc1cc(Br)ccc1-c1cccnc1 45028364 WEEPKYIVYBXCSK-UHFFFAOYSA-N 252.086 3.650 0 40 CHAB in-vitro C[C@H](NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1 45302418 ZKFFJBXJJFDBJM-QMMMGPOBSA-N 274.191 3.953 0 40 CHAB in-vitro C[C@H](NC(=O)C(C)(C)c1ccccc1)c1ccccc1 46635567 CXCONJLWCSGHFX-AWEZNQCLSA-N 267.372 3.842 0 40 CHAB CC(C)c1ccc([C@@H]2CC(O)=Nc3c2cnn3C)cc1 49544301 ZEDBQRJLVQEKAF-ZDUSSCGKSA-N 269.348 3.667 0 40 CHAB c1ccc(-c2csc(CNCCc3ccccn3)n2)cc1 61680726 TYGNDFKKYLLGEL-UHFFFAOYSA-N 295.411 3.537 0 40 CHAB O=C(CC1=CCCCC1)N1CCC[C@@H](c2nccs2)C1 67047656 ABKLEIKAVCRNSK-CQSZACIVSA-N 290.432 3.740 0 40 CHAB O=C(CCC1CCCC1)NCCCNc1ccccc1 68508373 RAWSXGXMLCRGTK-UHFFFAOYSA-N 274.408 3.575 0 40 CHAB C=Cn1nccc1C(=O)c1ccc(Cl)cc1Cl 68728506 NUQCCLAPPWDYBP-UHFFFAOYSA-N 267.115 3.521 0 40 CHAB Cc1ccc(NCc2c(Cl)nc(Cl)n2C)cc1 69982188 ICZKNCSUXHQNKI-UHFFFAOYSA-N 270.163 3.647 0 40 CHAB O=C(/C=C/c1ccco1)N1CCC(c2ccsc2)CC1 75157099 WZOWYBQUWCWVBB-ONEGZZNKSA-N 287.384 3.761 0 40 CHAB CC(C)(C)[C@H](O)CNc1ncc(C(F)(F)F)cc1Cl 78669911 XBOCYLOIWFMXCG-SECBINFHSA-N 296.720 3.573 0 40 CHAB CCCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 89065207 RSHXLFMOTZBBOC-UHFFFAOYSA-N 298.177 3.744 0 40 CHAB Cc1n[nH]c(C)c1NC(=O)CS[C@@H](C)c1cccs1 89522893 GLPAAVLYGALXGZ-JTQLQIEISA-N 295.433 3.521 0 40 CHAB Cc1cc(Cl)ccc1C(=O)c1ccc2c(c1)OCO2 95916459 ZFGUNUGTDMHBKX-UHFFFAOYSA-N 274.703 3.608 0 40 CHAB Cc1cc(C)c(C(=O)c2ccc(N(C)C)cc2)cc1C 95917398 XFOMDKCENGWMLT-UHFFFAOYSA-N 267.372 3.909 0 40 CHAB CCC[C@@H](C)CC(=O)Oc1ccc(OC)c(C(C)=O)c1 96003104 MIHRMPPKUPSINN-LLVKDONJSA-N 278.348 3.630 0 40 CHAB Oc1ccc2occ(-c3ccc4c(c3)OCCCO4)c2c1 96116506 FPEHERVGTJADGV-UHFFFAOYSA-N 282.295 3.967 0 40 CHAB biogenic C[C@H](NC1CCSCC1)c1cccc(N2CCCC2)c1 96479261 XEXCYCCZASUCCH-AWEZNQCLSA-N 290.476 3.833 0 40 CHAB Cc1ccc(C(=O)CC(=O)c2ccc(C)cc2)cc1 100801946 XKFZOWRFWMXGQG-UHFFFAOYSA-N 252.313 3.759 0 40 CHAB Cc1ccc(C(=O)NCCc2ccc(F)cc2)c(Cl)c1 192297227 XEMYRFAJKILLRA-UHFFFAOYSA-N 291.753 3.760 0 40 CHAB CNc1ccc2oc(-c3cccc(OC)c3)nc2c1 204730784 LQPZHRMSJLCTBP-UHFFFAOYSA-N 254.289 3.545 0 40 CHAB CN(C(=O)CSCc1ccccc1Cl)C1CCCC1 216467500 JRROVWXAPKTAFC-UHFFFAOYSA-N 297.851 3.974 0 40 CHAB CCOc1ccc(C(=O)NCCCc2cccc(C)c2)cc1 219954808 ZNNGSTVFLOFXQZ-UHFFFAOYSA-N 297.398 3.756 0 40 CHAB CCNCc1c(C)[nH]c2ccc(O[C@@H](C)CC)cc12 223764329 FIHDTQJQDKTLJF-NSHDSACASA-N 260.381 3.763 0 40 CHAB CN(C)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1 225108438 IHXHRQXVJDZCCE-HNNXBMFYSA-N 290.451 3.620 0 40 CHAB CC(C)Oc1ccc(NC(=O)C2(C)CCCC2)cc1 225596164 BENLHHJNBYKMHT-UHFFFAOYSA-N 261.365 3.993 0 40 CHAB COc1ccc(NC(=S)NC2(C)CCCCC2)cc1 225847609 FGOZGHUFKHFNTP-UHFFFAOYSA-N 278.421 3.704 0 40 CHAB CC[C@@H](C)n1c(CCC(C)C)ccc1C(=O)OC 226024884 CRXAUYAALGSWMD-GFCCVEGCSA-N 251.370 3.834 0 40 CHAB C[C@H](O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 226273037 DHGXLIUHZLXWNT-JTQLQIEISA-N 275.735 3.646 0 40 CHAB CN(C)CC(F)(F)Sc1ccc(Br)cc1 256054336 VXQYCPPODDJEBU-UHFFFAOYSA-N 296.180 3.696 0 40 CHAB O=C(CC(F)(F)F)N1CCCC[C@@H](c2ccccc2)C1 390827669 IVFAPUGQSQAVMI-CYBMUJFWSA-N 285.309 3.735 0 40 CHAB Cc1ccccc1[C@@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 513041123 MZXTXNBNCRUWKE-QGZVFWFLSA-N 291.398 3.861 0 40 CHAB CCC[C@H](C)C(=O)c1ccc(OCCN2CCCC2)cc1 575359257 ZKPDEPHNGJACHZ-HNNXBMFYSA-N 289.419 3.780 0 40 CHAB O=C(Nc1ccccc1O)c1scc2c1CCCC2 91352 ADTFHCGFDBRSKV-UHFFFAOYSA-N 273.357 3.585 0 40 CHAB CCc1nnc2c3c(-c4ccccc4)csc3ncn12 93121 GIKLNKZOYKICCD-UHFFFAOYSA-N 280.356 3.568 0 40 CHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCCO3 301230 BFJCFKABYCJIOH-UHFFFAOYSA-N 294.306 3.540 0 40 CHAB CN[C@@H](C)Cc1ccccc1Sc1ccc(O)cc1 347801 YNTKLVYGQBWKPR-LBPRGKRZSA-N 273.401 3.694 0 40 CHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 364831 SZNRIJREISNQLD-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccco2)cc1 483344 FFOCOVUGHQKUOI-DHZHZOJOSA-N 283.371 3.907 0 40 CHAB Cc1noc(NC(=O)c2ccc(Cl)cc2)c1Cl 1403430 JDICKGGUWTVDRH-UHFFFAOYSA-N 271.103 3.542 0 40 CHAB O[C@H]1c2c(ccc3ccccc23)CC[C@H]1N1CCCCC1 1569697 BYQHQQHJLPNULE-IEBWSBKVSA-N 281.399 3.674 0 40 CHAB C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@]3(C)OC=O 2149468 AHZYNUWTBDLJHG-WALBABNVSA-N 250.382 3.791 0 40 CHAB Cc1nc(NCC(C)C)c2oc3ccccc3c2n1 2605767 XYXBEUUGMJHLSU-UHFFFAOYSA-N 255.321 3.752 0 40 CHAB CC(C)(C)c1ccc(COc2ccccc2C(N)=O)cc1 3323459 XJEYEAGAJUMWPF-UHFFFAOYSA-N 283.371 3.662 0 40 CHAB COc1ccc(Cl)cc1NC(=O)CC1CCCC1 3549914 RIYUXTHRAZAIHG-UHFFFAOYSA-N 267.756 3.867 0 40 CHAB O=C(Cc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 3608533 LNWBNYDTKODOQT-KRWDZBQOSA-N 283.346 3.562 0 40 CHAB Cc1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1 4331519 VFUJXXAAXTVFPL-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB Cn1ccnc1SCc1ccc(F)cc1Cl 5941963 MJXMRHZWCCCRNZ-UHFFFAOYSA-N 256.733 3.505 0 40 CHAB Cc1cc(C)cc(NC(=S)NCCc2cccs2)c1 7559924 TVGSZHLVOOOUPZ-UHFFFAOYSA-N 290.457 3.894 0 40 CHAB Cc1nc(CSCCC(=O)Nc2ccccc2)cs1 9065666 GYIFVCDOIZUGGF-UHFFFAOYSA-N 292.429 3.714 0 40 CHAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(F)cc1F 9388569 LCZRYPJSRBZNRM-VIFPVBQESA-N 295.260 3.510 0 40 CHAB CCN(C(=O)COc1ccccc1C)c1cccc(C)c1 12137005 DSVWIZAFSCOCOL-UHFFFAOYSA-N 283.371 3.735 0 40 CHAB Cc1cccnc1NC(=O)C[C@H](C)c1ccccc1 12536704 FORHPKCUNJEKKV-ZDUSSCGKSA-N 254.333 3.522 0 40 CHAB Cc1cccc(NCC(=O)Nc2c(C)cccc2C)c1 12537200 FMYYNFPOIVCMPJ-UHFFFAOYSA-N 268.360 3.662 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12753596 MDYZLCWRWJYFFF-GTNSWQLSSA-N 263.340 3.852 0 40 CHAB Cc1ccsc1C(=O)Nc1cccc2cccnc12 12926400 WXPPWXRMGRZTGU-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB Cc1ccc(NC(=O)NCc2cccs2)cc1F 13320298 WSUBJFINFKXPRI-UHFFFAOYSA-N 264.325 3.517 0 40 CHAB CSc1nc2ccc(NC(=O)C3CCC3)cc2s1 14501116 YZSDZRHHXSHPMV-UHFFFAOYSA-N 278.402 3.757 0 40 CHAB C[C@@]12CC3CC(C(=O)CN4CCCC4)(C1)C[C@](C)(C3)C2 16778648 JQXYOEYZBXRQDD-JGAFYBCUSA-N 275.436 3.648 0 40 CHAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1C 20025538 KRHKECNBEJRTRX-QGZVFWFLSA-N 295.382 3.811 0 40 CHAB Cc1ccc(N=c2cc(C(=O)O)[nH]c3ccc(C)cc23)cc1 21657775 MHKONBSJWJGAFJ-UHFFFAOYSA-N 292.338 3.715 0 40 CHAB CC(C)c1ccc(CN(C)C[C@@H](O)c2ccccc2)cc1 25718883 YHUMFBGWMJDPOI-LJQANCHMSA-N 283.415 3.975 0 40 CHAB O=C(/C=C/c1ccc2c(c1)CCO2)NC1CCCCCCC1 26068041 WDQLDMVAGWKYMJ-PKNBQFBNSA-N 299.414 3.864 0 40 CHAB C[C@H](NC(=O)C1CCC1)c1ccc(Cl)c(Cl)c1 28742808 KIHHJPPNMQSWLU-QMMMGPOBSA-N 272.175 3.971 0 40 CHAB COc1ccc2ccccc2c1[C@@H](CN)N1CCC[C@@H](C)C1 32073453 IYHLFVKGPZPWHN-RHSMWYFYSA-N 298.430 3.580 0 40 CHAB Fc1ccc(-c2nn3c(C4CC4)nnc3s2)cc1Cl 32096279 IOQMXXQRVAIUEP-UHFFFAOYSA-N 294.742 3.523 0 40 CHAB Cc1cc(C(=O)N[C@H](c2cccs2)C2CCCC2)on1 32397215 HQCIPSLNBUJJCD-AWEZNQCLSA-N 290.388 3.706 0 40 CHAB CCCCOc1cccc(CNC(=O)c2ccsc2)c1 40122178 ICUAWGNXMRDBRU-UHFFFAOYSA-N 289.400 3.857 0 40 CHAB CCCn1c(CNCc2cccc(F)c2)nc2ccccc21 40154926 OJRDVDVYFIDHPD-UHFFFAOYSA-N 297.377 3.875 0 40 CHAB CCC(CC)C(=O)NC[C@@H](c1ccccc1)N(CC)CC 40615115 ACFOCIZQXORZLB-KRWDZBQOSA-N 290.451 3.622 0 40 CHAB Cc1ccc(-c2nc(C)c(C(=O)NC(C)C)s2)c(C)c1 49519064 YGZWONCKTSSAEZ-UHFFFAOYSA-N 288.416 3.874 0 40 CHAB CC(C)N1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1 53146769 GYXQBUHLGINWOD-UHFFFAOYSA-N 288.218 3.685 0 40 CHAB Cc1cc([C@H](O)c2ccc(Br)cc2)ccc1F 55200938 GMFZYDUJDRVQPO-CQSZACIVSA-N 295.151 3.978 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)nc1 58342982 KXSPWZTYLYJPCH-MRXNPFEDSA-N 295.386 3.548 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2ccc(N)cc2Br)C1 59200825 CXZDDANPVPFKSR-AOOOYVTPSA-N 283.213 3.514 0 40 CHAB Cc1noc(C)c1NC(=O)N(C)Cc1ccccc1Cl 60343580 PDVDPXGZIWUUCR-UHFFFAOYSA-N 293.754 3.609 0 40 CHAB CC(C)(C)OC(=O)c1cc(F)cc(Br)c1 68813202 GZWYCQKQGVXHNM-UHFFFAOYSA-N 275.117 3.544 0 40 CHAB CCCC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 71908757 QZFLTAPMCKBYJP-QGZVFWFLSA-N 282.387 3.590 0 40 CHAB COc1cccc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)c1 78556270 CROJLQIRSROQEA-FKIZINRSSA-N 292.375 3.844 0 40 CHAB S=c1[nH]cc(-c2cccc(Br)c2)[nH]1 84193925 ZRDCMJXSTGMZCI-UHFFFAOYSA-N 255.140 3.502 0 40 CHAB O=C(Nc1ccc(F)cc1NC1CC1)c1ccsc1 89769673 NLBWCWGHWLTJCK-UHFFFAOYSA-N 276.336 3.714 0 40 CHAB CCCNCc1cccn1Cc1ccc(Cl)cc1 90996199 XDJMTUWTFDATTA-UHFFFAOYSA-N 262.784 3.689 0 40 CHAB CCN1CCC(c2ccc(Br)cc2)CC1 95635097 LTXQZWNUNQCUPP-UHFFFAOYSA-N 268.198 3.648 0 40 CHAB CO[C@@H](C)c1nc(Cl)cc(-c2ccccc2F)n1 96529152 PQDBWOKHHDGZRY-QMMMGPOBSA-N 266.703 3.644 0 40 CHAB Cc1cc(C)nc(N[C@@H](C)c2ccc(F)cc2F)n1 97091518 XMEMTFWYSUQBPX-JTQLQIEISA-N 263.291 3.545 0 40 CHAB Cc1ccsc1C(=O)NC1(c2nccs2)CCCC1 98010247 KPPBQWFBZYLHFH-UHFFFAOYSA-N 292.429 3.712 0 40 CHAB C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 100039546 DBPIPTPJHVEPCI-AFAVFJNCSA-N 291.350 3.541 0 40 CHAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101380084 NBDWCOHJPGBZBD-MDHDOXDCSA-N 277.795 3.895 0 40 CHAB C[C@@H](NC(=O)c1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102181840 QZSIDWSBUWMMLM-OWTLIXCDSA-N 277.795 3.895 0 40 CHAB Cc1ccccc1CSCC(=O)NCC1=CCCCC1 223396957 HIHZTTYVXANARU-UHFFFAOYSA-N 289.444 3.845 0 40 CHAB CCCNCc1c(C)n(CC(C)C)c2ccc(O)cc12 223765552 PTHQETCRQWSDQO-UHFFFAOYSA-N 274.408 3.811 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NCC2=CCCCC2)c(C)c1 224605571 NYIZLPCXHRHCOB-HNNXBMFYSA-N 287.403 3.687 0 40 CHAB C[C@@H](NC[C@@H]1CCCO1)c1ccc(OC2CCCC2)cc1 225170384 GYUQTINHPPYZEQ-KDOFPFPSSA-N 289.419 3.838 0 40 CHAB COc1cccc(NC(=S)NC(C(C)C)C(C)C)c1 225326105 SGRWTDACRRNCIK-UHFFFAOYSA-N 280.437 3.662 0 40 CHAB Cc1c(C=O)c2ccccc2n1Cc1ccc2c(c1)OCO2 226233548 RUSIZTJIJRUHPD-UHFFFAOYSA-N 293.322 3.539 0 40 CHAB Cc1ccc(C)c(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260659325 XJQAVJKSOFJMHN-YDHLFZDLSA-N 274.433 3.778 0 40 CHAB O=C(Cc1ccsc1)NC1(c2cccs2)CCCC1 390828067 OGTYEESHVFMLKO-UHFFFAOYSA-N 291.441 3.938 0 40 CHAB CCOC(=O)c1ccc(OCc2ccccc2)c(F)c1F 642814633 ODTGJDXQPBWZLY-UHFFFAOYSA-N 292.281 3.721 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(C(=O)O)nn1-c1ccccc1 204605 TWKWHPUPCOCRHI-XIKOKIGWSA-N 296.370 3.745 0 40 CHAB Cc1cccc(CSc2nnc(-c3ccco3)n2C)c1 532504 MDJZCJHYYXYMIX-UHFFFAOYSA-N 285.372 3.676 0 40 CHAB c1ccc(-c2csc3[nH]c4ccccc4[n+]23)cc1 1648656 RCBRAUDXOGLXQO-UHFFFAOYSA-O 251.334 3.635 0 40 CHAB CC(C)S(=O)(=O)C(c1ccccc1)c1ccccc1 1665710 KZCDKECACHXKSV-UHFFFAOYSA-N 274.385 3.599 0 40 CHAB Cc1ccc(C(=O)O[C@@H](C)CN2[C@@H](C)CCC[C@@H]2C)cc1 3904899 VMMIODCQIXEPNU-JYJNAYRXSA-N 289.419 3.803 0 40 CHAB O=C1N(Cc2ccccc2)[C@H](c2cccc(F)c2)C1(F)F 3195634 OURZLXWEKHKPGR-CQSZACIVSA-N 291.272 3.545 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1 6469052 BHLSQXPDIPIYIW-GWCFXTLKSA-N 250.317 3.526 0 40 CHAB Cc1cccc(C(=O)N(C)c2ccc(N3CCCC3)cc2)c1 10113717 IXWHYEHEABHNNB-UHFFFAOYSA-N 294.398 3.872 0 40 CHAB CCCCCNC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8492430 JHNNXUZGZYKNJY-AWEZNQCLSA-N 283.799 3.804 0 40 CHAB Cc1nnc(SCC(=O)c2cc(C)c(C)cc2C)s1 10031955 DKTJWQJWHDXGHO-UHFFFAOYSA-N 292.429 3.747 0 40 CHAB CC(=O)Nc1ccc(CN[C@H](C)c2cc(C)oc2C)cc1 44729302 SOZKPOXLTUBTOK-GFCCVEGCSA-N 286.375 3.706 0 40 CHAB CCc1nc(COc2cccc(Cl)c2Cl)no1 59962089 QHKDQBFJDJKYEE-UHFFFAOYSA-N 273.119 3.518 0 40 CHAB CCCNc1nc(C)cc(-c2ccc(Cl)cc2)n1 94728207 GMSLJQFLXQZZQU-UHFFFAOYSA-N 261.756 3.927 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)CCc2c[nH]c3ccccc23)C1 12923447 CSBPTYOWQYCQIA-ZIAGYGMSSA-N 284.403 3.605 0 40 CHAB Cc1cccc(NC(=O)Cc2ccc(OC(F)F)cc2)c1 20890952 PDVAAZXYXIUBJK-UHFFFAOYSA-N 291.297 3.778 0 40 CHAB Cc1ccc(CSc2nc3ncccc3[nH]2)cc1 6694323 ZLFAAJPGZNLASR-UHFFFAOYSA-N 255.346 3.559 0 40 CHAB CCNc1nc(-c2cccnc2)nc2sc(C)c(C)c12 15206967 WPLQYJUBEZVPFE-UHFFFAOYSA-N 284.388 3.802 0 40 CHAB CCCCC(=O)Nc1ccc(OCC)c2ncccc12 15840837 JSDPERWJYGKKMF-UHFFFAOYSA-N 272.348 3.762 0 40 CHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC(C)C 20486417 YKZWXTGZEZYIRA-MRXNPFEDSA-N 271.360 3.522 0 40 CHAB O=C(CCc1ccccc1O)N[C@H]1CCCc2ccccc21 8311905 QDMWMGAOBCCZFQ-KRWDZBQOSA-N 295.382 3.519 0 40 CHAB CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 29961044 ORRHMRFVXJYBMS-UHFFFAOYSA-N 292.338 3.758 0 40 CHAB Cc1cc(C[C@@H](C)NC(=O)CCCC2CCCCC2)n[nH]1 84111440 XGCUMMYJPPYYKX-CYBMUJFWSA-N 291.439 3.516 0 40 CHAB CC(C)C[C@H](C(=O)N1CCc2ccccc2C1)n1cccc1 524732885 WYVJLTXPXRYZAO-GOSISDBHSA-N 296.414 3.660 0 40 CHAB CC(C)(C)OC(=O)NCc1ccc(SC(C)(C)C)nc1 72225739 SRHKOVDGOSTFOE-UHFFFAOYSA-N 296.436 3.997 0 40 CHAB Clc1ccccc1-c1cnc(-c2ccncc2)[nH]1 216624899 ZGRYFCKQPAJKLY-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB Cc1cccc(NC(=O)Nc2cccc(/C=C/C(=O)O)c2)c1 216851748 UQJBHKLKPKMHTG-CMDGGOBGSA-N 296.326 3.737 0 40 CHAB Cc1cccc(-c2nc3cc(-n4cnnc4)cc(C)c3o2)c1 73639390 VQSYAAWRPQGACY-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1C 41091262 ZKFREOPGIDLSJM-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB CCOc1ccc(C(=O)NC(C(C)C)C(C)C)cc1C 225597253 HUOBRNVNLXSNSC-UHFFFAOYSA-N 277.408 3.804 0 40 CHAB Cc1ccc2c(c1)N[C@H](c1cc(F)cc(F)c1)CO2 96531302 BSJYISLHAOETQU-AWEZNQCLSA-N 261.271 3.819 0 40 CHAB Cc1cc(N[C@@H](c2cccc(F)c2)c2ccccn2)ncn1 96487425 DQZLELHKNBIXPQ-KRWDZBQOSA-N 294.333 3.521 0 40 CHAB O=C1C[C@@H]2c3ccccc3C(=O)C[C@@H]2c2ccccc21 140447321 QXNOHQMRONMROP-HZPDHXFCSA-N 262.308 3.727 0 40 CHAB Clc1ccc2c(c1)OC[C@H](c1cccs1)N2 96531256 XBQVKYSDKNHDSR-SNVBAGLBSA-N 251.738 3.947 0 40 CHAB CN(C)CC(F)(F)Sc1cccc(Br)c1 256051713 KHNMFOMLVYWWHN-UHFFFAOYSA-N 296.180 3.696 0 40 CHAB CC1=CC(C)(C)N([C@H](C)C(=O)O)c2ccc(Cl)cc21 260621876 PKICVMXDZBPTMF-SNVBAGLBSA-N 279.767 3.815 0 40 CHAB Cc1ccc(Oc2cccc(F)c2OC[C@@H](C)N)cc1 585261708 ZIJIERPBEKZZCH-GFCCVEGCSA-N 275.323 3.652 0 40 CHAB CO[C@H](C(=O)Nc1c(C)cccc1C)c1ccccc1 95436753 JSHUAOLKJXFLBO-INIZCTEOSA-N 269.344 3.630 0 40 CHAB CCOC(=O)/C(=C\c1ccc(Cl)cc1)N(CC)CC 5807510 SDUDDSUANBGCCP-SDNWHVSQSA-N 281.783 3.586 0 40 CHAB Cc1oc(C)c(C(=O)Nc2ccc3c(c2)CCC3)c1C 15720864 CTVBVTXKYXJBPE-UHFFFAOYSA-N 269.344 3.946 0 40 CHAB C[C@H]1CCCC[C@@H]1N1CCN(C[C@H]2CC=CCC2)CC1 19900112 ADQAWJJCVOTDOE-BZSNNMDCSA-N 276.468 3.539 0 40 CHAB CC(C)(C)C(=O)Nc1cc(Cl)c2nc(N)sc2c1 226308734 KXKVISWUHJQLRN-UHFFFAOYSA-N 283.784 3.517 0 40 CHAB Cc1ccc(CNc2cc(C)c(Cl)c(C)c2)nn1 334597247 IVBFNMHODJZKNJ-UHFFFAOYSA-N 261.756 3.667 0 40 CHAB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccccc1Cl 100449805 HCWQYJDKWBKTPF-PHIMTYICSA-N 280.751 3.804 0 40 CHAB COc1ccc(CNC2(c3ccccc3)CCC2)cc1O 51188665 DXKKATLOFJHMCR-UHFFFAOYSA-N 283.371 3.570 0 40 CHAB O=C(O)c1cc2sccc2n1CCc1ccccc1 32501249 RGGIWFRAURWRGZ-UHFFFAOYSA-N 271.341 3.644 0 40 CHAB F[C@@]1(Br)[C@H]2[C@H]1[C@H]1[C@@H]([C@@H]3C=C[C@H]1C31CC1)C21CC1 102899208 PQVHWNNEXXKKEF-FUUJXVPSSA-N 295.195 3.915 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccc(C(F)(F)F)cc1 567939 SEPWWQXPLFECMH-BQYQJAHWSA-N 281.233 3.950 0 40 CHAB CC(=O)c1cccc(NC(=O)COc2c(C)cccc2C)c1 118068 CDFQFURMRDGLSP-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB O[C@@]1(c2ccccc2)CCCc2ccc(Cl)cc21 1600029 GTWYBDFYNDNKGW-MRXNPFEDSA-N 258.748 3.912 0 40 CHAB O[C@@H](CN1CCCCC1)c1cc(Cl)cc(Cl)c1 1665669 NWESNANXXUZJMA-ZDUSSCGKSA-N 274.191 3.513 0 40 CHAB O=C(NC(=O)c1ccccc1)Oc1cccc2ccccc12 1719902 BSPNIIWSOVAZAD-UHFFFAOYSA-N 291.306 3.769 0 40 CHAB c1ccc2c[n+](CCc3c[nH]c4ccccc34)ccc2c1 1756902 KKIHRSOSAQOLLN-UHFFFAOYSA-N 273.359 3.851 0 40 CHAB CCCC(=O)Nc1ccc(OC)c(OC2CCCC2)c1 24505281 LSXAOORHXRGTSN-UHFFFAOYSA-N 277.364 3.755 0 40 CHAB CN(C)C(=S)c1ccc(OCc2ccccc2)cc1 9188225 AIVIKNUNZJJFMN-UHFFFAOYSA-N 271.385 3.503 0 40 CHAB Cc1cccc(OCC(=O)Nc2ccccc2C2CC2)c1 9592471 TURQOIOUFOAINU-UHFFFAOYSA-N 281.355 3.890 0 40 CHAB CC[C@]1(C)C[C@@H]([C@@H](CCN)c2ccccc2)CCO1 2151400 XFYDEOVNLBSXAJ-YESZJQIVSA-N 261.409 3.714 0 40 CHAB biogenic FC(F)(F)c1ccccc1CNCc1ccccc1 57364353 GPRZDEKYRQQDHZ-UHFFFAOYSA-N 265.278 3.995 0 40 CHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1F)C2 11327594 QYNPDWVXKBVRCY-HNNXBMFYSA-N 287.359 3.790 0 40 CHAB O=C(c1ccc(Cl)o1)N1CCC[C@H]1c1cccs1 22699946 IKXNCFOTPKBQNR-VIFPVBQESA-N 281.764 3.972 0 40 CHAB CSc1nc(O)c2scc(-c3ccc(F)cc3)c2n1 62591984 YHIKCPLXOOGFOU-UHFFFAOYSA-N 292.360 3.925 0 40 CHAB OCCCC[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@@H]21 4027137 SOMZBPWPSAMGPQ-HZMVEIRTSA-N 264.409 3.833 0 40 CHAB biogenic O=C(Nc1ccc(F)c(F)c1)c1c[nH]c2ccccc12 14230601 HFGNUYQMPYETBD-UHFFFAOYSA-N 272.254 3.698 0 40 CHAB CCCCCCNC(=O)Cc1ccc(Br)cc1 4616692 PRKPYKAUKGVBSK-UHFFFAOYSA-N 298.224 3.688 0 40 CHAB O=C(/C=C/c1cccs1)Nc1c(F)cccc1F 9313586 GZLPMWOCWYVGTP-VOTSOKGWSA-N 265.284 3.678 0 40 CHAB Cc1ccsc1CN(C)C(=O)Nc1ccccc1 9911270 USPDZOMKGJOWBG-UHFFFAOYSA-N 260.362 3.720 0 40 CHAB CCCCCn1c([C@H]2CCCN2C(C)=O)nc2ccccc21 21524481 LEOAZOJPBVCGIV-QGZVFWFLSA-N 299.418 3.910 0 40 CHAB CN(Cc1cccc(N)c1)c1ncc(Cl)cc1Cl 37672515 LAFPGDGUDTTXMV-UHFFFAOYSA-N 282.174 3.607 0 40 CHAB Fc1cccc(CNC(=S)Nc2ccc(Cl)cc2)c1 33431959 TUKBMGAMSNNZNO-UHFFFAOYSA-N 294.782 3.966 0 40 CHAB COc1cccc(C2=Nc3ccccc3NC=C2)c1 38701091 UXNAFXVQQHEZFQ-UHFFFAOYSA-N 250.301 3.755 0 40 CHAB CSc1ccccc1C(=O)NCc1cc(C)oc1C 70640359 QMSLQAPYPZISSK-UHFFFAOYSA-N 275.373 3.548 0 40 CHAB Cc1cocc1C(=O)N1CCC[C@H]1c1ccccc1 527759937 CZISKDWQSVTIOO-HNNXBMFYSA-N 255.317 3.565 0 40 CHAB COc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72211690 IIQADJJBRGAKIV-QGZVFWFLSA-N 282.387 3.817 0 40 CHAB COc1ccccc1C(=O)N(Cc1ccsc1)C1CC1 44446520 SWEUMICKXIMWIW-UHFFFAOYSA-N 287.384 3.562 0 40 CHAB CC(C)(C)c1ccc(OC2CNC2)c(C(C)(C)C)c1 42769570 RWCMNENISZVCRZ-UHFFFAOYSA-N 261.409 3.632 0 40 CHAB Cc1ccc(C)c(CC(=O)NC[C@H](C)c2ccccc2)c1 224392024 YDPJQBQZZYTXNE-INIZCTEOSA-N 281.399 3.766 0 40 CHAB COc1ccc(CCC(=O)Nc2ccccc2OC)cc1C 225695422 VTZVAEJYQHIQQA-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2C1 143190313 FUSWZQXPUSGYPO-ZIAGYGMSSA-N 289.762 3.576 0 40 CHAB Fc1ccc(CNc2ncnc3ccccc23)c(F)c1 50197773 TULWNYALNROCGB-UHFFFAOYSA-N 271.270 3.520 0 40 CHAB FC(F)(F)[C@H](Cc1ccncc1)NC[C@@H]1CC=CCC1 96476732 JTXOERXOJMBTDM-KGLIPLIRSA-N 284.325 3.501 0 40 CHAB CC[C@H](C)Oc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 260571727 BHVLXDWIQYEEEP-JJRVBVJISA-N 277.408 3.694 0 40 CHAB Cc1ccc(Cl)cc1C(=O)c1ccc(N(C)C)cc1 95916597 DNDKYMLQOCQDOS-UHFFFAOYSA-N 273.763 3.945 0 40 CHAB CC(C)CCNC(=O)/C(=C/c1ccco1)c1ccccc1 5205832 MQIUBFPMTIPZIP-GHRIWEEISA-N 283.371 3.983 0 40 CHAB Cc1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)n1 12523450 WLAGVPQPLWJGSW-UHFFFAOYSA-N 296.248 3.541 0 40 CHAB Fc1ccc(Br)c(OC2CCCC2)c1 160274393 QBADKYAVFXANOI-UHFFFAOYSA-N 259.118 3.910 0 40 CHAB O=C(N[C@H](c1ccccc1)c1cccs1)c1ccoc1 12852881 LIUMBDQZTSSAEC-OAHLLOKOSA-N 283.352 3.861 0 40 CHAB C[C@H](NC(=O)c1ccccc1O)c1cccc(Cl)c1 12999631 RLAWJHKSXZELKV-JTQLQIEISA-N 275.735 3.537 0 40 CHAB CCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 4031452 UXGKTCBIZCIONB-UHFFFAOYSA-N 260.362 3.775 0 40 CHAB CCCc1ccc(C(=O)NCc2ccsc2)cc1 13698118 ZESFDSHRIMHIFG-UHFFFAOYSA-N 259.374 3.631 0 40 CHAB CCCC[C@@H](CC)C(=O)c1cccc(C(=O)OC)c1 575362227 AQQNJGIWIYMIJN-GFCCVEGCSA-N 262.349 3.872 0 40 CHAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(F)c2)cc1 42652785 UXHFADUKRGSHIR-MDZDMXLPSA-N 291.347 3.547 0 40 CHAB CC[C@@H](C)N(C(=O)c1ccc(F)cc1)[C@H](C)CC 6115845 RPMHMSPVDYKIEA-VXGBXAGGSA-N 251.345 3.865 0 40 CHAB C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccccn1 20123784 HZMWQSQIQIEMSN-CXAGYDPISA-N 252.361 3.810 0 40 CHAB CCN(Cc1ccccc1)c1ccc(Cl)cc1N 20486184 FUMLSEQDDQESQX-UHFFFAOYSA-N 260.768 3.949 0 40 CHAB CC(C)(C)C(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 32104880 BWWHFUQPCJTDTB-UHFFFAOYSA-N 270.376 3.705 0 40 CHAB C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccccc1 32674522 OXWWRCCXQBUGQS-OAHLLOKOSA-N 293.410 3.985 0 40 CHAB CC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 42091778 NGFOWIHIQSBMSP-GFCCVEGCSA-N 297.358 3.528 0 40 CHAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1 94347 UHRNADMUYWBIMP-GFCCVEGCSA-N 289.762 3.596 0 40 CHAB CCc1sc(N)nc1-c1ccc(Br)cc1 151410 OAOCOZZWHGYZLK-UHFFFAOYSA-N 283.194 3.717 0 40 CHAB O=C(Nc1ccccc1Br)c1ccccc1F 241666 UENBHJJEMBLHSZ-UHFFFAOYSA-N 294.123 3.841 0 40 CHAB CCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 795762 OXWKANBHILMIKE-UHFFFAOYSA-N 281.768 3.597 0 40 CHAB O=C(Nc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 1058355 UKOAZIHMBPIBPU-OPQQBVKSSA-N 264.756 3.650 0 40 CHAB C[C@@H]1CCc2nc(NC(=O)c3ccccc3)sc2C1 1512515 JNCDGDYAQHIVOU-SNVBAGLBSA-N 272.373 3.520 0 40 CHAB C[C@H](NC[C@@H]1CC=CCC1)c1ccc(N2CCCC2=O)cc1 79064270 SEDKIYSEGBUOIX-JKSUJKDBSA-N 298.430 3.820 0 40 CHAB C[C@@H]1C(c2ccccc2)=CCON1c1ccccc1 1629190 LWIIQRRUWYVXDV-CQSZACIVSA-N 251.329 3.910 0 40 CHAB CCSCCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 1665519 AHHCIGZRDUITRB-RYUDHWBXSA-N 256.411 3.521 0 40 CHAB CC(=O)CC(=O)O[C@H](CC(C)C)C[C@@H](C)CC(C)C 1665821 KVEZJNRZRRMMIV-DZGCQCFKSA-N 270.413 3.996 0 40 CHAB CC(=O)c1ccc[n+](Cc2c(Cl)cccc2Cl)c1 1727267 GPQHDPXNLRKHEC-UHFFFAOYSA-N 281.162 3.532 0 40 CHAB O=C(COC(=O)c1ccc2ccccc2c1)c1ccccc1 3389582 SDASZUPREZZCIO-UHFFFAOYSA-N 290.318 3.880 0 40 CHAB O[C@]12CCCC[C@H]1[C@]1(O)CCCC[C@@H]1C1(CCCCC1)O2 4005910 GATCEJCAKDSFNO-FZCLSBEQSA-N 294.435 3.520 0 40 CHAB CCN(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 105663378 RDKKZTVQAHNITN-YDHLFZDLSA-N 274.433 3.576 0 40 CHAB Cc1cccc(NC(=O)c2cc3sccc3n2C)c1 4971073 KTDLGHGLDFPKLW-UHFFFAOYSA-N 270.357 3.801 0 40 CHAB O=C(CSc1nncc2ccccc12)c1cccs1 6829914 QSDDSEUWIJWFAD-UHFFFAOYSA-N 286.381 3.666 0 40 CHAB O=C(Nc1ccccc1F)c1ccc(N2CCCC2)cc1 7382818 DNJVWRSFWNHELB-UHFFFAOYSA-N 284.334 3.678 0 40 CHAB COc1ccc(-c2cc(=O)c3ccccc3s2)cc1 3199812 ZLYYLYIZXHSKBL-UHFFFAOYSA-N 268.337 3.937 0 40 CHAB CCCCC1CCC(C(=O)NC[C@@H]2CCCOC2)CC1 55920369 IATHZPDIIVWXKI-PCKAHOCUSA-N 281.440 3.526 0 40 CHAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1 12536748 DHSVDZCKVFBUEM-SFHVURJKSA-N 288.350 3.601 0 40 CHAB CCc1ccc(/C=C/C(=O)Nc2ccc(O)cc2)cc1 52838574 AZBKOVAPKXMPCD-KPKJPENVSA-N 267.328 3.607 0 40 CHAB CN(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 57536163 LMCXPRGDICTVHO-UHFFFAOYSA-N 286.718 3.758 0 40 CHAB Cc1ccsc1CN(C)C(=O)NCc1ccc(F)cc1 44890957 LUAONSBUTQSCNY-UHFFFAOYSA-N 292.379 3.537 0 40 CHAB C[C@]1(NC(=O)NCC2CCCC2)CCCc2ccccc21 58265716 BJWFDRCFHPEJPR-SFHVURJKSA-N 286.419 3.728 0 40 CHAB C[C@H]1CCCN([C@H](CN)c2cccc(Cl)c2Cl)C1 108349980 GKTKLFLXYDSQAX-GXFFZTMASA-N 287.234 3.725 0 40 CHAB Cc1ccc([C@H]2C=C(c3ccccc3)NC(=S)N2)cc1 51329824 ZJSGHFOGTUQIKV-MRXNPFEDSA-N 280.396 3.555 0 40 CHAB OC1=NC(=S)S/C1=C/c1cc2ccccc2o1 56668091 MCIXPJLOMAXCER-UXBLZVDNSA-N 261.327 3.762 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)NCC1CCCCC1 23020479 YUELNVNGQVZKBD-DHZHZOJOSA-N 261.340 3.535 0 40 CHAB COc1ccc(Cl)cc1C(=O)NCc1ccc(C)cc1 3554350 RYTPGBKJRWDWEK-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB COc1cc(O)c(C)c(CCc2ccccc2OC)c1 13335236 QFKRHRIRDDHCRT-UHFFFAOYSA-N 272.344 3.503 0 40 CHAB biogenic,in-vitro O=C1c2ccccc2N[C@H](c2ccccn2)N1C1CCCC1 9377338 LJTNQLFSXMUUBU-KRWDZBQOSA-N 293.370 3.591 0 40 CHAB Clc1cccc(Nc2nnc(-c3ccco3)o2)c1 7652387 JAQTZNBQXBDIJA-UHFFFAOYSA-N 261.668 3.727 0 40 CHAB O=C(NCc1ccccc1F)c1cc(Cl)ccc1F 16053450 WXGDQKHBOSDIDV-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CCOc1ccccc1C(=O)Oc1ccc(C)cc1C(C)=O 113839005 VLARFQRYUIIOEJ-UHFFFAOYSA-N 298.338 3.816 0 40 CHAB C[C@H](NCc1ccc(CO)o1)c1ccc2c(c1)CCCC2 71915084 BXNHFDPJALZNFU-ZDUSSCGKSA-N 285.387 3.502 0 40 CHAB CC[C@H]1CC[C@@H](C)N1c1ccc(Br)cn1 95458744 FVKRWELDIAYQFM-KOLCDFICSA-N 269.186 3.611 0 40 CHAB C[S@@](=O)c1cccc(NCc2cccc3cccnc23)c1 95428777 IOFCUFZWAMOLHQ-NRFANRHFSA-N 296.395 3.584 0 40 CHAB CC(C)c1ocnc1C(=O)N1CCC2(CCCC2)CC1 97002427 HVPQVSSXMPDDHT-UHFFFAOYSA-N 276.380 3.594 0 40 CHAB CN(C(=O)[C@@H]1C[C@@H]1c1ccco1)c1nc2ccccc2s1 89365674 QSGJOKJLXMZEJZ-WDEREUQCSA-N 298.367 3.656 0 40 CHAB Cc1cc(C)c(C)c(S[C@H]2CCCCNC2=O)c1C 22987841 UNGGPSZUQRGWRU-AWEZNQCLSA-N 277.433 3.681 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@]12CCNc1ccccc12 521396027 IACRXKJFUFVPEJ-KRWDZBQOSA-N 288.391 3.728 0 40 CHAB Cc1cc(NC(=S)Nc2ccccc2)ccc1F 71759374 PLMBEYXXTAQFFV-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB Cc1cc(NC(C)(C)C)ncc1[C@H](N)c1ccccc1 72223980 WBJQHVXETUCJGM-MRXNPFEDSA-N 269.392 3.649 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)CCO2 32796308 UJWYTMQAIKUKFN-FPYGCLRLSA-N 299.757 3.927 0 40 CHAB CC(C)Oc1ccc(C(=O)NCC2CCCCC2)cc1 224273400 SJMQWLRHMKRCKG-UHFFFAOYSA-N 275.392 3.784 0 40 CHAB Cc1cc(N)cc(Br)c1N1CCC(C)CC1 45886497 LNKRDNRKFKESPS-UHFFFAOYSA-N 283.213 3.576 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)CCCc1ccccc1 40107380 QIMAMLAZCAEJKI-HNNXBMFYSA-N 297.398 3.895 0 40 CHAB CCOc1ccc(NC(=O)C(C)(C)C)c2cccnc12 225880011 MAHUNGLWMOEVQW-UHFFFAOYSA-N 272.348 3.618 0 40 CHAB Clc1ccc(Br)c([C@@H]2CCCN2)c1 84623595 MDNASMVGOMKAHN-JTQLQIEISA-N 260.562 3.527 0 40 CHAB CC(C)n1nccc1NC(=O)N1C[C@H](C)CCC[C@@H]1C 98014220 KPZNRVYOJZPIHZ-OLZOCXBDSA-N 278.400 3.506 0 40 CHAB CCCOc1c(C)cc(C(=O)C(F)(F)F)cc1C 95731717 BTRGAGNEWHMHQY-UHFFFAOYSA-N 260.255 3.837 0 40 CHAB CC(C)(NC(=O)NCc1ccccc1F)c1ccccc1 74628429 LQDZHTUMOCBQEF-UHFFFAOYSA-N 286.350 3.560 0 40 CHAB COc1ccc(Cl)cc1NCc1cn2ccccc2n1 20048813 GKXYNOMCMNYJCE-UHFFFAOYSA-N 287.750 3.608 0 40 CHAB Fc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 17515634 CPTLZSVHTYBBLU-UHFFFAOYSA-N 282.290 3.913 0 40 CHAB Fc1cccc(Br)c1NCC(F)(F)F 232125795 NIZVKIJSOSOCPB-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB Cc1ccc(OCc2nnc(-c3ccccc3)o2)cc1C 5747002 DMYVQHVRVVXLFA-UHFFFAOYSA-N 280.327 3.932 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc2cccnc12 12923045 YIICVHRRJITHEL-CFVMTHIKSA-N 280.371 4.000 0 40 CHAB COc1ccc(OC)c(/C=C\c2cnnc3ccccc23)c1 16998888 VKBHPOSMLJQUEV-FPLPWBNLSA-N 292.338 3.817 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2ccc(C)cc2C)c1 3482540 MFLCKMWHRHQUAI-CSKARUKUSA-N 281.355 3.964 0 40 CHAB CCc1ccccc1OCC(=O)Nc1ccc2c(c1)CCC2 3609649 CICIEACGIRZNQK-UHFFFAOYSA-N 295.382 3.755 0 40 CHAB O=C(c1cccs1)N1CCC(c2cccs2)CC1 75157006 GQIBUKKLRRDDPH-UHFFFAOYSA-N 277.414 3.829 0 40 CHAB COC(=O)c1ccc(CSc2ccc(C)cc2)o1 78820174 ZITWHIWSXHDLSU-UHFFFAOYSA-N 262.330 3.667 0 40 CHAB COc1cccc(C(=O)Nc2nc3c(C)cccc3s2)c1 1516566 PFBYFPKAZZDLFW-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB Cc1cc(C)c2sc(NC(=O)c3ccccc3C)nc2n1 11666324 NARRHLUIFKOSLV-UHFFFAOYSA-N 297.383 3.869 0 40 CHAB COc1cccc(NC(=O)Cc2coc3ccc(F)cc23)c1 15083980 FSGDNPSAJLFBBG-UHFFFAOYSA-N 299.301 3.762 0 40 CHAB O=C(O)/C=C\c1ccc(OCc2ccc(F)cc2)cc1 11896393 KOLALLMUHXRTGD-YHYXMXQVSA-N 272.275 3.503 0 40 CHAB CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 40156498 NDABWIFYEPHMIM-UHFFFAOYSA-N 275.179 3.543 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(Cl)cc2)c(=S)[nH]1 141081 VAXVFFRQHJFORY-UHFFFAOYSA-N 292.791 3.636 0 40 CHAB c1ccc2c(Nc3nc(C4CC4)cs3)ncnc2c1 31949206 XTAZLYMNKRPHGL-UHFFFAOYSA-N 268.345 3.707 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(F)c(F)cc2Cl)C1 20569346 IMSFIVYEZFDDPY-RKDXNWHRSA-N 287.737 3.736 0 40 CHAB Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1F 32502172 GGIQYMJSOSBPTJ-UHFFFAOYSA-N 270.259 3.613 0 40 CHAB O=C(c1cccc(F)c1)N1CCC(Cc2ccccc2)CC1 327244 UQESQOKBGKWPOI-UHFFFAOYSA-N 297.373 3.921 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(SC)cc2)o1 32824697 NXJXWVMEYMZYDO-UHFFFAOYSA-N 261.346 3.816 0 40 CHAB CCC(C)(C)NC(=O)CNc1ccc2ccccc2c1 42299252 UWMVPJKSLNRFIW-UHFFFAOYSA-N 270.376 3.557 0 40 CHAB Cc1ccc(C(=O)n2cnc3cc(C)c(C)cc32)cc1C 117370 UQZARGOUKAIDDK-UHFFFAOYSA-N 278.355 3.958 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(C)c2)c1C 429483 DBKHPAKLVLWMBP-UHFFFAOYSA-N 284.359 3.703 0 40 CHAB CCC(=O)N1c2ccccc2[C@@H]2OCC[C@H]2[C@@H]1c1ccco1 489044 GMILVLBJMWHFQE-VHSSKADRSA-N 297.354 3.855 0 40 CHAB biogenic Cc1ccc(NC(=O)c2c(C)cc(C)cc2C)nc1 799494 VHEHDNZSMAAZKT-UHFFFAOYSA-N 254.333 3.568 0 40 CHAB CCC(=O)N1c2ccccc2[C@@H]2OCC[C@@H]2[C@H]1c1ccco1 1424550 GMILVLBJMWHFQE-BVGQSLNGSA-N 297.354 3.855 0 40 CHAB biogenic COc1c2nc(C)cc(C)c2cc2c(C)c(C)n(C)c12 1442064 OYQBNFCEFHOKMT-UHFFFAOYSA-N 268.360 3.969 0 40 CHAB Nc1ccccc1/C=C(/C(=O)O)c1ccc(Cl)cc1 1591891 NVUPTMBFVVWOLS-UKTHLTGXSA-N 273.719 3.547 0 40 CHAB COc1ccc2c(O)cc(C(=O)O)c(-c3ccccc3)c2c1 1628307 IVAMCYGKYZEZGH-UHFFFAOYSA-N 294.306 3.919 0 40 CHAB CCN(CC)C[C@@H](C)C(O)(c1ccccc1)c1ccccc1 2048511 LYKGLTYXVNAOPD-QGZVFWFLSA-N 297.442 3.900 0 40 CHAB c1csc(CNC2=Nc3ccccc3CS2)c1 3052293 VPSMRIMKVWSOBM-UHFFFAOYSA-N 260.387 3.772 0 40 CHAB COc1cccc(CNC(=O)c2cccc3ccccc23)c1 3398776 SWQRHEJWOKWUPC-UHFFFAOYSA-N 291.350 3.778 0 40 CHAB CC(=O)Oc1c(-c2ccccc2)[nH]c2ccccc12 3844664 HBYQABWTZTURJP-UHFFFAOYSA-N 251.285 3.760 0 40 CHAB CCC1(CC)Cc2cc(OC)c(OC)cc2C(C)=N1 4064742 PGCCLTFWWXYKPS-UHFFFAOYSA-N 261.365 3.628 0 40 CHAB biogenic Cc1sc2c(c1C)C(=O)N[C@H](/C=C/c1ccccc1)N2 4501923 IAZQFCUQPLFKBN-XEHSLEBBSA-N 284.384 3.560 0 40 CHAB CCNC(=S)NCCC(c1ccccc1)c1ccccc1 4551589 BZMHJVYHWZGDOW-UHFFFAOYSA-N 298.455 3.693 0 40 CHAB COc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1CC2 5004474 WEGOBZDECLEAOK-NXHRZFHOSA-N 288.387 3.790 0 40 CHAB CCCCCNC(=O)[C@H](C)Sc1ccc(C)cc1 6597252 JNIFPWWLLVTOAP-ZDUSSCGKSA-N 265.422 3.782 0 40 CHAB Cc1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 6638417 RZYAHXAMJCMUOR-UHFFFAOYSA-N 286.278 3.723 0 40 CHAB O=C(COc1ccc(F)cc1Cl)NC1CCCCCC1 8275178 SPCXUDKKRKFJNG-UHFFFAOYSA-N 299.773 3.697 0 40 CHAB Cc1ccc2nc(C)c(CN3CCCCCC3)c(O)c2c1 8700840 GODGRUBVTDXABX-UHFFFAOYSA-N 284.403 3.933 0 40 CHAB Cc1ccc(Cl)cc1NCc1ccc(C(=O)O)o1 8729675 FEIRACXXOILNGI-UHFFFAOYSA-N 265.696 3.552 0 40 CHAB CN(Cc1ccc(F)cc1)Cc1nnc(-c2ccccc2)o1 12601249 NLAXGZLDNOALRC-UHFFFAOYSA-N 297.333 3.508 0 40 CHAB Fc1ccc(NC(=S)NCc2ccccc2F)c(F)c1 13937071 NLOOVTSKTNKNMO-UHFFFAOYSA-N 296.317 3.591 0 40 CHAB CNc1nc(-c2ccc(SC)c(NC(C)=O)c2)cs1 14102937 HQIDJCHDVIWNIJ-UHFFFAOYSA-N 293.417 3.532 0 40 CHAB CCCCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 14258426 VLEQZRIPQUWNQU-UHFFFAOYSA-N 276.380 3.800 0 40 CHAB CSc1ccc(CNCCc2ccccc2F)cc1 20275292 BCKPQYYTCKAZML-UHFFFAOYSA-N 275.392 3.880 0 40 CHAB O=C(NCc1cccs1)Nc1ccc(Cl)cc1F 20479849 ZCHYFDDKYOMLSL-UHFFFAOYSA-N 284.743 3.862 0 40 CHAB Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 21516353 CSRHLEDIFGWHAZ-UHFFFAOYSA-N 281.359 3.792 0 40 CHAB in-vitro O=C(O)c1cc(-c2ccccc2F)nc2onc(C3CC3)c12 22218559 HSCNSRQQNPFKTB-UHFFFAOYSA-N 298.273 3.605 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1cccc(Cl)c1F 23224338 UXAWIXBJBORUSX-UHFFFAOYSA-N 296.729 3.655 0 40 CHAB Cc1ccc(O)c(C(=O)N(C)Cc2ccccc2Cl)c1 23491684 QBLANTNSMWCLFZ-UHFFFAOYSA-N 289.762 3.626 0 40 CHAB Cc1cccc(NC(=O)c2ccc(CSC(F)F)o2)n1 30557436 HBCOXPNXJDFCFG-UHFFFAOYSA-N 298.314 3.691 0 40 CHAB CC(C)CCC(=O)N1CCc2sccc2[C@@H]1C 32781422 TXFVMTJGKIHSMW-NSHDSACASA-N 251.395 3.630 0 40 CHAB CCOC(=O)/C=C/c1ccc(-c2ccccc2)cc1 33847828 LYNHIVQASBBHFQ-JLHYYAGUSA-N 252.313 3.930 0 40 CHAB CC(C)[C@H](NCc1ccc(-c2ccccc2)cc1)C(=O)O 35391898 DUTGFYLOPDJXHO-KRWDZBQOSA-N 283.371 3.552 0 40 CHAB O=C(COC1CCCCC1)N[C@@H]1CCCc2ccccc21 40140227 OJBWJANVFMGNOQ-QGZVFWFLSA-N 287.403 3.530 0 40 CHAB Clc1cc(-c2ccccc2)ccc1OC[C@H]1CCNC1 42770767 PIUSXJQWXHFWLY-ZDUSSCGKSA-N 287.790 3.995 0 40 CHAB Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)no1 44416158 GKDJTJSYPCGFCO-UHFFFAOYSA-N 291.660 3.662 0 40 CHAB CCOC(=O)c1scc(-c2ccc(Cl)cc2)c1N 62710384 MRRIGGPQHYPCOR-UHFFFAOYSA-N 281.764 3.827 0 40 CHAB O=C(Nc1ccc(Nc2ccccc2)nc1)C1CCC1 65515806 LYUZQBCAQZWVSD-UHFFFAOYSA-N 267.332 3.564 0 40 CHAB Cc1ccccc1COc1ccc(-c2nnco2)cc1 65594796 GYZOHLDSMNUGJH-UHFFFAOYSA-N 266.300 3.624 0 40 CHAB COc1ccc(-c2cn3cccc(Cl)c3n2)cc1 71255959 XHQGIOABLJGHKT-UHFFFAOYSA-N 258.708 3.663 0 40 CHAB O=C(NCc1ccc(F)c(Cl)c1)c1cccc(F)c1 72331474 ORQDLSCLKUMZDP-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB Cc1ccc(CNc2c(F)c(F)nc(F)c2F)cc1 79046748 NVYAFHNOSTXVRZ-UHFFFAOYSA-N 270.229 3.559 0 40 CHAB COc1ccccc1-c1noc([C@@H]2C[C@@H]2c2ccco2)n1 83982731 DKDOCGMDSKVVOE-NWDGAFQWSA-N 282.299 3.609 0 40 CHAB Cc1nc(CNc2cc(F)ccc2Br)oc1C 95411012 CHUNFRLMWBRWEK-UHFFFAOYSA-N 299.143 3.805 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)c(C)c2)c(OC)c1 95916517 PWYUBJBJNDZFOV-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB CC1(C)CCN1C(=O)c1cccnc1Nc1cccc(F)c1 96446816 PGBHCYLCBSGSLK-UHFFFAOYSA-N 299.349 3.589 0 40 CHAB CC(=O)Nc1ccc(N[C@H](C)CSC(C)(C)C)cc1 97045609 UNOMYSYCLCRIFE-LLVKDONJSA-N 280.437 3.977 0 40 CHAB Cc1cc2cc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)ccc2[nH]1 105572339 BVNFJECAQANATP-SLEUVZQESA-N 268.360 3.851 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCC[C@H](C)C1 216383472 NDTGMNCLUPAFNB-SUMWQHHRSA-N 289.419 3.719 0 40 CHAB CC(C)Oc1ccccc1C(=O)NC(C(C)C)C(C)C 219732473 ORJVXIUUDZSTLR-UHFFFAOYSA-N 277.408 3.884 0 40 CHAB Cc1ccccc1C(=O)CCC(=O)c1cccs1 221781434 UOGSIBRLXXMERN-UHFFFAOYSA-N 258.342 3.902 0 40 CHAB Fc1cccc(C2=NCc3ccccc3-n3cccc32)c1 225372938 RRYKMSMZRXIGPI-UHFFFAOYSA-N 276.314 3.967 0 40 CHAB CCC1(CC)C[C@H](NC(=O)C2CC2)c2ccccc2O1 225382295 SBRSLHSWZXWAIZ-AWEZNQCLSA-N 273.376 3.595 0 40 CHAB CCC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1C 225578377 ZZQOMDLHZADYIH-GOSISDBHSA-N 267.372 3.919 0 40 CHAB CCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCCCC1 225709760 AYKGAVRNTKVPEY-UHFFFAOYSA-N 291.391 3.682 0 40 CHAB COc1cccc(NC(=O)NC(C)(C)Cc2ccccc2)c1 225765215 VYAFUAPXDVRCDV-UHFFFAOYSA-N 298.386 3.838 0 40 CHAB CCCCNCc1ccc(Cc2ccco2)n1CC 226021519 YMKAQKDDIFBBSN-UHFFFAOYSA-N 260.381 3.582 0 40 CHAB CCCc1nc2ccncc2c(Cl)c1Br 242688666 VWHVINAAHCLUIL-UHFFFAOYSA-N 285.572 3.998 0 40 CHAB CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCO[C@]2(CCSC2)C1 248427388 PCTABRSVSCXOCC-MWDXBVQZSA-N 295.492 3.623 0 40 CHAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1ccoc1 390829611 FJEAKXYYJGNWKI-ZDUSSCGKSA-N 281.421 3.806 0 40 CHAB O=Cc1cccc(-c2cccc(Br)c2)c1 1256441 KWNAGYUQQCUXKX-UHFFFAOYSA-N 261.118 3.929 0 40 CHAB Cc1ccc(C)n1[C@H](CCO)c1cccc(Cl)c1 1384615 XSVVXIYJPGSYIQ-OAHLLOKOSA-N 263.768 3.730 0 40 CHAB Cc1ccc(-c2csc(Cc3nc(O)cs3)n2)cc1 1395300 PALIEHRDWPXNPF-UHFFFAOYSA-N 288.397 3.871 0 40 CHAB FC(F)(F)c1cccc(-c2nc(-c3ccccn3)no2)c1 1400920 FZTXNLFUEFOVRO-UHFFFAOYSA-N 291.232 3.817 0 40 CHAB COc1ccc2c(c1OC)[C@@H]1CCCC[C@@H]1SCC2=O 1653749 HIGXJWNBEAVHPT-RISCZKNCSA-N 292.400 3.660 0 40 CHAB O=C(c1ccc(F)cc1)c1ccccc1CN1CCCC1 2515561 NBOFRIRCITVUQY-UHFFFAOYSA-N 283.346 3.653 0 40 CHAB CCOC(=O)/C=C(\C)Nc1ccc2c(C)c(C)n(C)c2c1 4709780 RSGZZLFUEXMVKG-PKNBQFBNSA-N 286.375 3.674 0 40 CHAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC1 5422640 FFXXGEKJJQFQMI-UHFFFAOYSA-N 288.350 3.748 0 40 CHAB CCN(CC)c1nc2ccc(C)cc2nc1N(CC)CC 5453949 SWGRNAJWLLJIEC-UHFFFAOYSA-N 286.423 3.631 0 40 CHAB CCCC[C@]1([C@H](O)CC)Sc2ccccc2N1C 5499254 QNWPKOJOIYNYEB-HUUCEWRRSA-N 265.422 3.886 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1ccc(OC(F)F)cc1 5617624 IABSAIKTQAJBHT-UHFFFAOYSA-N 295.260 3.988 0 40 CHAB Cc1csc(NC(=O)c2oc3ccccc3c2C)n1 5678283 XWTCXKKCZQASHJ-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB CCCSc1nc2ccc(Br)cc2[nH]1 5728031 FWRLXSPFSAUANL-UHFFFAOYSA-N 271.183 3.828 0 40 CHAB O=C(Nc1nccc(-c2cccs2)n1)c1cccs1 5769873 AZPDTMBAEFJXAF-UHFFFAOYSA-N 287.369 3.519 0 40 CHAB O=C(NCCc1ccc(F)cc1)Nc1ccc(Cl)cc1 6863243 ZMQUKDRKOGVTPK-UHFFFAOYSA-N 292.741 3.843 0 40 CHAB CC(=C\c1ccccc1)/C=C1/N=C(c2ccccc2)OC1=O 8665062 UVKZWZBCYDRXJB-SWZGKVDCSA-N 289.334 3.977 0 40 CHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccn1 9218684 DNAKZQSVMJPFSO-JTQLQIEISA-N 275.739 3.618 0 40 CHAB Cc1ccc2c(c1)cc(C(=O)NC1CCCCC1)n2C 10060172 RTPUEWHXPGRBAB-UHFFFAOYSA-N 270.376 3.549 0 40 CHAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1F 12809373 NNXOELVSDKWZIA-JQWIXIFHSA-N 289.272 3.677 0 40 CHAB CCc1nc2ccccc2c(C(=O)NCCC(C)C)c1C 12880283 MOMBAMHMMJTFQW-UHFFFAOYSA-N 284.403 3.882 0 40 CHAB O=C(Nc1nccs1)c1csc(-c2ccsc2)n1 14240284 OVPKSKMRKBAAFR-UHFFFAOYSA-N 293.398 3.580 0 40 CHAB COc1ccc2c(c1)CCC[C@H]2NCc1ccccc1 19899659 ZRWMHLVIVRKHBX-GOSISDBHSA-N 267.372 3.862 0 40 CHAB CCN(CC)C(=O)c1cccc(NC2CCCCC2)c1 20120909 FTVVGLXVEWIQKM-UHFFFAOYSA-N 274.408 3.913 0 40 CHAB O=C(O)c1ccc(COc2ccccc2C(F)(F)F)o1 22220010 HRSXMFCSXCKKGP-UHFFFAOYSA-N 286.205 3.576 0 40 CHAB CCOc1ccc(OCc2nc3ccccc3[nH]2)cc1 31943779 OTNZWJQWCWSEIU-UHFFFAOYSA-N 268.316 3.541 0 40 CHAB C[C@H](NC(=O)N[C@@H]1CCc2ccccc21)c1cccs1 32801872 PIXORSYGRILXOX-SMDDNHRTSA-N 286.400 3.796 0 40 CHAB O=C(O)c1sc2ccsc2c1C(F)(F)F 36379748 LHUIOKSVKKVJAG-UHFFFAOYSA-N 252.238 3.680 0 40 CHAB in-vitro O=C(NCc1ncc(-c2ccccc2)o1)C1CCCCC1 36394599 PTFILQGNVLRGIS-UHFFFAOYSA-N 284.359 3.538 0 40 CHAB Cc1cc(Cl)ccc1OCC(=O)N(C)c1ccccc1 36644279 HVFXZZJWYMVULI-UHFFFAOYSA-N 289.762 3.690 0 40 CHAB CCOc1ccccc1C(=O)c1ccc(F)c(F)c1 36941601 IDXITWPJKLZDBG-UHFFFAOYSA-N 262.255 3.595 0 40 CHAB Clc1ccc(Cl)c(OCC[C@@H]2CCCNC2)c1 42772345 ICLODPRFMAXAJD-JTQLQIEISA-N 274.191 3.762 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccc(N)c1 44135417 URRTXXSKMLRQHG-AWEZNQCLSA-N 276.380 3.731 0 40 CHAB COC(=O)c1ccc(-c2ccc(Cl)cc2C)o1 45954238 WKMDHINQCHNREH-UHFFFAOYSA-N 250.681 3.695 0 40 CHAB Cc1ccc(CN(Cc2nnsc2Cl)C(C)C)o1 47630745 JWPWBYVKYZSYEO-UHFFFAOYSA-N 285.800 3.504 0 40 CHAB Cc1noc(C)c1CN(C)[C@@H](C)c1cccs1 53428338 QLGBLURDEAXMSV-JTQLQIEISA-N 250.367 3.546 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)c1ccc(F)c(F)c1F 61838042 BUYOTKKAVWOICL-UHFFFAOYSA-N 290.162 3.752 0 40 CHAB CCc1ccc2nc(-c3ccc(N)cc3O)sc2c1 62719978 QPFZLDWZHINZDJ-UHFFFAOYSA-N 270.357 3.814 0 40 CHAB CCCC[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)noc1C 65491060 RISUWKLVJRKHNV-GDBMZVCRSA-N 292.423 3.699 0 40 CHAB CCN1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 72213854 YNSLOTZERRBIHA-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB CCN(C(=O)c1cnc2ccccc2n1)c1cccc(C)c1 72274676 ANVLMSJLFBXKOW-UHFFFAOYSA-N 291.354 3.605 0 40 CHAB CCOC(=O)CC(=O)c1ccc(-c2ccccc2)c(C)c1 95728858 UVBPFXNRMVSGPA-UHFFFAOYSA-N 282.339 3.798 0 40 CHAB CCCNC(=O)c1ccc(Oc2ccccc2Cl)o1 96183848 VDXSAINQTVXFPD-UHFFFAOYSA-N 279.723 3.865 0 40 CHAB CC/C=C(\C)C(=O)N[C@@H](c1ncccc1C)C(C)C 96406296 ZRHLWHNYHJIVHC-MAUPQMMJSA-N 260.381 3.560 0 40 CHAB CCCn1cc(N[C@@H](C)c2nc3ccccc3o2)cn1 97140082 MVCAVEGEUURBAI-NSHDSACASA-N 270.336 3.607 0 40 CHAB Cc1ccc(-n2nc(-c3ccccc3C)cc2O)cc1 100070175 NHEGDBCEDFSEGR-UHFFFAOYSA-N 264.328 3.862 0 40 CHAB Cc1nc2cc(C(=O)NC3CCCCCCC3)ccc2n1C 225894543 OWWQXSJZTLHWCQ-UHFFFAOYSA-N 299.418 3.724 0 40 CHAB Cc1cc(C)c(NC(=O)c2cc(N)ccc2N(C)C)c(C)c1 226324047 VGGKVNKYYWRNMW-UHFFFAOYSA-N 297.402 3.512 0 40 CHAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 245253811 GIXJWQWFZRJSRT-MXNDPFEXSA-N 281.446 3.625 0 40 CHAB CCOC(=O)CCc1c[nH]c2c(Cl)ccc(Cl)c12 259526994 TUZLPQVZZFEHFE-UHFFFAOYSA-N 286.158 3.970 0 40 CHAB Cc1cccc(C)c1OCC(=O)N[C@H](C)c1ccccc1 361895 BAWRUUABAPVIIA-OAHLLOKOSA-N 283.371 3.560 0 40 CHAB Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 19281179 OXTAWUMXNUGWMT-UHFFFAOYSA-N 280.249 3.540 0 40 CHAB Cc1cc2n(n1)[C@@H](c1ccc(O)cc1)Nc1c(C)cccc1-2 818124 GUCKQDKWTIDTFG-SFHVURJKSA-N 291.354 3.845 0 40 CHAB CCCCCCO[C@@H](CN(C)C)C(Cl)(Cl)Cl 1727668 NDFVUXIYNXJRED-JTQLQIEISA-N 290.662 3.884 0 40 CHAB CC(C)(C)c1ccc(C(=O)c2ccccc2C(=O)O)cc1 1847699 KFTGETZSJFJXEO-UHFFFAOYSA-N 282.339 3.913 0 40 CHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@@H]12 2040041 ULAADVBNYHGIBP-HVMFNXBNSA-N 286.415 3.912 0 40 CHAB O=C(Nc1c(Cl)cccc1Cl)c1ccncc1 1512152 QAVSNPROYYFVPE-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB O=C(O)Cc1sc(-c2ccco2)nc1-c1cccs1 58306430 LPIKNNHUNBGNEZ-UHFFFAOYSA-N 291.353 3.759 0 40 CHAB Cc1nc2cc(NC(=O)c3cc(F)cc(F)c3)ccc2o1 12755825 FEHBSXJGZZKTKG-UHFFFAOYSA-N 288.253 3.667 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)NC1CCCCCCC1 59267367 BVLJWYFFOFXTHC-HNNXBMFYSA-N 289.419 3.991 0 40 CHAB Clc1cccc(N/N=C2/C=Nc3ccccc32)c1 107821036 CHIPCDUYLUEPKX-JXAWBTAJSA-N 255.708 3.872 0 40 CHAB CC(C)c1nc(CCNc2cccc(C(F)(F)F)c2)n[nH]1 62719306 HZFJBSMAFDHJIW-UHFFFAOYSA-N 298.312 3.602 0 40 CHAB Cc1noc(C)c1COC(=O)/C=C/c1ccccc1Cl 2653272 UYZOSHPKCZFQBG-BQYQJAHWSA-N 291.734 3.701 0 40 CHAB COc1cc2ccccc2cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 12896284 AGNLTKVNPVCFAR-ZIAGYGMSSA-N 297.398 3.967 0 40 CHAB CCCCC(=O)Nc1nonc1-c1ccc(C(C)C)cc1 13722627 XEAPWCYEQGKFSL-UHFFFAOYSA-N 287.363 3.989 0 40 CHAB CCCCCCNC(=S)Nc1ccc(F)cc1 4575485 GHXKMFWTBOVYNH-UHFFFAOYSA-N 254.374 3.692 0 40 CHAB CC(=O)Nc1cccc(Oc2c(N)cccc2Cl)c1 14629261 NFQOLFTYLIUVIF-UHFFFAOYSA-N 276.723 3.673 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)n2)cc1 5935678 CPWPGZMXDPOGSL-CMDGGOBGSA-N 266.344 3.659 0 40 CHAB O=C(c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 15544736 MYOAWOGUXNGYKG-MRXNPFEDSA-N 291.354 3.540 0 40 CHAB Cc1cccc(C(=O)NC[C@H](C)c2ccccc2)c1C 15744953 DJMXFJRNBWDDFP-AWEZNQCLSA-N 267.372 3.837 0 40 CHAB Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)no1 7669560 DIXCQNAJCMNDQU-UHFFFAOYSA-N 258.321 3.533 0 40 CHAB O=C(Cc1csc(-c2ccccc2)n1)Oc1ccccc1 7657404 XGSIJOCNCFLWTO-UHFFFAOYSA-N 295.363 3.958 0 40 CHAB COc1ccc(CN(C)[C@H](C)c2cc(F)ccc2F)nc1 95462701 RKAATZIHUULPCQ-LLVKDONJSA-N 292.329 3.561 0 40 CHAB O=C(O)CC1(c2ccc(C(F)(F)F)cc2)CCC1 98213977 VRBGTLVJSDHVAB-UHFFFAOYSA-N 258.239 3.602 0 40 CHAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1C[C@H]1C1CC1 89807773 YQLYYWPQTOHMDG-HOTGVXAUSA-N 277.367 3.923 0 40 CHAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2O 118935555 MGZZPWXYQSLHGQ-XCBYOTJYSA-N 292.463 3.751 0 40 CHAB CCc1ccccc1NC(=O)c1cncn1-c1ccccc1 20676800 BKADYFQEYNFMMG-UHFFFAOYSA-N 291.354 3.687 0 40 CHAB O=C(c1ccc2c(c1)OCO2)c1c[nH]c2cc(Cl)ccc12 37367961 WAMYLFRDRWDGGD-UHFFFAOYSA-N 299.713 3.781 0 40 CHAB CCN(C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72212706 DSSJXQPTAVBGID-GOSISDBHSA-N 295.430 3.875 0 40 CHAB Cc1ncc(NC(=O)CCc2ccccc2)c(C)c1Cl 72265135 WCXSWURSQMVBDO-UHFFFAOYSA-N 288.778 3.923 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)c1occc1C 32784586 YOIBUUHSIDLJEZ-UHFFFAOYSA-N 279.723 3.811 0 40 CHAB C/C=C/C(=O)Nc1ccc(Br)c(Cl)c1 228897168 ODISSGOSEKLQMV-NSCUHMNNSA-N 274.545 3.617 0 40 CHAB CC[C@H](C)NC(=O)Nc1cccnc1Oc1ccccc1 48342516 QCOWIJZHXVHYDE-LBPRGKRZSA-N 285.347 3.794 0 40 CHAB Nc1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1 226104340 BATVIBRNIVBCIW-UHFFFAOYSA-N 299.761 3.891 0 40 CHAB Nc1cccc(CC(=O)Sc2ccc(Cl)cc2)c1 225397374 MAGFJPPOVUKPLQ-UHFFFAOYSA-N 277.776 3.784 0 40 CHAB COc1ccc(-c2cc(C(F)(F)F)cnc2OC)cc1 96194021 BLDPDTAQMJAVQO-UHFFFAOYSA-N 283.249 3.785 0 40 CHAB CCOc1ccc(CNc2cn(C(F)F)nc2C)cc1 256051137 HWJMSFYCVCVYRO-UHFFFAOYSA-N 281.306 3.597 0 40 CHAB O=C(/C=C/c1ccc(Cl)s1)NCC1CCCC1 33054813 GSYDZFSAYHSIJZ-SOFGYWHQSA-N 269.797 3.721 0 40 CHAB CCc1nnc2n1-c1nc3c(C)c(C)ccc3cc1CS2 40156522 SXEDQKBFPOLLMO-UHFFFAOYSA-N 296.399 3.600 0 40 CHAB O=C1O[C@@](c2ccccc2)(c2ccccn2)c2ccccc21 5121197 AELYKZWWNYMJIF-LJQANCHMSA-N 287.318 3.544 0 40 CHAB COc1ccc(N[C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 5499016 KFKLIBAWHRUNOV-CPUCHLNUSA-N 273.376 3.501 0 40 CHAB c1ccc2c(c1)CO[C@@H](c1ccnc3ccccc13)N2 14000559 PULAZGOMJZYJQP-KRWDZBQOSA-N 262.312 3.876 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(Cl)c(C)c1 166423904 ZGMZVFFJTYQBMP-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB CCc1ccc(NC(=O)CNc2cc(C)ccc2OC)cc1 1935194 HQTLFAFZEWSOLF-UHFFFAOYSA-N 298.386 3.617 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)C1(c2ccccc2)CC1 5937151 JXIJUWOIOHJYSJ-SFHVURJKSA-N 291.394 3.912 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccco1 15497010 IXNNTRXTHCFUMW-SECBINFHSA-N 264.712 3.816 0 40 CHAB O=C(COc1ccc(Cl)cc1Cl)c1ccc[nH]1 3374109 SXDMTLDFXRWOAI-UHFFFAOYSA-N 270.115 3.583 0 40 CHAB CCCCCCNC(=S)N(C)Cc1ccccc1 6264045 FQXFTFZQZNAFIZ-UHFFFAOYSA-N 264.438 3.573 0 40 CHAB Cc1ccc(C(=N)NCCc2c(C)[nH]c3ccccc23)cc1 4376091 ATHAKHLTYNYQIT-UHFFFAOYSA-N 291.398 3.942 0 40 CHAB COc1ccc(C)cc1[C@@H](C)NCc1nc2ccccc2o1 32797280 KSNCBTNNYNFLCY-CYBMUJFWSA-N 296.370 3.996 0 40 CHAB CCc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 102589665 WWLPNFYHGAJCAR-ZJQBRPOHSA-N 277.433 3.865 0 40 CHAB CCc1cc(C(=O)O)c(NC(=O)c2ccccc2C)s1 528765 NMQDCEOFECGROZ-UHFFFAOYSA-N 289.356 3.569 0 40 CHAB O=C(Cc1cccc2ccccc12)NC(C1CC1)C1CC1 22885822 YBPVZVMPGBKEEG-UHFFFAOYSA-N 279.383 3.687 0 40 CHAB S=C(NC1CCCCCCC1)N[C@H]1C[C@H]2CC[C@H]1C2 104272671 SKPOQCYVAWJNDY-YDHLFZDLSA-N 280.481 3.752 0 40 CHAB O=C(c1cccc(Cl)c1)N1CCc2ccccc2C1 29713 RCKPFAVZERBDPA-UHFFFAOYSA-N 271.747 3.539 0 40 CHAB CCc1ccc2[nH]c3nc(SC(C)C)nnc3c2c1 86178 KBUXVJUEJCQQER-UHFFFAOYSA-N 272.377 3.569 0 40 CHAB Cc1c(C)n(C)c2ccc(C(=O)NCc3cccs3)cc12 205137 BVBVUNVZWFGPOP-UHFFFAOYSA-N 298.411 3.787 0 40 CHAB aggregator COc1cccc(C(=O)Oc2cc(C)ccc2C)c1OC 363140 QHXZUWWCVFEVMM-UHFFFAOYSA-N 286.327 3.540 0 40 CHAB Cc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 364982 PLYAJGPOKOBMCN-KRWDZBQOSA-N 265.356 3.802 0 40 CHAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccc(F)cc3)cc2c1 421248 OXVRDVOWEZPEJE-UHFFFAOYSA-N 296.345 3.896 0 40 CHAB Fc1ccc(C2=CCN(c3ccc(Cl)nn3)CC2)cc1 1325971 OSEXLGZWZFYVKI-UHFFFAOYSA-N 289.741 3.563 0 40 CHAB Cc1ccccc1CN1C(=O)CCCc2ccccc21 1386977 SHGKHMZBGANSCQ-UHFFFAOYSA-N 265.356 3.865 0 40 CHAB CCCCC/C=C/C(CC)(C(=O)OCC)C(=O)OCC 1600407 HRHBZYAPUYNKKB-OUKQBFOZSA-N 284.396 3.646 0 40 CHAB O=C(CSc1cnc2ccccc2n1)c1ccc(F)cc1 3242439 JMJWWFKUIXGPLN-UHFFFAOYSA-N 298.342 3.744 0 40 CHAB Fc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@@H](c1ccco1)N2 4204906 BGXDUIOHIMCBER-ONERCXAPSA-N 259.280 3.663 0 40 CHAB O[C@@H](c1cccc(F)c1)c1ccc(F)c(Cl)c1 4242367 FMZBMPXYPIHNSQ-ZDUSSCGKSA-N 254.663 3.700 0 40 CHAB O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@H]2CCCC[C@@H]21 4973163 XPEXSNWCIABHIG-UWJYBYFXSA-N 273.159 3.978 0 40 CHAB CCCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 5552446 IMUPBUJJFJDJEG-XFXZXTDPSA-N 279.336 3.662 0 40 CHAB c1ccc(CSc2nncc3ccccc23)cc1 5683370 DJRPXYJRPYNZJC-UHFFFAOYSA-N 252.342 3.922 0 40 CHAB O=C1N[C@H](c2cccc(C(F)(F)F)c2)Nc2ccccc21 5689805 XWBIBLUMCMPAGG-CYBMUJFWSA-N 292.260 3.560 0 40 CHAB Cc1ccnc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 6276368 PBOCYZPJRJUFEV-UHFFFAOYSA-N 281.142 3.949 0 40 CHAB Cc1cc(C)n(-c2ncnc3c2c(C)c(C)n3CC(C)C)n1 6719537 RUJXLXSDLAVJBF-UHFFFAOYSA-N 297.406 3.507 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C 6865885 XYZFMJKELLHQDZ-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB CCc1ccc(NC(=O)CCc2ccc(F)cc2)cc1 7134047 WKYIMCNVQPQXBY-UHFFFAOYSA-N 271.335 3.959 0 40 CHAB Cc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)CCC2 8241095 ZLUDOVGPJALNQZ-UHFFFAOYSA-N 284.359 3.847 0 40 CHAB CCOP(=O)(/C=C\NC1CCCCC1)OCC 16998166 GCOCYGLSBKOTBU-KHPPLWFESA-N 261.302 3.646 0 40 CHAB CC(C)n1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 17023619 RODOWUVBULQFAY-MRVPVSSYSA-N 294.445 3.826 0 40 CHAB COc1ccccc1-c1nc(Cl)nn1-c1ccccc1 22125664 ICPNILKFSUCIGW-UHFFFAOYSA-N 285.734 3.596 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](C)C1 22510300 NUPCVCUTSLXBFG-OCCSQVGLSA-N 295.810 3.756 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1c1ccncc1 27276618 HBUFPDAUAOIINH-KRWDZBQOSA-N 291.354 3.540 0 40 CHAB CC(C)CC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 40071845 IBDDAWQOYSRFFI-SNVBAGLBSA-N 273.298 3.929 0 40 CHAB O=C(C1CCCCC1)N1CCC[C@@H]1c1ccsc1 40107718 IFBNGNQKHPWTGA-CQSZACIVSA-N 263.406 3.992 0 40 CHAB Cc1cc(Br)cnc1NCc1ccccc1 42784033 GCJHEPZIQQEJPF-UHFFFAOYSA-N 277.165 3.765 0 40 CHAB in-vitro O=C(O)c1cnc(Cc2c(Cl)cccc2Cl)s1 44266108 UGOMIYAMZROFKH-UHFFFAOYSA-N 288.155 3.739 0 40 CHAB COc1ccc(NC(=O)Nc2cccc(F)c2C)cc1F 51354572 MHWCBANLZWIKBM-UHFFFAOYSA-N 292.285 3.926 0 40 CHAB FC(F)(F)CNc1nnc(SC2CCCCC2)s1 64369321 IKZWTIDELSOMLV-UHFFFAOYSA-N 297.371 3.937 0 40 CHAB CCN(CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1 66191609 BRXGVOZZIXUAFS-UHFFFAOYSA-N 282.387 3.768 0 40 CHAB CCOc1ncccc1-c1ccc2ncsc2c1 67489749 ACECGNAQPNZKEB-UHFFFAOYSA-N 256.330 3.757 0 40 CHAB Cc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 69873973 DXORNEOQPBBWCL-JKSUJKDBSA-N 269.388 3.667 0 40 CHAB Cc1ccc(N[C@H](C)c2cc(F)ccc2F)cc1C(N)=O 71902688 BRBTYVPVJQHBLJ-SNVBAGLBSA-N 290.313 3.545 0 40 CHAB CC(C)CN1CCC[C@@H]1c1ccc(NC2CCC2)nc1 72213841 LZIXCZIKSQVMAM-MRXNPFEDSA-N 273.424 3.839 0 40 CHAB c1cnc2[nH]c(C3CCCC3)c(CN3CCCC3)c2c1 72393342 PGAIVOKNTQOBNA-UHFFFAOYSA-N 269.392 3.816 0 40 CHAB COc1cc(NC(=O)OC(C)(C)C)cc2[nH]ccc12 89204514 NGDCKHOVEWTNJK-UHFFFAOYSA-N 262.309 3.524 0 40 CHAB in-vitro Fc1cc(Br)cc(F)c1OC(F)(F)Cl 95215577 BJMYFFDBPCPJSY-UHFFFAOYSA-N 293.441 3.895 0 40 CHAB c1cc2c(s1)CCC[C@@H]2NCc1cn2ccsc2n1 95421031 INHINQYZJPGIOD-LBPRGKRZSA-N 289.429 3.625 0 40 CHAB CN(C)c1ccc(C(=O)c2ccccc2Cl)cc1 95916750 PQGGPGJOVIKINQ-UHFFFAOYSA-N 259.736 3.637 0 40 CHAB O=C(c1cccc(F)c1)c1c(F)cccc1Cl 95917048 ONZKRNYWLPWPOF-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CC(=O)Nc1cc(NCc2ccc(C)cn2)ccc1Cl 96485889 TXHXQRGGVXRYAH-UHFFFAOYSA-N 289.766 3.614 0 40 CHAB C[C@@H]1CC[C@@H]1COc1ccc(Br)cc1 96526382 QIKCTGBVJVCOQP-NXEZZACHSA-N 255.155 3.874 0 40 CHAB Fc1ccc(OCC2CC2)c(NCc2cncs2)c1 191745922 GGRIBDSFSPSCCO-UHFFFAOYSA-N 278.352 3.683 0 40 CHAB COc1ccc(Cl)c2sc(-n3nc(C)cc3C)nc12 216764592 KVTIEGYAALMVHP-UHFFFAOYSA-N 293.779 3.761 0 40 CHAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccccc1 224662110 QUGPBRIPEYYGJJ-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB CC[C@H](C)NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254252 KUSMIYMNDBYMBV-LBPRGKRZSA-N 293.370 3.758 0 40 CHAB Cc1cc(C)c(NC(=O)c2cnc(C3CC3)nc2C)c(C)c1 225792129 QFYXWVITMNFPHS-UHFFFAOYSA-N 295.386 3.840 0 40 CHAB COc1ccc(NC(=O)Cc2ccc(C)cc2C)c(OC)c1 225870517 PHFSTJUJXRWJMZ-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Fc1ccccc1CN1CCC[C@@H]1c1cccc2nccn12 257319029 VQJVMXJZACXGAF-MRXNPFEDSA-N 295.361 3.811 0 40 CHAB O=C(c1cccc(F)c1Cl)C(F)(F)C(F)(F)F 575243021 TULATMMRFAXBAY-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB CC(C)(CNC(=O)c1cccs1)c1ccsc1 1565519618 ZWAAARYADMBXBF-UHFFFAOYSA-N 265.403 3.517 0 40 CHAB O=C(O)c1cccc(Nc2ccc(-c3cccnn3)cc2)c1 1857795011 GUKRFAKAHBETAI-UHFFFAOYSA-N 291.310 3.585 0 40 CHAB C[C@]12CCCCN1CCCc1c2[nH]c2ccccc12 331082 SSVYQKVUSXFNFY-QGZVFWFLSA-N 254.377 3.815 0 40 CHAB biogenic CCC(CC)C(=O)Nc1nc2ccc(C)cc2s1 484004 FMJIZBXEHAIVRT-UHFFFAOYSA-N 262.378 3.979 0 40 CHAB Cc1cc2nc(-c3cccnc3Cl)n(C)c2cc1C 1400786 QLCLPPBTPPBHMA-UHFFFAOYSA-N 271.751 3.906 0 40 CHAB Clc1ccc(-n2ncc3c(Cl)nc(Cl)nc32)cc1 1576808 AGNZJGPYNFNEJW-UHFFFAOYSA-N 299.548 3.776 0 40 CHAB COc1cc(C(F)(F)F)nc2ccc(C)c(F)c12 2243347 UAMQAVATIOIALM-UHFFFAOYSA-N 259.202 3.710 0 40 CHAB Cc1cc(C)n(CCc2nc(-c3cccs3)cs2)n1 3253394 RAONHHVSFVIECY-UHFFFAOYSA-N 289.429 3.928 0 40 CHAB CC(C)(C)C(=O)CSc1cccc2cccnc12 3257482 COAIYWVMTRKAEN-UHFFFAOYSA-N 259.374 3.942 0 40 CHAB CC(C)c1nn2c(Cc3ccc(Cl)cc3)nnc2s1 4667831 FNZKCRPZCVIAEX-UHFFFAOYSA-N 292.795 3.553 0 40 CHAB C[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 5559238 HQWDKIQCVUQCOK-GFCCVEGCSA-N 273.763 3.760 0 40 CHAB C[C@H](NC(=O)C1CCCC1)C12CC3CC(CC(C3)C1)C2 5676657 FHSPHYIPEBDIHC-IHWZXDPASA-N 275.436 3.898 0 40 CHAB Cc1csc(NC(=O)Cc2cccc3ccccc23)n1 5678511 UIFYICQVSMUITK-UHFFFAOYSA-N 282.368 3.786 0 40 CHAB CC(C)c1n[nH]c(SCc2ccccc2Cl)n1 6782185 LZBDKMFGBLOHPQ-UHFFFAOYSA-N 267.785 3.874 0 40 CHAB CC[C@@H](NC(=O)c1ccccc1)c1ccc(OC)cc1 7037299 ZXCRGVRMTFSQBE-MRXNPFEDSA-N 269.344 3.576 0 40 CHAB C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccco1 7741285 FLRGCFPONVSBRE-ZDUSSCGKSA-N 279.339 3.853 0 40 CHAB Cc1cc(S[C@@H]2C[C@H](C)OC2=O)nc2c(C)cccc12 8945621 CACQTYWHCRMUNI-WCQYABFASA-N 287.384 3.648 0 40 CHAB Cc1cc(C)c(NC(=O)[C@H]2COc3ccccc3C2)c(C)c1 9154585 XOJGKBYDDBXFJC-MRXNPFEDSA-N 295.382 3.802 0 40 CHAB CC(C)[C@@H](C)NC(=O)Cc1csc(-c2cccs2)n1 9218425 LKFBHJUBFFTGAL-SNVBAGLBSA-N 294.445 3.575 0 40 CHAB COc1cc(CC(=O)Nc2ccc(F)cc2C)ccc1C 10444837 CDJIKLJXCIQSBS-UHFFFAOYSA-N 287.334 3.632 0 40 CHAB Clc1ccc2nc(NCc3ccccn3)sc2c1 11919968 NDOLDUHURKFDGQ-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB C=Cn1ccc2c1C[C@H]1CC[C@@H]2N1Cc1ccccc1 13568933 FAIWHDAYVNRBGS-WBVHZDCISA-N 264.372 3.850 0 40 CHAB CCOc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 16211980 DXWTYNKMKSHAOL-ZOWXZIJZSA-N 290.432 3.560 0 40 CHAB O=C(NC1CCCCCCC1)c1cc(F)cc(F)c1 16383407 WNHJBCHQMYHDPK-UHFFFAOYSA-N 267.319 3.808 0 40 CHAB COc1ccc(-c2cc(O)n(-c3ccccc3C)n2)cc1 18192627 YHKTUBYTDHLVDY-UHFFFAOYSA-N 280.327 3.562 0 40 CHAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1 20137376 MWYOXHWLJKBNIE-UHFFFAOYSA-N 293.322 3.691 0 40 CHAB Clc1ccc(-n2nc(Cl)nc2-c2ccncc2)cc1 22125766 MZXUNGHHZICNPJ-UHFFFAOYSA-N 291.141 3.636 0 40 CHAB CC(=O)c1ccc(N2C(=O)OC[C@@H]2c2ccccc2)cc1 26896794 HYUZIBWZXSWHLA-MRXNPFEDSA-N 281.311 3.587 0 40 CHAB FC(F)(F)c1ccccc1[C@@H]1CC(Br)=NO1 30678678 DDFCJTGGZWNOMD-QMMMGPOBSA-N 294.070 3.875 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)N1CCCCCC1 30862228 CCDMLENNHZCKTB-HNNXBMFYSA-N 275.392 3.555 0 40 CHAB Cc1cc(C(=O)Nc2nnc(C3CCCCC3)o2)c(C)o1 36652075 YMUGYONHZFTNBJ-UHFFFAOYSA-N 289.335 3.579 0 40 CHAB Nc1ccc(N2CCc3ccccc32)c(C(F)(F)F)c1 37754372 CBXYNZKXILJWRT-UHFFFAOYSA-N 278.277 3.982 0 40 CHAB CC(C)C[C@@H](NCC[C@H]1CCCO1)c1ccccc1 38095571 DONACSAWZIPZOL-IAGOWNOFSA-N 261.409 3.933 0 40 CHAB COc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl 40098724 JHRBUFWFXJHOOA-QWRGUYRKSA-N 296.798 3.858 0 40 CHAB CN(Cc1ccccc1Cl)C(=O)CCc1cccs1 40161959 YLIRAOBHZNPZLM-UHFFFAOYSA-N 293.819 3.993 0 40 CHAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(F)c1 41039537 AMPKLIACPHOENE-STQMWFEESA-N 278.371 3.555 0 40 CHAB CC[C@@H](C)c1ccc(O[C@@H]2CCNC2)c(Br)c1 42774604 RLHMZIYAIYDVCU-ZYHUDNBSSA-N 298.224 3.703 0 40 CHAB C[C@H](Cc1ccco1)NC(=O)CCSc1ccccc1 44443900 WPFFAYJBQJBHKK-CYBMUJFWSA-N 289.400 3.509 0 40 CHAB Cc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)nc1 45028533 DSCPAULRKQWUPX-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB COc1ccc(-c2nc(-c3cnccn3)sc2C)cc1 48640752 UCMDZKBBRHTBRZ-UHFFFAOYSA-N 283.356 3.584 0 40 CHAB O=C(Nc1cccc(CNCc2ccco2)c1)C1CCCC1 48781320 AJIQRGJHVGKGST-UHFFFAOYSA-N 298.386 3.698 0 40 CHAB Cc1ccsc1CN(C)Cc1ccnc(Cl)c1 58166177 UIQKDDSFEDMAFA-UHFFFAOYSA-N 266.797 3.737 0 40 CHAB CCC[C@@H](C)N(C)C(=O)Nc1cc(C)ccc1F 58355977 KLZWBKFJQOMQDB-LLVKDONJSA-N 252.333 3.786 0 40 CHAB O=C(CC(F)(F)F)N1CCC[C@H](c2ccccc2)CC1 66762082 FPQSTPNHHRFOTH-ZDUSSCGKSA-N 285.309 3.735 0 40 CHAB CC[C@](CCN1CCCCC1)(OC)c1ccccc1 67340239 KCGUBTPOOFSLPO-QGZVFWFLSA-N 261.409 3.814 0 40 CHAB Sc1ncccc1[C@@H]1CCCN1Cc1ccccc1 72217051 LUWLKJZPTKEDJC-HNNXBMFYSA-N 270.401 3.707 0 40 CHAB COCc1ccccc1NC(=O)Nc1ccc(C)cc1F 72282500 OLMFSDJYULZRTG-UHFFFAOYSA-N 288.322 3.925 0 40 CHAB CN(C)c1ccc(C(F)(F)F)cc1NCc1ccoc1 83854366 MGMMIWORTAUJNP-UHFFFAOYSA-N 284.281 3.977 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)nc1 89331254 XTKWGUHVZOUSIP-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB CCOc1c(Br)cc(C)cc1Br 90413085 PUOOEKRIBDTERK-UHFFFAOYSA-N 293.986 3.919 0 40 CHAB in-vitro CC1(C)CCC(Cn2ccc3occc3c2=O)CC1 95464720 QLJCZZBGMLBBBC-UHFFFAOYSA-N 259.349 3.811 0 40 CHAB Cn1cccc1[C@H](O)c1ccc(Oc2ccccc2)cc1 95727888 SPSGHKCEUPRSRZ-GOSISDBHSA-N 279.339 3.899 0 40 CHAB C[C@H](O)c1ccccc1NC(=O)c1cc2cc(F)ccc2o1 97046301 NXTYHVWMQGMHHF-JTQLQIEISA-N 299.301 3.878 0 40 CHAB CC(C)c1ocnc1C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 98013336 OPOSAVOLQDAOBA-UPJWGTAASA-N 276.380 3.591 0 40 CHAB CCN(C)c1ccccc1NC(=O)N1C[C@H]2CC=CC[C@H]2C1 98014261 DVDDQWASMGSTHG-GASCZTMLSA-N 299.418 3.573 0 40 CHAB Brc1c2ccccc2nn1Cc1ccccc1 115384852 YTVLXDQTRVPTCN-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB Cc1cccc2cc(C(=O)NC3CCCCC3)oc12 148084895 PKZVQDGEAFWESU-UHFFFAOYSA-N 257.333 3.804 0 40 CHAB O=C(Nc1cc(Cl)c(Cl)cc1F)c1ccncc1 225597357 XUZXOQQBJFDVJI-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB CCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OC)c(C)c1 225694346 KDUZETTVVKBMAT-QGZVFWFLSA-N 293.407 3.846 0 40 CHAB CCCOc1cccc(C(=O)Nc2cccc([C@@H](C)O)c2)c1 226274365 ZFGUEDXCBHTYPX-CYBMUJFWSA-N 299.370 3.781 0 40 CHAB CCc1cc(N)cc(Cl)c1N1C[C@H](C)C[C@@H](C)C1 226315472 TWTYWZOHPUHQNL-GHMZBOCLSA-N 266.816 3.967 0 40 CHAB CC(C)OCc1nn(C2CCCC2)cc1Br 408715973 HIXAISJCFPVXOS-UHFFFAOYSA-N 287.201 3.686 0 40 CHAB Cc1ccc(-c2csc(-c3cnccn3)n2)c(C)c1 112740 SXBOMDCZLTYSAM-UHFFFAOYSA-N 267.357 3.884 0 40 CHAB CCc1nc2scc(-c3cccs3)c2c(=O)o1 186156 RYECSJPTPDCARF-UHFFFAOYSA-N 263.343 3.540 0 40 CHAB O=C(Oc1cccc(O)c1)c1cccc2ccccc12 363568 SQSPRLVJPRPYCM-UHFFFAOYSA-N 264.280 3.765 0 40 CHAB Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2)c1 574437 OOACZPRGBSIWTQ-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CCCCN(CCCC)C(=O)C[C@](C)(O)c1ccccc1 1555466 GAJMIGAFBWGHBS-SFHVURJKSA-N 291.435 3.713 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc2ccccc2n1 2639550 FAQNXCSDATTYLT-UHFFFAOYSA-N 288.350 3.976 0 40 CHAB CC(C)[C@@H](C)NC(=O)COc1ccc(-c2ccccc2)cc1 2643095 HUCFUQAPVRPRBK-OAHLLOKOSA-N 297.398 3.893 0 40 CHAB Cc1ccc(C)c(NC(=O)COc2cccc(Cl)c2)c1 3516067 MNBRAIZQHHKDIN-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)CCC2 3517528 RYGNJSQAUZTLCO-IZZDOVSWSA-N 281.330 3.966 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)[C@@H](COC(=O)c2ccccc2)C1=O 3845725 VFYMSGHHSKKLOQ-FVQBIDKESA-N 288.387 3.731 0 40 CHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 3983932 ULAADVBNYHGIBP-BCYZHJNNSA-N 286.415 3.912 0 40 CHAB in-vitro CC1(C)C[C@@H](O)C[C@]2(C1)C[C@]1(C)C[C@H](O)[C@H]2C(C)(C)C1 4127736 OYKKAFUDCTVRPS-ZCHQSPEWSA-N 280.452 3.751 0 40 CHAB Cc1sc2c(c1C)C(=O)N[C@@H](/C=C/c1ccccc1)N2 4501924 IAZQFCUQPLFKBN-MMQHEFTJSA-N 284.384 3.560 0 40 CHAB COc1ccc([C@H](CCc2ccccc2)OC(C)=O)cc1 5432014 DLXKJDVRPWUJLL-SFHVURJKSA-N 284.355 3.932 0 40 CHAB CCCc1[nH]nc(-c2n[nH]c(CCC)c2CC)c1CC 5479265 OQOSWZDZYIUEFJ-UHFFFAOYSA-N 274.412 3.830 0 40 CHAB CCc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 5579039 CKFNTZVWHNZHOD-UHFFFAOYSA-N 272.373 3.721 0 40 CHAB COc1cc(NC(=O)c2cc3ccccc3o2)cc(OC)c1 5681856 BLALYTMWJKUSCB-UHFFFAOYSA-N 297.310 3.702 0 40 CHAB Cc1nnc(SCc2cccc3ccccc23)o1 7605150 OVKIZFKFTDNZNW-UHFFFAOYSA-N 256.330 3.824 0 40 CHAB CCCCCNC(=O)c1ccc(CN2CCCCC2)cc1 10434252 RHFZRIIZHNRWFG-UHFFFAOYSA-N 288.435 3.593 0 40 CHAB Cc1cccc(NC(=O)c2cc3ccccc3c(=O)s2)c1 12274399 VQPQFBCLGQMZPM-UHFFFAOYSA-N 295.363 3.822 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(Cl)[nH]1 13007509 TYTBWMXQWCZFNE-CBAPKCEASA-N 275.179 3.630 0 40 CHAB COc1cccc(C(=O)c2cc3ccccc3o2)c1 14247635 NYQCXEMACPCBGG-UHFFFAOYSA-N 252.269 3.672 0 40 CHAB Nc1ccc2[nH]c(-c3cccc4ccccc34)nc2c1 19807310 VJJAFDXUGDCGKB-UHFFFAOYSA-N 259.312 3.965 0 40 CHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1 20110368 YKUWNOHLWGZMAD-GOSISDBHSA-N 297.398 3.777 0 40 CHAB Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)c(C)c1 21796307 VGVHRITTWUKZBP-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cn1 29027596 CJQMFLHQGMVVBA-UHFFFAOYSA-N 296.370 3.964 0 40 CHAB Cc1ccccc1NC(=O)Cc1cccc2cccnc12 32874035 XWOLCLKYANZECJ-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB CN(/C=C\c1ccccc1)C(=O)/C=C/c1ccccc1 35464254 VJGRWRRIAJQNFU-NQDQBVNISA-N 263.340 3.829 0 40 CHAB endogenous,in-man c1ccc([C@H](NCc2cccc3c2OCO3)C2CC2)cc1 36325160 URZHZOFVFYUBGW-KRWDZBQOSA-N 281.355 3.656 0 40 CHAB Cc1ccc(-c2n[nH]c(=S)n2Cc2ccco2)cc1 36724590 XYTCNMWNRCOYES-UHFFFAOYSA-N 271.345 3.557 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCCC[C@@H]1C 36834111 JAXUUNLWWUVEFZ-WFASDCNBSA-N 298.386 3.959 0 40 CHAB CC[C@H](NC(=O)c1ccc(OC)cc1)c1cccs1 39967439 YGBLUGSQAAYVRU-ZDUSSCGKSA-N 275.373 3.638 0 40 CHAB CCc1cc(Cl)ccc1OCC[C@@H]1CCCCN1 42770961 CPKDYJOFEGNVCU-AWEZNQCLSA-N 267.800 3.813 0 40 CHAB Cc1ccc(F)cc1NC(=O)NCc1sccc1C 43276547 WENOIQXJMKIYQW-UHFFFAOYSA-N 278.352 3.826 0 40 CHAB Cc1cc(CNC(=O)NCc2ccc(Cl)cc2)c(C)o1 70640540 SCUDZLMWUDVPGP-UHFFFAOYSA-N 292.766 3.549 0 40 CHAB C[C@H]1CCCN(C(=O)c2cc(-c3ccco3)cs2)C1 72259969 KCSXXIUZQJPPSR-NSHDSACASA-N 275.373 3.880 0 40 CHAB Cc1nc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)oc1C 76812084 MOXMIWMXQQWZPD-NHYWBVRUSA-N 288.366 3.809 0 40 CHAB CC(=O)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 85346753 PSVFQLUNSFLZOG-UHFFFAOYSA-N 298.125 3.530 0 40 CHAB Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NC(C)C)cc1 89632111 IUNBWEVDFHCTOC-ZBFHGGJFSA-N 274.408 3.886 0 40 CHAB Cc1c(Cl)cccc1C(=O)[C@@H]1CCCC[C@H]1C(=O)O 95634076 OVXRXWANKGKKSJ-VXGBXAGGSA-N 280.751 3.722 0 40 CHAB O=C(Cc1ccc(SC(F)(F)F)cc1)C(F)(F)F 95634669 OCGCOUVQVUZNHW-UHFFFAOYSA-N 288.212 3.972 0 40 CHAB c1ccc(C2=NNC(c3ccco3)=Nc3ccccc32)cc1 100250240 XVKZTPNOYZYYLH-UHFFFAOYSA-N 287.322 3.714 0 40 CHAB OC1[C@H]2CCC[C@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 100672330 USAKVYHRWZXKIZ-VJANTYMQSA-N 293.410 3.849 0 40 CHAB CCc1ccc(NC(=O)c2cccc(N3CC=CC3)c2)cc1 101226220 OKTGSPBPJBXLTB-UHFFFAOYSA-N 292.382 3.878 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102588624 IBWPVCBFEGOSML-HJWJTTGWSA-N 271.404 3.560 0 40 CHAB CC(C)(C)c1ccc(-n2ncc3c(N)cccc32)cc1 138014834 HTZWVRIXBQTGFT-UHFFFAOYSA-N 265.360 3.905 0 40 CHAB O=C(CCc1c(F)cccc1Cl)N1[C@H]2C=CC[C@H]1CC2 208019194 ZPDSITXZEQEKDG-RYUDHWBXSA-N 293.769 3.731 0 40 CHAB CNCCCNc1cc(C)nc2cc(Cl)cc(Cl)c12 222689663 ZHXHDCOVFRJGCM-UHFFFAOYSA-N 298.217 3.871 0 40 CHAB CC[C@@H](NC(=O)C(C)(C)C)c1ccc(OC)c(C)c1 225749330 NKNGTYFREYGYJB-CYBMUJFWSA-N 263.381 3.617 0 40 CHAB CCCc1ccc(C(=O)OC)n1Cc1ccc(Cl)cc1 226026273 ZODIPMFZZNVPFQ-UHFFFAOYSA-N 291.778 3.929 0 40 CHAB O=c1[nH]c2c(s1)C1(CCCC1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 245228966 KHMQOKBUWRJFJO-XWLWVQCSSA-N 293.457 3.769 0 40 CHAB COc1cccc(-c2csc(-c3cccnc3)n2)c1 3451 GXVKYXHKQYNGHM-UHFFFAOYSA-N 268.341 3.881 0 40 CHAB Nc1ccc2nc(-c3ccccc3Br)[nH]c2c1 189302 LAQGPMQJUXSNDG-UHFFFAOYSA-N 288.148 3.575 0 40 CHAB Cc1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1C 204930 SPKVDCZBIWCMTN-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB COc1ccc2cc(-c3csc(N)n3)ccc2c1 245615 MFFKQMIPBHGUKM-UHFFFAOYSA-N 256.330 3.554 0 40 CHAB CC1(C)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 1655457 SDDSWVKALZPTPR-OAHLLOKOSA-N 251.329 3.801 0 40 CHAB Cc1cc(CCNC=O)c(C)c2c1sc1ccccc12 1710629 ZNUPURXQBIDNGD-UHFFFAOYSA-N 283.396 3.960 0 40 CHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC(=O)O2 4655153 FWJIMKYKNBCAJA-OVWQWFNUSA-N 286.371 3.544 0 40 CHAB CC(=O)S[C@H]1CCC[C@@H](C[C@@H](C)SC(C)=O)C1 4934463 SCLSFVLZHYZIOT-ICCXJUOJSA-N 274.451 3.883 0 40 CHAB CC(C)[C@@H](NC(=O)Cc1cccs1)c1cccs1 24316714 WLIRAJFVVSAVAZ-CQSZACIVSA-N 279.430 3.866 0 40 CHAB CCC(CC)N(C)C(=O)N[C@H](C)Cc1ccsc1 57855946 QCOJDDKPDALEGB-LLVKDONJSA-N 268.426 3.509 0 40 CHAB CC1=C[C@H](C)[C@@H]2CO[C@@H](c3ccc(O)cc3)[C@@H]1[C@H]2C 105364600 UVEZFZYRAYSXIF-CWKGXVCISA-N 258.361 3.928 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nc(C)c(C)s2)C1(C)C 24541731 RBPJHZRHEPDCCT-NWDGAFQWSA-N 278.421 3.937 0 40 CHAB CCCc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 49078940 PWCFYBUKIGMHNX-UHFFFAOYSA-N 272.373 3.647 0 40 CHAB Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)O)cc2)n1 4228124 TYEFETXBOCYRFT-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB Cc1nc(N2CCC[C@@H](C)C2)c2oc3ccccc3c2n1 5218679 VUPNUKFJSJXFQR-LLVKDONJSA-N 281.359 3.921 0 40 CHAB O=C(C[C@H]1C=CCC1)N[C@H]1CCCc2ccccc21 14019832 WDBFJGZMTUGNOJ-BBRMVZONSA-N 255.361 3.537 0 40 CHAB O=C(Cc1cccc(Cl)c1)Nc1cccc(F)c1 67786405 PYLAGTHANABRPY-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB CC1(C)CCC(Nc2cnn(CC(F)F)c2)CC1 90190027 PMMXUCLXGHZAMS-UHFFFAOYSA-N 257.328 3.529 0 40 CHAB c1ccc2c(c1)CC[C@@H]2N(Cc1noc(C2CC2)n1)C1CC1 71841050 ICXPJCYOZLKDRP-INIZCTEOSA-N 295.386 3.599 0 40 CHAB COC(=O)Nc1ccc(NCc2ccc(C)o2)cc1F 97084026 PHKHYFULOQYHLH-UHFFFAOYSA-N 278.283 3.518 0 40 CHAB c1csc(-c2cnc(Cn3cnc4ccccc43)o2)c1 98019052 CEEKSSWTEYVYPA-UHFFFAOYSA-N 281.340 3.801 0 40 CHAB COC(=O)c1ccc(Nc2ccnc3cc(F)ccc23)cc1 64874562 TYNHJRJMBCHOQU-UHFFFAOYSA-N 296.301 3.904 0 40 CHAB Cc1nc(CN2CCC(C(F)(F)F)CC2)sc1C 88602404 RVIMARDJBKDVGK-UHFFFAOYSA-N 278.343 3.534 0 40 CHAB Cc1noc(C)c1C[C@H](C)N[C@H](C)CSC(C)(C)C 95968230 PVRGDFXUYUSKPU-WDEREUQCSA-N 284.469 3.732 0 40 CHAB COc1cccc([C@@H](NC(=O)CC(C)C)C(C)(C)C)c1 75093857 XGFVLCRVLSLACC-MRXNPFEDSA-N 277.408 3.945 0 40 CHAB C[C@@H](OC(=O)c1nccc2ccccc12)c1nccs1 76094557 RSHANNOIAONGBU-SNVBAGLBSA-N 284.340 3.609 0 40 CHAB Cc1cccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)n1 25340960 IJFOKQMFDMOIED-INIZCTEOSA-N 286.350 3.656 0 40 CHAB C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(Cl)cc1 27663983 ZBKBPVWGLOJJOT-SNVBAGLBSA-N 289.766 3.760 0 40 CHAB COc1ccc(-c2ccnn2-c2ccccc2)cc1 20635943 NGLHBXFISSPJDX-UHFFFAOYSA-N 250.301 3.548 0 40 CHAB COc1ccc(C(=O)CNc2ccc(C)cc2C)cc1 534904 VEJDHGZTEKZGOA-UHFFFAOYSA-N 269.344 3.607 0 40 CHAB biogenic CCCN1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 72215940 BDRMMKLYWLGGIK-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB CCC(=O)c1ccc(N2CCc3ccccc32)nc1C 72224983 BYIGRRLRMDOMDQ-UHFFFAOYSA-N 266.344 3.677 0 40 CHAB Cc1cc(NC(=O)[C@@H](C)S[C@@H](C)c2cccs2)on1 77961499 RNWHSMQLDQBETI-VHSXEESVSA-N 296.417 3.866 0 40 CHAB Cc1cccc(NC(=O)N(C)Cc2ccc(O)cc2)c1C 72280557 KSVWZABRYLUZOD-UHFFFAOYSA-N 284.359 3.673 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(NCCC)nc1 72213199 FZZBMIACFYVTJE-OAHLLOKOSA-N 261.413 3.841 0 40 CHAB CC(C)(C)c1cnc(CSc2nnc(C3CC3)o2)o1 41368482 FYSYEMYGJBGFFT-UHFFFAOYSA-N 279.365 3.525 0 40 CHAB CC[C@@H](O)c1cnc(N2CCCc3ccccc32)c(C)c1 72222875 VRNWPOBXGDIVQZ-QGZVFWFLSA-N 282.387 3.918 0 40 CHAB c1csc([C@@H](N[C@@H]2CCCc3occc32)C2CC2)n1 192903853 SICGSGZFDXLPNE-OCCSQVGLSA-N 274.389 3.854 0 40 CHAB O=C(Cc1cccc(Cl)c1)NCc1ccccc1Cl 225162795 UFDXTFINCWUOAT-UHFFFAOYSA-N 294.181 3.852 0 40 CHAB COc1ccc(NC(=O)N(CCC(C)C)C2CC2)cc1 40067749 LUCUHHUEWRBOSC-UHFFFAOYSA-N 276.380 3.738 0 40 CHAB Cc1ccc(C(=O)c2cccc(C(F)(F)F)c2)nc1 45028532 DBAFTMIPOBQXTD-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1ccc(-c2noc(-c3ccccc3N)n2)cc1C 89262348 VSOMULJJFIJWHQ-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225645091 JVHIZLMEQQVKEA-QGZVFWFLSA-N 291.391 3.537 0 40 CHAB CCOC(=O)c1ncc(-c2ccc(Cl)cc2)s1 199567568 OOZOKFBMKPCYNT-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB CCCCNC(=O)c1ccc(OCC)c(COCCC)c1 224702392 NRZGAJIUXFILID-UHFFFAOYSA-N 293.407 3.542 0 40 CHAB CSC(=S)n1c(=NC(C)(C)C)sc2ccccc21 256028226 ZGUQWTFXPNODGY-UHFFFAOYSA-N 296.486 3.898 0 40 CHAB COc1cc(C(=O)c2cc(C)ccc2C)ccc1F 95916827 URRYEYKPHZTHRC-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB Nc1cccc(Cl)c1Oc1ccc(F)cc1F 14629307 WUJPUXDXGVFFCL-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB in-vitro Cc1cc(C)cc(C(=O)Nc2cc(C(=O)O)ccc2C)c1 13169703 HUTIBZWGQBVEFO-UHFFFAOYSA-N 283.327 3.562 0 40 CHAB Sc1nnc(-c2ccncc2)n1CCC1=CCCCC1 13534976 COKDYECHRNXODZ-UHFFFAOYSA-N 286.404 3.519 0 40 CHAB Cc1cc(CSC(=N)N)ccc1OCCC(C)C 16851425 IDDSSDJCUBNAME-UHFFFAOYSA-N 266.410 3.547 0 40 CHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccncc1 18171997 CQCPUQYNMNGODU-JTQLQIEISA-N 275.739 3.618 0 40 CHAB O=C(Nc1ccncc1)c1ncoc1-c1cccc(Cl)c1 19293485 UCQSQMJZKKHLDT-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1c(C)cccc1C 19736421 IYGNPZPXJDTRPF-CQSZACIVSA-N 298.386 3.600 0 40 CHAB Oc1ccc(Cl)cc1NC(=S)NC1CCCCC1 168982083 WJDABGFCMFRXQI-UHFFFAOYSA-N 284.812 3.665 0 40 CHAB CSc1ccccc1NC(=O)c1cccc(N(C)C)c1 5934644 ZFNSLSGJTOOJAM-UHFFFAOYSA-N 286.400 3.727 0 40 CHAB O=C(CCC(=O)c1cccs1)OCc1ccccc1F 7778223 CZMFULPZEXLBSO-UHFFFAOYSA-N 292.331 3.594 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1 6831152 LKDQYGMXKRFNMW-UHFFFAOYSA-N 269.348 3.705 0 40 CHAB O=C(O)c1ccccc1SCCOc1ccc(F)cc1 13189506 QQHOXSNHCXMTBO-UHFFFAOYSA-N 292.331 3.695 0 40 CHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2)c1 13670739 JSJKDMYANMNHGX-CQSZACIVSA-N 253.345 3.794 0 40 CHAB Cc1cccc(NC(=O)Nc2cn(C)c3ccccc23)n1 5265870 IWWLJWFNJRWKOK-UHFFFAOYSA-N 280.331 3.526 0 40 CHAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccno1 10253789 CELAQARCZXDOID-UHFFFAOYSA-N 295.323 3.690 0 40 CHAB CC(C)(C)c1ccc(-c2nnc(S)s2)cc1 30714568 FHZMAQUDYCDFIS-UHFFFAOYSA-N 250.392 3.791 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)O[C@@H](C)C1 40526120 CIHORNHWHVMWPW-KBPBESRZSA-N 290.407 3.760 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccc2c(c1)CCC2 20569813 QFVMWJBXOUEKOD-CHWSQXEVSA-N 272.392 3.970 0 40 CHAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(Cl)cc1 47672 PKMDOGQJFLVZEJ-GXDHUFHOSA-N 283.714 3.685 0 40 CHAB COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 58046 ZZMVBTSFGRXFPX-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB biogenic O=c1oc2ccccc2cc1-c1nc2ccccc2o1 193155 RVDUJQJNCDQXMC-UHFFFAOYSA-N 263.252 3.601 0 40 CHAB Cn1c(SCc2ccc(Cl)cc2)nnc1C1CC1 410384 UVOYTQLUYZODNK-UHFFFAOYSA-N 279.796 3.638 0 40 CHAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccccc2)C1 572803 VBARFZRVWLOROJ-YOEHRIQHSA-N 257.377 3.727 0 40 CHAB CCN(CC)[C@@H](C)[C@H](O)c1ccc2cccc3c2c1CC3 1592042 FXEIPEMCWVHOLS-DJJJIMSYSA-N 283.415 3.702 0 40 CHAB CCCCN(CCCC)C(=N)c1cc(OC)ccc1OC 1733631 FFYWIINNLNGMTR-UHFFFAOYSA-N 292.423 3.931 0 40 CHAB CC(C)(C)c1ccc(C(=O)CCCCC(=O)O)cc1 2579956 WBPZIZTWKYCJSM-UHFFFAOYSA-N 262.349 3.812 0 40 CHAB c1ccc2sc(-c3ccc4c(c3)OCCO4)nc2c1 3335802 ORMSDFPLPCALKK-UHFFFAOYSA-N 269.325 3.735 0 40 CHAB CCc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 3422776 VXWMEZRBSSZPCB-UHFFFAOYSA-N 287.790 3.875 0 40 CHAB Cc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@H](c1ccco1)N2 3905472 JRMFPRLCQZRNAX-LYRGGWFBSA-N 255.317 3.832 0 40 CHAB CCOC(=O)/C=C(\C)Nc1ccc(Cl)cc1C 5195221 YVNPEKKJIPBROR-CSKARUKUSA-N 253.729 3.527 0 40 CHAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 5559266 IAURWOWBJSLQQR-SNVBAGLBSA-N 277.726 3.970 0 40 CHAB Cc1cccc(C)c1NC(=O)c1c(F)cccc1F 5938066 CVUVJTQSNFNNCB-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(OC)cc1 7037290 VPTKPSWBEXWIDQ-MXHVWWQHSA-N 295.382 3.976 0 40 CHAB O=C(N[C@H]1CCOc2ccccc21)c1ccccc1Cl 7214548 XXFZBKGHQUVMSU-AWEZNQCLSA-N 287.746 3.594 0 40 CHAB CCCc1nn2cc(-c3ccccc3OCC)nc2s1 7994992 UZRPZWJHFDUOBQ-UHFFFAOYSA-N 287.388 3.809 0 40 CHAB Cc1ccc2oc(C(=O)Nc3ccc(F)c(F)c3)cc2n1 8798683 HWAMBGBJNWROOP-UHFFFAOYSA-N 288.253 3.667 0 40 CHAB Cc1nc(Nc2ccncc2)c2oc3ccccc3c2n1 9009473 SLFHUCWLHRKVSG-UHFFFAOYSA-N 276.299 3.823 0 40 CHAB Cc1ccc(NC(=O)N[C@@H]2CCc3ccccc32)cc1 12867162 FHCFMPBLXRNADX-MRXNPFEDSA-N 266.344 3.804 0 40 CHAB C[C@H](c1cccs1)N(C)C(=O)c1ccccc1F 12973458 MCYGZWGYGPFNDC-SNVBAGLBSA-N 263.337 3.720 0 40 CHAB CCOc1ccc(OCC)c(NC(=O)[C@@H]2CC=CCC2)c1 13003550 PXUUFEAKVKELNT-CYBMUJFWSA-N 289.375 3.779 0 40 CHAB CCCCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 13709292 MSDNBRDPCSZNKK-CQSZACIVSA-N 285.387 3.914 0 40 CHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)C 14400793 FOBZMTWELAFYNS-LBPRGKRZSA-N 277.408 3.666 0 40 CHAB Cc1cc(C)c(NC(=O)c2cccc(N)c2C)c(C)c1 19270529 LQEQIEGAXBILRX-UHFFFAOYSA-N 268.360 3.755 0 40 CHAB CCOc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1 19736529 OGZZERCAQUTUCN-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB Cc1ccc(-c2noc(-c3ccc(Cl)c(N)c3)n2)cc1 19986158 MVOKVXAOTJEXJV-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB OC1=Nc2n[nH]cc2[C@@H](c2cccc3ccccc23)C1 20737380 UBYSXCWGEXJOCT-CYBMUJFWSA-N 263.300 3.687 0 40 CHAB Cc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)on1 22257448 QRXYXLREXZJXSV-NSHDSACASA-N 288.372 3.514 0 40 CHAB Cc1ccsc1CNC(=O)c1ccc(Cl)cc1F 25721045 FERAJEXBSLCMRW-UHFFFAOYSA-N 283.755 3.779 0 40 CHAB C[C@H](NC(C)(C)C)C(=O)C12CC3CC(CC(C3)C1)C2 27988417 MIAWBOWAAZHWMV-GVMDUPDNSA-N 263.425 3.549 0 40 CHAB O=C(NC1CCCCCC1)c1ccc2cc[nH]c2c1 32476880 RMWGAPFJRFEHBV-UHFFFAOYSA-N 256.349 3.621 0 40 CHAB CCCn1c(CCCCCN)nc2cc(Cl)ccc21 37440495 IOMBAWQPFWGPEF-UHFFFAOYSA-N 279.815 3.771 0 40 CHAB COCCN(CC(C)C)C(=O)Nc1cc(Cl)ccc1C 40099211 GIPHYMVNZXBYGF-UHFFFAOYSA-N 298.814 3.785 0 40 CHAB O=C(c1ccc2c(c1)CCO2)N1CCC[C@H]1c1ccsc1 40107758 BDFNHXMYFQWFBG-HNNXBMFYSA-N 299.395 3.660 0 40 CHAB O=C(Nc1cccc2cnccc12)NC1CCCCC1 43466901 NJMSNSLZMWMANR-UHFFFAOYSA-N 269.348 3.689 0 40 CHAB Nc1ccccc1SC[C@@H]1CCCN2CCCC[C@@H]12 43959301 MPRLHELMLFULGS-ZFWWWQNUSA-N 276.449 3.625 0 40 CHAB CCOC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 44200619 CXPOENCKRJUREO-UHFFFAOYSA-N 286.171 3.901 0 40 CHAB Cc1nn(C(C)C)c(C)c1Nc1ncnc2ccccc12 48252221 LOGXCSYZLAETFY-UHFFFAOYSA-N 281.363 3.768 0 40 CHAB O=C(Nc1ccnn1C1CCCCC1)[C@@H]1CC=CCC1 48367425 DSRBREKQMJQXHR-CYBMUJFWSA-N 273.380 3.683 0 40 CHAB Cc1ccc(NC(=O)c2cc3cc(C)ccc3o2)nc1 48723222 ICSJVGKIRLVOBI-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB Brc1ccc(COC2CCCC2)cc1 49600854 GFXUQESZSCMBEC-UHFFFAOYSA-N 255.155 3.908 0 40 CHAB CC(=O)NC1CCN([C@@H](C)c2ccc3ccccc3c2)CC1 50989801 XGMHKXTUSQAWBB-AWEZNQCLSA-N 296.414 3.501 0 40 CHAB CCCOC(=O)c1cc(-c2ccccc2)ccc1OC 57339880 RIROVSNMWIDPDO-UHFFFAOYSA-N 270.328 3.929 0 40 CHAB CC[C@H](C)n1c(CCC(=O)O)nc2cc(Cl)ccc21 64874422 RMXSVVOAOOSFKN-VIFPVBQESA-N 280.755 3.678 0 40 CHAB CC(C)CC(=O)Nc1ccccc1OCc1cscn1 65586678 JISBTQSNLBGNHR-UHFFFAOYSA-N 290.388 3.707 0 40 CHAB O=C(c1cccc(NCc2cccc(F)c2)c1)N1CCCC1 65605559 MMNNZIAOILESFI-UHFFFAOYSA-N 298.361 3.674 0 40 CHAB Nc1cc(CN2CCCC2)ccc1NC1CCCCC1 71788745 BQXNQZSGULSJTN-UHFFFAOYSA-N 273.424 3.609 0 40 CHAB COc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1 71823499 UWYRIIZXBNFASE-GFCCVEGCSA-N 285.343 3.654 0 40 CHAB Cc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72211235 HTWPDSSQQWXQMM-QGZVFWFLSA-N 296.370 3.864 0 40 CHAB CC(C)CN1CCC[C@@H]1c1cccnc1OC(C)C 72211962 FRCYRFSDMRZTJJ-OAHLLOKOSA-N 262.397 3.662 0 40 CHAB CCCCN1CCC[C@@H]1c1cccnc1N1CCCC1 72215987 ASMHQXCDBNWZIE-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB CC[C@H](O)c1ccc(N2CCCc3ccccc32)nc1 72225787 CTYDHNWZRWBZRM-INIZCTEOSA-N 268.360 3.609 0 40 CHAB Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1 72331490 GISDCWLDXBVVCD-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB Cc1nccc([C@@H]2CCCCN2Cc2ccc(F)cc2)n1 72379981 BEBAXZNQMAUMHS-KRWDZBQOSA-N 285.366 3.651 0 40 CHAB O=C(Nc1cnoc1)C1c2ccccc2Oc2ccccc21 75170925 DRLMIXDWRHDGHE-UHFFFAOYSA-N 292.294 3.551 0 40 CHAB O=C(CSc1ccncc1)NCC1CCCCCCC1 79179486 IZRXLNUWTYVOHO-UHFFFAOYSA-N 292.448 3.650 0 40 CHAB C[C@H]1C[C@@H](NC2CCC(O)CC2)c2ccsc2S1 90800606 AZZSPCXBAGUEBL-HHISKICNSA-N 283.462 3.567 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1CSC(F)(F)F 91252851 JBNQLMSUMXCJKW-QMMMGPOBSA-N 285.331 3.639 0 40 CHAB O=C(CCCOc1ccccc1F)Oc1ccccc1F 94992607 WDZZHOZDPYWSQB-UHFFFAOYSA-N 292.281 3.729 0 40 CHAB CSc1ccc([C@H](C)NCc2cccnc2)cc1F 95967083 YVCQDNKZKHDUTQ-NSHDSACASA-N 276.380 3.793 0 40 CHAB CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)[C@H](C)CC)c1 95967327 ATOQZLBCFDQYGP-ILXRZTDVSA-N 290.451 3.739 0 40 CHAB Cc1nc(-c2ccccc2)sc1NC(=O)c1ccncc1 97086107 SMOQRXACRYVRQM-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1nc(C2=C(O)CN(Cc3ccccc3)C2=N)sc1C 102727043 XLSVNLOQKVFMMZ-UHFFFAOYSA-N 299.399 3.522 0 40 CHAB O=C(C[C@@H]1C(=O)Nc2ccccc21)c1ccc(Cl)cc1 104817535 NGZZLTWPPYNTTL-ZDUSSCGKSA-N 285.730 3.649 0 40 CHAB Cc1nc(CN2[C@@H](C)Cc3cc(F)ccc3[C@H]2C)oc1C 108155488 HTCQZYJMNAHINT-CMPLNLGQSA-N 288.366 3.938 0 40 CHAB Cc1c(OCc2ccccc2)ccc(C(=O)O)c1C 141115882 RMRXHCMHTCMERT-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB CCc1ccc(C[C@H](Oc2ccc(C)cc2)C(=O)O)cc1 225042392 WZHAUQKVDHUOCH-KRWDZBQOSA-N 284.355 3.632 0 40 CHAB CC[C@H](C)Oc1ccc([C@H](C)NCCCOC)cc1 225170142 WOOPXKSILOWVOP-KBPBESRZSA-N 265.397 3.551 0 40 CHAB COc1cccc(NC(=O)c2cc(C)c(C)cc2C)c1 225638896 XCFFVIULWJLMHU-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB Cc1cn[nH]c1[C@@H]1CCCN1Cc1cccc2ncccc12 257230853 GEEIKOFVCLWOKP-KRWDZBQOSA-N 292.386 3.603 0 40 CHAB Cc1ccccc1CSc1nc(O)c2ccsc2n1 408597862 SHARNAYBTDFMQA-UHFFFAOYSA-N 288.397 3.998 0 40 CHAB CCCC(=O)c1ccc(OC(F)(F)C(F)F)cc1 575242613 ABIQTXPBUAXRKZ-UHFFFAOYSA-N 264.218 3.906 0 40 CHAB Cc1ccccc1NC(=O)NCc1ccc(C2CC2)nc1 585150431 VZUROMBGRJQFGC-UHFFFAOYSA-N 281.359 3.589 0 40 CHAB Cc1c(C(=O)N[C@H](C)c2ccccn2)oc2c(F)cccc12 6822615 IBLFRTKNQCKEQL-LLVKDONJSA-N 298.317 3.766 0 40 CHAB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 7792453 RLQIVISKKSTTSE-QGZVFWFLSA-N 283.371 3.885 0 40 CHAB COC1[C@H]2C=C[C@H]1[C@H]1[C@@H]3CC[C@H](c4ccccc43)[C@H]21 101044734 ZKULZUFLJQGWTA-KOWPAETKSA-N 252.357 3.724 0 40 CHAB COc1ccccc1NC(=S)N1CCCCCCC1 3239903 OEMTXKCHDNMKMF-UHFFFAOYSA-N 278.421 3.658 0 40 CHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(F)c1 8481048 PHEFWLKIPGHFPW-CQSZACIVSA-N 291.297 3.761 0 40 CHAB CC(=O)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 1414676 VDKKKDCNGYVWHA-YOEHRIQHSA-N 284.403 3.742 0 40 CHAB biogenic CC(C)[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 57160063 BLPNDBQKTSBXHZ-QMMMGPOBSA-N 260.164 3.768 0 40 CHAB C[C@@]12CCC[C@@H]1[C@@H]1C[C@H]3C(=O)[C@@](C)(CC[C@H]3O)[C@@H]1CC2 103938847 MEAPGCUXQDUQKX-NCRVHJKRSA-N 276.420 3.569 0 40 CHAB Cc1ccc([C@@H](CC(=O)c2ccco2)SCCO)cc1 1896346 PIRIGGVEFQHHDW-MRXNPFEDSA-N 290.384 3.628 0 40 CHAB C[S@@](=O)Cc1cccc(NCc2ccc(Cl)s2)c1 95429148 ZBDJXEJDXZTKRO-SFHVURJKSA-N 299.848 3.892 0 40 CHAB CCCCCn1c(CN2CCCC2)nc2ccccc21 21785131 AUYVHLBXIQXASC-UHFFFAOYSA-N 271.408 3.822 0 40 CHAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1F 3410634 OLKNSBCSGGZZRW-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB Cc1[nH]c2ccc(C(=O)O)cc2c1Cc1ccccc1 23528962 VEFVPIQNXDGZMO-UHFFFAOYSA-N 265.312 3.765 0 40 CHAB CCc1ccc(NC(=O)Nc2cccc(C)n2)cc1 13331682 DGOAIJCATIBMSC-UHFFFAOYSA-N 255.321 3.596 0 40 CHAB Brc1ccc2c(c1)[C@@H]1CCCC[C@H]1N2 71484273 FWGKDJGZEJDJEF-GXSJLCMTSA-N 252.155 3.901 0 40 CHAB CC(C)CCNCc1ccc(Br)cc1 13717823 MLSMWAYDNPJGJI-UHFFFAOYSA-N 256.187 3.585 0 40 CHAB CC(C)[C@@H](CC(=O)NCc1cccnc1)c1ccccc1 13721997 VZKMNHKSDUVQJJ-QGZVFWFLSA-N 282.387 3.528 0 40 CHAB CCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1 19736110 MIUQUMZQIYFIHT-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB CCN(CC)Cc1ccc(CNC(=O)CC(C)(C)C)cc1 39995669 SSELGPMUGHFPQL-UHFFFAOYSA-N 290.451 3.581 0 40 CHAB Cc1ccc(NC(=O)c2cc3cc(C)ccc3nc2C)nc1 9468679 UNGLOUYDLGDYCZ-UHFFFAOYSA-N 291.354 3.807 0 40 CHAB CCc1ccc(CNC(=S)c2ccccc2OC)cc1 408576303 XDRPTTDWDJUXMA-UHFFFAOYSA-N 285.412 3.723 0 40 CHAB CCOCc1cccc(NC(=O)[C@@H](OC)c2ccccc2)c1 69528170 UGDHONUCHCOZLR-KRWDZBQOSA-N 299.370 3.549 0 40 CHAB Cc1noc(C)c1CN(C)Cc1cnc(C2CCC2)s1 91812861 DYCXOXHSPJYSMQ-UHFFFAOYSA-N 291.420 3.647 0 40 CHAB CCC(CC)NC(=O)CSc1ccc2ccccc2n1 8624766 BRSPTPRHGAJNBB-UHFFFAOYSA-N 288.416 3.632 0 40 CHAB Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C)o2)n1 72273733 GOPVGRYENGPTCC-GFCCVEGCSA-N 290.388 3.720 0 40 CHAB O=C(c1cnc2ccccc2c1Cl)N1CCCCC1 75490534 BCNFAQJAVFVICV-UHFFFAOYSA-N 274.751 3.514 0 40 CHAB O=C(c1cnc2ccc(F)cc2c1Cl)N1CCCCC1 75490547 DWBVCAWEGPSCIS-UHFFFAOYSA-N 292.741 3.653 0 40 CHAB O=C(Nc1cc(Cl)ccn1)c1cccc(Cl)c1 33504364 YAEAEMABIDNLIN-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N(C)C2CCCC2)c1 38756495 DEPMFXDLDPCMRU-OAHLLOKOSA-N 289.419 3.780 0 40 CHAB C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2O 5529906 PUQSDJZESAQGQS-XSLAGTTESA-N 272.388 3.553 0 40 CHAB biogenic Cc1ccc(-c2nnc(CO[C@@H]3CCC[C@@H](C)C3)o2)o1 521393916 DUIRTUCVOALGLO-ZYHUDNBSSA-N 276.336 3.733 0 40 CHAB CCCCN1CCC[C@@H]1CCCNCc1ccccc1 218329857 YUMBEQTZFVWICQ-SFHVURJKSA-N 274.452 3.821 0 40 CHAB c1ccc(Oc2ccc([C@@H]3CCCCN3)cn2)cc1 72212151 LPMDCCWZEGVRIN-HNNXBMFYSA-N 254.333 3.689 0 40 CHAB Cc1ccc2occ/c(=N/Nc3ccccc3)c2c1 31792987 LGEVMCFFTMWWBP-SDXDJHTJSA-N 250.301 3.669 0 40 CHAB CCCCNc1ccc([C@@H]2CCCCN2CC)cn1 72213674 MBMDAUZLYVOHAX-HNNXBMFYSA-N 261.413 3.841 0 40 CHAB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=O)cc21 78582571 ANSSDOAYSUZNQD-SECBINFHSA-N 251.757 3.875 0 40 CHAB C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1cccc(F)c1 78556132 HNPPDHZNYINYHN-WLRWDXFRSA-N 280.339 3.975 0 40 CHAB Cc1nc(Cl)ccc1[C@H]1CCCN1CC(C)C 72217904 PXAMAPUTXROFOZ-CYBMUJFWSA-N 252.789 3.836 0 40 CHAB COc1cccc(C(=O)c2c(Cl)cccc2Cl)n1 45028762 AFHUBTIEQLCTQD-UHFFFAOYSA-N 282.126 3.628 0 40 CHAB C[C@H]1CCCCN1Cc1ccccc1Br 42205991 BOXLAPJBPBVZFU-NSHDSACASA-N 268.198 3.824 0 40 CHAB CCC(CC)C(=O)N1CCC[C@@H]1c1csc(C)n1 193169412 HONMFPMAGMJMQN-CYBMUJFWSA-N 266.410 3.551 0 40 CHAB CNc1cc(C)c2oc(-c3cccc(OC)c3)nc2c1 226272002 SWZIKRLJCZONOX-UHFFFAOYSA-N 268.316 3.854 0 40 CHAB S=C(Nc1ccccc1Cl)N[C@H]1C[C@@H]2CC[C@@H]1C2 225320288 NHQSEXJBUGXWII-BREBYQMCSA-N 280.824 3.815 0 40 CHAB CSc1ccccc1C(=O)NC[C@H](C)c1ccccc1 144666681 HGVKVRXUISOKJJ-ZDUSSCGKSA-N 285.412 3.942 0 40 CHAB C[C@H](OC[C@H]1CO1)c1cc(F)c(Cl)cc1Cl 95096317 GMNNPRMAMBLDBQ-BQBZGAKWSA-N 265.111 3.609 0 40 CHAB Nc1cc2c(C(F)(F)F)cccc2nc1OCC1CC1 685938194 GBAHHISRNDIHJW-UHFFFAOYSA-N 282.265 3.625 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(OC)c1 1775995775 IKNFKMFWBDCBCL-GASCZTMLSA-N 286.375 3.800 0 40 CHAB O=C(Nc1cccc(N2CCCCC2)c1)NC1CCCC1 56501857 HHLWTVIDNWCEMD-UHFFFAOYSA-N 287.407 3.741 0 40 CHAB O=C(Cc1ccccc1)Nc1ccccc1C(F)(F)F 29269 MKPYAMZXBHZKJF-UHFFFAOYSA-N 279.261 3.887 0 40 CHAB CC1=[N+](CCCCCC(=O)O)c2ccccc2C1(C)C 5791779 HRZRUURUDZAWAZ-UHFFFAOYSA-O 274.384 3.728 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 13023735 PWQDMRIBILHQAA-CABCVRRESA-N 295.382 3.740 0 40 CHAB CCC(CC)C(=O)N1CCC(c2cc3cccnc3[nH]2)CC1 19500113 SYALVOLGPMDURD-UHFFFAOYSA-N 299.418 3.705 0 40 CHAB Cc1cc(N)c(NC(=O)c2ccccc2C)cc1Cl 226346840 WBNQBOXNTPXINZ-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CN1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 1848352540 WPOKZFQIGJMLDI-CYBMUJFWSA-N 290.794 3.728 0 40 CHAB Cc1noc(C)c1COC(=O)c1ccc2ccccc2c1 2616356 IWQSTXOELFOYQC-UHFFFAOYSA-N 281.311 3.802 0 40 CHAB CCCNC(=O)Nc1ccc(OCc2ccccc2)cc1 5951916 VQUVTJRZTXXNIU-UHFFFAOYSA-N 284.359 3.797 0 40 CHAB O=C(CCc1nc2ccccc2s1)NCc1ccccc1 6402058 YMJGXHOKOZQJLT-UHFFFAOYSA-N 296.395 3.545 0 40 CHAB CCCc1n[nH]c(SCc2nc3ccccc3s2)n1 11463606 UPJSRADOLKNFHH-UHFFFAOYSA-N 290.417 3.659 0 40 CHAB C[C@H](CN1c2ccccc2Sc2cccnc21)N(C)C 1678303 OQJBSDFFQWMKBQ-GFCCVEGCSA-N 285.416 3.634 0 40 CHAB biogenic,world CCOC(=O)c1ccc(Br)c(C(F)(F)F)c1 47202683 WFVVYJMUQCKDEC-UHFFFAOYSA-N 297.070 3.645 0 40 CHAB in-vitro COc1ccccc1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100626524 UTRVMFKOYIQRGJ-SCLBCKFNSA-N 287.403 3.736 0 40 CHAB biogenic c1cc(Nc2ncnc3ccccc23)cc(NC2CC2)c1 40155571 PHKYPJOJTPBSEK-UHFFFAOYSA-N 276.343 3.948 0 40 CHAB CCc1cccc(C)c1NC(=O)N[C@@H](C)c1ccncc1 40525496 XEEVJTJBEAYXGW-ZDUSSCGKSA-N 283.375 3.835 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc2ncccc12 20925899 IBGDSAMFWMYMLO-LBPRGKRZSA-N 252.317 3.530 0 40 CHAB CC[C@@H](C(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 362358 VUHYBSBGVLRAJV-QGZVFWFLSA-N 282.387 3.885 0 40 CHAB Cc1ccc(C(=O)OCc2nc3ccccc3nc2C)s1 32942963 UZPDGSIULCRILV-UHFFFAOYSA-N 298.367 3.665 0 40 CHAB O=C1Nc2ccccc2[C@H]2Cc3c([nH]c4ccccc34)C[C@@H]12 1692016 VTLHZVQWKGYIBJ-UKRRQHHQSA-N 288.350 3.619 0 40 CHAB CCCCCCOC(=O)C[C@H]1C[C@H](C(C)=O)C1(C)C 1718999 OIAFJHAHYHANJZ-ZIAGYGMSSA-N 268.397 3.751 0 40 CHAB CCN(CCCCCN(C)C)Cc1cc2ccccc2o1 3154921 NBSBWIMTXRSXFJ-UHFFFAOYSA-N 288.435 3.987 0 40 CHAB CCN(CC)C[C@@H](O)c1cccc2cc(Cl)ccc12 6382488 AKAWUSJVGKOWBC-MRXNPFEDSA-N 277.795 3.868 0 40 CHAB CCC(CC)NC(=O)CCc1ccc(Cl)cc1 53665018 PLVUSGZXYISVED-UHFFFAOYSA-N 253.773 3.577 0 40 CHAB CC(C)c1ccc(OCCNC(=O)C[C@@H]2C=CCC2)cc1 48333607 XUJKZICIBHFQRV-OAHLLOKOSA-N 287.403 3.661 0 40 CHAB CC(C)CNC(=O)CCc1ccc(C(C)(C)C)cc1 10338915 BOLNDYRFXFUWCZ-UHFFFAOYSA-N 261.409 3.689 0 40 CHAB CCNC(=O)c1ccccc1OCc1ccc(Cl)cc1 12809362 KQLVSWPNUIQNSG-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB Cc1sc(N)nc1-c1c(C)n(C)c2ccccc12 13207127 RTBVTFPSDABEHE-UHFFFAOYSA-N 257.362 3.501 0 40 CHAB c1csc(-c2nc3nccc(-c4cccs4)n3n2)c1 72451447 OYXSFJCEEQLRMQ-UHFFFAOYSA-N 284.369 3.581 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1ccc(Br)cc1 19676682 KNZDWSZSUKWEKE-JTQLQIEISA-N 280.165 3.744 0 40 CHAB CCOc1ccc(NCCOc2ccc(C)cc2)cc1 19737665 HZFJISVNZQMGEK-UHFFFAOYSA-N 271.360 3.885 0 40 CHAB CCCn1c(NC(=O)c2ccccc2F)nc2ccccc21 6516448 IIZDZZRKYVITON-UHFFFAOYSA-N 297.333 3.838 0 40 CHAB Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O 4785161 SAEYFBSGAQMXOW-DHZHZOJOSA-N 296.757 3.757 0 40 CHAB S=C1NC2(CCCC2)N=C1c1ccc(Cl)c(Cl)c1 4891084 ZHDIXPHJPYKXMM-UHFFFAOYSA-N 299.226 3.983 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2OCC(C)C)cc1 8723100 QUVDPVVISSVVRC-UHFFFAOYSA-N 299.370 3.982 0 40 CHAB COc1ccc([C@@H](NCc2nc(C)c(C)o2)C(C)C)cc1 97033042 YAMSYGGGYCWRRI-KRWDZBQOSA-N 288.391 3.787 0 40 CHAB c1cncc(CCN[C@H]2CC3(CCC3)Oc3ccccc32)c1 95420052 YTFXKFQNMDPSCS-KRWDZBQOSA-N 294.398 3.660 0 40 CHAB CN1C(=O)c2ccccc2N[C@@H]1c1cnc(C2CCC2)s1 89374757 NXYBYINUZXUZOT-AWEZNQCLSA-N 299.399 3.607 0 40 CHAB CC(C)Oc1ccccc1NC(=O)Cc1ccccc1F 31776317 ZFPHFRYGFYASJB-UHFFFAOYSA-N 287.334 3.794 0 40 CHAB O=c1oc(Nc2ccccc2)nc2sc3c(c12)CCCC3 34138980 VIFWQGLEQSMDFF-UHFFFAOYSA-N 298.367 3.872 0 40 CHAB COC(=O)c1ccc(OC(=O)CCC2CCCCC2)cc1 32145342 FKWWMWIAYLJRHP-UHFFFAOYSA-N 290.359 3.739 0 40 CHAB CCCn1nc(C)cc1NC(=O)[C@@H](CC)c1ccccc1 32609931 KIFINIXQDUVGMZ-HNNXBMFYSA-N 285.391 3.734 0 40 CHAB CC[C@@H](C)n1c([C@H](C)O)nc2cc(Cl)ccc21 40407649 HIZJUPGOIPVYGI-BDAKNGLRSA-N 252.745 3.714 0 40 CHAB Cc1cc([C@@H](O)c2cccc3ccccc23)ccc1N 226294616 JWGXUTSAAOAFMK-GOSISDBHSA-N 263.340 3.812 0 40 CHAB C[C@@H](CNC(=O)CCCOc1ccccc1)c1ccccc1 43700766 MINYBEROERBSSF-INIZCTEOSA-N 297.398 3.766 0 40 CHAB c1coc(Cc2ccc(CNC3CCCCC3)[nH]2)c1 226021168 DHDIACVQLJRRAE-UHFFFAOYSA-N 258.365 3.621 0 40 CHAB CC(C)C(NC(=O)c1ccc(Cl)cc1F)C(C)C 223383881 MBOYNQYTTWVBRH-UHFFFAOYSA-N 271.763 3.890 0 40 CHAB O[C@@H](c1ccc(F)c(F)c1)c1ccccc1Br 40254583 VEMAOSYTXWVIHO-ZDUSSCGKSA-N 299.114 3.809 0 40 CHAB NCCCNc1ccnc2c(Oc3ccccc3)cccc12 222684033 SEWYIDRRJWZQRM-UHFFFAOYSA-N 293.370 3.788 0 40 CHAB CC(C)n1cc(C(=O)NCc2ccco2)c2ccccc21 95472307 DNDMZHMMWOZPDE-UHFFFAOYSA-N 282.343 3.745 0 40 CHAB Cc1cc([C@@H](NC2CCOCC2)C(C)C)c(C)s1 95422324 HAKQZINWJOSCRU-HNNXBMFYSA-N 267.438 3.831 0 40 CHAB c1cc(CN2[C@H]3CC[C@H]2CC(=C2CCC2)C3)ccn1 1776001733 IQIUEHBQIWBASD-IRXDYDNUSA-N 254.377 3.689 0 40 CHAB COc1ccc(Cl)cc1[C@H](C)NCc1ncccc1C 95967774 JTQMNIOUTNQSAO-LBPRGKRZSA-N 290.794 3.903 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)OCc1ccccc1 3228605 PFQZZZKHXPPABD-DHZHZOJOSA-N 256.276 3.582 0 40 CHAB COc1ccc(OC)c(C(=O)Nc2c(C)cc(C)cc2C)c1 15356068 WFNKWHZKGOIGRA-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB O=C(/C=C\c1ccccc1)Nc1cccc(Cl)c1 17042171 ZUKRPXSFAZWKHZ-KTKRTIGZSA-N 257.720 3.992 0 40 CHAB CNCc1cc(C)c(OCc2ccccc2C)c(C)c1 34656730 CQPMTVGAAWIPGE-UHFFFAOYSA-N 269.388 3.910 0 40 CHAB in-vitro Cc1cc(C)c(NC(=O)c2ncnc3c2CCCC3)c(C)c1 1888856572 XNQACTTZGPRUHX-UHFFFAOYSA-N 295.386 3.533 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)CN1CCCCCC1)C2 100720159 SLDMLDVVHRLHBB-MPGHIAIKSA-N 293.451 3.620 0 40 CHAB Clc1ccc2nnc(-c3c(Cl)cccc3Cl)n2n1 93084 FEENJQIBAPFZMH-UHFFFAOYSA-N 299.548 3.752 0 40 CHAB O=C(CC1CCCCC1)Nc1cccc2c1CCCN2 20251921 UHISAGGHSGOBEK-UHFFFAOYSA-N 272.392 3.954 0 40 CHAB in-vitro CCc1cccc(C)c1NC(=O)N1CCCCCC1 40525510 JCMLXRIBECATHS-UHFFFAOYSA-N 260.381 3.965 0 40 CHAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2)c1C 32753995 PLZFFQNSCPLJLA-VAWYXSNFSA-N 294.354 3.605 0 40 CHAB CC[C@H]1C(=O)O[C@@H](c2ccc(Cl)cc2)C(C)(C)C1=O 36844 GKAGFQRGLYYHII-YPMHNXCESA-N 280.751 3.559 0 40 CHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1 191037 KKNAGWFXTJSISY-UHFFFAOYSA-N 279.261 3.887 0 40 CHAB Cc1cccc(C)c1OC(=O)c1ccc(Br)o1 359057 RVBSRWVULGSSBQ-UHFFFAOYSA-N 295.132 3.878 0 40 CHAB Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 993874 SIQGKPGBLYKQBB-RRFJBIMHSA-N 257.377 3.987 0 40 CHAB C[C@@H](Cc1ccccc1)N(O)[C@@H](C)Cc1ccccc1 1604311 ZLCIDACDFVCFMF-HOTGVXAUSA-N 269.388 3.940 0 40 CHAB O=C(c1ccc(Cl)cc1)c1cc2ccccc2oc1=O 1611908 YASKNGDARYBNAQ-UHFFFAOYSA-N 284.698 3.677 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)CCC2CCCCC2)C1 3193293 RKACWDWWQYEARA-ZIAGYGMSSA-N 251.414 3.851 0 40 CHAB COc1cc(C(=O)Nc2cccc(C)c2C)cc(OC)c1C 3482002 KBCMVZWUAPLQDI-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB COc1ccccc1[C@H](CCN)c1ccc(OC(C)C)cc1 4029778 PMQPGWCCKNSQFC-QGZVFWFLSA-N 299.414 3.963 0 40 CHAB biogenic CCCCc1c(C)c2ccc(OCC)cc2oc1=O 4113460 ZCTZZROQPFTOOD-UHFFFAOYSA-N 260.333 3.843 0 40 CHAB C[C@@]1(O)CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 4655130 JXQJDYXWHSVOEF-LTFXXXRZSA-N 286.415 3.999 0 40 CHAB C[C@]12C[C@H](c3ccccc31)[C@@](C)(O)c1ccccc12 4800707 KDXRXFMOGDIKSH-SQNIBIBYSA-N 250.341 3.701 0 40 CHAB CC1=NN(Cc2ccc(Br)cc2)C(C)(C)C1 4834749 ACFBQKVOBOIZMF-UHFFFAOYSA-N 281.197 3.809 0 40 CHAB CC1=CC(C)(C)N=C(S)N1c1ccc(N(C)C)cc1 5138596 GEBOTSFFGIIAOU-UHFFFAOYSA-N 275.421 3.541 0 40 CHAB COc1c(Cl)ccc(Cl)c1C(=O)NC1CCCC1 5511919 NJOUISLTMIYVMU-UHFFFAOYSA-N 288.174 3.674 0 40 CHAB CCC[C@@H](Sc1ccccc1NC(=O)C(C)C)C(=O)O 8732832 VTMMTTGHOLKIMU-CYBMUJFWSA-N 295.404 3.627 0 40 CHAB COc1ccc(Cl)cc1NC(=O)CCc1ccsc1 8923347 AYTRHEJDISHJBB-UHFFFAOYSA-N 295.791 3.981 0 40 CHAB C[C@]12CC[C@H]1C[C@@H]2OC(=O)COc1ccc2ccccc2c1 9191445 HPGCVSXJEMUUBG-IEZWGBDMSA-N 296.366 3.950 0 40 CHAB O=C(NCc1ccccc1)NCC1(c2ccccc2)CCC1 9961270 ZMXVJZWZKRFTDV-UHFFFAOYSA-N 294.398 3.608 0 40 CHAB Cc1cccc(Nc2ccccc2C(=O)NC2CC2)c1C 11639854 GAOUYNZTYAGAHD-UHFFFAOYSA-N 280.371 3.939 0 40 CHAB COc1ccc2c(C(F)(F)F)cc(S)nc2c1 12249794 HIHCZWIKSBEBBR-UHFFFAOYSA-N 259.252 3.551 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)Cc1noc2ccccc12 12791951 YNFOQBLQLDXFOT-CYBMUJFWSA-N 294.354 3.556 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cccc(C)n1 12869783 YNHNRFSFACEXEJ-UHFFFAOYSA-N 254.333 3.513 0 40 CHAB C[C@@H]1C[C@H]1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 14199305 ZOVVTZGROAUXGD-SJKOYZFVSA-N 299.345 3.890 0 40 CHAB O=C(/C=C\c1ccccc1)OC/C=C/c1ccccc1 14652231 NQBWNECTZUOWID-QSYVVUFSSA-N 264.324 3.956 0 40 CHAB endogenous,in-man Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 14914643 RLVQLZXINSMGIX-YPMHNXCESA-N 294.826 3.707 0 40 CHAB CCOc1ccccc1C(=O)NCc1cccc(Cl)c1 15009495 MXXWXCTZNGBCAU-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 15554665 DGMPOQPBSJJMFW-XJKSGUPXSA-N 295.386 3.583 0 40 CHAB CCc1ccc(/C=C2\SC(=S)N=C2O)s1 16989527 MJUMMJJNEVJGQO-YVMONPNESA-N 255.389 3.640 0 40 CHAB CCCCN1C(=O)c2ccccc2[C@@H]1NCc1ccccc1 19907487 LENFWPSQJGLMSQ-GOSISDBHSA-N 294.398 3.731 0 40 CHAB O=C(c1ccccc1)c1c(Cl)ccnc1Cl 21303724 MXMUPWBBSLEKBP-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB CC(C)OC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 23325655 NLNFUSUTAHSPOV-ZDUSSCGKSA-N 287.359 3.547 0 40 CHAB CN(C)c1cccc(C(=O)NCCCCc2ccccc2)c1 32854779 ATRVNTKGCPCNNF-UHFFFAOYSA-N 296.414 3.505 0 40 CHAB CNc1ccc(Br)c(C(F)(F)F)c1 36533385 WSTZKPWXJMMCIK-UHFFFAOYSA-N 254.049 3.510 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)c1 40067691 BLJRVBSLIQQJCP-OAHLLOKOSA-N 285.347 3.660 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(C(F)(F)F)cc1 40072013 ASWPBWXYCOKRLD-AUTRQRHGSA-N 271.282 3.539 0 40 CHAB Nc1nc(Cl)cc(SCc2ccc(Cl)cc2)n1 43534366 QKBPQHRZXPVIEZ-UHFFFAOYSA-N 286.187 3.658 0 40 CHAB Fc1ccc(-c2nc(Br)cs2)cc1 44119655 QYQFXTPEZJYBSM-UHFFFAOYSA-N 258.115 3.712 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC1CCCC1 44903953 FMZMPDBIRRPZIH-OAHLLOKOSA-N 275.392 3.520 0 40 CHAB Cc1occc1C(=O)NCCOc1ccc(C(C)C)cc1 48497925 HNSYYNLZVXOUDU-UHFFFAOYSA-N 287.359 3.520 0 40 CHAB Cc1cc(C(=O)O)nc2c(-c3ccccc3)c(C(C)C)nn12 49538558 ZIBLNAHDINAPPW-UHFFFAOYSA-N 295.342 3.526 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 49930423 ZLWJNUOYLJTKNM-UHFFFAOYSA-N 291.753 3.680 0 40 CHAB Cc1noc(N)c1C(=O)O[C@@H](C)c1cccc2ccccc12 63922930 JFCSPUWOQUPVKZ-NSHDSACASA-N 296.326 3.636 0 40 CHAB O=C(Nc1cccnc1)Nc1ccccc1C(F)(F)F 69350856 VFYWWZHUWXCSNZ-UHFFFAOYSA-N 281.237 3.744 0 40 CHAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(C)cc2)cc1 69483821 GLSOWJVVMCOABT-JLHYYAGUSA-N 295.382 3.675 0 40 CHAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](C(F)(F)F)S1 71285260 KRKVYUVVMDUMPJ-ZETCQYMHSA-N 279.287 3.570 0 40 CHAB CCCN1CCCC[C@H]1c1cccnc1N1CCCC1 72216001 BMQFPJHURSMONU-INIZCTEOSA-N 273.424 3.619 0 40 CHAB Cc1cc(Br)c2[nH]c(C(F)(F)F)nc2c1 72219698 GBSREXPMEYXVCD-UHFFFAOYSA-N 279.059 3.653 0 40 CHAB Cc1nn(C(C)C)c(C)c1NC(=O)CCc1ccccc1 84008371 MIQJQSLIGHAPCV-UHFFFAOYSA-N 285.391 3.652 0 40 CHAB O=C(O)c1[nH]ccc1-c1c(Cl)cccc1Cl 86206547 ZPVCPPDMBVXYOX-UHFFFAOYSA-N 256.088 3.687 0 40 CHAB FC(F)(F)c1nc2ccc(Br)cc2o1 88190268 IOJBYABVFQSLAC-UHFFFAOYSA-N 266.016 3.609 0 40 CHAB CC(C)CC(=O)NC[C@@H]1[C@H](c2ccccc2)C1(C)C 89802180 RNGVSXNMRLNQTJ-ZBFHGGJFSA-N 259.393 3.589 0 40 CHAB O=C(O)c1cc(OC2CCCC2)c(Br)s1 96510791 NDDQRULCNHTHDR-UHFFFAOYSA-N 291.166 3.530 0 40 CHAB Cc1ccc(CNc2nnc(-c3sccc3C)o2)o1 97114560 OVUXTNDAAMOTOX-UHFFFAOYSA-N 275.333 3.620 0 40 CHAB C=Cn1ccc2c1C[C@@H]1CC[C@@H]2N1Cc1ccccc1 100485335 FAIWHDAYVNRBGS-RDJZCZTQSA-N 264.372 3.850 0 40 CHAB CCOc1ccc(CNC(=O)Cc2ccc(C)c(C)c2)cc1 218806381 HHLJEIIULURIIG-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB O=C(c1ccco1)N1CCS[C@@H](c2cccs2)CC1 219490328 RZQHKZRFKUEDSK-CYBMUJFWSA-N 293.413 3.662 0 40 CHAB CCN(Cc1ccccc1)C(=O)c1ccc(OC)c(C)c1 222853261 XIWLDXNCLIZVKL-UHFFFAOYSA-N 283.371 3.666 0 40 CHAB CC[C@H](C)Oc1cccc([C@@H](C)NCCCOC)c1 225166995 BSSLLKWLYFGZDA-UONOGXRCSA-N 265.397 3.551 0 40 CHAB CCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)c(N)c1 225420960 NYEAEKDZJLWCFR-UHFFFAOYSA-N 297.402 3.886 0 40 CHAB Cc1cc(N)c(NC(=O)c2cccc(F)c2)cc1Cl 226347006 GGQVAKYEYLMUGN-UHFFFAOYSA-N 278.714 3.622 0 40 CHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)Cc1ccsc1 244998710 KQMUEMFRJMKKGR-LBPRGKRZSA-N 299.395 3.784 0 40 CHAB O=C(c1cc(F)cc(C(F)(F)F)c1)C(F)(F)Cl 575243008 RZIGLLAXSUMEEI-UHFFFAOYSA-N 276.563 3.859 0 40 CHAB O=C(N1CC[C@H]1C1CCCC1)C12CC(C(F)(F)F)(C1)C2 889407343 ONCYIRXBNJDYLL-XGNXJENSSA-N 287.325 3.510 0 40 CHAB O=C1c2ccccc2C[C@@H]1c1ccc(Br)cc1 936068978 PUECTMZRCBCTDV-CQSZACIVSA-N 287.156 3.972 0 40 CHAB C[C@@H]1C[C@@H](NC(=O)c2cccs2)CC(C)(C)C1 1030409 TVPKFTKNVSYTLO-GHMZBOCLSA-N 251.395 3.693 0 40 CHAB CC(=O)O[C@@H](C)COc1ccc(-c2ccccc2)cc1 1583937 HFBHZHOTVJWLNL-ZDUSSCGKSA-N 270.328 3.684 0 40 CHAB CC[C@@]12CC(=O)CC[C@@H]1CCc1ccc(OC)c(OC)c12 1595202 MHYADKSVNGNATR-SCLBCKFNSA-N 288.387 3.667 0 40 CHAB FC(F)(F)C(F)(F)c1nc2cc(Cl)ccc2[nH]1 2032989 HHNGOBUJWGLZRV-UHFFFAOYSA-N 270.588 3.870 0 40 CHAB CCOP(=O)(OCC)c1ccc(C(F)(F)F)cc1 2518181 MIYZNERMTGBMNK-UHFFFAOYSA-N 282.198 3.597 0 40 CHAB COc1ccc(C)cc1NC(=O)CCCOc1ccccc1 3567184 FCWDVCCSMTYYON-UHFFFAOYSA-N 299.370 3.801 0 40 CHAB Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1F 3567409 GCFAXYYYZNHIHN-WEVVVXLNSA-N 273.282 3.925 0 40 CHAB CCCSc1nnc(NC(=O)c2ccccc2C)s1 4086589 LYXPQQJZBHVLBN-UHFFFAOYSA-N 293.417 3.601 0 40 CHAB CC[C@@H]1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 4713578 QSQVXLCLZLCBMQ-QFQXCOSMSA-N 275.436 3.994 0 40 CHAB CN(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2[nH]1 5346714 OPRRPBAXVZRZDD-UHFFFAOYSA-N 282.318 3.579 0 40 CHAB CCCCN(CCCC)NC(=S)Nc1ccccc1 5551894 CHMGQGBLGLFCQP-UHFFFAOYSA-N 279.453 3.790 0 40 CHAB CCC[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)C[C@@]1(C)O 6576845 KRWCRLSHEPHBQC-BQGCOEIASA-N 289.375 3.816 0 40 CHAB C[C@H]1CCC[C@H](NC(=S)Nc2ccc(F)cc2)[C@@H]1C 6795694 HDVXYNKRVGGROH-WDMOLILDSA-N 280.412 3.937 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc(Cl)c1 6851559 URZHJFNZYVFTGS-GHMZBOCLSA-N 281.787 3.639 0 40 CHAB C[C@H]1CCCN(C(=S)Nc2ccc(Cl)cc2)C1 7558791 KDQPEYKKMDHZLS-JTQLQIEISA-N 268.813 3.769 0 40 CHAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 8196065 CQOJKTBXRXTPCS-GFCCVEGCSA-N 273.763 3.760 0 40 CHAB COc1c(Cl)cc(Cl)cc1Br 8905546 OEYKUHBCPJRXGZ-UHFFFAOYSA-N 255.926 3.765 0 40 CHAB COCc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 9583654 QVSGBVUAFVFIJH-UHFFFAOYSA-N 299.414 3.532 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccsc1 9585780 IWZUDNJFXUFWHW-CQSZACIVSA-N 257.358 3.556 0 40 CHAB CCCCCCOc1ccc(Cl)cc1C(=O)O 11895513 YVSSXWNWVRFDON-UHFFFAOYSA-N 256.729 3.997 0 40 CHAB O=C(Nc1cccc(OC2CCCC2)c1)c1ccco1 12896398 MCGLIPDMCVIQOT-UHFFFAOYSA-N 271.316 3.853 0 40 CHAB COc1cccc2c1N[C@@H](CCc1ccccc1N)CC2 15108792 FLZJIUROKPMEEA-HNNXBMFYSA-N 282.387 3.637 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1c(F)cccc1F 16024422 NKEVUFRXRXWFDX-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB Fc1ccccc1CNC12CC3CC(CC(C3)C1)C2 16449604 OEWOLRPVLKCLLB-UHFFFAOYSA-N 259.368 3.884 0 40 CHAB COC(C[C@@H](C)Nc1ccnc2cc(Cl)ccc12)OC 16954957 ABOUSTDQNQDYKK-SNVBAGLBSA-N 294.782 3.698 0 40 CHAB C(=C/c1nc2ccccc2o1)\c1ccc2c(c1)OCO2 17004820 DPSXZXQPFAYPNZ-SOFGYWHQSA-N 265.268 3.727 0 40 CHAB COc1ccc(NC(=O)C2[C@H]3CCC=CCC[C@@H]23)cc1 18187579 IMMWUAGAFWRTBP-XYPWUTKMSA-N 271.360 3.626 0 40 CHAB CCCN[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 18937923 WHXHLSDRIXDECB-QGZVFWFLSA-N 282.387 3.674 0 40 CHAB C[C@H]1CCCN([C@@H](CN)c2ccc(Cl)c(Cl)c2)C1 20081653 QUIZRRFSKOTIJC-HZMBPMFUSA-N 287.234 3.725 0 40 CHAB Clc1ccc(Cl)c(OCC[C@@H]2CCCCN2)c1 20221547 BTDKHBOOXTVCAU-NSHDSACASA-N 274.191 3.904 0 40 CHAB C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 20569952 JCENVZGUYUCNGD-SECBINFHSA-N 270.735 3.743 0 40 CHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H]1C[C@H]1C 23646447 REKBCAZUUOEUIK-PBHICJAKSA-N 287.447 3.916 0 40 CHAB Cc1cccc(CNC(=O)c2ccc(C)cc2C)c1 31107504 GINLOHWIWBRRDX-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB Cc1ccccc1NC(=O)Nc1cncc(Cl)c1 32611072 IEEMUHSGLLPWSL-UHFFFAOYSA-N 261.712 3.687 0 40 CHAB CNC(=O)c1sc2cccc(Cl)c2c1Cl 32611353 SUAZESPICKNWRZ-UHFFFAOYSA-N 260.145 3.568 0 40 CHAB Cc1nc(CSc2ccc(-c3ccco3)nn2)cs1 36652422 HNCVHDZRPXAESW-UHFFFAOYSA-N 289.385 3.794 0 40 CHAB O=C(CCCc1ccccc1)Nc1ccc(Cl)cn1 40130901 YSLQOUVJTNFXAL-UHFFFAOYSA-N 274.751 3.696 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCC(C)CC1 44902377 DSSGVLWRFIMEMN-INIZCTEOSA-N 289.419 3.719 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)N(C)C2CCCC2)cc1 53333231 YQRZWCFBROMUDH-ZDUSSCGKSA-N 277.433 3.877 0 40 CHAB C(=C/c1ccccc1)\CSc1nncn1Cc1ccco1 58161897 FNKUKAFSUCTTBW-VMPITWQZSA-N 297.383 3.725 0 40 CHAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1nc(-c2ccccc2)c[nH]1 58249793 RFFFRIKXVFOSEF-ZFWWWQNUSA-N 295.386 3.610 0 40 CHAB c1ccc(COc2ccc(OCc3ccccc3)nn2)cc1 62716021 ZGKRPSZFVMBILV-UHFFFAOYSA-N 292.338 3.635 0 40 CHAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)c1 65552510 JTNJROVAQQWENM-QGZVFWFLSA-N 296.370 3.503 0 40 CHAB O=C(O)c1ccc(SCc2ccccc2Cl)o1 67341210 PEFKALDHRMCDAS-UHFFFAOYSA-N 268.721 3.924 0 40 CHAB CO[C@H]1CCC[C@H](OC(=O)c2cnc(C(C)(C)C)s2)C1 67475814 JFQXJLBLTBKVIC-QWRGUYRKSA-N 297.420 3.555 0 40 CHAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)[C@@H]1CC=CCC1 69595444 NJQVQNQNQINEGI-CYBMUJFWSA-N 299.349 3.521 0 40 CHAB CCOC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 70272702 YGQIINLJVCZCSG-UHFFFAOYSA-N 289.306 3.864 0 40 CHAB CCCCN1CCC[C@H]1c1cccnc1NCCC 72213140 QMZAOKKRICTAQZ-HNNXBMFYSA-N 261.413 3.841 0 40 CHAB CCCCN1CCCC[C@H]1c1cccnc1S 72217086 KHYHNSPPXWBHPO-ZDUSSCGKSA-N 250.411 3.697 0 40 CHAB CCCCN1CCC[C@H]1c1cnc(S)c(C)c1 72218266 VNMOGWIENVPLDT-ZDUSSCGKSA-N 250.411 3.616 0 40 CHAB CNc1ncc([C@@H]2CCCN2Cc2ccccc2)cc1C 72218969 WDQOWOMHHOMROT-KRWDZBQOSA-N 281.403 3.769 0 40 CHAB Cc1cc2cc(NC(=O)c3occc3C)ccc2[nH]1 72277108 BCHQGQISBJHXPJ-UHFFFAOYSA-N 254.289 3.630 0 40 CHAB CCCN1CC=C(c2nc3cc(Cl)ccc3o2)CC1 73636281 RMVJMDQEWVIYFE-UHFFFAOYSA-N 276.767 3.980 0 40 CHAB CC(C)=CCN1CCC[C@@H](c2nc3ccccc3o2)C1 75696348 FCSQUIJRUOMZJM-CQSZACIVSA-N 270.376 3.973 0 40 CHAB CCC[C@@H]1[C@@H](C)CCCN1c1nccc(C(F)(F)F)n1 79017594 RPOAMHDOVJOVHP-WDEREUQCSA-N 287.329 3.900 0 40 CHAB CCCCOc1cc(C(=O)C(F)(F)F)ccc1F 95732782 ZGAWWPUVKNWOHT-UHFFFAOYSA-N 264.218 3.750 0 40 CHAB CN(Cc1ccc(Cl)nc1)Cc1ncc(C(C)(C)C)o1 96444944 UVLCGQNCCCXZOR-UHFFFAOYSA-N 293.798 3.653 0 40 CHAB CCn1c([C@H](C)NC(=O)/C=C(\C)C2CC2)nc2ccccc21 98055490 UPGPOAJLPIJCGA-YLSINNKHSA-N 297.402 3.590 0 40 CHAB c1cncc(COc2ccccc2-c2nccs2)c1 193709432 FJLRNRUHNPRHMN-UHFFFAOYSA-N 268.341 3.784 0 40 CHAB Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1C 225640619 LJTRNDLBJJZLJN-LZWOXQAQSA-N 257.377 3.530 0 40 CHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(Cl)c1 225694955 SLQNOFHLLPZXMZ-HNNXBMFYSA-N 299.798 3.882 0 40 CHAB CCOC(=N)c1ccc(Cl)c(C(F)(F)F)c1 228966880 AKJZYOLBQGKCTQ-UHFFFAOYSA-N 251.635 3.721 0 40 CHAB C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@H]1CCC2=O)CC(=O)CC4 253618123 RORYLAUXKSWMQL-KONPQCLYSA-N 272.388 3.841 0 40 CHAB CC1=CC(C)(C)N([C@H](C(=O)O)C(C)C)c2ccc(F)cc21 260624967 XBXBTQCGQJWJAT-HNNXBMFYSA-N 291.366 3.937 0 40 CHAB CCCN(c1ccc(Cl)cc1C)[C@H](CC)C(=O)O 260680936 YPHFIFVFEGBYTN-GFCCVEGCSA-N 269.772 3.728 0 40 CHAB CCCCOCc1nn(CCCC)cc1Br 408715802 DXEGPZIXERMZCZ-UHFFFAOYSA-N 289.217 3.762 0 40 CHAB O=C1O[C@H](Nc2ccc(F)c(Cl)c2)c2ccccc21 91732 NBAXWLCBUCRAOB-ZDUSSCGKSA-N 277.682 3.760 0 40 CHAB CC(C)(C)c1ccc(O)c(C(=O)c2ccccc2)c1 136135 IAAWULFRQOKLJI-UHFFFAOYSA-N 254.329 3.921 0 40 CHAB O=C(c1ccc2ccccc2c1)c1cccc(F)c1C(=O)O 1632844 IZZWXQCIMVPLIK-UHFFFAOYSA-N 294.281 3.908 0 40 CHAB C[C@H](Cc1ccco1)NC(=O)N1CCC[C@@H]1c1ccccc1 79416707 CXEJEOCPRYVFGU-RHSMWYFYSA-N 298.386 3.757 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccc(C)c(C)c1 6329293 DKYJNJJBJWSKLG-GFCCVEGCSA-N 250.411 3.778 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccccc2)cc1OC 6415418 HXFVGNNJBRGPDH-UHFFFAOYSA-N 285.343 3.736 0 40 CHAB CCCN1C(=O)S/C(=C/c2ccc(C)s2)C1=O 6657398 LQJLHXRSFMWDTC-JXMROGBWSA-N 267.375 3.503 0 40 CHAB Fc1ccc(NC(=S)N2CCCCCCC2)cc1 7527171 XFBMZMBVPLJGPE-UHFFFAOYSA-N 266.385 3.789 0 40 CHAB Fc1ccc(Oc2ncnc3ccsc23)cc1F 24717172 FTJHBBUTFSZBQP-UHFFFAOYSA-N 264.256 3.762 0 40 CHAB CCOc1ccccc1CCCNC(=O)c1ccccc1C 10110845 URODXRLVUSSTHC-UHFFFAOYSA-N 297.398 3.756 0 40 CHAB Cc1nc(Sc2ccc(F)cc2)nc2c1CCC2 1394122 JCUYJDGOZNYEDI-UHFFFAOYSA-N 260.337 3.564 0 40 CHAB Cc1ccccc1CSc1nnc(Cc2ccccc2)[nH]1 10475591 PVHASHRHQGVRKQ-UHFFFAOYSA-N 295.411 3.996 0 40 CHAB CCOC(=O)Nc1sc(N)nc1-c1ccc(Cl)cc1 26770631 WIXYCIXZXHZZEF-UHFFFAOYSA-N 297.767 3.614 0 40 CHAB Cc1nc(Cc2nc(-c3cccn3C)cs2)cs1 26981790 UEHVIWLNHQNRBJ-UHFFFAOYSA-N 275.402 3.504 0 40 CHAB C[C@@H](NC(=O)c1ccc[nH]c1=S)c1ccc(F)c(F)c1 10215618 JONGERPNRIPTDK-MRVPVSSYSA-N 294.326 3.513 0 40 CHAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1 20296843 LQSUDQVTJDIKAO-AWEZNQCLSA-N 298.386 3.751 0 40 CHAB C[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 2127295 IVIVSROIBJFEGA-SECBINFHSA-N 265.765 3.893 0 40 CHAB Cc1ccc(C)c(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1 20488815 POJBFWNWQYPWBY-UHFFFAOYSA-N 297.442 3.931 0 40 CHAB CC(C)[C@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 57160111 MSJBBPZPROUOTO-WDEREUQCSA-N 285.840 3.981 0 40 CHAB CCCn1nccc1C(=O)Nc1ccc(Cl)c(Cl)c1 28242611 DKQGUXRNPZRCHD-UHFFFAOYSA-N 298.173 3.852 0 40 CHAB CSCc1cccc(C(=O)Nc2ccccc2O)c1 9217530 WYTDOEYLCOWGSR-UHFFFAOYSA-N 273.357 3.508 0 40 CHAB CC(=O)c1cccc(NC(=S)N2CCc3ccccc32)c1 13838844 IJOXGJILGLJTLE-UHFFFAOYSA-N 296.395 3.649 0 40 CHAB Cc1ccc(NC(=O)c2cnc3ccccc3n2)cc1Cl 5424762 XNSJKCMXGPIXJR-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB CCOc1ccccc1C[C@@H]1C(=O)N(CC)c2ccccc21 15018222 PUXVNXIOMOGBLG-INIZCTEOSA-N 295.382 3.778 0 40 CHAB Cc1ccc2nc(SCC(=O)c3ccccc3)[nH]c2c1 5818411 RJKFNJRDOCCWCN-UHFFFAOYSA-N 282.368 3.846 0 40 CHAB CC(=O)Nc1cccc(C(=O)Nc2cc(C)ccc2C)c1 9479270 XYUVOHJEKAAXSV-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)s1 171646462 FCCZZNRGNPJVJO-NSHDSACASA-N 292.429 3.533 0 40 CHAB CN(CC(=O)Nc1ccccc1)[C@H]1CCCc2ccccc21 8126540 GKVXONUENRJLRG-SFHVURJKSA-N 294.398 3.635 0 40 CHAB COCCNC(=O)Nc1ccc(SC(C)(C)C)cc1C 69900592 FRTYMSGZXNMCNS-UHFFFAOYSA-N 296.436 3.654 0 40 CHAB O=C(OCc1ccsc1)c1ccc(-c2ccncc2)o1 89799891 WDTGINYQVDMSKD-UHFFFAOYSA-N 285.324 3.760 0 40 CHAB Cc1ccc(C(=O)NCCCSc2ccc(F)cc2)o1 24729403 UTRYXLUUQZEMNU-UHFFFAOYSA-N 293.363 3.639 0 40 CHAB S=C(NCc1ccccc1)Nc1ccc2ncccc2c1 408586810 RGZKRRXDDUHYTE-UHFFFAOYSA-N 293.395 3.721 0 40 CHAB Cc1ccc(NC(=O)c2c(C)[nH]c(C)c2C)c(C)c1 55104148 WDTAVKKMCZGNLP-UHFFFAOYSA-N 256.349 3.809 0 40 CHAB CC[C@@H](Nc1cc(C)nc2ncnn12)c1cc(C)ccc1C 528225340 WUGXCRVUNAZUTI-OAHLLOKOSA-N 295.390 3.613 0 40 CHAB S=C(c1ccc(Cl)cc1Cl)N1CCCC1 409373154 RBWXHWKOKUMGNG-UHFFFAOYSA-N 260.189 3.765 0 40 CHAB CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)CC1 35570728 YJTHFKMWAUAXDX-UHFFFAOYSA-N 275.392 3.876 0 40 CHAB O[C@@H](c1ccccc1)[C@@H](Nc1ccccn1)c1ccccc1 31672788 CMOPYVABRRLFCM-OALUTQOASA-N 290.366 3.968 0 40 CHAB C[C@@H](CC(F)(F)F)Nc1ccc(N2CCCC2=O)cc1 129299817 KASCZQPCQOAEPW-JTQLQIEISA-N 286.297 3.566 0 40 CHAB CCCOc1cccc(CNc2cccc(C(=O)O)c2)c1 37977931 IHCNXUZZMGNOCM-UHFFFAOYSA-N 285.343 3.786 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2c(C)cc(N)cc2C)c1 45890150 RGPDEAYTJVBIHK-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB COc1cccc(CNc2cccc(-c3ncc(C)o3)c2)n1 225387277 UMVZWNSMMNFCRV-UHFFFAOYSA-N 295.342 3.666 0 40 CHAB Cc1ccc(CN(C)C(=O)NCCc2ccccc2)c(C)c1 17115854 AGDCKJSGZNOVLM-UHFFFAOYSA-N 296.414 3.688 0 40 CHAB Cc1ccnc(NC(=S)N[C@H]2CCCc3ccccc32)c1 225462822 IRZZKCAJYHGGNF-HNNXBMFYSA-N 297.427 3.754 0 40 CHAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(C)cc1 226260587 YHUNAGQRCVYYRC-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB O=C(Cc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618256874 NLJDERQXUULTFM-IRXDYDNUSA-N 285.362 3.612 0 40 CHAB CC[C@H]1CCc2c(sc(N)c2C(=O)OC(C)(C)C)C1 96034599 SDVPPAZEQURUSD-VIFPVBQESA-N 281.421 3.801 0 40 CHAB CN(C)CC(F)(F)Sc1ccccc1Br 256055161 ZMKYZXQGDAMTGP-UHFFFAOYSA-N 296.180 3.696 0 40 CHAB Cc1ccccc1CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 29278783 LWQXVHRYNPIHIN-UHFFFAOYSA-N 291.354 3.566 0 40 CHAB CCc1c(C2CC2)[nH]c2c(Br)cccc2c1=O 685938694 RPOTXQBESDTXEE-UHFFFAOYSA-N 292.176 3.730 0 40 CHAB Cc1ccc(F)c(NC(=O)c2cccc(-n3ccnc3)c2)c1 71910355 DVTQTFFMIMVLJB-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB Clc1ccc(-n2cnc(Br)c2)cc1Cl 952959258 MBYBXOVNINBFIQ-UHFFFAOYSA-N 291.963 3.942 0 40 CHAB Cc1cc(Br)ccc1NC(=O)NC1CCCC1 40091420 JJENNDSQGMVTGE-UHFFFAOYSA-N 297.196 3.822 0 40 CHAB CC(=O)c1ccc(OC(F)(F)F)c(C(F)(F)F)c1 169796909 ZFWTZTGMCDRMBL-UHFFFAOYSA-N 272.144 3.807 0 40 CHAB CNC(=O)c1cccc(NCc2ccccc2C2CC2)c1 94518009 HROJZEQKBXFOBJ-UHFFFAOYSA-N 280.371 3.536 0 40 CHAB CC(C)N(C(=O)Oc1ccc(F)cc1F)C(C)C 98174962 OOVNUYFMZTZPLX-UHFFFAOYSA-N 257.280 3.582 0 40 CHAB CCOc1ccc(/C=C/C(=O)NCc2ccc(F)cc2)cc1 44378 DLRQGZZUNHVRIK-KPKJPENVSA-N 299.345 3.554 0 40 CHAB COc1ccc(C[C@H]2C3=C(CCCC3)CCN2C)cc1 5766173 CRXXSGLBECOUQH-SFHVURJKSA-N 271.404 3.812 0 40 CHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)no2)cc1 11916015 QMHLLCZGTYMPEB-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB Nc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1 17023120 WWNCWGOAXAELMX-UHFFFAOYSA-N 292.791 3.653 0 40 CHAB C[C@H](NCc1cccc(O)c1)c1cccc(Cl)c1 20124299 BTUJPHUQQIAJRL-NSHDSACASA-N 261.752 3.896 0 40 CHAB CCOC(=O)c1cnc2cc(Cl)ccc2c1Cl 32500189 KWYQZEQRIMVMTH-UHFFFAOYSA-N 270.115 3.718 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 364560 NGNDZNCTHMECMB-AWEZNQCLSA-N 269.344 3.709 0 40 CHAB CC[C@@H](COc1ccccn1)NCc1ccc(Cl)cc1 41154159 YVMBBVFQOIUZLI-HNNXBMFYSA-N 290.794 3.682 0 40 CHAB Cc1cccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 32828131 BOYIAOJTCXWISS-UHFFFAOYSA-N 277.327 3.637 0 40 CHAB COc1ccc(-c2cnc(CN3CCC[C@@H](C)C3)o2)cc1 41362702 IKLSHRACBSYAMG-CYBMUJFWSA-N 286.375 3.582 0 40 CHAB O=C(c1ccccc1)c1cnc2ccc(Cl)cc2c1O 248717 GNAIZDNGZCOIKT-UHFFFAOYSA-N 283.714 3.825 0 40 CHAB c1cncc(CSc2nnc(C3CCCCC3)o2)c1 1356092 OQSVZEYOUGANOP-UHFFFAOYSA-N 275.377 3.805 0 40 CHAB COc1ccc2ccccc2c1CNCc1ccc(C)nc1 47826033 MSXBWFRUQHYNPR-UHFFFAOYSA-N 292.382 3.842 0 40 CHAB CCOC(=O)c1c(C)[nH]c2cc(C(F)(F)F)ccc12 3850362 CXQSDPLGMPEWSM-UHFFFAOYSA-N 271.238 3.672 0 40 CHAB CC1=CC[C@@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3[C@H]2C1 4026666 WWIMATJEWPNNPT-RLFYNMQTSA-N 292.382 3.580 0 40 CHAB biogenic Cc1cc2c(cc(C(=O)O)n2Cc2ccc(F)cc2)s1 4982338 REUJXQJKTQVQEP-UHFFFAOYSA-N 289.331 3.897 0 40 CHAB CCc1nnc2c(NC3CCCCC3)nc3ccccc3n12 7504163 GZQMFIUMWTVDOG-UHFFFAOYSA-N 295.390 3.585 0 40 CHAB CC1(C)[C@@H](OC(=O)c2ccccc2N)[C@]2(C)CC[C@@H]1C2 103009946 WSROWZALSNALOL-RGYTYGDFSA-N 273.376 3.640 0 40 CHAB CCOc1ccc(Br)cc1CN[C@H](C)CC 8325923 NIFRYWJSKNMIJW-SNVBAGLBSA-N 286.213 3.736 0 40 CHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 113959279 RQGPVDFFKZUGJV-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1ccc2nc(C)c(C)nc2c1 36139394 KSWVEROMHHQTCW-OAHLLOKOSA-N 297.402 3.651 0 40 CHAB CCCCO[C@@H]1C[C@@H]2c3ccccc3[C@@H]1c1cccc[n+]12 104106109 VCJVDCDMNOMMRL-GUDVDZBRSA-N 280.391 3.598 0 40 CHAB CC(C)C(NC(=O)CSCc1ccc(F)cc1)C(C)C 20486229 MKKSLXPHDBAYTP-UHFFFAOYSA-N 297.439 3.856 0 40 CHAB O=C(c1cccc(F)c1)c1cccc(CN2CCCC2)c1 2515064 RXAIYJPXQAHPSN-UHFFFAOYSA-N 283.346 3.653 0 40 CHAB CCc1ncc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)s1 65067960 ZDFVKKOZSZVGPH-JTQLQIEISA-N 290.388 3.664 0 40 CHAB Cc1cc(C)cc(NC(=O)c2c(F)cccc2F)c1 5687989 YWHAMPXOVNUNNO-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB S=C(NCCc1ccccc1)NC1CCCCCCC1 7571751 CLIYRBFZGXXUAK-UHFFFAOYSA-N 290.476 3.806 0 40 CHAB O=c1cc(O)c(-c2ccc(Cl)c(Cl)c2)c(Cl)[nH]1 15923758 ZXYWDLRGCPHISU-UHFFFAOYSA-N 290.533 3.708 0 40 CHAB C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nccs3)C2)C1 72295638 JUPZNAGDFANJDL-MCIONIFRSA-N 292.448 3.675 0 40 CHAB Cc1csc([C@@H]2CCCCN2C(=O)CCC(C)C)n1 72232452 KNIIBLHIUWXTCQ-ZDUSSCGKSA-N 280.437 3.941 0 40 CHAB CC[C@@H](C)OCc1nn(C2CCCC2)cc1Cl 408715618 XIPDJLNQSNNLKT-SNVBAGLBSA-N 256.777 3.967 0 40 CHAB CC[C@H](C)NC(=O)c1ccc(COc2ccccc2C)o1 32610787 CFMTZIMXJMVXDZ-ZDUSSCGKSA-N 287.359 3.695 0 40 CHAB O=C(c1ccco1)N1CCCC[C@@H](c2ccc(F)cc2)C1 211079277 YSMYJXZFKQVYTI-CQSZACIVSA-N 287.334 3.829 0 40 CHAB Cc1c(F)cccc1-c1ccc([C@@H]2C[C@H]2C(=O)O)o1 70452812 ZZXVOSIYQXTFMA-GHMZBOCLSA-N 260.264 3.582 0 40 CHAB COc1ccc(C(=O)c2ccc(C)cc2C)cc1F 35424010 SWQTUORPPUJTSJ-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB Cc1nnc(Cl)c2nn(-c3ccccc3Cl)c(C)c12 36646035 OLLMPNSYXMLLJZ-UHFFFAOYSA-N 293.157 3.739 0 40 CHAB Cc1cccc(CNC(=O)c2ccc(F)cc2Cl)c1 31058090 AXKLLAZVRYUNLF-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB CCOc1ccc(NC(=O)C2(OC)CCCC2)cc1Cl 225627596 LOYUWZVMPUHFMP-UHFFFAOYSA-N 297.782 3.636 0 40 CHAB CNc1ccc(NC(=O)c2cc3ccccc3o2)cc1 226285786 KWACMRMVGLGZGE-UHFFFAOYSA-N 266.300 3.727 0 40 CHAB CC(C)[C@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 225211293 ZKHITRSMXPUVRD-KBPBESRZSA-N 285.387 3.768 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 45204754 IGGVVPUTYUSMEG-LIFKJRKOSA-N 275.436 3.898 0 40 CHAB Cc1nc(C(=O)N2C[C@H](C)Sc3ccccc32)cs1 88223100 ZOPNRRJAYYUWEQ-VIFPVBQESA-N 290.413 3.593 0 40 CHAB C[C@H]1CC=CC[C@@H]1COC(=O)CSC(C)(C)C 97044007 SIIRQAUZUOXXTO-NWDGAFQWSA-N 256.411 3.664 0 40 CHAB CC(C)=CCC[C@H](C)N[C@@H]1CCO[C@]2(CCSC2)C1 90542088 HXNWWUFIHQQJDH-ARFHVFGLSA-N 283.481 3.766 0 40 CHAB C[C@@H]1CCCN(c2ccc(Br)c(F)c2)C1 95915903 QXFCUSRXLPFPQB-SECBINFHSA-N 272.161 3.825 0 40 CHAB COc1ccc(-c2nc3ccccc3o2)c(OC)c1 59502814 QZZFGEIVKPKQPR-UHFFFAOYSA-N 255.273 3.512 0 40 CHAB CC(C)(C)c1cc(N)n(-c2ccc(F)c(Cl)c2)n1 4243159 DCHMROCQYRCPHA-UHFFFAOYSA-N 267.735 3.545 0 40 CHAB C[C@H]1CC[C@@H]2C(C)(C)CCC[C@@]23OC(=O)C[C@]13C 5533768 NPYXMBXYLOPZQU-UAXWRAGISA-N 250.382 3.935 0 40 CHAB Cc1cccc(CSCCNC(=O)C2CCCCC2)c1 13716910 PEBDAZIWNXXKLA-UHFFFAOYSA-N 291.460 3.925 0 40 CHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCCCC1 19934642 GTCCWXVFOYAUAW-HNNXBMFYSA-N 295.810 3.900 0 40 CHAB CCSc1nnc(Nc2ccccc2C)s1 3536496 OKAZOCNXRWECLO-UHFFFAOYSA-N 251.380 3.702 0 40 CHAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2)cc1 439336 YVVXAVCBCZBHFL-ZDUSSCGKSA-N 269.344 3.576 0 40 CHAB Cc1cc(C)c2nc(N3CC[C@@H](CF)C3)sc2c1 1640330366 PUUZTDCRXGMWGO-NSHDSACASA-N 264.369 3.709 0 40 CHAB CC(C)CCN1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@H]1C 86267 NRNKPUIJZXENIG-JFIYKMOQSA-N 275.436 3.651 0 40 CHAB O=C(Cc1ccccc1)c1ccccc1OC(F)F 38127025 QZOCKHAGISRZTK-UHFFFAOYSA-N 262.255 3.713 0 40 CHAB Oc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1 18067320 XWIOVBFOMIECGL-UHFFFAOYSA-N 286.718 3.808 0 40 CHAB COc1ccc(OCCNc2cc(C)ccc2OC)cc1 40005392 IFXQSKIZKJTCJD-UHFFFAOYSA-N 287.359 3.503 0 40 CHAB Cc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1 198419 ZQCKHZYYTPVCSB-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB O=C(Cc1ccccc1F)Nc1cccc2cccnc12 363543 IUAZEPQNMNADIM-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)C)c1 569303 PCRJUYSCLRIPQS-UHFFFAOYSA-N 282.771 3.673 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)N[C@H](C)CCc1ccccc1 32862681 AIKXPJVPZKTPHM-ZMSDIMECSA-N 288.435 3.886 0 40 CHAB Cc1ccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)cc1 27939 LAMOELIFPBPXFK-BDKUJZOCSA-N 289.334 3.896 0 40 CHAB Cc1nc(Cl)sc1C(=O)Nc1cc(F)cc(F)c1 385258 HHDSRGJTDYYOJH-UHFFFAOYSA-N 288.706 3.635 0 40 CHAB CCOc1ncccc1C(=O)Nc1cccc2ccccc12 430436 XNZIIMOLPFUFLH-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB Cc1cc(Cl)ccc1OCC(=O)Oc1ccccc1 510927 ZBFAPFOWNGEORW-UHFFFAOYSA-N 276.719 3.633 0 40 CHAB COC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 523382 YZJXDVZBPGKQJD-UHFFFAOYSA-N 288.343 3.943 0 40 CHAB CCN(CC)CCNc1ccc(Cl)cc1Cl 1683211 WAEJYDLFFMBWPU-UHFFFAOYSA-N 261.196 3.747 0 40 CHAB CC(C)OC(=O)c1ccccc1NC(=O)c1ccccc1 3153482 YLNOMXNRDSLRNA-UHFFFAOYSA-N 283.327 3.504 0 40 CHAB CC(C)c1ccc(Nc2nnc(S)s2)cc1 3243420 JIXKQGPKUYDYPH-UHFFFAOYSA-N 251.380 3.694 0 40 CHAB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=O 3280858 XNKFNEYDDWWPOK-UHFFFAOYSA-N 296.301 3.925 0 40 CHAB CCSc1nnc(Nc2ccccc2F)s1 3377020 AMDGYTBZEJVWMZ-UHFFFAOYSA-N 255.343 3.533 0 40 CHAB CCCCOc1cccc(C(=O)Nc2cccc(C)n2)c1 3904026 SCCFVCLXYFOQBP-UHFFFAOYSA-N 284.359 3.821 0 40 CHAB O=C1NN/C(=C\c2cccc3ccccc23)c2ccccc21 5532677 NLVMSTJAEJKILX-PDGQHHTCSA-N 286.334 3.586 0 40 CHAB COc1ccccc1NC(=O)c1ccccc1OC(F)F 5662173 CLVANYVAIGLADT-UHFFFAOYSA-N 293.269 3.549 0 40 CHAB Cc1ccc2c(c1)C[C@]1(C2)Cc2ccc(C)cc2C1=O 6488396 JFUNQSZGTSZUHR-IBGZPJMESA-N 262.352 3.827 0 40 CHAB O=C(Cc1cccc(F)c1)N[C@H]1CCCc2ccccc21 7263969 HHUJMGHEYAKSJH-KRWDZBQOSA-N 283.346 3.562 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cnn(-c3ccccc3)c2)c1 14795283 DTDSPUWUGVKLBH-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB CCC1CCC(NC(=S)NCc2ccc(F)cc2)CC1 17023604 BKBSKBBYHFBCFV-UHFFFAOYSA-N 294.439 3.759 0 40 CHAB CCCCn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 17945421 FQHRFCAVNFPVQV-UHFFFAOYSA-N 294.445 3.799 0 40 CHAB CCc1ccc(C(=O)NCCC2=CCCCC2)cc1 19897685 UBUIJVOJWVQCDQ-UHFFFAOYSA-N 257.377 3.869 0 40 CHAB O=C(Cc1cccc(F)c1)NC1CCCCCCC1 19934970 GNTFQHULYCBISV-UHFFFAOYSA-N 263.356 3.597 0 40 CHAB CC(C)COc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 20244028 IEGPGUHATLMODP-KRWDZBQOSA-N 296.370 3.576 0 40 CHAB CC(C)COc1ccccc1[C@H]1CC(O)=Nc2n[nH]cc21 20745846 NCSQLYBICHUTDK-GFCCVEGCSA-N 285.347 3.568 0 40 CHAB CCCCC[C@H](C)NC(=O)Nc1ccc(OC)cc1 24689076 IIJXHSYGICDMEW-LBPRGKRZSA-N 264.369 3.786 0 40 CHAB Cc1ccc2sc(NCc3ccccn3)nc2c1C 26422482 ZPWKBTPUSCKGOK-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB Cc1ccc(N2C(=O)OC[C@@H]2Cc2ccccc2)cc1 26896865 AWOBTOUFDVDECO-INIZCTEOSA-N 267.328 3.563 0 40 CHAB O=C(NCCc1ccc2ccccc2c1)C1CCCC1 27677818 UJHNSMKYPDYCLG-UHFFFAOYSA-N 267.372 3.689 0 40 CHAB C[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 28210561 ZSCSDSREPOYTKF-VIFPVBQESA-N 279.261 3.595 0 40 CHAB Cc1ccc(NC(=O)c2ccc(F)c(F)c2F)c(C)c1 28210572 MGMQHPBJSZDWCU-UHFFFAOYSA-N 279.261 3.973 0 40 CHAB COCc1cccc(NC(=O)Cc2ccccc2Cl)c1 29145989 QBXCRGGCMINTGY-UHFFFAOYSA-N 289.762 3.668 0 40 CHAB Clc1ccc([C@H]2OCCN2Cc2ccccc2)cc1 31659667 JFQQAIRAKHNKRI-MRXNPFEDSA-N 273.763 3.871 0 40 CHAB c1cncc(CSc2cccc3cccnc23)c1 32761075 DLWRMPQTHMXHJT-UHFFFAOYSA-N 252.342 3.922 0 40 CHAB CC(=O)Nc1ccc(NCc2ccccc2C)cc1C 35229844 JSPRFGYOWSNUIC-UHFFFAOYSA-N 268.360 3.874 0 40 CHAB COCOc1ccc2nc(-c3ccc(N)cc3)sc2c1 36429829 HFTAHZZDWXVEAC-UHFFFAOYSA-N 286.356 3.528 0 40 CHAB CCCN(Cc1ccccc1)C(=O)c1ccoc1C 39978487 BPUVZIPOLMQDJV-UHFFFAOYSA-N 257.333 3.640 0 40 CHAB CC(C)[C@@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 39985618 ANKACNPMXRAYMJ-LJQANCHMSA-N 297.398 3.945 0 40 CHAB Cc1csc(-c2ccc(Br)cc2)n1 41324123 JWPPULWIUDRDKB-UHFFFAOYSA-N 254.152 3.881 0 40 CHAB CC(=O)c1cccc(NCc2nc(-c3ccsc3)no2)c1 58180310 NOXHKVUHTRLHMR-UHFFFAOYSA-N 299.355 3.613 0 40 CHAB c1csc(-c2cc3c(N4CCCCCC4)nccn3n2)c1 67285205 HMFPFXPYNNVJAU-UHFFFAOYSA-N 298.415 3.838 0 40 CHAB Cc1cc(CSC2=NCCS2)c2ccccc2n1 71910327 PUKMAGCTKFGPFN-UHFFFAOYSA-N 274.414 3.879 0 40 CHAB CCCCc1ccc(-c2cc(C(=O)OCC)n[nH]2)cc1 71978737 MKIHUWSVTFIADA-UHFFFAOYSA-N 272.348 3.596 0 40 CHAB CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72348569 AVNFRMNLXUIGIJ-HNNXBMFYSA-N 284.378 3.621 0 40 CHAB CC(C)(C)CN(CCCO)c1nc2ccccc2s1 84169832 UFZXACVVTHAOOV-UHFFFAOYSA-N 278.421 3.531 0 40 CHAB O=C(c1cccc2cc[nH]c12)N(CC1CC1)CC(F)(F)F 84493679 IQSZGXXSGZWFAK-UHFFFAOYSA-N 296.292 3.582 0 40 CHAB CC(C)CCC(=O)N[C@H]1C[C@H]1c1ccccc1Cl 84510132 KMVLOOXXHJYPCY-JSGCOSHPSA-N 265.784 3.748 0 40 CHAB C[C@H](c1ccccc1)N1CCN(C)c2ccccc2C1 84656501 JPNZJIZHVVWEDW-OAHLLOKOSA-N 266.388 3.700 0 40 CHAB CC[C@H](C)Oc1c(C)cc(-c2noc([C@H](C)N)n2)cc1C 95095355 HIWLJFGIBQNAPU-RYUDHWBXSA-N 289.379 3.550 0 40 CHAB Cc1csc(CNc2cccc(Oc3ncccn3)c2)n1 95428675 KOQKLWGIZYVPRC-UHFFFAOYSA-N 298.371 3.646 0 40 CHAB Cc1noc2c1[C@@H](c1cccnc1)C1=C(O)CCCC1=N2 102734227 YHZJWKKBMWYNJF-CQSZACIVSA-N 281.315 3.592 0 40 CHAB CCC(CC)c1nnc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)s1 102938408 PVNYSVQDPSWGBM-DLOVCJGASA-N 291.420 3.592 0 40 CHAB Cc1cc(C)c(C)c(OCC(=O)NCC2CCCCC2)c1 104637796 CIEXOIFLTRLRIL-UHFFFAOYSA-N 289.419 3.687 0 40 CHAB CC(C)Oc1ccc(C(=O)NCCSC(C)(C)C)cc1 113945460 ALOYQSATDCFHGT-UHFFFAOYSA-N 295.448 3.735 0 40 CHAB Cc1cccc(C)c1OC[C@H](C)NC(=O)OC(C)(C)C 165331929 CDMSVSKVLSAQQB-ZDUSSCGKSA-N 279.380 3.595 0 40 CHAB Cc1ccccc1C(=O)n1c(C)c(C(=O)O)c2ccccc21 216949778 GKDCHDPJDMQLHI-UHFFFAOYSA-N 293.322 3.645 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)nc(C)n3C)c1 225893671 HIIAODFIAIGAGW-UHFFFAOYSA-N 293.370 3.751 0 40 CHAB COc1ccc(CNCc2cn(C3CCCC3)nc2C)cc1 256053214 QNQBSMUHSZZNHH-UHFFFAOYSA-N 299.418 3.605 0 40 CHAB C[C@@H](C(=O)O)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260616286 HQKPWHIZXTUCIB-ZJUUUORDSA-N 281.783 3.905 0 40 CHAB CNc1ccc(Cl)cc1[C@@H]1NCCc2ccccc21 56534 XRUIERQCHYNNEP-MRXNPFEDSA-N 272.779 3.617 0 40 CHAB biogenic CCCn1c(-c2ccco2)nc2nc3ccccc3nc21 534871 IKMZPWOMCZWGKD-UHFFFAOYSA-N 278.315 3.650 0 40 CHAB COc1ccc(NC(=O)/C=C/c2ccco2)cc1Cl 574579 ZDCRQAJZRYHVCB-FNORWQNLSA-N 277.707 3.594 0 40 CHAB O=C(Cn1ccc2ccccc21)Nc1ccc(Cl)cc1 581675 LOZABMDDXNXCNB-UHFFFAOYSA-N 284.746 3.933 0 40 CHAB CSc1nc(Cl)c2c(n1)N(C1CCCCC1)CC2 1495554 MQNDLMBKYMITMR-UHFFFAOYSA-N 283.828 3.547 0 40 CHAB COc1ccc2c(c1)CS[C@@H](c1ccccc1)[C@@H]2O 1562474 KKWNEWBJLXSFCB-CVEARBPZSA-N 272.369 3.717 0 40 CHAB CCCCOC(=O)c1cccc(NC(=O)C(C)(C)C)c1 1807995 ZCVPFCSAEBTMGF-UHFFFAOYSA-N 277.364 3.628 0 40 CHAB Cc1ccc(/C=C/C(=O)N(C)c2ccccc2)cc1 2136341 PHEWIXXLXTZFSS-OUKQBFOZSA-N 251.329 3.671 0 40 CHAB CC(C)Oc1ccc(C(=O)CCCCCC(=O)O)cc1 2579984 UNBIRWQBXQPCCP-UHFFFAOYSA-N 278.348 3.692 0 40 CHAB Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)ns1 2889429 HVBWCLOTVHKIIU-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CN(C)C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1 3172192 ANDVCSYZBRZFJU-ZFWWWQNUSA-N 295.810 3.617 0 40 CHAB CCc1cccc(C)c1NC(=O)CNc1ccccc1C 3340190 FDKMCFLNMJEECZ-UHFFFAOYSA-N 282.387 3.916 0 40 CHAB c1nc(Nc2ccc3c(c2)CCC3)c2ccsc2n1 3344354 HTNZAZMYAHCLKN-UHFFFAOYSA-N 267.357 3.924 0 40 CHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccncc1 3367089 MUHPMCQYEURIIR-UHFFFAOYSA-N 298.676 3.589 0 40 CHAB Cc1cc2cc(CNC(=O)c3ccc(F)cc3)ccc2n1C 4061505 ICXPYPOMCQUCIG-UHFFFAOYSA-N 296.345 3.556 0 40 CHAB CCOc1ccccc1CN(CC)Cc1ccncc1 4676949 BNOHDTZMXUJXLM-UHFFFAOYSA-N 270.376 3.502 0 40 CHAB Nc1cc2c(cc1Cl)-c1ccc(Cl)cc1[C@@H]2O 4913647 NFHDBFRHGMAWGQ-ZDUSSCGKSA-N 266.127 3.638 0 40 CHAB Cc1c(CCNC(=O)c2cccs2)c2ccccc2n1C 5274214 VYOQKBYBLNAFLP-UHFFFAOYSA-N 298.411 3.521 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1c[nH]c2ccccc12 5299879 SPRIUNZPZBWWKA-YPMHNXCESA-N 271.364 3.868 0 40 CHAB CCN(C(=S)NCCc1ccccc1)c1ccccc1C 5701030 DUFKMEFSEJDITO-UHFFFAOYSA-N 298.455 3.939 0 40 CHAB COc1ccccc1-n1c(-c2ccccc2)n[nH]c1=S 6533685 QTSQIUPTVQTDLD-UHFFFAOYSA-N 283.356 3.605 0 40 CHAB Cc1c(C(=O)NC(C)(C)C)oc2c(Cl)cccc12 6602236 CPRAURMVLQRBMG-UHFFFAOYSA-N 265.740 3.923 0 40 CHAB Cc1nc(CC(=O)Nc2cc(Cl)ccc2C)cs1 6767557 QPVGYNVPHIULLW-UHFFFAOYSA-N 280.780 3.595 0 40 CHAB COc1ccc(NC(=O)c2ccc(Cl)o2)cc1Cl 8983906 BXBXJEVBQYWLRM-UHFFFAOYSA-N 286.114 3.847 0 40 CHAB Nc1ccccc1C1CCN(CCc2ccccc2)CC1 12647942 BOQIXJJMWCIXRD-UHFFFAOYSA-N 280.415 3.691 0 40 CHAB Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccsc1 12739566 WGRDYZIWKFIWFO-ZDUSSCGKSA-N 288.416 3.516 0 40 CHAB Cc1cccc(NC(=O)NCc2ccccc2C)c1 12939410 WZCPKBMOFDNSQY-UHFFFAOYSA-N 254.333 3.625 0 40 CHAB Cc1ccc2c(-c3csc(N)n3)c(C)n(C)c2c1 12971102 OKNOCYPYXQZOHU-UHFFFAOYSA-N 257.362 3.501 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(O)c(Cl)c1 12998652 RUGHCVUYHHEDEY-UHFFFAOYSA-N 275.735 3.860 0 40 CHAB Cc1ccc(CC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 14165806 FFVBWYNABZJCFT-UHFFFAOYSA-N 297.442 3.870 0 40 CHAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(F)cc1F 14573825 ZXZPITWKLJKBNN-SNVBAGLBSA-N 293.288 3.524 0 40 CHAB O=C(Nc1ccncc1)Nc1cccc(C(F)(F)F)c1 15952085 HZNWQUICJFQIHM-UHFFFAOYSA-N 281.237 3.744 0 40 CHAB Cc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1 19936966 QDDVOQYSVVLYNE-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(N)=S 20158814 QBMZIRBGTZWRHW-UHFFFAOYSA-N 299.424 3.927 0 40 CHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C)c1 20489640 LYIDSPDQDRJUBZ-MRXNPFEDSA-N 287.334 3.930 0 40 CHAB O=C(O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 21814208 UQJALKVLLYUWIN-UHFFFAOYSA-N 266.655 3.970 0 40 CHAB in-vitro Fc1ccccc1-c1noc(-c2cccnc2Cl)n1 22120324 UEVPIOONGITMGF-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB O=C(Nc1cccnc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 32841239 KWOJUBGEMIQKQS-MGPQQGTHSA-N 273.380 3.562 0 40 CHAB CCC[C@@H](NC1CCN(C)CC1)c1ccc(Cl)cc1 37267029 AKFHRIIXPAGLDO-MRXNPFEDSA-N 280.843 3.865 0 40 CHAB CC1CCN([C@@H](CN)c2ccc(Cl)c(Cl)c2)CC1 39142596 GLMIRNAVPZGQJZ-AWEZNQCLSA-N 287.234 3.725 0 40 CHAB Cc1ccc(C(=O)Nc2ccnn2C2CCCC2)s1 39978500 OCOODVDIYMXYBJ-UHFFFAOYSA-N 275.377 3.620 0 40 CHAB CCOc1ccc([C@@H](O)c2ccccc2Cl)cc1 40244579 OKWLYLGPWKFWIM-OAHLLOKOSA-N 262.736 3.820 0 40 CHAB CC[C@H](C)n1c(CCCO)nc2cc(Cl)ccc21 40407673 ZEAMABWLUNTWIB-JTQLQIEISA-N 266.772 3.586 0 40 CHAB O=C1CCCCc2c1[nH]c1ccc(Br)cc21 44628758 YTJCIVOFNSPMGX-UHFFFAOYSA-N 278.149 3.840 0 40 CHAB Cc1ccncc1-c1ccc(Br)cc1F 45028368 YUQKZQGMOWQVGB-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)cn1 48332589 JKKGVAOZZIGYFE-AWEZNQCLSA-N 298.386 3.668 0 40 CHAB Cc1c(N)cccc1-c1nc(-c2ccccc2Cl)no1 61857382 ZXIAZORZUFOKAQ-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB Fc1ccc(OCCOc2ccc3ncccc3c2)cc1 65206084 LUBRWHATIBMMHK-UHFFFAOYSA-N 283.302 3.832 0 40 CHAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCCN1CC 72213422 XBZOOGRKJNEXNL-ZFWWWQNUSA-N 261.413 3.839 0 40 CHAB Cc1cc(C(C)(C)C)c(O)c(C)c1Cc1ncc[nH]1 77286648 KDWBYTYXTYYVEX-UHFFFAOYSA-N 258.365 3.620 0 40 CHAB in-vitro Cc1csc(C(C)(C)NC(=O)CCC(C)(C)C)n1 78133470 ZQANWCDQMGZASQ-UHFFFAOYSA-N 268.426 3.629 0 40 CHAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccccc1 90624319 QPFHZDYVAWHZRB-KRWDZBQOSA-N 290.366 3.975 0 40 CHAB FC(F)(F)Cc1ccc(OCc2ccccc2)nc1 91362235 AOWIRUADXSQTDM-UHFFFAOYSA-N 267.250 3.765 0 40 CHAB Clc1ccc2c(c1)N[C@@H](c1cccs1)CO2 96531206 QCZPNDFKRXHFPD-SNVBAGLBSA-N 251.738 3.947 0 40 CHAB COCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 112355633 NDQIOOFYMCVZGG-UHFFFAOYSA-N 287.325 3.564 0 40 CHAB COC(=O)[C@@H](C)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223193688 FKQNIGZYANUMSA-QWHCGFSZSA-N 275.392 3.649 0 40 CHAB CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccccc1 225390907 YLDVFOPLTGSAPF-OAHLLOKOSA-N 287.334 3.715 0 40 CHAB Cc1ccc(C)c(NC(=O)COc2ccc(C)c(C)c2)c1 44482 PMFDWZZGPXHDQZ-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CCc1ccccc1NC(=O)c1cc(OC)cc(OC)c1 362006 VYSYAYFVJROJGP-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB CCOc1ccc(-c2nnc(-c3cccs3)o2)cc1 422638 MURZVQLEDFUGIZ-UHFFFAOYSA-N 272.329 3.864 0 40 CHAB O=C(CC[C@@H]1CCCC1=O)c1ccc(Br)cc1 535047 LZNNCLWEKVJGIS-JTQLQIEISA-N 295.176 3.781 0 40 CHAB CCN(CC)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 1671248 AJVAWAZHINELBV-OALUTQOASA-N 283.415 3.846 0 40 CHAB O=C(O[C@@H]1c2cccc3cccc(c23)[C@@H]1O)c1ccccc1 1716941 XLGWYZRUVUWDAY-ZWKOTPCHSA-N 290.318 3.785 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(Cl)cc1Cl 2580339 VKNMRSCENRBGER-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB Cc1cccc(NC(=O)OC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 3096544 QTRXSYUOGXUBRH-RDBSUJKOSA-N 257.333 3.756 0 40 CHAB CCN(CC)C(=O)c1cc(-c2ccco2)nc2ccccc12 3254723 CZXYEDKXAYMIOK-UHFFFAOYSA-N 294.354 3.977 0 40 CHAB Cc1ccccc1CSCC(=O)Nc1ccccc1 3601211 LKJUPVSBLPFGOZ-UHFFFAOYSA-N 271.385 3.867 0 40 CHAB CCCCN(C)Cc1cn[nH]c1-c1ccc(C)c(C)c1 4678764 ZZCXGZGHTVNSHV-UHFFFAOYSA-N 271.408 3.925 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc(OC)cc1OC 5471721 BADWXVLGLHRJQG-UHFFFAOYSA-N 299.370 3.827 0 40 CHAB Cc1cc(O)c(NC(=O)c2ccc(Cl)cc2)cc1C 5697580 DXOYJPMYNIFGSO-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB CN(C)C(=O)O[C@H](c1ccc(Cl)cc1)c1ccccn1 5848425 CBDAMVRHOONCRX-CQSZACIVSA-N 290.750 3.523 0 40 CHAB OCCCn1c(SC2CCCCC2)nc2ccccc21 5900274 JQYQHCXRNQTWOH-UHFFFAOYSA-N 290.432 3.844 0 40 CHAB O=C(NCCc1ccccc1)c1cc2c(s1)CCCCC2 7609104 HURXKZAWVOWSTC-UHFFFAOYSA-N 299.439 3.990 0 40 CHAB COc1ccc(OC)c(NC(=O)c2ccc(Cl)s2)c1 9500949 POWOMSLVDJWLMV-UHFFFAOYSA-N 297.763 3.671 0 40 CHAB CC(C)(C)c1ncc(C(=O)Nc2c[nH]c3ccccc23)cn1 12325963 YAKOUPGYNWWODV-UHFFFAOYSA-N 294.358 3.508 0 40 CHAB O=C(Nc1nc2c(s1)CCC2)c1cc(Cl)ccc1F 13019648 MDMRLMOQKSAXIK-UHFFFAOYSA-N 296.754 3.677 0 40 CHAB O=C(O)CCCOc1ccc(Cc2ccccc2)cc1 13609140 LYXDBPSAWNRPAA-UHFFFAOYSA-N 270.328 3.521 0 40 CHAB Cc1csc(NC(=S)NCc2ccccc2)c1 14187899 ADLABTSGROESIU-UHFFFAOYSA-N 262.403 3.543 0 40 CHAB Cc1n[nH]c(SCc2csc(-c3ccsc3)n2)n1 14903164 AJSHRZPUZDGIHM-UHFFFAOYSA-N 294.430 3.590 0 40 CHAB Cc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c(C)c1 16031323 AALQDHMAEFOMPZ-INIZCTEOSA-N 295.338 3.544 0 40 CHAB CC(C)C(=O)c1c(O)c2ccccc2c2oc(=O)sc12 16574988 KYLLLZKMEDFGRD-UHFFFAOYSA-N 288.324 3.552 0 40 CHAB C/C(Nc1ccc(Cl)c(Cl)c1)=C1\CCOC1=O 17024962 OWYHQEWAZDLFMW-CLFYSBASSA-N 272.131 3.626 0 40 CHAB O=C1CS[C@H](c2ccc(Cl)cc2)N1c1nccs1 17198233 LOYOGMCUQWCCPB-LLVKDONJSA-N 296.804 3.575 0 40 CHAB O=C(Nc1ccncc1)c1ccc(-c2ccccc2F)o1 17585458 SGWFKTSKUZZKQB-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB COc1ccc2oc(-c3ccc(N)cc3Cl)nc2c1 20156621 GGQORNCAEJIOQH-UHFFFAOYSA-N 274.707 3.739 0 40 CHAB O=C(O)/C=C/c1ccccc1OCC1CCCCC1 20526569 HUYCROUFQFGRMK-ZHACJKMWSA-N 260.333 3.744 0 40 CHAB in-vitro c1ccc2oc([C@@H]3CCCN(Cc4cscn4)C3)nc2c1 29832396 AWHAMZWCBLJQTE-GFCCVEGCSA-N 299.399 3.664 0 40 CHAB CC(C)c1csc(Nc2ncnc3ccccc23)n1 31949204 QDDCTVOBJDNECU-UHFFFAOYSA-N 270.361 3.953 0 40 CHAB CN(C(=O)c1ccc(Br)s1)C1CCCC1 32842113 ZHZBETJRZJEFRR-UHFFFAOYSA-N 288.210 3.525 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1ccc(F)cc1F 36940634 ZWBBJYTUSYGQII-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB O=C(c1ccccc1F)N(Cc1cccs1)C1CC1 37983594 GDISCAKLWOFUBO-UHFFFAOYSA-N 275.348 3.692 0 40 CHAB CCOC(=O)CCCCCC(=O)c1cccc(F)c1 43214322 SDFVHHUVZLHMDI-UHFFFAOYSA-N 266.312 3.522 0 40 CHAB CCCCOc1ccc(C(=O)c2cccc(OC)n2)cc1 45028750 OHTZUITUONMYLL-UHFFFAOYSA-N 285.343 3.500 0 40 CHAB O=C(O)Cc1ncc(C(F)(F)F)cc1-c1ccccc1F 47206724 OTGUVHWGXZIQQY-UHFFFAOYSA-N 299.223 3.534 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)Nc1ccc(F)cc1F 51354093 MHBFAZYDILVAKI-UHFFFAOYSA-N 284.212 3.887 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2nnsc2Cl)o1 53426510 SBMVWOYKJXBCSA-SCZZXKLOSA-N 297.811 3.540 0 40 CHAB CC[C@@](CCN1CCCCC1)(OC)c1ccccc1 67340241 KCGUBTPOOFSLPO-KRWDZBQOSA-N 261.409 3.814 0 40 CHAB Cc1nnc([C@@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)o1 69774842 BJCNFLWICQBNJU-BMIGLBTASA-N 289.354 3.709 0 40 CHAB Cc1ccccc1C[S@@](=O)CCCc1ccccc1 69812758 RIECMOSGTKCIGN-LJQANCHMSA-N 272.413 3.877 0 40 CHAB O=CN1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 72212172 BNTFWWBUONZCQJ-MRXNPFEDSA-N 282.343 3.557 0 40 CHAB COc1ccc(OC)c([C@@H]2CCCCN2CC(C)C)c1 72221888 TVEOYQPSTBZMKH-INIZCTEOSA-N 277.408 3.887 0 40 CHAB Cc1ccc(Oc2ccc(C(=O)NC(C)C)o2)cc1 72264851 LWLXHARTLHOJMW-UHFFFAOYSA-N 259.305 3.519 0 40 CHAB Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 72331491 ITQJGGORQVPIFK-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB Cc1cc(C)c2nc(NC[C@@H]3CCCO3)sc2c1 75172860 DXEAUHURDYQICY-NSHDSACASA-N 262.378 3.504 0 40 CHAB CCc1ccc(NC(=O)c2cccc(-c3ncon3)c2)cc1 76019153 JFMWDHHDEMQXSU-UHFFFAOYSA-N 293.326 3.551 0 40 CHAB Cc1nc(Cn2ccc(-c3ccc(F)cc3)n2)cs1 76291519 GZAAIIUZWJSKQT-UHFFFAOYSA-N 273.336 3.502 0 40 CHAB C[C@H](NCC1=CCCOC1)c1ccc2ccccc2c1 89905138 IJJCDVHNYZAXLG-AWEZNQCLSA-N 267.372 3.837 0 40 CHAB C[C@H](NCc1ccnc(OCC2CC2)c1)c1cccs1 95422228 VIWFZMRNWQGUKM-LBPRGKRZSA-N 288.416 3.783 0 40 CHAB c1ccc(CCCn2ccnc2-c2ccncc2)cc1 95464709 KVPIYDXCMPYVAI-UHFFFAOYSA-N 263.344 3.578 0 40 CHAB COc1ccc(F)cc1C(=O)c1cccc(F)c1Cl 95916936 CCVAUFFZEQFDEG-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB C[C@H](N[C@@H]1c2ccccc2CCC1(C)C)c1nccn1C 97038230 NGZNXLOSGINMSB-XJKSGUPXSA-N 283.419 3.784 0 40 CHAB Cc1ncc(C(=O)N(Cc2ccccc2)C(C)(C)C)c(C)n1 97110903 JEQDBISBPPHEFA-UHFFFAOYSA-N 297.402 3.534 0 40 CHAB O=[S@](c1ccccc1)[C@@H]1C[C@@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2 104292324 OITBQIGRFXNGRO-BKOLHWEDSA-N 284.424 3.929 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCc1c[nH]c2ccccc12 104673794 OMIVVNMEZHTGMN-OFQRWUPVSA-N 296.414 3.653 0 40 CHAB Cc1cnc(CN2CCC[C@@H](c3cc(F)ccc3F)C2)o1 191675740 GXJNGRAOTZTLJJ-GFCCVEGCSA-N 292.329 3.641 0 40 CHAB CC1=CC(C)(C)Nc2ccc(I)cc21 199802821 OALPOUJOPDRVHW-UHFFFAOYSA-N 299.155 3.899 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)c1ccccc1 216379387 HEVCDMJDWZIVTM-INIZCTEOSA-N 287.334 3.646 0 40 CHAB C[C@H]1CCCCN1CCCCOc1ccccc1C=O 217796020 WMIWTTWSWAXQPG-HNNXBMFYSA-N 275.392 3.533 0 40 CHAB Cc1ccc(C)c(C[C@H](OCc2ccccc2)C(=O)O)c1 225030199 HVVRWYBQUXJCPX-KRWDZBQOSA-N 284.355 3.516 0 40 CHAB CC[C@@H](C)Oc1ccccc1[C@H](C)NCCCOC 225161724 RVPYOISYUKKLEQ-KGLIPLIRSA-N 265.397 3.551 0 40 CHAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)C(C)C)c1 225184968 DGLUITGPFZCTER-CQSZACIVSA-N 279.449 3.697 0 40 CHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)C 225221134 ZXBNEWCGHNJLLU-SMDDNHRTSA-N 283.799 3.658 0 40 CHAB S=C(Nc1ccccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225320252 NHQSEXJBUGXWII-GIPNMCIBSA-N 280.824 3.815 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)CCc2ccccc2F)cc1 225634200 KBVOJAUKFHPLMC-CQSZACIVSA-N 285.362 3.944 0 40 CHAB CC[n+]1ccc(-c2nc3ccc(C)cc3s2)cc1 226773230 IABJPKWDOCUCRG-UHFFFAOYSA-N 255.366 3.579 0 40 CHAB Cc1c(C(=O)[C@H](C)Cl)cccc1C(F)(F)F 382731587 USDVKBARGKLWHH-ZETCQYMHSA-N 250.647 3.824 0 40 CHAB COc1ccccc1/C=C/C(=O)Nc1cc(C)ccc1C 149601 LIFGHYSITPOFCH-ZHACJKMWSA-N 281.355 3.964 0 40 CHAB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C 312705 VRAQFSFGVZLHAG-JHEDILSUSA-N 286.371 3.951 0 40 CHAB biogenic Cc1cccc(-c2nc3sc(C)cc3c(=O)o2)c1 551953 GYLIUPCGLUKDGO-UHFFFAOYSA-N 257.314 3.533 0 40 CHAB O=C(O)c1cccc(F)c1C(=O)c1cccc2ccccc12 1632845 IYAAKRMQXYKIQX-UHFFFAOYSA-N 294.281 3.908 0 40 CHAB CC(C)(C)C(=O)Nc1nc(-c2ccccc2)cs1 3141198 YJOZXEYFXGVSPC-UHFFFAOYSA-N 260.362 3.795 0 40 CHAB CCc1cccc(C)c1NC(=O)CN1CCc2ccccc21 3538077 URPDBUYXDPQBOW-UHFFFAOYSA-N 294.398 3.559 0 40 CHAB O=C(O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4204757 RXUAHMQUGGEWOB-UHFFFAOYSA-N 299.370 3.540 0 40 CHAB Fc1ccc(NC(=S)N2CCCCC2)cc1Cl 4503324 COCUTRZBGDPGIS-UHFFFAOYSA-N 272.776 3.662 0 40 CHAB Cc1ccc(NC(=O)c2cc3sccc3n2C)cc1 4971070 NHXJOWKDVGJZGF-UHFFFAOYSA-N 270.357 3.801 0 40 CHAB CCCCN(C(C)=O)c1nnc(-c2cccc(C)c2)s1 4982503 KFPNOQOEVNFIAQ-UHFFFAOYSA-N 289.404 3.667 0 40 CHAB CC[C@H]1C[C@H]2CCN1[C@H]([C@@H](O)c1ccnc3ccccc13)C2 5138764 YGSPYMMGHMAUNZ-WXRFYESLSA-N 296.414 3.531 0 40 CHAB COCc1cccc(C(=O)Nc2cccc(C)c2C)c1 5278113 KJPOJWKYBVKBGT-UHFFFAOYSA-N 269.344 3.702 0 40 CHAB Cc1cc(Cl)cc(C)c1OCC(=O)NC1CCCCC1 6337512 VFWPHVOVAPZFRW-UHFFFAOYSA-N 295.810 3.785 0 40 CHAB O=C(Nc1ccccc1F)NC12CC3CC(CC(C3)C1)C2 6884609 NWXURANMBAZRGO-UHFFFAOYSA-N 288.366 3.916 0 40 CHAB CCc1ccccc1NC(=O)c1noc2c1C[C@@H](C)CC2 7000167 OCTXAYPGKPUENA-NSHDSACASA-N 284.359 3.614 0 40 CHAB CCCOc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1 8565768 DCAITBRWIVQJNP-UHFFFAOYSA-N 297.354 3.930 0 40 CHAB C[C@H](NC(=O)c1cc2ccccc2s1)c1ccccn1 12536408 MNUQXIDEXKKSLJ-NSHDSACASA-N 282.368 3.787 0 40 CHAB CCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12757425 WJAVKDPCLAFNFQ-VUXUOOGWSA-N 291.394 3.810 0 40 CHAB O=C(c1ccc(Cl)cc1F)N1CCc2sccc2C1 14522085 SWAGWKDEOKDSFU-UHFFFAOYSA-N 295.766 3.739 0 40 CHAB CC(C)Sc1nc(=O)n(C2CCCCC2)c2c1CCC2 15840353 ISDBOOHEXZIEFC-UHFFFAOYSA-N 292.448 3.738 0 40 CHAB CC(C)CNC(=O)N[C@@H](C)c1ccc2ccccc2c1 32862724 BSJLSRAOZGTQQM-ZDUSSCGKSA-N 270.376 3.856 0 40 CHAB COc1ccc(OC)c([C@@H](C)NCc2ccccc2C)c1 35012325 QYVLNGUSAXIKKK-CQSZACIVSA-N 285.387 3.863 0 40 CHAB Cc1ccsc1C(=O)N1c2ccccc2C[C@H]1C 36718639 LVHNCLFOGJZYLQ-LLVKDONJSA-N 257.358 3.648 0 40 CHAB COc1ccc(F)cc1C(=O)c1ccccc1Cl 37362327 GEFHIPBXGRKRFG-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB O=C(/C=C/c1ccccc1)NCC1(c2ccc(F)cc2)CC1 38591163 LSOVXBBUBZAIEE-IZZDOVSWSA-N 295.357 3.687 0 40 CHAB CC[C@H](C)NC(=O)Nc1ccc(C)cc1Br 40023743 OVLWPMSWMFGNPC-VIFPVBQESA-N 285.185 3.678 0 40 CHAB Nc1ccc(NC2CCCCC2)c(Br)c1 43596541 KYXKJNHURWGYEO-UHFFFAOYSA-N 269.186 3.776 0 40 CHAB Cc1ccc(C)c(CNc2cc(C(N)=O)ccc2Cl)c1 49670182 ISHGFHZIKNPATL-UHFFFAOYSA-N 288.778 3.668 0 40 CHAB C[C@H](NCC(=O)Nc1ccccc1Cl)c1ccccc1 57303735 KRCVHDLQZUNNTM-LBPRGKRZSA-N 288.778 3.629 0 40 CHAB Cc1ccc2nc(-c3cc(N)c(C)c(N)c3)oc2c1C 57351256 PJZWNIOCLUJPDB-UHFFFAOYSA-N 267.332 3.584 0 40 CHAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1nc(-c2ccccc2)c[nH]1 58194262 JRMIMOLWSFNTFH-UONOGXRCSA-N 295.386 3.610 0 40 CHAB CCOC(Cc1cccc(C(F)(F)F)c1)OCC 60276662 UOOUBECTXDEFDQ-UHFFFAOYSA-N 262.271 3.647 0 40 CHAB in-vitro Cc1ccc(-c2cc(C3(CN)CCCC3)no2)c(C)c1 72220690 SFRNIKBASONDJZ-UHFFFAOYSA-N 270.376 3.729 0 40 CHAB O=C(NCc1coc(-c2ccccc2)n1)Nc1ccccc1 72302913 NMLMFJARCIBVHT-UHFFFAOYSA-N 293.326 3.663 0 40 CHAB COc1ccc2nc(SCc3ncc(C)cc3C)[nH]c2c1 77287163 YTUHHMNQRUNZTP-UHFFFAOYSA-N 299.399 3.876 0 40 CHAB in-vitro O=C(C[C@H]1C=CCC1)Nc1cncc2ccccc12 89764866 NXLMZNXJBVBKJM-LBPRGKRZSA-N 252.317 3.530 0 40 CHAB C[C@H](N[C@H]1C[C@@H]2CCCc3cccc1c32)c1cnccn1 90974631 DWSHQHCTHHVTQY-NOLJZWGESA-N 279.387 3.692 0 40 CHAB Cc1cccc(NC(=O)c2cc(F)ccc2F)c1F 95067916 BGNHVRNCRLREAB-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB Cc1ccc(C=O)c(OCc2ccc(F)cc2)c1C 95095139 VQZLRJZYAGBOQN-UHFFFAOYSA-N 258.292 3.834 0 40 CHAB C[C@H]1CC[C@H]1COc1ccc(Br)cc1 96526388 QIKCTGBVJVCOQP-UWVGGRQHSA-N 255.155 3.874 0 40 CHAB Cc1cccc(CN(Cc2cccc(C)n2)C[C@@H]2C[C@@H]2C)n1 97105619 GKWHMOGCBNAMHQ-YOEHRIQHSA-N 295.430 3.752 0 40 CHAB CC1(C)CCc2ccccc2[C@@H]1NCc1nnc(C2CC2)o1 97373760 XDIIGGNPEOBWLU-INIZCTEOSA-N 297.402 3.750 0 40 CHAB CC1(C)CC(=O)[C@@H]2C(c3ccc(C(C)(C)C)cc3)=NN[C@@H]2C1 228932700 BGCOUAMXBGPCCU-GDBMZVCRSA-N 298.430 3.665 0 40 CHAB CCCCOCc1nn(CC(C)C)cc1Br 408716431 MWLXJYSJACFKRH-UHFFFAOYSA-N 289.217 3.618 0 40 CHAB CCOc1ccc(C(=O)CCC(=O)c2cccs2)cc1 409055510 ZBMJGSAGJQPINX-UHFFFAOYSA-N 288.368 3.993 0 40 CHAB CSc1ccc(NCc2csc(C)n2)cc1F 86211093 RBQQVRBNWYFUQB-UHFFFAOYSA-N 268.382 3.925 0 40 CHAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1 103592 IBTPJJBKQBIYDQ-UHFFFAOYSA-N 287.388 3.838 0 40 CHAB CC(=O)c1ccc2ccccc2c1OC(=O)c1ccncc1 240790 ZGTBTVGPDLJINX-UHFFFAOYSA-N 291.306 3.657 0 40 CHAB CCCCN(CCCC)[C@H]1CCC[C@H](OC(=O)NC)C1 1714563 NTJFHLLKGBXEJW-GJZGRUSLSA-N 284.444 3.556 0 40 CHAB CCN(CC)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 4416393 KHAVOAZXCFZPQI-FMKPAKJESA-N 253.430 3.560 0 40 CHAB CCc1nc(=S)c2c3c(sc2[nH]1)COC(C)(C)C3 1250865 GJXXFBVXQNWIKI-UHFFFAOYSA-N 280.418 3.768 0 40 CHAB Cc1nccn1-c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1F 56103133 OODVGCPADPHCHJ-CYBMUJFWSA-N 299.349 3.615 0 40 CHAB FC(F)Oc1ccc(-c2nc3ccccc3[nH]2)cc1 12624152 LCPLIHSINQBOGP-UHFFFAOYSA-N 260.243 3.831 0 40 CHAB Cc1nc2ccc(NCc3cnn(C(C)(C)C)c3)cc2o1 89729884 YCXRZDSAKUZPPF-UHFFFAOYSA-N 284.363 3.700 0 40 CHAB CCCCc1ccc(NC(C)=O)c(Br)c1 28284634 CDHHTOKVWKHCFS-UHFFFAOYSA-N 270.170 3.750 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)c2cccc(C)c2C)c1 58266889 UEFLAAXDEFDPMT-UHFFFAOYSA-N 296.370 3.904 0 40 CHAB O[C@@H]1CCCC[C@H]1c1ccccc1OC(F)(F)F 55230081 YQDZZDXWFCDICT-GXSJLCMTSA-N 260.255 3.604 0 40 CHAB Clc1ccc(-c2nnc3sc(C4CCC4)nn23)cc1 36360755 JBIITTTZXOBMTM-UHFFFAOYSA-N 290.779 3.774 0 40 CHAB CCn1c(-c2ccc(Br)cc2)c[nH]c1=S 3440562 VIZTYUGVWFOATO-UHFFFAOYSA-N 283.194 3.995 0 40 CHAB CC(C)OCCOC(=O)CCCSc1ccccc1 3411560 SXYXGVBHWIMUDD-UHFFFAOYSA-N 282.405 3.527 0 40 CHAB FC(F)(F)c1cccc(Nc2ccc(Cl)nn2)c1 37329087 FZNIGOHKUIIZCW-UHFFFAOYSA-N 273.645 3.892 0 40 CHAB CSCc1ccc(C(=O)Nc2ccccc2C)o1 9218681 VSLHNMYFCLPZQF-UHFFFAOYSA-N 261.346 3.703 0 40 CHAB O=C(Cc1ccccc1F)Nc1cccc2ncccc12 6322899 BHEZQLOHYQEPTF-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)no1 4538722 NCOATAKBMVZADI-UHFFFAOYSA-N 286.262 3.634 0 40 CHAB CC(C)CCOc1ccccc1C(=O)Nc1cccc(N)c1 19736023 OEZBVHQNBSFBHO-UHFFFAOYSA-N 298.386 3.946 0 40 CHAB O=C1N[C@H](c2cccc(Cl)c2Cl)Nc2ccccc21 9339365 NFMZAWMVLLTERZ-CYBMUJFWSA-N 293.153 3.848 0 40 CHAB Cc1ccc2c(CC(=O)NCc3ccccc3)coc2c1C 6809893 HTAGAFFNUFOILB-UHFFFAOYSA-N 293.366 3.909 0 40 CHAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(CO)cc1 6939012 VVNGTLQMXLSXRD-CYBMUJFWSA-N 283.371 3.945 0 40 CHAB Cc1cc(Nc2cccc(O)c2)c2ccccc2n1 6912135 OLVAXNKVWYWHSD-UHFFFAOYSA-N 250.301 3.992 0 40 CHAB Nc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 7468629 AQZOHBNMUNXNEB-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CSc1ccc2nc(NC[C@H]3CCCO3)sc2c1 75172858 OXWJMTCLKCQGEE-SECBINFHSA-N 280.418 3.609 0 40 CHAB Cc1cccc(Cl)c1C(=O)C(F)(F)Br 307727737 DORGOIHLXZLZMW-UHFFFAOYSA-N 283.499 3.819 0 40 CHAB Cc1cc(C)c2c(N)c(-c3cn4ccccc4n3)sc2n1 27231835 OHCDEKAWNOMFNQ-UHFFFAOYSA-N 294.383 3.810 0 40 CHAB CCSc1ccc(C(=O)C(F)(F)Cl)cc1 308823771 QPVMFSCMEMMROS-UHFFFAOYSA-N 250.697 3.813 0 40 CHAB CCCCC(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 32609580 PHAIJSNSUPLEBQ-CQSZACIVSA-N 270.376 3.845 0 40 CHAB CCN1CCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 72212947 FXQSJNVYRPNRIR-MRXNPFEDSA-N 275.440 3.862 0 40 CHAB Cc1cnccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72219549 RKWCGVMWYNJJBX-KRWDZBQOSA-N 280.371 3.757 0 40 CHAB CCCOc1c(C)cc(NC(=O)C(C)(C)OCC)cc1C 225648449 NBIDKJBAZZQJHY-UHFFFAOYSA-N 293.407 3.846 0 40 CHAB C[C@@H](NC[C@H]1CCCO1)c1cccc(OC2CCCC2)c1 225167552 LRNVTYKREVBMEX-RDTXWAMCSA-N 289.419 3.838 0 40 CHAB CCCOc1c(C)cc(NC(=O)C(F)(F)F)cc1C 225588711 ZYTBCJDTUXNGAG-UHFFFAOYSA-N 275.270 3.593 0 40 CHAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccnc1 225324719 OWTWGMXPLANJES-UHFFFAOYSA-N 295.169 3.960 0 40 CHAB Brc1ccccc1COC1CCCC1 49600852 HTVSZADWECRLDN-UHFFFAOYSA-N 255.155 3.908 0 40 CHAB CC/C=C(/C)C(=O)Nc1ccc(OC(F)F)cc1 40087886 VNCFGNWMKOOYJZ-WTKPLQERSA-N 255.264 3.583 0 40 CHAB CCc1ccc([C@H](C)N[C@@H]2CCO[C@]3(CCSC3)C2)o1 90542106 ZZDNZXRLQJBYGM-WOSRLPQWSA-N 295.448 3.547 0 40 CHAB CCN(CC)[C@@H](C(=O)c1ccccc1)c1ccccc1 95860050 SIIBSZRDKLJLBE-QGZVFWFLSA-N 267.372 3.952 0 40 CHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)c1cc(Cl)cc(Cl)c1 95634179 KNWDHWYRCHLYCK-VXGBXAGGSA-N 299.153 3.843 0 40 CHAB Cc1nc(C)c(CN[C@@H](C)c2cc(F)cc(F)c2)s1 97228391 XRVJZTPGNWGTLW-QMMMGPOBSA-N 282.359 3.889 0 40 CHAB Cc1ccc2nc(C(F)(F)F)cc(O)c2c1Cl 16159566 GWZHFJYJFNEVSC-UHFFFAOYSA-N 261.630 3.921 0 40 CHAB C[C@@]12CC[C@@H](C1)[C@](O)(c1ccccc1)[C@]2(O)c1ccccc1 5119125 MFXCNFWQMUZNLU-NMLBUPMWSA-N 294.394 3.582 0 40 CHAB CC(C)C(NC(=O)CCCOc1ccccc1)C(C)C 14398034 LIIOIOPOACOBNC-UHFFFAOYSA-N 277.408 3.642 0 40 CHAB Cc1ccc(S[C@H](Cc2ccccc2)C(=O)O)cc1 11692838 JZLJWNGGZNBHHR-OAHLLOKOSA-N 272.369 3.783 0 40 CHAB C[C@@H]1CCc2c(sc3c2[C@H](c2cccnc2)CC(=O)N3)C1 15085264 NVIIEWXQZKANPW-MFKMUULPSA-N 298.411 3.742 0 40 CHAB Fc1cccc(Cl)c1CN1CCC[C@H](N2CCCC2)C1 23358977 WAXLLZXDAYCRTG-ZDUSSCGKSA-N 296.817 3.539 0 40 CHAB O=C(Nc1cccnc1)c1cc(-n2cccc2)ccc1Cl 32103453 OYCWXTFRGDYQLX-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB CC(C)(C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20745346 YEECRMBEEFEAAU-UHFFFAOYSA-N 290.794 3.752 0 40 CHAB CC(=O)c1c(-c2cccs2)nc2n(C)c3ccccc3n12 302064 URULFBIYMLGQNF-UHFFFAOYSA-N 295.367 3.757 0 40 CHAB CC(=O)c1ccc(OC(=O)c2ccccc2Cl)cc1 50456 RGIQHPRBBZQHSD-UHFFFAOYSA-N 274.703 3.762 0 40 CHAB CC(C)CCNC(=O)c1cccc2c1-c1ccccc1C2=O 133602 ONGDRUNFKCSDRS-UHFFFAOYSA-N 293.366 3.674 0 40 CHAB CC(C)CSc1ncnc2c1cnn2-c1ccccc1 421026 JBYQXSODJROSTF-UHFFFAOYSA-N 284.388 3.564 0 40 CHAB O[C@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 1615839 KHKONORVTCGPCB-GRDNDAEWSA-N 293.838 3.886 0 40 CHAB COc1cc(C)ccc1C(=O)c1ccc(C)cc1OC 1727312 MURHDPXRYLOCLY-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB CCCCSc1nnc(-c2ccc(OC)cc2)o1 2069136 KEWZLMGHCXYWMO-UHFFFAOYSA-N 264.350 3.637 0 40 CHAB CCOC(=O)c1ccccc1C(=O)CCc1ccccc1 2516319 SQGFRLPFABIKLN-UHFFFAOYSA-N 282.339 3.679 0 40 CHAB COc1ccccc1CCC(=O)c1cc(F)cc(F)c1 2516486 AIVGZQNLXXINMC-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB O=c1oc2cccc(O)c2cc1[C@H]1CCc2ccccc2C1 2555379 FSLFRCJTFQJXBD-AWEZNQCLSA-N 292.334 3.771 0 40 CHAB CCCCc1ccc(NCn2nnc3ccccc32)cc1 2571033 IMXRQZKFRAIVDG-UHFFFAOYSA-N 280.375 3.844 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1cc2c(s1)CCC2 3230509 RHSGZNQFAMPMBO-UHFFFAOYSA-N 291.803 3.820 0 40 CHAB COc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1 5299945 LIYUBRGFVYCPCH-UHFFFAOYSA-N 281.315 3.821 0 40 CHAB CC(=O)Nc1ccc(C(=O)OCc2cc(C)ccc2C)cc1 5367435 DLEBOCULPASTOR-UHFFFAOYSA-N 297.354 3.619 0 40 CHAB CCCCC(=O)Nc1ccccc1N1CCCCC1 5567710 GUEHMDNLAGNNIK-UHFFFAOYSA-N 260.381 3.806 0 40 CHAB COc1ccc(Cc2c(C)[nH]c3c(C)cccc3c2=O)cc1 5818593 VMSGKOYSIJPMBO-UHFFFAOYSA-N 293.366 3.744 0 40 CHAB biogenic Cc1c(C(=O)N[C@@H](C)c2ccccn2)oc2c(F)cccc12 6822613 IBLFRTKNQCKEQL-NSHDSACASA-N 298.317 3.766 0 40 CHAB CC[C@@H](C)[C@H](C(=O)Nc1nccs1)c1ccccc1 7654863 JYVAGFSJUUCFSS-YPMHNXCESA-N 274.389 3.912 0 40 CHAB Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1 8168378 PSTSXMXJYBFUDT-AWEZNQCLSA-N 253.345 3.529 0 40 CHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(F)c1 8481045 PHEFWLKIPGHFPW-AWEZNQCLSA-N 291.297 3.761 0 40 CHAB Cc1ccc(Oc2ccc(N[C@H](C)C(=O)O)cc2)cc1 8702713 KKQIOBZCCVUUHZ-GFCCVEGCSA-N 271.316 3.672 0 40 CHAB COc1ccccc1NC(=O)c1ccc2c(c1)CCCC2 9390233 OHZLVDDOZQCIHZ-UHFFFAOYSA-N 281.355 3.826 0 40 CHAB CC(C)[C@@H](C)NC(=S)Nc1ccc(Cl)cc1 11095296 VWRYLRFUTDHDPS-SECBINFHSA-N 256.802 3.671 0 40 CHAB O=C(O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 11849452 NEDGCGSOSGYIAM-UHFFFAOYSA-N 292.294 3.634 0 40 CHAB Nc1sc2c(c1C(=O)c1cccc(Cl)c1)CCC2 13558660 YOLMMCXSTIHBBG-UHFFFAOYSA-N 277.776 3.703 0 40 CHAB Cc1nc2cc(-c3ccc(F)cc3)nn2c(Cl)c1C 13562620 OWXBHZYCPWAESE-UHFFFAOYSA-N 275.714 3.806 0 40 CHAB CCCN1C(=O)c2ccccc2[C@H]1c1ccccc1 13942866 MJYBXUNRNZKJPL-MRXNPFEDSA-N 251.329 3.642 0 40 CHAB CC(C)(C)c1ccc(OCC[C@@H]2CCCNC2)cc1 14632371 XZONYLGJBZSYHK-AWEZNQCLSA-N 261.409 3.753 0 40 CHAB O=C(Nc1cccc(NCCc2ccccc2)c1)C1CC1 20093463 LEULZXDHZNLSGM-UHFFFAOYSA-N 280.371 3.690 0 40 CHAB c1ccc2c([C@@H]3NCCc4c3[nH]c3ccccc43)c[nH]c2c1 20757831 ZWNGOYWZUZEHQG-SFHVURJKSA-N 287.366 3.884 0 40 CHAB biogenic C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(Cl)c(Cl)c1 23977097 WPYGIYYKMJVDMB-WEDXCCLWSA-N 272.175 3.827 0 40 CHAB O=C(Nc1ccccc1N1CCCCC1)c1ccoc1 24467345 XXFLVIPVLQFXFK-UHFFFAOYSA-N 270.332 3.522 0 40 CHAB Cc1nccc(-c2cccc(NC(=O)c3occc3C)c2)n1 31121578 VCCULTWFTUNOLX-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB O=C1CCCCC[C@H]1Sc1nnc(-c2cccs2)o1 31700300 FLLIAXHFABDWEE-SNVBAGLBSA-N 294.401 3.792 0 40 CHAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC=CCC1 32930668 LORLNTPBFBXZME-GXTWGEPZSA-N 277.795 3.744 0 40 CHAB Oc1ccc(Br)c(OCc2ccccc2)c1 34625751 DNSGVSFZTCXNCE-UHFFFAOYSA-N 279.133 3.734 0 40 CHAB COc1ccc(CN[C@H](C)c2cc(C)sc2C)cc1O 35252889 KQEBAOWATCLIPU-LLVKDONJSA-N 291.416 3.930 0 40 CHAB Cc1ccccc1C(=O)NCc1ccc(COC(C)C)cc1 40122259 KCIUFOANYVABRE-UHFFFAOYSA-N 297.398 3.850 0 40 CHAB C[C@@H](NC(=O)Nc1ccncc1)c1ccc(Cl)s1 40145803 LKGMQPZVZGBNBT-MRVPVSSYSA-N 281.768 3.679 0 40 CHAB Cc1ccccc1C(=O)c1cc(F)c(F)c(F)c1 43391855 GSKVABSJSYDDJM-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB C[C@@H](CNC(=O)CCc1ccccc1)c1ccccc1 43700802 KIGKDEBDVHDZKO-HNNXBMFYSA-N 267.372 3.539 0 40 CHAB CN(Cc1ccccc1)C(=O)CCCOc1ccccc1 50123839 MDZNYEDRGNTJTG-UHFFFAOYSA-N 283.371 3.504 0 40 CHAB CN(Cc1cccnc1Cl)c1ccccc1F 52717433 RVVFHSOCSXRIBF-UHFFFAOYSA-N 250.704 3.511 0 40 CHAB O=C(CC1CCCCC1)N1CCC[C@H](C(F)(F)F)C1 65550703 YSACKARGWWXJSE-LBPRGKRZSA-N 277.330 3.758 0 40 CHAB Cc1cc(F)ccc1-c1ccc([C@@H]2C[C@@H]2C(=O)O)o1 70452830 LEFFUGLUDJNNAR-NEPJUHHUSA-N 260.264 3.582 0 40 CHAB CCCCN[C@H](C)c1ccn(Cc2ccccc2)c1 78406094 GKSQFTYJTUKIMQ-OAHLLOKOSA-N 256.393 3.987 0 40 CHAB CCN(C(=O)[C@H](C)c1ccccc1)c1ccccc1 85423556 VQLXCWUIRJTSPO-CQSZACIVSA-N 253.345 3.843 0 40 CHAB O=C(Nc1ncc(Cl)cc1Cl)c1ccccc1F 89228942 SXVTXAWOBYDRQJ-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB FC(F)(F)c1cc(Br)cnc1C(F)(F)F 91252231 MURKJGAVBDTSNT-UHFFFAOYSA-N 293.992 3.882 0 40 CHAB COc1cc(OC)cc(C(=O)c2cccc(C)c2C)c1 95916730 KRHRDNGBCUBZFT-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB O=C(c1cccc(F)c1)c1cc(Cl)ccc1F 95917058 UWEKORTWBIPIIW-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CC(C)[C@@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1 96047905 UEZBNGBNVWKXSF-INIZCTEOSA-N 291.410 3.853 0 40 CHAB CC[C@H](NCc1nccn1CC(C)C)c1ccc(F)cc1 96478401 CLKXEWRLTMEUPB-INIZCTEOSA-N 289.398 3.919 0 40 CHAB Cc1n[nH]c(C)c1NC(=O)CSCC1CCCCCC1 97115488 QMRCWZDFPKDFLW-UHFFFAOYSA-N 295.452 3.669 0 40 CHAB Cc1ccc([C@@H](C)NCc2csc([C@H]3CCCO3)n2)o1 97374073 GIXBMROYNNZPTR-BXUZGUMPSA-N 292.404 3.747 0 40 CHAB O=C(O)c1csc(Nc2ccccc2C(F)(F)F)n1 155808096 JIQJBXCSCABYGJ-UHFFFAOYSA-N 288.250 3.604 0 40 CHAB O=C(CSc1nncs1)c1csc2ccccc12 194522508 MVWYGWBPLRTTOV-UHFFFAOYSA-N 292.410 3.728 0 40 CHAB O=C(NCc1cncc(-c2ccsc2)c1)[C@@H]1CC=CCC1 206944770 QLNSHWOLXGPQAI-CQSZACIVSA-N 298.411 3.783 0 40 CHAB COC(=O)CN1c2cc(Cl)ccc2[C@@H](C)CC1(C)C 223828500 GYNCDEAYTBFWEI-JTQLQIEISA-N 281.783 3.605 0 40 CHAB Cc1ccc(O[C@H](Cc2c(C)cc(C)cc2C)C(=O)O)cc1 225135822 QSFJBZPNRSCWQT-GOSISDBHSA-N 298.382 3.995 0 40 CHAB CCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226352311 ZTECRPFWHQZKIY-UHFFFAOYSA-N 293.706 3.647 0 40 CHAB Cc1cc(NCCc2ccccc2)nn1CC(C)C 256053615 SCRURYAIZHYXBK-UHFFFAOYSA-N 257.381 3.502 0 40 CHAB c1ccc2c(c1)CCC[C@@H]2Cc1nc(-c2cncs2)no1 333210025 POPTWLAYOIIBNB-GFCCVEGCSA-N 297.383 3.856 0 40 CHAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1 127572 MOJSCRRSJSQFJI-UHFFFAOYSA-N 294.379 3.986 0 40 CHAB Cc1cc2nnc(SC(C)C)n2c2ccccc12 421065 QVLJKADTAWKKPF-UHFFFAOYSA-N 257.362 3.691 0 40 CHAB OCc1cccc(-c2cccc(Br)c2)c1 1258862 KYIFYOHVXCAGGC-UHFFFAOYSA-N 263.134 3.608 0 40 CHAB C[C@H]1CCCCCC[C@@H]1OC(=O)c1ccccc1C(=O)O 1707468 LVNFNHCIECVTQR-WFASDCNBSA-N 290.359 3.901 0 40 CHAB Cc1nc2c3cccnc3ccc2n1Cc1ccccc1 1722207 YSGFLHSGMGSNFU-UHFFFAOYSA-N 273.339 3.941 0 40 CHAB CSc1ccc(NC(=O)NC2CCCCC2)cc1 1738940 HICDMIUWYCKABF-UHFFFAOYSA-N 264.394 3.863 0 40 CHAB C[C@@H]1CCC(c2ccccc2)(c2ccccc2)C1=O 2027520 SJLGMEWPVADDPU-CQSZACIVSA-N 250.341 3.972 0 40 CHAB Cc1cc(C)n(C(=O)COc2ccc(C(C)(C)C)cc2)n1 3311575 SIVHGFVEECGIJB-UHFFFAOYSA-N 286.375 3.517 0 40 CHAB O=C(Nc1ccccc1)c1ccc(OC(F)F)cc1 3480903 LELDAAFCBOFTBB-UHFFFAOYSA-N 263.243 3.540 0 40 CHAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccccn1 4970531 IKLFMPVPTSSXOV-UHFFFAOYSA-N 274.323 3.586 0 40 CHAB CCc1nccn1C(=O)Nc1ccc(Cl)c(Cl)c1 6160400 LHZDQGLBSDMKBV-UHFFFAOYSA-N 284.146 3.833 0 40 CHAB O=C(NC1CCCCC1)c1ccc2c(c1)CCCC2 6788992 NPSDICGDFOLHGA-UHFFFAOYSA-N 257.377 3.628 0 40 CHAB C[C@H]1C[C@H]1c1ccc(/C=C2\N=C(c3cccs3)OC2=O)o1 8111631 RLBXTXHMPBIEPO-WKZSSMBOSA-N 299.351 3.809 0 40 CHAB CCc1ccccc1NC(=O)c1ccc2c(c1)CCC2 12906346 SYLOSZPFNQYWRM-UHFFFAOYSA-N 265.356 3.990 0 40 CHAB Cc1nc2ccc(C(=O)NC3CCC(C)CC3)cc2nc1C 13011842 IZZQWMSETMMUIL-UHFFFAOYSA-N 297.402 3.555 0 40 CHAB CSc1ccccc1C(=O)Nc1ccc(C)cc1O 13022312 PPGQMJIEXDGYGU-UHFFFAOYSA-N 273.357 3.675 0 40 CHAB CC(C)n1ncc2cc(NC(=O)C3CCCCC3)cnc21 14244808 KKHOCJUQTKLZNJ-UHFFFAOYSA-N 286.379 3.531 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 14603079 AGERWBYLPJUVRF-YGRLFVJLSA-N 298.411 3.893 0 40 CHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)cc1 15340067 BIEJQHQTSUYQJG-HNNXBMFYSA-N 295.382 3.835 0 40 CHAB O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1ccco1 15838045 JKAAPDPMLYCWDJ-CYBMUJFWSA-N 274.295 3.788 0 40 CHAB O=C(NC1CCCCCC1)c1cc(-c2ccccc2)on1 16706246 YPUAVSJNJFURBH-UHFFFAOYSA-N 284.359 3.794 0 40 CHAB CCCc1cc(C(=O)Nc2ccncc2)sc1C 17584202 LRNNBQWUANXYTR-UHFFFAOYSA-N 260.362 3.656 0 40 CHAB Brc1ccc(Oc2ccncc2)cc1 19479641 TZTRSTMVTWWEDG-UHFFFAOYSA-N 250.095 3.636 0 40 CHAB c1csc(-c2nc(CN3CCc4ccccc4C3)co2)c1 22025140 ANYDUKKBBLLVPZ-UHFFFAOYSA-N 296.395 3.961 0 40 CHAB COc1cc(NC(=O)C[C@@H]2C=CCC2)c(OC)cc1Cl 23325617 FGXBFQSTECJATH-SNVBAGLBSA-N 295.766 3.652 0 40 CHAB CCc1ccc2occ(CC(=O)Nc3ccccn3)c2c1 27587464 NCJFTKQLMSYVEH-UHFFFAOYSA-N 280.327 3.571 0 40 CHAB CCCn1nccc1C(=O)Nc1cccc(Cl)c1C 28241487 FPKFWFDHHNLDDU-UHFFFAOYSA-N 277.755 3.507 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3ccsc3)cc2)co1 29211002 HTEUSVFWPGRANA-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB C[C@H](NC(=O)C1CCCC1)c1cccc(Br)c1 32796149 YNTQPQQCYFZNTD-JTQLQIEISA-N 296.208 3.817 0 40 CHAB CCc1nnc(COc2ccc(Cl)cc2Cl)o1 32865395 GPEXCPDSSOTRLV-UHFFFAOYSA-N 273.119 3.518 0 40 CHAB Cc1nccc(-c2cccc(NC(=O)C[C@H]3C=CCC3)c2)n1 33124911 LRQDMPUNYDEURK-AWEZNQCLSA-N 293.370 3.747 0 40 CHAB Cc1ccc(C2=NN[C@@](C)(c3ccc(C)o3)S2)cc1 35963600 SPYMSDPDAHVXJN-OAHLLOKOSA-N 272.373 3.767 0 40 CHAB Cc1ccc(CNC(=O)CCCc2ccccc2)s1 40122209 JBUBJBLXDZOTFG-UHFFFAOYSA-N 273.401 3.696 0 40 CHAB CSc1ccccc1NC(=O)N1CCC(C)CC1 40526185 FGPULHNYIXWWAM-UHFFFAOYSA-N 264.394 3.672 0 40 CHAB CCCCCCOC(=O)c1ccc(C2OCCO2)s1 43210343 ATLZBTWRQNEMTM-UHFFFAOYSA-N 284.377 3.531 0 40 CHAB Cc1cc(C(=O)N[C@@H](C)c2cccc3ccccc23)no1 43544805 GGTBLUBLLQAXPP-LBPRGKRZSA-N 280.327 3.627 0 40 CHAB CCC[C@H](NC(=O)/C=C/c1ccccn1)c1ccccc1 47519606 VREGITFYYRLVRN-UJGDBWEASA-N 280.371 3.752 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H](C)C1CC1 48113691 AJZDJOABTHKWQL-SMDDNHRTSA-N 290.407 3.699 0 40 CHAB CN(C)[C@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 58123588 QHZWILTUFPJLSM-GOSISDBHSA-N 292.382 3.524 0 40 CHAB CCN(C(=O)c1ccc[nH]1)[C@H](C)c1cc2ccccc2o1 60012157 ZOWFCKUMSVAEPA-GFCCVEGCSA-N 282.343 3.984 0 40 CHAB CCCCS[C@@H](C)C(=O)N1CCC[C@H]1c1cccn1C 71904765 LBOOIJFRBHWYRG-ZFWWWQNUSA-N 294.464 3.610 0 40 CHAB CCN(C)c1ncccc1[C@H]1CCCCN1CC(C)C 72212799 UIZGWMKTAPBOJW-MRXNPFEDSA-N 275.440 3.721 0 40 CHAB CCCN1CCC[C@@H]1c1cnc(N2CCCC2)cc1C 72218861 ZPQXPZZXYQWKDM-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB N[C@@H](c1ccccc1)c1ccc(Nc2ccccc2)nc1 72225310 OVHTVYYKRMZLTA-SFHVURJKSA-N 275.355 3.873 0 40 CHAB Fc1cccc(-c2nc(Cl)cc(-c3cccnc3)n2)c1 73695357 QOIFGGBUBVBIBS-UHFFFAOYSA-N 285.709 3.998 0 40 CHAB CSc1cccc2sc(NC[C@H]3CCCO3)nc12 75172855 GARSCHCUURIINY-SECBINFHSA-N 280.418 3.609 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)C(C)C)cc1 78362286 AAHXIVSBFMIWGN-OLZOCXBDSA-N 265.422 3.636 0 40 CHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cscn1 78482649 NDWPBUNMTYMLHP-GFCCVEGCSA-N 288.416 3.629 0 40 CHAB CO[C@@H](C)c1cccc(NCc2cccc3cn[nH]c23)c1 89905251 VTJUUSIKSYEHQT-LBPRGKRZSA-N 281.359 3.882 0 40 CHAB Cc1ccc(F)c(OC(Cl)(Cl)Cl)c1F 95215677 SAINLCGRSWZCJC-UHFFFAOYSA-N 261.482 3.980 0 40 CHAB C[C@H]1C[C@@H](N(C)C2CCC2)CCN1Cc1ccccc1 95441674 AGYDJTMPFLQYCT-YJBOKZPZSA-N 272.436 3.524 0 40 CHAB O=[S@@](CCSc1cccs1)c1ccccc1 96409124 NUJOHFDKRPLHHJ-MRXNPFEDSA-N 268.428 3.648 0 40 CHAB C[C@@H](c1ccccn1)N(C)Cc1csc(-c2ccoc2)n1 96485803 DJPFIZQDZXRSGW-LBPRGKRZSA-N 299.399 3.991 0 40 CHAB O=C(O)c1scc(Cl)c1OCc1ccccc1 96510960 UATDFSJRTYMOMD-UHFFFAOYSA-N 268.721 3.679 0 40 CHAB Nc1cc(Cl)c(NCCc2ccccn2)c(Cl)c1 96524274 CVLASPRHISNAPR-UHFFFAOYSA-N 282.174 3.625 0 40 CHAB S=C(Nc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100999049 ZNJGUXPWGCZBSS-GIPNMCIBSA-N 280.824 3.815 0 40 CHAB Cc1nc(Cl)cc(N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 106866600 DMUAXOHXOBUXAQ-NUGNTBJXSA-N 265.788 3.675 0 40 CHAB C1CCC(CCc2nnc(SC3CCOCC3)o2)CC1 128861600 PKVAVMZBBBGEFO-UHFFFAOYSA-N 296.436 3.854 0 40 CHAB CCOC(=O)N1CCS[C@H](c2ccccc2Cl)CC1 208046921 DATPJWJGGNPQCV-ZDUSSCGKSA-N 299.823 3.977 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)NCC2CCCCC2)c1C 224432501 ZQGMDPDBOVDLOR-OAHLLOKOSA-N 289.419 3.767 0 40 CHAB Cc1cccc(O[C@@H](Cc2ccc(C)c(C)c2)C(=O)O)c1 225033196 NYAMODOQIXFHAL-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CNc1cc(C)c2oc(-c3ccc(OC)cc3)nc2c1 226272065 XDRFPTJMZKHGRK-UHFFFAOYSA-N 268.316 3.854 0 40 CHAB Cc1cc(C)c(NC(=O)COc2cc(C)ccc2C)c(N)c1 226358940 ZBXYWTRRBQNVQA-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB Cc1nn(CC(F)(F)F)cc1NCc1ccc(F)s1 256053820 TUTBNSRQBLXUOU-UHFFFAOYSA-N 293.289 3.567 0 40 CHAB Cc1ccc(-c2ccc(C(=O)NCC(C)C)c(C)n2)cc1 257173835 YTJQOXDIIRVKLT-UHFFFAOYSA-N 282.387 3.751 0 40 CHAB CCCNC(=O)N[C@@H](c1ccsc1)c1cccs1 390826907 REPZJKCVEKGFCC-LBPRGKRZSA-N 280.418 3.608 0 40 CHAB O=C(COc1ccccc1)c1cc(F)c(Cl)c(F)c1 575242959 ZZDMFEREOCUJDZ-UHFFFAOYSA-N 282.673 3.880 0 40 CHAB Cc1cc(C)nc(N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)n1 1775975744 FLIOZOMKIYFZKV-HOTGVXAUSA-N 269.392 3.561 0 40 CHAB NCCCc1c[nH]c2c(OCc3ccccc3)cccc12 1857793118 ODCRDYDHQIZHLT-UHFFFAOYSA-N 280.371 3.638 0 40 CHAB CN1C(=O)c2cccc3c(Cl)cc(Br)c1c23 119418 FPZHTBYMEGMLCH-UHFFFAOYSA-N 296.551 3.846 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2Cl)c(OC)c1 483016 FIXSZXAIRUDDOB-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB O=c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cn12 1734455 GFIOCOZHABVGFY-UHFFFAOYSA-N 291.137 3.668 0 40 CHAB CCCC[C@@H](CC)C(=O)Oc1ccccc1OC 2065816 JXFHZQSEECYEOP-GFCCVEGCSA-N 250.338 3.817 0 40 CHAB Cc1nn2c(C(F)F)cc(C(F)F)nc2c1Cl 2786397 YITZLMPLVYKUCR-UHFFFAOYSA-N 267.613 3.566 0 40 CHAB CCCCCc1nnc(NC(=O)c2ccccc2)s1 3156468 QFQZTVSKVDRUDD-UHFFFAOYSA-N 275.377 3.523 0 40 CHAB CCCCP(=O)(CCCC)c1ccc(C(=O)O)cc1 3157494 XDFGZDPZRSHQOM-UHFFFAOYSA-N 282.320 3.973 0 40 CHAB COC[C@@H](C)Nc1nc(-c2ccc(Cl)cc2)cs1 3321789 XUORCGXJOWCHIE-SECBINFHSA-N 282.796 3.910 0 40 CHAB CCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1 3399165 FJEMXJKQJNWHPQ-UHFFFAOYSA-N 263.344 3.684 0 40 CHAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2)N3)C1 4525551 NXSOHIGGBSRJBY-ZUZCIYMTSA-N 298.411 3.727 0 40 CHAB C[C@H](CCCCCCCCCCCOCCO)C(=O)O 5357159 MQJFRZBWXYSIRZ-OAHLLOKOSA-N 288.428 3.617 0 40 CHAB COc1cc(C)c(NC(=O)CC2CCCC2)cc1OC 6259146 LFHLGJKNHRACJY-UHFFFAOYSA-N 277.364 3.531 0 40 CHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1F 7242332 UGCJNRJQTZIRAD-LBPRGKRZSA-N 298.361 3.754 0 40 CHAB O=C(NCc1ccccc1Cl)c1cc(F)cc(F)c1 7969047 ZSOIMMIIODXPRA-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CCc1cccc(C)c1Nc1nnc(SC)s1 8355729 DVSXZRFVKTYAOG-UHFFFAOYSA-N 265.407 3.874 0 40 CHAB Cc1ccc(NC(=O)CCc2c(C)noc2C)c(Cl)c1 9515822 FBYQVLBHDXNKLN-UHFFFAOYSA-N 292.766 3.825 0 40 CHAB CC1=CC[C@@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3[C@H]2C1 12657371 WWIMATJEWPNNPT-MPGHIAIKSA-N 292.382 3.580 0 40 CHAB biogenic O=C(Sc1ccccn1)c1ccc(Br)cc1 13284214 GLLCRRHULVLZEJ-UHFFFAOYSA-N 294.173 3.777 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1 14030967 NDQMKHNPKLBWLJ-UHFFFAOYSA-N 273.307 3.867 0 40 CHAB Fc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1 17086099 CCSSHXZVAJUENK-UHFFFAOYSA-N 290.301 3.597 0 40 CHAB COc1ccc([C@H](NC(=O)C[C@H]2C=CCC2)C(C)C)cc1 19310925 GBMUXDNENCLCQG-KBXCAEBGSA-N 287.403 3.865 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(N)ccc1C 19736084 WUFMKHBACSTNMJ-INIZCTEOSA-N 298.386 3.682 0 40 CHAB C[C@H]1CCCN([C@@H](CN)c2cccc(Cl)c2Cl)C1 19806667 GKTKLFLXYDSQAX-GWCFXTLKSA-N 287.234 3.725 0 40 CHAB CCOc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 19996637 QEESZQCWJJRHJR-UHFFFAOYSA-N 291.734 3.697 0 40 CHAB CCN(Cc1ccccc1)c1ccc(N)cc1Cl 20486180 JFILDNHUTPQFRL-UHFFFAOYSA-N 260.768 3.949 0 40 CHAB O=C(Nc1ccc(OC(F)F)cc1)c1ccsc1 22399227 FXZALBLGBRSQQH-UHFFFAOYSA-N 269.272 3.602 0 40 CHAB CN(Cc1ccsc1)C(=O)c1cn(C)c2ccccc12 24384783 OGELWCNUYFJFRQ-UHFFFAOYSA-N 284.384 3.512 0 40 CHAB CC(C)NC(=O)c1ccccc1SCc1cscn1 24716168 UWSKDBWIWCPURF-UHFFFAOYSA-N 292.429 3.574 0 40 CHAB FC(F)(F)c1cccc2nc(Cl)nc(Cl)c12 26894494 MGMZEWORTYBDQY-UHFFFAOYSA-N 267.037 3.955 0 40 CHAB O=C(CCc1cccnc1)Nc1cccc2c1CCCC2 29874679 YXUAVVSZKUQPEE-UHFFFAOYSA-N 280.371 3.532 0 40 CHAB Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccnc2)cc1 32754976 FJLMAHUIXMMANO-INIZCTEOSA-N 281.359 3.759 0 40 CHAB O=Cc1ccc2nc(-c3ccc(Cl)cc3)oc2c1 33420362 RGMXISBCMWDIEQ-UHFFFAOYSA-N 257.676 3.961 0 40 CHAB O=C(O)/C=C/c1ccc(-c2ccc(/C=C/C(=O)O)cc2)cc1 34530182 UQHRHUDMDDNWFJ-YDWXAUTNSA-N 294.306 3.549 0 40 CHAB Cc1ccc(C(=O)[C@H](C)Sc2nncs2)cc1C 35184799 WQHSDLICEQYUIL-JTQLQIEISA-N 278.402 3.518 0 40 CHAB CC(C)(C)C(=O)CCc1ccccc1Br 36988247 KYYOFMHRKRNDOY-UHFFFAOYSA-N 269.182 3.997 0 40 CHAB NCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 38072427 FWZOZONFFCDXPP-UHFFFAOYSA-N 267.250 3.711 0 40 CHAB Cc1ccc(CN(C)C(=O)COc2cc(C)ccc2C)cc1 38753392 KAJZWNDRWUCROS-UHFFFAOYSA-N 297.398 3.649 0 40 CHAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccccc1 44900522 ZEXQBHKFZIJDPK-HNNXBMFYSA-N 297.398 3.894 0 40 CHAB COc1cc(C(C)=O)ccc1Oc1nc2ccccc2o1 44974389 BGBRRGNZDOBQKD-UHFFFAOYSA-N 283.283 3.831 0 40 CHAB CCN(C[C@@H]1CCOC1)C(=O)Nc1c(C)cc(C)cc1C 47323681 JZHBUNYOIXVVPJ-HNNXBMFYSA-N 290.407 3.502 0 40 CHAB CC1CCC(N(Cc2nnsc2Cl)C2CC2)CC1 48331963 AURFQDVKPIJDIY-UHFFFAOYSA-N 285.844 3.735 0 40 CHAB Cc1cccc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)c1 56001056 CHLYDUIVRADOGR-KRWDZBQOSA-N 298.386 3.506 0 40 CHAB Sc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72216990 ONIYTUUGSULYPD-OAHLLOKOSA-N 270.401 3.707 0 40 CHAB CC[C@](C)(NC(=O)Nc1ccc(OC)nc1)c1ccccc1 72271493 TVUAMGLGQNTEAK-KRWDZBQOSA-N 299.374 3.537 0 40 CHAB O=C(O)c1cccnc1Nc1ccc(SC(F)F)cc1 73658745 DJCDVNIYBNBMRT-UHFFFAOYSA-N 296.298 3.838 0 40 CHAB COc1ccc([C@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 78459005 HLFJJDZJPWWLKF-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB COc1ccccc1C(=O)c1cccc(Cl)c1C 95916363 NUZHCCJHGRCULE-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB C[C@]1(CO)CCCN1Cc1cc(-c2ccccc2)cs1 97105386 RBJIXVSCCKJLCU-QGZVFWFLSA-N 287.428 3.762 0 40 CHAB CCN(CC)C(=O)Nc1cccc(OCC(C)C)c1 97453278 FQLCKNRAAUHUFI-UHFFFAOYSA-N 264.369 3.595 0 40 CHAB NN[C@H](c1ccc(Cl)cc1)c1ccccc1Cl 161779592 UONMCHBCGSNJSD-CYBMUJFWSA-N 267.159 3.546 0 40 CHAB CC(C)(C)c1cnc(CCc2nc(-c3ccccc3)no2)o1 193933902 ZSCGPKKFUKARJQ-UHFFFAOYSA-N 297.358 3.807 0 40 CHAB CC[C@@H](N[C@H](C)c1ccc(C)s1)c1cnn(C)c1 195540560 BUAUKORTRXMEAI-DGCLKSJQSA-N 263.410 3.592 0 40 CHAB CC(C)(C)c1ccc([C@@H](NN)c2ccccc2)cc1 199534387 LLDNYTAOWKIHNY-INIZCTEOSA-N 254.377 3.537 0 40 CHAB C[C@H](NC[C@H]1CCCO1)c1ccc(OC2CCCC2)cc1 225170489 GYUQTINHPPYZEQ-KBXCAEBGSA-N 289.419 3.838 0 40 CHAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)C(C)C 225230873 QLAJLUHWVVNCJQ-IUODEOHRSA-N 297.826 3.967 0 40 CHAB Cc1ccc(CCCNC(=O)NC2CCCCC2)cc1 225755203 APJMCAWWZZTGFU-UHFFFAOYSA-N 274.408 3.560 0 40 CHAB Cc1ccc(Cc2ccc(C=O)n2CC(C)C)cc1 226029388 HMUPUSQWJTVETI-UHFFFAOYSA-N 255.361 3.856 0 40 CHAB Nc1cc(-n2ccc3c2CCCC3)cc(C(F)(F)F)c1 228935692 SERVWTSOMHHBCK-UHFFFAOYSA-N 280.293 3.957 0 40 CHAB Cc1nn(C(C)C)cc1NCc1ccc(F)s1 256051615 JWHSJATYPAIFBU-UHFFFAOYSA-N 253.346 3.585 0 40 CHAB CC[C@@H](NC(=O)c1nccc2ccccc12)C(C)(C)C 518490041 SZSADTBGOJZDFN-CQSZACIVSA-N 270.376 3.789 0 40 CHAB COc1ccc(C2([C@@H](N)CC(C)C)CCC2)cc1F 1772714976 VSXPNDKEHRGMCC-HNNXBMFYSA-N 265.372 3.629 0 40 CHAB Cc1nnc(SCCCC(=O)c2ccc(F)cc2)s1 37485678 DFVSKXSMKKTUGT-UHFFFAOYSA-N 296.392 3.741 0 40 CHAB Cc1ccccc1N1C(=O)CS[C@H]1c1ccccc1 281111 UMGDKUCRWXACIQ-INIZCTEOSA-N 269.369 3.774 0 40 CHAB S=C1SC[C@@H](COc2ccc(Cl)cc2)S1 2048008 FDLRYHXQWUMPEZ-SECBINFHSA-N 276.835 3.852 0 40 CHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=O 3195884 QVDGMJYLEVIDOK-UHFFFAOYSA-N 288.656 3.665 0 40 CHAB CCOc1ccc(C(=O)c2ccc(OCC)cc2)cc1 1632838 XZNQFPSOLGYVDO-UHFFFAOYSA-N 270.328 3.715 0 40 CHAB CCSCCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 1665518 AHHCIGZRDUITRB-NWDGAFQWSA-N 256.411 3.521 0 40 CHAB C[C@H]1C(=O)OC[C@@H]1C(c1ccccc1)c1ccccc1 1734791 SORJRIYVSQTPMJ-CJNGLKHVSA-N 266.340 3.628 0 40 CHAB Cc1c(C(=O)NCCc2cccnc2)sc2ccccc12 23875144 YICXLQKAAJTPPR-UHFFFAOYSA-N 296.395 3.577 0 40 CHAB O=C(COc1ccc(Cl)cc1)NC1CCCCCC1 1016959 HQWUGGOTBJDKFS-UHFFFAOYSA-N 281.783 3.558 0 40 CHAB CC(=O)N1CCCC[C@H]1C12CC3CC(CC(C3)C1)C2 4967341 WQNDBMUHTOLQNW-KLZNEWFBSA-N 261.409 3.604 0 40 CHAB COc1cccc(NC(=S)Nc2cc(F)ccc2C)c1 6966931 ABABXJZLQXOWLB-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB Cc1ccccc1CNC(=O)c1ccc(Cl)cc1F 7965951 RLUBHDLHJWOGCN-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB CCOc1cccc(CNC2C3CC4CC(C3)CC2C4)c1 8325191 XNQVMEHSUSPDAA-UHFFFAOYSA-N 285.431 4.000 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 34868557 HZTMJYUGQMQDBE-ZMLRMANQSA-N 251.395 3.611 0 40 CHAB Cc1ccc(CNc2ccn([C@@H](C)c3ccccc3)n2)nc1 95418586 YHDHGVRDRZKMJV-HNNXBMFYSA-N 292.386 3.808 0 40 CHAB CN(C(=O)CCc1ccccc1)c1nc2ccccc2s1 12812532 OFSQUMAYCGYNHM-UHFFFAOYSA-N 296.395 3.892 0 40 CHAB CC(C)(C)N(Cc1cccc(F)c1)C(=O)c1ccccn1 95941689 GADKUWCWPFKNLX-UHFFFAOYSA-N 286.350 3.662 0 40 CHAB CCCNCC[C@H](c1ccco1)c1ccccc1OC 2451164 SNTRWRFPXFTCOV-HNNXBMFYSA-N 273.376 3.810 0 40 CHAB Cc1nc(NC(=O)c2ccc(-n3cccc3)cc2)sc1C 29581981 SIFYNOMPXUTVTN-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB O=C(c1ccc(CN2CCCCC2)cc1)C1CCC1 2514538 BYDFANUWRYHSCM-UHFFFAOYSA-N 257.377 3.655 0 40 CHAB Cc1ccc(C(=O)NCCSC(C)(C)C)cc1C 66738048 PIKNSDOGUMXLKX-UHFFFAOYSA-N 265.422 3.565 0 40 CHAB COc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccccc12 49580949 GMCKZEHFYUNGTD-ZIAGYGMSSA-N 297.398 3.967 0 40 CHAB Cc1cc(Cl)ccc1O[C@H](C(=O)O)c1ccccc1 19669932 YNXFAEHDDVUDKC-AWEZNQCLSA-N 276.719 3.853 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3nc(C)cn3c2)C1(C)C 65518287 ALDVBXYHIHRBQN-GDBMZVCRSA-N 297.402 3.820 0 40 CHAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1 14188136 HCLBWRWTHBCFLH-UHFFFAOYSA-N 288.778 3.682 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)CSc2ccc(F)cc2)[C@@H]1C 4564158 QDOIWNUTXCSQRE-JMSVASOKSA-N 295.423 3.859 0 40 CHAB CSc1cccc(NC(=O)c2ccc3nccnc3c2)c1 9446267 YMNMSWLJFFZKNV-UHFFFAOYSA-N 295.367 3.604 0 40 CHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 7386562 OTBVZHBBPFHTRN-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB Cc1nnc(CN(C/C=C/c2ccccc2)C(C)(C)C)o1 95428202 BQVRRSGKFKDJMS-DHZHZOJOSA-N 285.391 3.692 0 40 CHAB Fc1ccccc1CSc1nncn1-c1ccccc1 7982562 KDYRSQUSQYNOCV-UHFFFAOYSA-N 285.347 3.699 0 40 CHAB CCC[C@H]1CCCN(C(=O)CCc2nccs2)CC1 71845431 YWJMCSGWGTYUCB-ZDUSSCGKSA-N 280.437 3.505 0 40 CHAB Cc1cc([C@H](C)NCC[S@@](=O)C(C)(C)C)c(C)s1 95422601 KPJPXWRRBNRULJ-VOJFVSQTSA-N 287.494 3.563 0 40 CHAB CC(C)CCNCc1ccccc1Br 19912177 LYVGTLICXGLZBX-UHFFFAOYSA-N 256.187 3.585 0 40 CHAB Fc1ccc(NCc2csc(-c3ccco3)n2)nc1 95990019 UVWQBHRNMVVEJJ-UHFFFAOYSA-N 275.308 3.549 0 40 CHAB C[C@H](c1ccncc1)N(C)Cc1cc(-c2ccccc2)[nH]n1 97113694 ZBERBGNKTJBWOZ-CQSZACIVSA-N 292.386 3.665 0 40 CHAB COc1cc(C)cc2c(Oc3cccc(N)c3)ccnc12 64875330 LHCOVTPZYWUATD-UHFFFAOYSA-N 280.327 3.926 0 40 CHAB CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1 75093514 PFFFREGSLOBSEH-STQMWFEESA-N 283.824 3.744 0 40 CHAB c1ccc([C@@H]2C[C@@H]2CNc2cccc(-c3nc[nH]n3)c2)cc1 89828037 JYWRFNAJEBVZNX-WBVHZDCISA-N 290.370 3.687 0 40 CHAB O=C(O)c1cc(-c2cccc(Br)c2)ccc1O 49894094 FPWBGGYQYZJZTD-UHFFFAOYSA-N 293.116 3.520 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccc3nnsc3c2)c1 67320978 QSPQFDOOELPGCE-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB CCOc1ccc(N[C@H](C)c2ccccc2F)cc1CO 37901507 BYWUDUOHSQGRHW-GFCCVEGCSA-N 289.350 3.890 0 40 CHAB CCCCN1CCC[C@@H]1c1cnc(Cl)cc1C 72217845 XLJFJBKWYUYPCV-CYBMUJFWSA-N 252.789 3.980 0 40 CHAB Fc1cccc(-c2csc(Br)n2)c1 75842541 GDEGZJLWJLHUCE-UHFFFAOYSA-N 258.115 3.712 0 40 CHAB COC(=O)CN1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223187905 PDFWHWYTPFGDMR-JTQLQIEISA-N 281.783 3.605 0 40 CHAB COc1ccc(OC)c(NC(=O)Cc2ccc(C)cc2C)c1 224228989 WCJWCVIBUZUEOV-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB CCCCc1ccc(N(CC)CCCC(=O)O)cc1 225003759 NOYOKEZEUYZABM-UHFFFAOYSA-N 263.381 3.720 0 40 CHAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COCC)c1 224699887 FXMBDBXAFNQTKO-CYBMUJFWSA-N 293.407 3.540 0 40 CHAB CCCC[C@H](C)NC1CCN(Cc2ccccc2)CC1 34863335 XHOPTTCMNJMEQV-INIZCTEOSA-N 274.452 3.819 0 40 CHAB Cc1cccc(NC(=O)Nc2ccc(F)cc2F)c1 18176745 CMBMWUDHUSADQG-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB Cc1ccc([C@H](C)NC(=O)N(C2CC2)[C@@H](C)C2CC2)o1 73503413 IDSIAQYBKRXNFT-RYUDHWBXSA-N 276.380 3.622 0 40 CHAB Cc1ccc(CNc2ccc3c(c2)OC(F)(F)O3)o1 19913301 HPNJJDXMPUZXLL-UHFFFAOYSA-N 267.231 3.522 0 40 CHAB c1ccc(C2CC3(C2)CN(c2nccs2)C3)cc1 1889122708 HKJQXYOPZIAYAE-UHFFFAOYSA-N 256.374 3.527 0 40 CHAB O=C(NCCCc1ccccc1)c1cc2ccccc2o1 5443609 PXPZXPVWYBMBFX-UHFFFAOYSA-N 279.339 3.795 0 40 CHAB O=C1O[C@](c2ccccc2)(c2ccccn2)c2ccccc21 5593669 AELYKZWWNYMJIF-IBGZPJMESA-N 287.318 3.544 0 40 CHAB Cc1[nH]c2c(C)ccc(C)c2c(=O)c1CN1CCCC[C@H]1C 5800600 REGDHZGHWTUHJC-CQSZACIVSA-N 298.430 3.828 0 40 CHAB CCc1ccc(NC(=S)NC(C)(C)CC)cc1 13823529 BUYVGCKMFIOHNZ-UHFFFAOYSA-N 250.411 3.724 0 40 CHAB Cc1ccccc1SCC(=O)c1ccc(C(=O)O)cc1 28527126 DYVVBGGIUQTWKP-UHFFFAOYSA-N 286.352 3.668 0 40 CHAB O=C(c1ccco1)N(Cc1ccco1)Cc1cccs1 32667746 OBGTXOHUSGZMIU-UHFFFAOYSA-N 287.340 3.777 0 40 CHAB C[C@@H]1Cc2ccccc2[C@H](CCc2ccccc2)N1 3208771 GWHXMUJKGXTFTL-KDOFPFPSSA-N 251.373 3.895 0 40 CHAB biogenic c1ccc2c(c1)C[C@H](CN[C@H]1CCSc3ccccc31)O2 38009330 AVRZCZDPAKATHV-ZBFHGGJFSA-N 297.423 3.817 0 40 CHAB C[C@H]1C[C@H](C)CN(CCCCOc2cccc(C=O)c2)C1 217795431 PGVUUDCCVVLVQM-HOTGVXAUSA-N 289.419 3.636 0 40 CHAB CCCN(Cc1ccccc1)C(=O)Cc1ccccc1C 40162085 UYPIFTOHKQXNMP-UHFFFAOYSA-N 281.399 3.976 0 40 CHAB C[C@@H](C[C@@H](C)C(=O)Nc1ccccc1C(C)(C)C)C(=O)O 345915 WKPLLVBUQQDINJ-NEPJUHHUSA-N 291.391 3.670 0 40 CHAB O=C(CCc1cccc(Cl)c1)Nc1ccc(O)cc1 41413955 PGZPCZWEAVKASJ-UHFFFAOYSA-N 275.735 3.617 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(O)cc2)cc1 12482 NFTXIJBCWDLMMC-UHFFFAOYSA-N 269.344 3.942 0 40 CHAB in-vitro O=C(O)c1oc2ccccc2c1CSc1ccccn1 380710 JDVVQJAUTRWEIF-UHFFFAOYSA-N 285.324 3.818 0 40 CHAB CCOC(=O)CSc1nc2ccc(C)cc2cc1C 420909 FLGFTTRKHKYNHW-UHFFFAOYSA-N 275.373 3.507 0 40 CHAB O=C1O[C@@H](c2ccc(F)cc2)Sc2ccccc21 480495 TVFJQVVHUNHGJS-CQSZACIVSA-N 260.289 3.787 0 40 CHAB O=C(CSc1ccccc1)Nc1ccc(F)cc1F 578048 ZQTMIMKXCBGWJI-UHFFFAOYSA-N 279.311 3.696 0 40 CHAB CC(=O)NCC[C@@H]1[C@H](c2c(C)[nH]c3ccccc23)C1(C)C 1414673 VDKKKDCNGYVWHA-RHSMWYFYSA-N 284.403 3.742 0 40 CHAB biogenic COc1ccc2c(c1)C1(C)c3cc(OC)ccc3OC1(C)O2 1573258 WTKSFOBHXLTWDJ-UHFFFAOYSA-N 298.338 3.511 0 40 CHAB COc1ccc(CCC(=O)c2ccccc2C)cc1 2516542 YKSLSFJQKMKOES-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB CCCc1ccc(OCc2ccc(C(=O)O)cc2)cc1 3217857 JGCWCLCLHUPLGM-UHFFFAOYSA-N 270.328 3.916 0 40 CHAB CCCc1cc(C(=O)Nc2ccccc2C(F)(F)F)no1 3908964 OEDIHIBXVWUYGN-UHFFFAOYSA-N 298.264 3.898 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 4175382 CBMYJHIOYJEBSB-YPQZYRTGSA-N 292.463 3.751 0 40 CHAB O=C1CCC[C@H]2[C@H]1CCC[C@]2(O)CCc1ccccc1 4529725 NFYFKILLGXOWOJ-RYRKJORJSA-N 272.388 3.520 0 40 CHAB CCCCC[C@@H](C)NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)O 4651531 ZKMOMRBJRDQHJW-ILXRZTDVSA-N 295.423 3.519 0 40 CHAB CC[C@](C)(O)/C=C1/Oc2ccccc2[C@H]1N1CCCCC1 4653774 CAERQMOSJKWWFL-WWMCSRHNSA-N 287.403 3.651 0 40 CHAB CCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 4659247 GKUGCXMRECEWGF-UHFFFAOYSA-N 262.136 3.828 0 40 CHAB CC(=O)Nc1ccccc1OCc1cccc(C)c1 5111882 UWCPYILKROECHL-UHFFFAOYSA-N 255.317 3.532 0 40 CHAB CCCc1cc(=O)[nH]c(S[C@H](C)c2ccccc2)n1 5154772 KPMSCUGQLQDZIT-LLVKDONJSA-N 274.389 3.576 0 40 CHAB CC(=O)O[C@H]1CSc2sc(=S)sc2S1 5378791 PQGYKWPFXVZYFW-SCSAIBSYSA-N 282.458 3.626 0 40 CHAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 6021848 VLVHZTLEUSYGOP-NVLXPRRZSA-N 278.735 3.587 0 40 CHAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1 7597413 HRYXXSNAWBATCV-SNVBAGLBSA-N 294.276 3.591 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccccc1 7829348 JCYGOFRVIHBXRA-GWJCSSMESA-N 283.396 3.907 0 40 CHAB Cc1ccc2nc(C)c(CN3CCC[C@@H](C)C3)c(O)c2c1 8700917 ZPVMQCJVXWHUDI-CYBMUJFWSA-N 284.403 3.789 0 40 CHAB CC(C)c1n[nH]c(SCCOc2cccc(Cl)c2)n1 9313506 WAYGIJVPYLCUBS-UHFFFAOYSA-N 297.811 3.753 0 40 CHAB Cc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cc1 10449669 XRONTZFHMXDGKT-AYJWMTRPSA-N 277.367 3.986 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)C1CCCC1 11058880 YDLZZOIZMVWLMH-UHFFFAOYSA-N 283.375 3.618 0 40 CHAB CC(=O)N1c2ccc(-c3cc4ccccn4c3)cc2C[C@@H]1C 12235756 ZHLBNEBEKCGOOR-ZDUSSCGKSA-N 290.366 3.904 0 40 CHAB CC(=O)c1cccc(Oc2ncnc3ccccc23)c1 12895635 XMDKAUMIRIHZHA-UHFFFAOYSA-N 264.284 3.625 0 40 CHAB CCCCN(C)C(=O)c1csc(-c2cccs2)n1 12987162 BUZCUOSLEJKCRI-UHFFFAOYSA-N 280.418 3.744 0 40 CHAB CC(C)(C)C(=O)Nc1ccc2cc(C=O)c(Cl)nc2c1 13563134 FIGSWFZHXJKOHX-UHFFFAOYSA-N 290.750 3.685 0 40 CHAB COc1ccc(C)cc1NC(=S)Nc1ccc(F)cc1 13786395 FNCPXMMWKHFSGA-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CCC[C@H](C)NC(=S)Nc1ccc(CC)cc1 13821441 PSSKXZMLKIUXBF-NSHDSACASA-N 250.411 3.724 0 40 CHAB Cc1cc(C)cc(NC(=O)N2CCc3ccccc32)c1 16991071 HCKZLQZNLUTHGP-UHFFFAOYSA-N 266.344 3.898 0 40 CHAB COc1ccc2cc([C@H]3SCC(=O)N3C3CC3)ccc2c1 19926923 PJORIDJOWNBNQY-QGZVFWFLSA-N 299.395 3.585 0 40 CHAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1cccc(C)c1C 20495879 CQFOMMDZWLOPNH-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@H]32 20518126 WYJAPUKIYAZSEM-OALUTQOASA-N 294.398 3.775 0 40 CHAB biogenic Clc1ccc(-c2nc(-c3cccs3)no2)cn1 22120388 ZKTVMYRVWZGJTC-UHFFFAOYSA-N 263.709 3.514 0 40 CHAB O=C(O)c1cccnc1Nc1ccccc1C(F)(F)F 22146875 AVOIYIHMUQOMLT-UHFFFAOYSA-N 282.221 3.542 0 40 CHAB Cc1cc(C)c(NC(=O)c2cccc(C)n2)c(Cl)c1 24609185 ZQBWCDNCJNYDKR-UHFFFAOYSA-N 274.751 3.913 0 40 CHAB CC(C)c1ccc(Nc2nnc(-c3cccnc3)o2)cc1 27753030 KERKVCWRAAXKAP-UHFFFAOYSA-N 280.331 3.999 0 40 CHAB O[C@H]1CCC[C@@H](NCc2ccc(-c3ccccc3)s2)C1 37321144 QTVQWACWDSTERV-CABCVRRESA-N 287.428 3.808 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NOCc2ccccc2)o1 40012763 MITGEGVKAGHMIW-CJNGLKHVSA-N 299.370 3.584 0 40 CHAB Cc1ccc(NC(=O)NCCc2ccccc2F)cc1F 40098014 AAHASHDQJWXYKY-UHFFFAOYSA-N 290.313 3.637 0 40 CHAB Fc1ccc2c(Cl)c(Br)cnc2c1 41702306 LXUBHOHQRPBQPB-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB in-vitro Cc1ccsc1CNC(=O)Nc1c(C)cccc1C 43357573 JLJUAFWGUUPVKO-UHFFFAOYSA-N 274.389 3.995 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC(C)CC1 44846198 SFFWCWIYYXAHJJ-AWEZNQCLSA-N 295.810 3.756 0 40 CHAB Cc1noc(C)c1CN1CCC[C@@H]1c1cccs1 44871232 BJLCPHUITFRCGN-CYBMUJFWSA-N 262.378 3.690 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(CC(C)C)cc1 49870354 GVOHGYKYFCCFSL-UHFFFAOYSA-N 276.376 3.801 0 40 CHAB C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 55182974 KRIROHZWSALYAG-USJZOSNVSA-N 279.383 3.914 0 40 CHAB O=[S@](CCCOc1ccc(F)cc1)Cc1ccccc1 58132288 HDAVDYIGNUUUGZ-FQEVSTJZSA-N 292.375 3.544 0 40 CHAB CC(C)c1ccccc1NC(=O)NCc1ccccc1CO 58343718 NCWXSYMBTRSEBZ-UHFFFAOYSA-N 298.386 3.624 0 40 CHAB CC[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 60893751 DGVMMHFVJFILKI-XQQFMLRXSA-N 254.418 3.689 0 40 CHAB Fc1cc(F)c2nc(NCc3ccco3)sc2c1 61968145 NXWUHTGBBJECKG-UHFFFAOYSA-N 266.272 3.780 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccncc1 72211026 NBFSIJWSDJGMBW-INIZCTEOSA-N 282.343 3.555 0 40 CHAB COc1ccccc1[C@H](C)S[C@@H](C)c1nnc(C)o1 79010739 NIQYBBAGAAUXSB-UWVGGRQHSA-N 278.377 3.942 0 40 CHAB C[C@@H](N[C@@H]1CCCCc2ccccc21)c1cnn(C)c1 95421532 JCRHAKYNJRCVAR-CXAGYDPISA-N 269.392 3.538 0 40 CHAB O=C(/C=C/SCc1ccco1)Nc1cc(F)ccc1O 95443639 DSEZNPYSZUETQO-FNORWQNLSA-N 293.319 3.510 0 40 CHAB C[C@H]1CCCN(c2ccc(Br)c(F)c2)C1 95915904 QXFCUSRXLPFPQB-VIFPVBQESA-N 272.161 3.825 0 40 CHAB c1ccc(CNc2cccc(Oc3ccccn3)c2)nc1 97051003 GQOSFPXKLXFJBA-UHFFFAOYSA-N 277.327 3.881 0 40 CHAB Cc1oc(-c2ccsc2)nc1CN[C@@H](C)c1ccncc1 97370640 IEBVFHCFNSACSN-NSHDSACASA-N 299.399 3.957 0 40 CHAB CCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 113951402 HHSNFVIELGMGNV-INIZCTEOSA-N 271.360 3.523 0 40 CHAB Fc1ccc(Br)cc1OC1CCCC1 160496493 MSWDYNQRFFFHFM-UHFFFAOYSA-N 259.118 3.910 0 40 CHAB CC(C)(C)N(Cc1ccccn1)C(=O)[C@@H]1CC=CCC1 195577976 LFPPTALYRSCMEA-CQSZACIVSA-N 272.392 3.565 0 40 CHAB CCO[C@]1(C(=O)Nc2ccc(OC)cc2)CCC[C@@H](C)C1 225712454 YXOIHWLLQOQYFH-CXAGYDPISA-N 291.391 3.619 0 40 CHAB CN1CCC[C@H](Nc2cccc(Oc3ccccc3)c2)C1=O 537605173 PBCFMVXVTACBPO-KRWDZBQOSA-N 296.370 3.512 0 40 CHAB CC1CCC2(CC1)CCN(c1cc[nH]c3nccc1-3)C2 2037843761 HZZGUQIJCCBBON-UHFFFAOYSA-N 269.392 3.921 0 40 CHAB Fc1ccc(-n2c(Cc3ccsc3)n[nH]c2=S)cc1 158368 POPZTVULKOVMGH-UHFFFAOYSA-N 291.376 3.721 0 40 CHAB CCCCCSc1nc(-c2cccs2)n[nH]1 77896304 NLNUXKFLCRNEAH-UHFFFAOYSA-N 253.396 3.816 0 40 CHAB COc1ncc(Cl)c(N[C@H](C)c2ccccc2C)n1 79109319 ZKLWNZRDGXENNH-SNVBAGLBSA-N 277.755 3.620 0 40 CHAB COc1cc2cnc(-c3ccccc3)c(O)c2cc1OC 1565429 XKRXGOPDRWHCSD-UHFFFAOYSA-N 281.311 3.625 0 40 CHAB C[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccno1 3017444 AAVVHUKYGGKRSQ-MRVPVSSYSA-N 257.211 3.833 0 40 CHAB Clc1ccc(C2OCC3(CO2)C[C@@H]2C=C[C@H]3C2)cc1 3852124 DBIXZVCGKNOYQF-UXWRLGMKSA-N 276.763 3.968 0 40 CHAB C[C@@]12CC[C@H]3c4ccc(O)cc4C=C[C@@H]3[C@@H]1CC[C@@H]2O 4655204 VVLCELUSWGWMSW-KFGODFMUSA-N 270.372 3.690 0 40 CHAB Cc1cccc(NC(=O)c2cccnc2Cl)c1C 6317876 GYIOUKMHTNKHSX-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CCCNCc1ccccc1OCc1ccccc1 6430993 DOTQVYCNQKHGAJ-UHFFFAOYSA-N 255.361 3.765 0 40 CHAB O=Cc1ccc2c(c1)C[C@]1(C2)Cc2ccc3c(c2C1)CCC3 6513369 HVSQZGPCUBWINN-NRFANRHFSA-N 288.390 3.872 0 40 CHAB Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)O2)cc1Cl 6866131 CVHOMQNBSICWLK-MDWZMJQESA-N 287.702 3.586 0 40 CHAB CC[C@H](NC(=O)c1ccc(C)cc1)c1ccc(OC)cc1 7037302 JGCDZCSXXCWPOI-KRWDZBQOSA-N 283.371 3.885 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccccc1 7829344 JCYGOFRVIHBXRA-SBDDDAINSA-N 283.396 3.907 0 40 CHAB Cc1cccc(CC(=O)Nc2cc(C)ccc2C)c1 8382893 HBYIMPMPANNRRP-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB O=C(O)CCCC(=O)N(C1CCCCC1)C1CCCCC1 1506697 HIMPGWAEMWJIED-UHFFFAOYSA-N 295.423 3.735 0 40 CHAB CC(C)Oc1ccccc1NC(=O)NCc1cccs1 48193744 ZKGPROZNGBAAAK-UHFFFAOYSA-N 290.388 3.857 0 40 CHAB CN1[C@H]2C=C(c3ccc(C(F)(F)F)cc3)C[C@H]1CC2 104227808 DFCVUTKHIIFWKJ-ZIAGYGMSSA-N 267.294 3.955 0 40 CHAB CC(C)(C)C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20136862 CLJGASOUCVZLSO-UHFFFAOYSA-N 290.146 3.676 0 40 CHAB Cc1ccc(-c2csc(-c3cccc(C(N)=O)c3)n2)cc1 59018065 DKAYTSOPKLGJBQ-UHFFFAOYSA-N 294.379 3.884 0 40 CHAB COCc1ccccc1CNC(=O)Nc1c(C)cccc1C 48343883 CJDZGZAXJPFGQS-UHFFFAOYSA-N 298.386 3.772 0 40 CHAB Cc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 104589564 FIATXWHKLIQZDD-QAQJPARQSA-N 299.414 3.655 0 40 CHAB CCCC[C@@H](CC)CNC(=O)Cc1ccccc1C 58982930 GACYQWNQYVBILR-OAHLLOKOSA-N 261.409 3.870 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1ccc(Cl)cc1F 2657339 ZFGVHRYAMIKICR-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB Cc1cc(C)cc(NC(=O)Cc2ccccc2F)c1 3566033 JUXCDYUDNSITAD-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB C[C@@](N)(Cc1cccc(Br)c1)c1ccccc1 13888457 HAUFLNPHNKNKRR-OAHLLOKOSA-N 290.204 3.866 0 40 CHAB in-vitro Cc1nc2ccccc2n1C(=O)/C=C/c1ccccc1 4311802 PBZBYLDOQWXPFS-VAWYXSNFSA-N 262.312 3.698 0 40 CHAB CC(=O)NCc1ccc(-c2csc(-c3ccccc3)n2)o1 14183594 CPFOMPPJVVOTEP-UHFFFAOYSA-N 298.367 3.706 0 40 CHAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2C)c(C)c1 14202389 GKSHXABQFGNHSQ-INIZCTEOSA-N 297.398 3.868 0 40 CHAB CCONC(=O)c1cc(-c2ccccc2)nc2ccccc12 6663656 LYUFZDZNXDDCSF-UHFFFAOYSA-N 292.338 3.583 0 40 CHAB COc1ccccc1NCC(=O)c1ccc2c(c1)CCCC2 28247928 QLJZIXRLEFJYTH-UHFFFAOYSA-N 295.382 3.869 0 40 CHAB Cc1sc(NC(=O)[C@@H]2C[C@@H]2C)nc1-c1ccc(F)cc1 9452959 OQZRIJMNZRTWAE-QPUJVOFHSA-N 290.363 3.852 0 40 CHAB Cc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 15588768 ZLKHQTIKZVXLAD-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB O=C(c1ccccc1F)N1CCc2cc3ccccc3nc21 15841745 JRLDHONWRVSFPP-UHFFFAOYSA-N 292.313 3.577 0 40 CHAB Cc1cccc(C(=O)/N=c2/sc3ccccc3n2C)c1C 16035725 XVVXVUHAVZSIHG-ISLYRVAYSA-N 296.395 3.598 0 40 CHAB CC(=O)c1ccc(NCC(=O)Nc2c(C)cccc2C)cc1 7952815 RCZITOHZLJKGEK-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB Cc1[nH]c2ccccc2c1CC(=O)N(C)CC1CCCC1 69307740 YFQCBXDOEGVONB-UHFFFAOYSA-N 284.403 3.667 0 40 CHAB c1ccc2c(CCNc3ncnc4ccsc34)c[nH]c2c1 8750976 HJHIFJHFBCSDOA-UHFFFAOYSA-N 294.383 3.827 0 40 CHAB CC(C)N(Cc1csc([C@@H]2CCCO2)n1)C(C)C 97048560 IVEJFXRDRGRWNZ-ZDUSSCGKSA-N 268.426 3.613 0 40 CHAB CCOc1ncccc1[C@@H]1CCCN1Cc1ccccc1 72211828 SMRHPFVMGLYGHO-KRWDZBQOSA-N 282.387 3.817 0 40 CHAB C[C@]1(F)CCN(Cc2ccc(F)c(Br)c2)C1 501396679 VEPFMPRYWFGHGD-LBPRGKRZSA-N 290.151 3.522 0 40 CHAB Cc1ccc(Cl)c2sc(NC[C@H]3CCCO3)nc12 56900923 WADLHSXDNCFEIX-SECBINFHSA-N 282.796 3.849 0 40 CHAB COC(=O)[C@]1(C)CCC[C@]2(C)c3ccccc3CC[C@H]21 36450668 ZOUKXUZJBJOWQH-KBAYOESNSA-N 272.388 3.870 0 40 CHAB Clc1ccc(-c2cnc(-c3ccccn3)[nH]2)cc1 216624208 BBISBYXHIVTOTI-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB Cc1nc(C(=O)Nc2nc(C(C)(C)C)cs2)c(C)s1 79480043 XLMOVOJUSOKLOZ-UHFFFAOYSA-N 295.433 3.766 0 40 CHAB Cc1cccc([C@@H](O)c2cccc(Br)c2)c1 37465031 ZBMIXGKECIXMFV-CQSZACIVSA-N 277.161 3.839 0 40 CHAB CC[C@@H]1CCCCN1c1ccc(Br)cc1N 37082973 ZCCQPLLXUHHISP-LLVKDONJSA-N 283.213 3.800 0 40 CHAB Fc1ccccc1Oc1cncc(Br)c1 123979028 GHNIURFYAORNLS-UHFFFAOYSA-N 268.085 3.776 0 40 CHAB Cc1ccc(C)c(C(=O)Nc2c(F)cccc2F)c1 45829620 RMKVGHADURITDA-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)cc1C 225612653 MROFVWQNZKAPOP-QGZVFWFLSA-N 293.407 3.928 0 40 CHAB C[Si](C)(C)c1c(Cl)cc(Cl)c(C(=O)O)c1Cl 196206341 LDWRRMZDXWUFGP-UHFFFAOYSA-N 297.641 3.890 0 40 CHAB CC(C)CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 42672174 DFWHAMVORZZPSA-JTQLQIEISA-N 273.298 3.929 0 40 CHAB C[C@H](C1CC1)N(C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 69871562 UEHYBLBLTBWAPM-RISCZKNCSA-N 299.336 3.980 0 40 CHAB CCC[C@]1(CCNC(=O)c2ccco2)CCOC(C)(C)C1 96113840 XUJOFYLUHOFQKW-KRWDZBQOSA-N 293.407 3.775 0 40 CHAB biogenic C[C@H]1CCN(C(=O)CCc2ccco2)[C@@H](c2ccco2)C1 96441265 ZGQZSBFWERQWPH-DZGCQCFKSA-N 287.359 3.805 0 40 CHAB C[C@]12CC[C@@H]3[C@H](C[C@H](O)[C@]45C[C@@H]4CC[C@@]35C)[C@@H]1CCC2=O 257345939 NIDVKCKYZAQGOI-JWMKWPOPSA-N 288.431 3.569 0 40 CHAB COc1cccc(C(=O)c2ccc(Cl)cc2C)c1 95916454 SXRMVFAKDCWMBW-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB CC(C)COc1cccc(C(=O)C(F)(F)F)c1F 95732790 VMPDPPCJQDYNIJ-UHFFFAOYSA-N 264.218 3.606 0 40 CHAB O=C(Nc1cccc2cnccc12)N1CCc2ccccc21 43162574 TWERSJWRZCAADY-UHFFFAOYSA-N 289.338 3.829 0 40 CHAB C[C@H]1C[C@@H](C(=O)NCC2CCCCC2)c2ccccc2N1 37260070 IBMRHXQNKOLFAK-XJKSGUPXSA-N 286.419 3.671 0 40 CHAB O=Cc1cc2cc(F)cc(Br)c2s1 307351497 KJYHJCWZMQUPEF-UHFFFAOYSA-N 259.099 3.615 0 40 CHAB O=C(Cc1ccsc1)Nc1ccc(OC(F)F)cc1 5512218 OISHYSVRIYXXOV-UHFFFAOYSA-N 283.299 3.531 0 40 CHAB COc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1Cl 32925354 BKPPNHPZACCWAT-SNVBAGLBSA-N 282.771 3.612 0 40 CHAB Cc1cccc(-c2noc(-c3cc(N)ccc3Cl)n2)c1 37641954 VPPVUQJMFKIQFK-UHFFFAOYSA-N 285.734 3.948 0 40 CHAB c1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 1332178 IOLNTSWRRHTYGJ-UHFFFAOYSA-N 279.368 3.831 0 40 CHAB CN(C)Cc1ccccc1NC(=O)c1ccc(Cl)s1 31232841 JILISHGEDCWKCV-UHFFFAOYSA-N 294.807 3.715 0 40 CHAB O=C(Nc1ccc(F)cc1)N(Cc1ccco1)C1CC1 40494263 NLLLCIDGHFUSOU-UHFFFAOYSA-N 274.295 3.615 0 40 CHAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(Cl)s1 32037639 GTRHXQVIOZAYSO-NXEZZACHSA-N 269.797 3.935 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=S)Nc1ccccc1 102194722 POCWVXYCWXWCGM-MBNYWOFBSA-N 262.422 3.798 0 40 CHAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)C(C)C 342198 ILHCCTJQUVVPBC-NSHDSACASA-N 278.421 3.669 0 40 CHAB CC(=O)c1cccc(NC(=O)CCNc2ccccc2C)c1 33000700 CHGHWMMHZCFHOR-UHFFFAOYSA-N 296.370 3.638 0 40 CHAB CCN(CC)CCN(CC)Cc1cccc(Cl)c1 22044968 SIWGIVPIQPJUEH-UHFFFAOYSA-N 268.832 3.504 0 40 CHAB C[C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1 22174896 BKSGZJKHMCPCQK-SECBINFHSA-N 277.418 3.966 0 40 CHAB CCOC(=O)c1cc2c(ccc3c2c(C)c(C)n3C)nc1C 100167 XUZSCOVGCBIOHR-UHFFFAOYSA-N 296.370 3.828 0 40 CHAB CSc1nc(Cl)c2c(n1)N(c1ccccc1)CC2 1495556 XTIILQDRIQOHEE-UHFFFAOYSA-N 277.780 3.546 0 40 CHAB CCCCOC(=O)c1ccccc1C(=O)Nc1ccccc1 1667657 CGRUKAWUYUKARX-UHFFFAOYSA-N 297.354 3.896 0 40 CHAB O[C@](C[C@H]1CCCCN1)(c1ccccc1)C1CCCCC1 1843163 QUAWNUHPVGFJPP-RTBURBONSA-N 287.447 3.987 0 40 CHAB SC1=N[C@@H](c2ccccc2)C=C(c2ccccc2)N1 2481152 HFRXOUDZIXBXEH-CQSZACIVSA-N 266.369 3.658 0 40 CHAB COc1ccccc1C(=O)CCc1cccc(C)c1 2516414 LHFKDGNHUACKLM-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB O=C(Nc1ccccc1Cl)C(Cl)(Cl)Cl 3138959 HENRQLVYLRVVLA-UHFFFAOYSA-N 272.946 3.649 0 40 CHAB Cc1ccc(NC(=O)Cc2ccsc2)cc1Cl 3292596 MNIXWAOXQJETKE-UHFFFAOYSA-N 265.765 3.891 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCCC1 5670605 PYJQLYGERKVYQA-GQCTYLIASA-N 270.159 3.629 0 40 CHAB CC(C)(C)NC(=O)c1cccc(OCc2ccccc2)c1 7668502 GZPAXQFGGMTNSY-UHFFFAOYSA-N 283.371 3.794 0 40 CHAB CCCCNC(=S)Nc1cc(C)c(Cl)cc1OC 7982711 ARHYHAGQYNSLPH-UHFFFAOYSA-N 286.828 3.744 0 40 CHAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1C 8051677 RMLVQERIFGXDBD-UHFFFAOYSA-N 262.740 3.548 0 40 CHAB CCCCOCCCNc1ncnc2c1[nH]c1ccccc12 8690131 OQPUJJLSFGMYRJ-UHFFFAOYSA-N 298.390 3.730 0 40 CHAB Cc1ccc2[nH]c(SCc3cccc(C(=O)O)c3)nc2c1 8701160 MUVSIACOWODQGQ-UHFFFAOYSA-N 298.367 3.862 0 40 CHAB CC(=O)c1ccc(-c2ccccc2Br)o1 11690127 ZDCYWINZGLURJY-UHFFFAOYSA-N 265.106 3.912 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 12342293 ZCAFLKUJZUZMIA-YSVLISHTSA-N 298.430 3.891 0 40 CHAB CC1(C)O[C@H](c2ccccc2)[C@H]2C[C@@H]1CC[C@@]2(C)O 12654564 LEVCRGWPKKRIOU-KLZNWCGWSA-N 260.377 3.704 0 40 CHAB CC(C)CCNC(=O)[C@H](C)Oc1cccc2ccccc12 13709302 UMXZTFUZSWRUCE-AWEZNQCLSA-N 285.387 3.769 0 40 CHAB CC[C@H](C)NC(=O)N[C@@H](C)c1cccc2ccccc12 13746379 JRHMYBCSGUILSG-STQMWFEESA-N 270.376 3.999 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2)o1 18181043 DKYYYYWBJKLNLD-JTQLQIEISA-N 262.284 3.610 0 40 CHAB COc1ccc([C@H]2CCCN2C(=O)c2occc2C)cc1 21624434 AGHUDKCWIKEZDW-OAHLLOKOSA-N 285.343 3.574 0 40 CHAB Cn1ccnc1SCc1coc(-c2cccc(F)c2)n1 26015598 BNZKNOMZLHMDMA-UHFFFAOYSA-N 289.335 3.507 0 40 CHAB CC[C@H](C)NC(=O)Nc1c(C)cc(C)cc1Cl 32862254 NYTRUAKQNIMQNG-JTQLQIEISA-N 254.761 3.877 0 40 CHAB Cc1ccc(C(=O)c2c(F)cc(F)cc2F)cc1F 36942169 PVHPNTVBYKEORX-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB COC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1C 41080417 AYSCQDIZKNZQHZ-UHFFFAOYSA-N 290.750 3.761 0 40 CHAB CCCCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 48781933 AIMCMDOOPAHGCQ-CYBMUJFWSA-N 263.381 3.908 0 40 CHAB FC(F)(F)COCc1ccccc1Br 49600882 CBPGIKRSAZIISQ-UHFFFAOYSA-N 269.060 3.528 0 40 CHAB Cc1nc(Nc2ccc(F)cc2)nc(Cl)c1C 57331080 GXCRXDFXVDTHGZ-UHFFFAOYSA-N 251.692 3.630 0 40 CHAB Fc1cccc(Cl)c1CNCc1cccs1 57364357 WDZXRCICLGHWMX-UHFFFAOYSA-N 255.745 3.830 0 40 CHAB CC[C@H](C)C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 68563696 AQRWTIKKFFSMID-XJKSGUPXSA-N 297.402 3.793 0 40 CHAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 71860875 UFCJRJHVCUWNQI-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB COCc1nc(CN(CC2CCCCC2)C2CC2)cs1 72304866 ZJFWSVQBAIXABP-UHFFFAOYSA-N 294.464 3.834 0 40 CHAB COC(=O)C[C@@H](C)SCc1csc(-c2ccco2)n1 78816092 PNBCUPJBWXEATE-SECBINFHSA-N 297.401 3.588 0 40 CHAB C[C@H](NC(=O)NCc1cc2cc(F)ccc2s1)C1CC1 84636382 FBRBVSZARZTVFX-VIFPVBQESA-N 292.379 3.638 0 40 CHAB Nc1ccccc1-c1nc(C2CCCCCC2)no1 87945520 PQJUILKDJDSHQF-UHFFFAOYSA-N 257.337 3.757 0 40 CHAB Cc1csc(CN2CC=C(c3cccs3)CC2)n1 88600373 CVBCSFZUPWIQSF-UHFFFAOYSA-N 276.430 3.802 0 40 CHAB CCC[C@@H](O)c1ccc(OC(F)(F)F)c(F)c1 95740160 ODFKAWBEWBVQAK-SECBINFHSA-N 252.207 3.558 0 40 CHAB CC(C)(C)C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 96104048 IFSJDPHXVMXXCV-UHFFFAOYSA-N 289.423 3.538 0 40 CHAB Cc1cccc(NC2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 96420983 ARVDXOXVQMDDFW-INIZCTEOSA-N 298.430 3.754 0 40 CHAB Cc1ccc2c(c1)C(=O)[C@H]1CCN(c3ccccc3)C1=N2 100255543 IWAKVGDABZGZLT-CQSZACIVSA-N 276.339 3.748 0 40 CHAB in-vitro C[C@H]1CCCN([C@H](CN)c2ccc(Cl)c(Cl)c2)C1 108349953 QUIZRRFSKOTIJC-IINYFYTJSA-N 287.234 3.725 0 40 CHAB OCc1ccc(OCc2ccccc2)cc1C(F)(F)F 114413730 PZUDYOVZXZBMBO-UHFFFAOYSA-N 282.261 3.777 0 40 CHAB CCOc1ccc(C)cc1NC(=O)c1ccc(N)c(C)c1 216876936 JNQNLLQBZWNZPE-UHFFFAOYSA-N 284.359 3.537 0 40 CHAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccco3)N21 222651393 CWHZFDJQDFZJAF-NILFDRSVSA-N 299.399 3.654 0 40 CHAB Cc1ccccc1C(=O)NCCOc1ccccc1C(C)C 223743647 RTVWQSYVIDACLT-UHFFFAOYSA-N 297.398 3.927 0 40 CHAB CCN1c2cc(F)c(C(=O)O)cc2C(C)=CC1(C)C 223794443 OWMRWYQQHMSABF-UHFFFAOYSA-N 263.312 3.546 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)C(C)C 225217279 QIYPAQSTOFVEOV-ZBFHGGJFSA-N 277.408 3.622 0 40 CHAB O=C(CSCc1ccccc1)N1CCC(=C2CC2)CC1 238859968 KMBGYPANAXEHAJ-UHFFFAOYSA-N 287.428 3.633 0 40 CHAB Cc1csc(-c2noc(-c3cnc(C(C)C)s3)n2)n1 329726112 OKOADFLLIRDYAW-UHFFFAOYSA-N 292.389 3.748 0 40 CHAB CCC(C)(C)C(=O)c1ccc(OCCN2CCCC2)cc1 575358806 FCYMHQXKCBJSMQ-UHFFFAOYSA-N 289.419 3.780 0 40 CHAB CC(C)(C)OC(=O)N(CCC(=O)O)C1CCCCCCC1 582468938 IMBISCUQJSFYGK-UHFFFAOYSA-N 299.411 3.811 0 40 CHAB CO[C@H]1CN(C2CCCC2)CC[C@@H]1Cc1cccc(C)c1 1615086195 ZADUEZJXKKXXTO-MJGOQNOKSA-N 287.447 3.817 0 40 CHAB O[C@@H](c1cccc(-c2ccccc2)c1)C(F)(F)F 1857793248 WSWHSYRVPBWPPI-ZDUSSCGKSA-N 252.235 3.949 0 40 CHAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@@]12O 2049238337 HSOALUOHWZYSOE-QZIZDEJHSA-N 290.447 3.815 0 40 CHAB CC(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C 27698 NPJVGQHTXJHUEL-CXAGYDPISA-N 280.371 3.985 0 40 CHAB Brc1ccc(-c2csc3cccc[n+]23)cc1 157928 CUNGZYWVXODATH-UHFFFAOYSA-N 291.193 3.916 0 40 CHAB C[C@H](O)c1cccc(NC(=O)c2ccccc2Cl)c1 383819 SENXUERSHZAXOQ-JTQLQIEISA-N 275.735 3.646 0 40 CHAB O=C(Nc1cccc2ncccc12)c1ccccc1F 556434 MMUYQXSUHRBWPU-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB Cn1c(-c2ccccc2)cnc1NCc1cccc(F)c1 819072 WBEBPRGYZNTIRW-UHFFFAOYSA-N 281.334 3.838 0 40 CHAB FC(F)(F)c1cnc(Cc2ccccn2)c(Cl)c1 1396662 TUSQQMTZDSDQLK-UHFFFAOYSA-N 272.657 3.740 0 40 CHAB c1ccc(-c2ncc3c(n2)-c2ccccc2CC3)cc1 1401051 LXKBNVFKTUVRNQ-UHFFFAOYSA-N 258.324 3.909 0 40 CHAB COc1cccc(C(=O)CCc2cccc(F)c2)c1 2517320 JRHRTKLEEGYFNH-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB c1ccc2c(-c3cc[n+]4ccccc4n3)cccc2c1 2556055 QYHKTZFWVWTFAG-UHFFFAOYSA-N 257.316 3.641 0 40 CHAB C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 3158060 WCPDOFVPTAXHQT-JTQLQIEISA-N 277.726 3.970 0 40 CHAB S=C(Nc1cccc2cnccc12)NC1CCCCC1 3291988 MFCIVKUYZRWXRG-UHFFFAOYSA-N 285.416 3.854 0 40 CHAB Cc1cccc(C(=O)c2c(N)sc3c2CC[C@H](C)C3)c1 3338708 LVFUJBNKVVMXQX-NSHDSACASA-N 285.412 3.995 0 40 CHAB aggregator CC1(C)[C@@H]2CC[C@@]1(C)c1oc(=O)cc(Br)c12 3845424 YYXYYZKUGAWUQG-UHLUBPPHSA-N 283.165 3.577 0 40 CHAB C[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccn[nH]1 4024865 MRUBNWVKDLEZHK-MRVPVSSYSA-N 256.227 3.569 0 40 CHAB Cc1ccc(Cl)c2sc(NC(=O)C(C)C)nc12 4331258 MHYYHAFUZKWSJA-UHFFFAOYSA-N 268.769 3.853 0 40 CHAB NCc1ccc(-c2ccccc2C(F)(F)F)cc1 5766896 MBOVGJIFTRTTFH-UHFFFAOYSA-N 251.251 3.831 0 40 CHAB CCSc1ccccc1C(=O)Nc1nc(C)cs1 7069051 HCBSJAKOXGJCKY-UHFFFAOYSA-N 278.402 3.816 0 40 CHAB Cc1ccccc1CNC(=O)COc1ccccc1C(C)C 7976279 XFKYPDVZJXNTKY-UHFFFAOYSA-N 297.398 3.814 0 40 CHAB C[C@H](Sc1nnc(C(F)(F)F)n1C)c1ccccc1 8394096 XXHVMIXWOAHHTB-QMMMGPOBSA-N 287.310 3.687 0 40 CHAB O=C(O)c1cccnc1Oc1cccc2ccccc12 8729658 PZRYPZKCNVOEJD-UHFFFAOYSA-N 265.268 3.725 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccccc1SCCCC(=O)O 8732866 NBAAODCFUVLNIG-LLVKDONJSA-N 295.404 3.628 0 40 CHAB CSCc1cccc(C(=O)Nc2ncccc2C)c1 9752839 YNKWRHFAAZGVIM-UHFFFAOYSA-N 272.373 3.505 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 15389196 MFGKYUMBXJUOGE-LBPRGKRZSA-N 287.334 3.715 0 40 CHAB O=C(/C=C/c1cccs1)NCCc1c[nH]c2ccccc12 15616291 BGZWIUDYNZDNKQ-BQYQJAHWSA-N 296.395 3.602 0 40 CHAB c1cncc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)c1 19340019 ORANOHQLPZGECB-STQMWFEESA-N 299.424 3.576 0 40 CHAB C[C@H](NC(=O)c1ccco1)c1cccc(Br)c1 20025422 LPGDYLZNHBWGJY-VIFPVBQESA-N 294.148 3.533 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C 20044154 KGROHMIGIJUMEA-AWEZNQCLSA-N 283.371 3.963 0 40 CHAB CCCNC(=O)[C@H](CC)Sc1ccc(Cl)cc1 30852395 PLCXYQRSJMJXFX-LBPRGKRZSA-N 271.813 3.737 0 40 CHAB COc1ccccc1[C@@H](O)c1cccc(Br)c1 37532704 YLZNDGCMRCWQGX-AWEZNQCLSA-N 293.160 3.539 0 40 CHAB c1ccc2c(Oc3ccc(-n4ccnc4)cc3)ncnc2c1 40051237 GGNBBANKXXPEAB-UHFFFAOYSA-N 288.310 3.608 0 40 CHAB COCc1ccccc1CNC(=O)Nc1cccc(C)c1C 40095300 CRLOAIQFNKUFGL-UHFFFAOYSA-N 298.386 3.772 0 40 CHAB Cc1ccc(NC(=S)NCc2cccc(C)c2)cc1 44385802 FDLUJOQRSYBXMT-UHFFFAOYSA-N 270.401 3.790 0 40 CHAB Cc1ccc(CSCC(=O)N(C)Cc2ccccc2)cc1 50123709 SEQLSWFPNBUIKU-UHFFFAOYSA-N 299.439 3.887 0 40 CHAB N[C@@H](Cc1ccncc1)c1ccc(Cl)c(Cl)c1 53147433 QUBVJHGOAHVZSB-ZDUSSCGKSA-N 267.159 3.631 0 40 CHAB CCN(CC)C(=O)c1ccc2oc(-c3ccccc3)nc2c1 59843203 LFLWCZRTPYDAEH-UHFFFAOYSA-N 294.354 3.977 0 40 CHAB Cc1ccc([C@H](O)c2cc(F)c(F)c(F)c2)s1 63008362 BQNSGEXYYILSKG-GFCCVEGCSA-N 258.264 3.556 0 40 CHAB COc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72211747 WJCOUZYOAFPKMK-CYBMUJFWSA-N 292.379 3.552 0 40 CHAB CCN1CCCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 72218816 GQWRDJAZQAGEKG-MRXNPFEDSA-N 273.424 3.537 0 40 CHAB CCOC(=O)CCOc1cc(C(F)(F)F)ccc1Cl 75914350 RXPXGLNDGOYIBZ-UHFFFAOYSA-N 296.672 3.691 0 40 CHAB CCOCCn1c(C(CC)CC)nc2ccccc21 82087038 SHTFEGOGUQXSBS-UHFFFAOYSA-N 260.381 3.976 0 40 CHAB C[S@@](=O)c1cccc(NCc2cccc(Cl)c2)c1 89493279 ZIVXTIBRXQTONM-SFHVURJKSA-N 279.792 3.690 0 40 CHAB C[C@H]1CSc2ccccc2[C@@H]1NCc1cccnc1 95427019 RACKREXTFQOYNZ-BLLLJJGKSA-N 270.401 3.654 0 40 CHAB CC(C)(C)OC(=O)NCCCCSC(F)(F)F 95918457 FGJDMAFZMIWCLU-UHFFFAOYSA-N 273.320 3.544 0 40 CHAB COc1ccc(C)cc1[C@@H](C)NCc1nccn1C(C)C 95984324 VBCZSTVMKLQECB-CQSZACIVSA-N 287.407 3.632 0 40 CHAB CO[C@@H](C)c1cccc(NC(=O)NCC(C)(C)SC)c1 96434553 RKIRTOUYQNUGEC-NSHDSACASA-N 296.436 3.657 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)/C=C/c1ccc(F)cc1 96761833 LIRBZUZTXFSXDA-JLHYYAGUSA-N 297.373 3.976 0 40 CHAB CC1(C)O[C@H](c2ccccc2)[C@H]2C[C@H]1CC[C@@]2(C)O 100099094 LEVCRGWPKKRIOU-KCYZZUKISA-N 260.377 3.704 0 40 CHAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@H]1c1ccc(F)cc1 102193970 XWPUKPOIAAGVLC-CSFVBSKPSA-N 285.362 3.701 0 40 CHAB CCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)s1 102197674 WWLPNFYHGAJCAR-SFTQSGBHSA-N 277.433 3.865 0 40 CHAB O=C(c1cccc(F)c1)c1c[nH]c2ccc(F)cc12 111683105 WVJJLDSHBUKEIV-UHFFFAOYSA-N 257.239 3.677 0 40 CHAB O=[N+]([O-])c1ccccc1-c1cc(F)c(F)c(F)c1 116518517 LFADBBPCVQXYLW-UHFFFAOYSA-N 253.179 3.679 0 40 CHAB CC1=CC(C)(C)N([C@@H](C)C(=O)O)c2cc(C)c(C)cc21 223190818 NSLDEQPCOZREPH-ZDUSSCGKSA-N 273.376 3.778 0 40 CHAB CC(C)Oc1cccc(CCCNC(=O)C2CCCC2)c1 224156015 VVRPTAJHCXMWRX-UHFFFAOYSA-N 289.419 3.713 0 40 CHAB Cc1ccccc1[C@H](NC(=O)C(C)C)c1ccccc1 225281741 MOZAYXCJLFRWEG-QGZVFWFLSA-N 267.372 3.857 0 40 CHAB CC1(C)COc2ccc([C@H](O)c3ccccc3)cc2OC1 225356316 UXJFIZILMHFOKK-QGZVFWFLSA-N 284.355 3.566 0 40 CHAB O=C(Nc1ccccc1)N1CC[C@H](c2cccs2)C1 827907090 ICINEWIFLXMZGK-LBPRGKRZSA-N 272.373 3.770 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 281529 FFNQBCWXGWQYOV-VHSXEESVSA-N 271.813 3.735 0 40 CHAB O[C@@H]1c2c(ccc3ccccc23)CC[C@H]1N1CCCCC1 1569695 BYQHQQHJLPNULE-MJGOQNOKSA-N 281.399 3.674 0 40 CHAB CNc1nc(-c2cn(C)c3ccc(C)cc23)cs1 2209720 AWGOXAINDRQNJG-UHFFFAOYSA-N 257.362 3.652 0 40 CHAB COc1ccc(CCC(=O)c2cccc(C)c2)cc1 2516543 HNUKSLZHPCWLBH-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB CC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 3479655 RYYIHNUAOYOJBN-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB O=C(NCCc1ccccc1)c1cc2cc(Cl)ccc2[nH]1 4691540 VRRUQTGAZLTKSN-UHFFFAOYSA-N 298.773 3.794 0 40 CHAB CC(=O)CCCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H]1O 4727028 VOFBBQZXUQXUQN-BRWVUGGUSA-N 284.440 3.608 0 40 CHAB biogenic,in-vitro CC(C)(C)c1ccc(OCCO)c(C(C)(C)C)c1 5284285 KJOBWUJBJNWUMZ-UHFFFAOYSA-N 250.382 3.653 0 40 CHAB CCc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1Cl 6755002 WBGUFAYZIJZZTD-UHFFFAOYSA-N 299.757 3.632 0 40 CHAB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1 7597427 UDQCKVFLGIAZDO-SECBINFHSA-N 295.169 3.879 0 40 CHAB CCOc1ccc2ccccc2c1C(=O)Nc1cc(C)on1 8382747 SMDGJQWFBZKULY-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB Cc1ccc(NC(=O)N(Cc2ccccn2)C2CC2)cc1 8708552 AIZNQGBZRLCRBL-UHFFFAOYSA-N 281.359 3.587 0 40 CHAB COc1ccccc1NC(=O)c1ccc(-n2cccc2)cc1 9322046 CJDUOABHJBQZPA-UHFFFAOYSA-N 292.338 3.738 0 40 CHAB Cc1ccc(SCCNC(=O)c2cc(C)oc2C)cc1 9449362 ZSBSYUDJNAELLU-UHFFFAOYSA-N 289.400 3.727 0 40 CHAB CCCCN[C@H]1c2ccccc2C(=O)N1CCC(C)C 9730668 HUCLMIYAMYOHCF-MRXNPFEDSA-N 274.408 3.577 0 40 CHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(F)c1 11204188 QNUGTGQAHICEHH-INIZCTEOSA-N 269.319 3.707 0 40 CHAB Cc1cc(C(=O)CN2CCc3ccccc32)c(C)n1C1CC1 12565306 MAHCCMUHJPCPSH-UHFFFAOYSA-N 294.398 3.685 0 40 CHAB Cc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2C)cc1 12822251 GDNGTQVWIKTIAT-UHFFFAOYSA-N 297.402 3.552 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1C(F)(F)F 12857369 DUFCRFFCIIGWDL-WCBMZHEXSA-N 257.255 3.608 0 40 CHAB c1ccc(CC[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 13759674 MQSDETUOPVVJDT-UHFFFAOYSA-N 289.402 3.632 0 40 CHAB CCCCC(=O)N1CCc2cc3cccc(C)c3nc21 15841983 VDUZDCOGGHRMRL-UHFFFAOYSA-N 268.360 3.623 0 40 CHAB CC(C)Oc1ccccc1NCCOc1ccccc1 19737475 QUCJTWKBWHDJBK-UHFFFAOYSA-N 271.360 3.965 0 40 CHAB C[C@H]1CC=CC[C@H]1COCc1cccc(C(=O)O)c1 20519073 XXFBBSJHZMRSHZ-WFASDCNBSA-N 260.333 3.504 0 40 CHAB in-vitro CCOc1ccccc1-c1cn2nc(C3CC3)sc2n1 21174328 NHFNMBODMVAWBR-UHFFFAOYSA-N 285.372 3.734 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC1CCCCC1 22528682 IGQIHEZTEYEFCD-MRXNPFEDSA-N 289.419 3.910 0 40 CHAB Cc1cc(CSc2ncc(-c3ccc(F)cc3)[nH]2)no1 23055033 POAZPLGHEBWILK-UHFFFAOYSA-N 289.335 3.805 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1cc(C)on1 31094999 KBCTZXMMPWXUSA-NSHDSACASA-N 291.376 3.586 0 40 CHAB COc1cc2c(c(Oc3ccc(C)cc3)c1)CN(C)CC2 31949314 OLSLMBONCIOWEE-UHFFFAOYSA-N 283.371 3.784 0 40 CHAB CC(C)c1nc(CC(=O)N[C@@H](C)c2ccccc2)cs1 32477414 ODYDIMCLCDEYPN-LBPRGKRZSA-N 288.416 3.686 0 40 CHAB CC(=O)Nc1cccc(-c2cncc3ccccc23)c1 32541003 ZPTSUWZPJNYRJJ-UHFFFAOYSA-N 262.312 3.860 0 40 CHAB Cc1ccc(CNC(=O)NCCC2=CCCCC2)cc1 32862441 RBTDLKSWWJSXPP-UHFFFAOYSA-N 272.392 3.685 0 40 CHAB COc1ccc(C(=O)c2ccc(C)c(F)c2)cc1F 35423994 HTMNLUIGXPAEGS-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB Fc1ccc(F)c(-c2csc(C3CCNCC3)n2)c1 36176207 QWXXLZALHGKMOB-UHFFFAOYSA-N 280.343 3.555 0 40 CHAB C[C@@H](NCC[C@H]1CCCO1)c1ccccc1Cl 38095407 SDMYIDDJBLPLIS-VXGBXAGGSA-N 253.773 3.560 0 40 CHAB CC[C@H]1c2ccsc2CCN1Cc1cc(C)no1 40013625 AYLJLQMRAALWEC-ZDUSSCGKSA-N 262.378 3.554 0 40 CHAB Cc1cc(Br)cnc1N1CCCC[C@H]1C 42783629 TUBTXQSYOBRPMJ-SNVBAGLBSA-N 269.186 3.531 0 40 CHAB COc1ccc(-c2ccccc2)c(C(F)(F)F)n1 47211990 QNFBGBWZKDMGDY-UHFFFAOYSA-N 253.223 3.776 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc(Cl)nc2)cc1 49202928 KERCFOCGYMACOK-UHFFFAOYSA-N 261.712 3.687 0 40 CHAB CCOC(=O)/C(=C/c1cccs1)c1nc2ccccc2[nH]1 50985579 BAXFJTBNHNONAO-ZRDIBKRKSA-N 298.367 3.728 0 40 CHAB CN(C)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 51354407 FZNIPXIACVVAIJ-UHFFFAOYSA-N 291.301 3.675 0 40 CHAB O=C(c1cccc(F)c1)c1ccccc1OC(F)(F)F 55199067 JDUAYKAKTFHDPX-UHFFFAOYSA-N 284.208 3.955 0 40 CHAB Fc1cccc(-n2ccc(CN3CCc4ccccc43)n2)c1 64554771 UPENCOBCHZUVJK-UHFFFAOYSA-N 293.345 3.574 0 40 CHAB Cc1ccoc1C(=O)N[C@H](C)c1ccc(Cl)s1 65608453 BWFXNWQKLAXTOU-MRVPVSSYSA-N 269.753 3.794 0 40 CHAB COc1ccc(-c2cnoc2-c2ccc(OC)c(O)c2)cc1 66078473 JTQKACYQFFRVPN-UHFFFAOYSA-N 297.310 3.731 0 40 CHAB O=C([C@H]1CCOC1)N1CCC[C@H]1c1cccc2ccccc12 71834713 KLUXZOJIVMEHPP-YJBOKZPZSA-N 295.382 3.540 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(F)c1 78536234 SUCGGFOWDYYZGR-MRXNPFEDSA-N 287.334 3.930 0 40 CHAB O=[S@@](Cc1ccccc1)Cc1cccc(OC(F)F)c1 78556020 RYRHOVNXEBDHCK-HXUWFJFHSA-N 296.338 3.737 0 40 CHAB COC(C)(C)c1noc([C@@H]2C[C@H]2c2ccccc2C)n1 85237854 VHYUZQQJXWAQAN-QWHCGFSZSA-N 272.348 3.531 0 40 CHAB CCC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 96001300 IJNFILPJNJWKMY-AWEZNQCLSA-N 299.374 3.590 0 40 CHAB C[C@H]1CC[C@H]1COc1cccc(Br)c1 96526380 DHBMWRKKVRQTQA-UWVGGRQHSA-N 255.155 3.874 0 40 CHAB c1ccc(N2C34[C@H]5CC[C@@H](C5)C23[C@@H]2CC[C@@H]4C2)cc1 101003381 QPYBRXVRASWGTM-NRVRLIFPSA-N 251.373 3.844 0 40 CHAB CCOC(=O)/C=C1\N[C@]2(C)CCCC[C@@H]2c2ccccc21 103548165 OZRYCWIDQSCEPD-KFLIEBISSA-N 285.387 3.610 0 40 CHAB Cc1ccccc1Oc1cncc(Br)c1 123980493 HTSDPKXNEFWJPP-UHFFFAOYSA-N 264.122 3.945 0 40 CHAB Cc1cccc([C@@H](O)CN[C@@H]2CCCNc3ccccc32)c1 193027383 URJHURDWQYJVKV-MOPGFXCFSA-N 296.414 3.565 0 40 CHAB Oc1c(Br)ccc(Br)c1Cl 196719859 OUASGXXYVNPPNZ-UHFFFAOYSA-N 286.350 3.571 0 40 CHAB CCOC(=O)c1ccc(C(C)(C)C)nc1-c1ccncc1 199568086 FNXXKVRASMYPNM-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB O=C(CC1CCCC1)N1CCS[C@H](c2ccco2)CC1 207006224 MWWCWRINQXVRIQ-HNNXBMFYSA-N 293.432 3.867 0 40 CHAB CC1=CC(C)(C)N([C@@H](C(=O)O)C(C)C)c2ccc(F)cc21 223209238 XBXBTQCGQJWJAT-OAHLLOKOSA-N 291.366 3.937 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3)o2)C1 226301594 IGWMOTYUURKSKU-STQMWFEESA-N 298.386 3.647 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(F)cc1 247976943 DCENHGZVVNSKFP-FZMZJTMJSA-N 281.396 3.613 0 40 CHAB COC(=O)[C@H](C)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260613155 DEJUSQISLVHUNU-MNOVXSKESA-N 295.810 3.994 0 40 CHAB CCC[C@H](C(=O)c1ccc2c(c1)CCC2)N1CCCC1 299817224 NBZPCEWLKPSIIL-QGZVFWFLSA-N 271.404 3.623 0 40 CHAB in-vitro Cc1cc2occ(-c3ccc(N)cc3)c(=O)c2cc1C 390828913 VIOBHXQBMDODGY-UHFFFAOYSA-N 265.312 3.659 0 40 CHAB O=C(c1ccc(OC(F)(F)F)c(F)c1)C(F)(F)Cl 575242644 BKBKAYVHJSOZQI-UHFFFAOYSA-N 292.562 3.739 0 40 CHAB CCc1c(C(F)F)[nH]c2ccc(SC)cc2c1=O 685937904 ADGYKTOFQALSOK-UHFFFAOYSA-N 269.316 3.750 0 40 CHAB CCOC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)on1 1857794107 OUSQPQDQSLWAGW-UHFFFAOYSA-N 297.310 3.680 0 40 CHAB CC(C)c1noc(CN2CC3(CC(c4ccccc4)C3)C2)n1 1889109993 OGVDOSRFNRWPCX-UHFFFAOYSA-N 297.402 3.573 0 40 CHAB C[C@@H](c1ccccc1)N1CCC(Oc2nccs2)CC1 2086884655 DIPHSAWPNCAGCO-ZDUSSCGKSA-N 288.416 3.748 0 40 CHAB CC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)c(O)c1 121971 SNYMPXNYSKTBMK-UHFFFAOYSA-N 296.326 3.776 0 40 CHAB CCN1C=C(c2csc(C)n2)[C@@H](c2ccccc2)NC1=O 12323462 NFDVUUIMJUSTKA-OAHLLOKOSA-N 299.399 3.579 0 40 CHAB CC(=O)c1ccc(OC(=O)Oc2ccc(C(C)=O)cc2)cc1 1701235 HCENCLWAKGYVIF-UHFFFAOYSA-N 298.294 3.670 0 40 CHAB c1ccc([C@H]2Nc3ccccc3[C@H]3OCC[C@@H]23)cc1 3905453 LZVNOMSZAGXFQZ-USXIJHARSA-N 251.329 3.931 0 40 CHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccccc3)[C@@H]1[C@H]2C 4026977 PLYQNNOXZOYWGG-QJESEZNXSA-N 272.388 3.585 0 40 CHAB biogenic O=C(O)c1ccccc1Cc1nc2ccccc2s1 4218292 GUGMOJJRLDQPQR-UHFFFAOYSA-N 269.325 3.585 0 40 CHAB Cc1cccc(Cl)c1NC(=S)NCc1ccco1 6491204 OFERYRCHLLKXLL-UHFFFAOYSA-N 280.780 3.728 0 40 CHAB c1ccc(C(NCc2cccnc2)c2ccccc2)cc1 55421190 VUMFRCXZSJZSQT-UHFFFAOYSA-N 274.367 3.961 0 40 CHAB COC(=O)c1ccc(Oc2ccc(C)c(C)c2)cc1 8433926 XRAZQZVMTFMKKM-UHFFFAOYSA-N 256.301 3.882 0 40 CHAB Cc1ccsc1C(=O)N[C@@H](C)c1cccs1 25314054 TZQXNLPVOCEZSO-VIFPVBQESA-N 251.376 3.609 0 40 CHAB COC(=O)c1ccc(-c2ccc(Br)cc2F)o1 20160032 LGXCQOOIOZJOSF-UHFFFAOYSA-N 299.095 3.635 0 40 CHAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 9816762 PUEULYHDHQHWAG-AWEZNQCLSA-N 299.370 3.800 0 40 CHAB Cc1cccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11128537 LYMQEIUCIZDUGY-QGZVFWFLSA-N 298.361 3.566 0 40 CHAB CN(C(=O)c1ccccc1F)c1ccc(N2CCCC2)cc1 10113713 QERPRDWAZWRZHK-UHFFFAOYSA-N 298.361 3.703 0 40 CHAB CC(C)Sc1nc(-c2ccc(Br)cc2)n[nH]1 12814342 DTQHNULXCCIZPI-UHFFFAOYSA-N 298.209 3.735 0 40 CHAB Cc1cccc(C)c1C(=O)c1ccc(CN2CCC2)cc1 2514623 DYOVQFRSFDJVBM-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB CCOc1ccccc1NC(=O)C1(c2ccc(F)cc2)CC1 21695603 BHGDWFYFIHKHLS-UHFFFAOYSA-N 299.345 3.895 0 40 CHAB CCOc1ccc(OCC)c(NC(=O)[C@H]2CC=CCC2)c1 13003549 PXUUFEAKVKELNT-ZDUSSCGKSA-N 289.375 3.779 0 40 CHAB CC(=O)N(C)Cc1ccccc1NCc1c(C)cccc1C 95399417 CBPFWWNVHUDJMZ-UHFFFAOYSA-N 296.414 3.894 0 40 CHAB Cc1c(N)cccc1NC(=O)c1ccccc1OCC(C)C 19736321 ZJUNTTVZEPBTAE-UHFFFAOYSA-N 298.386 3.864 0 40 CHAB CC[C@](C)(CC(=O)O)Cc1nc2ccccc2s1 4206695 GIBIKRFPDXOAHN-AWEZNQCLSA-N 263.362 3.730 0 40 CHAB Cc1cccc(C)c1NC(=S)N1CCCCCC1 5559547 RVVOXVPZROWMFT-UHFFFAOYSA-N 262.422 3.876 0 40 CHAB CN(C)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1 6637797 FNLBLNIPEHDQMR-UHFFFAOYSA-N 273.763 3.633 0 40 CHAB Cc1nc(-c2cccs2)sc1C(=O)NCC(C)C 9450242 ZUTIRWVPZBIUDV-UHFFFAOYSA-N 280.418 3.566 0 40 CHAB CC(C)(C)OCc1cccc(CNCc2cccnc2)c1 71854226 XTPYUSHHEOHLFO-UHFFFAOYSA-N 284.403 3.687 0 40 CHAB Nc1cccc(Oc2ccc(OC(F)(F)F)cc2)c1 115638154 QCOLYBVFYAUYMM-UHFFFAOYSA-N 269.222 3.960 0 40 CHAB CC(C)CCc1nnc(NCc2cccc3cnccc23)o1 97083512 GCNXQFJWGCEMSO-UHFFFAOYSA-N 296.374 3.819 0 40 CHAB COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cccc(Cl)c1 95976357 FYPFAQHQWKPDAJ-GOEBONIOSA-N 295.810 3.552 0 40 CHAB Cc1ccccc1C(=O)NCCSCc1cccs1 408908161 UKLWQIJEEMNUMJ-UHFFFAOYSA-N 291.441 3.720 0 40 CHAB Cc1cc(C(=O)N(Cc2ccoc2)C2CCCCC2)no1 76021937 YLZKVLTVRRZZPT-UHFFFAOYSA-N 288.347 3.551 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1OC 20037055 OSXARYKWWHMLSM-HNNXBMFYSA-N 299.370 3.800 0 40 CHAB Nc1cc(Br)ccc1SC(F)(F)F 36819376 IABMSAKYOXNHCA-UHFFFAOYSA-N 272.089 3.643 0 40 CHAB CO[C@@H](CNC(=O)c1cccs1)c1ccccc1Cl 121969095 VUDXPQHVBPZDAB-LBPRGKRZSA-N 295.791 3.519 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(N2CCCC2)nc1 72215928 QUDITTSCFOGEQE-INIZCTEOSA-N 273.424 3.619 0 40 CHAB CCCCCC(=O)Nc1ccccc1NC(=O)NC(C)C 47375249 QODPERCMTRCXLD-UHFFFAOYSA-N 291.395 3.735 0 40 CHAB O=C1CCCC[C@H]1Cc1ccc(Br)cc1 41384419 YZQKJNNWDKACPT-NSHDSACASA-N 267.166 3.751 0 40 CHAB Cc1ccccc1C(=O)c1ccccc1Br 43210200 BJAZHEPWAZEPMU-UHFFFAOYSA-N 275.145 3.989 0 40 CHAB O=[S@@](CC[C@@H]1CCCCO1)Cc1ccccc1Cl 225621510 GHJIAMZEDRPQBR-UGSOOPFHSA-N 286.824 3.548 0 40 CHAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccs1 40106903 WFWJFYVVLDFSES-LLVKDONJSA-N 293.819 3.691 0 40 CHAB O=Cc1cn(C(=O)OCc2ccccc2)c2cc(F)ccc12 199814441 NRHLXUXOCFXLCA-UHFFFAOYSA-N 297.285 3.778 0 40 CHAB CC[C@@H](C)Nc1nc(Cl)nc(Nc2cccc(F)c2)n1 228932425 JTBUXQJDNQDXPZ-MRVPVSSYSA-N 295.749 3.618 0 40 CHAB O=C(O)/C=C/c1ccc(F)c(Oc2ccccc2)c1 44214321 HKHOWWNSOOXVDB-VQHVLOKHSA-N 258.248 3.716 0 40 CHAB Cc1nnc(CSc2ccc(Cl)c(Cl)c2)o1 98013841 CWEDDZUELMQAPL-UHFFFAOYSA-N 275.160 3.977 0 40 CHAB CO[C@H](C)c1nc(Cl)cc(-c2cccs2)n1 96529059 ZMLLTMVXMWXNQK-SSDOTTSWSA-N 254.742 3.566 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)Cc2ccoc2)cc1C 84868523 XBJVENUNTRYWCC-CYBMUJFWSA-N 272.348 3.649 0 40 CHAB CCCN(c1ccc(C(C)C)cc1)[C@H](CC)C(=O)O 260679535 QVARJNBDDPOUHL-OAHLLOKOSA-N 263.381 3.890 0 40 CHAB COc1ccc(OCCCC(=O)Nc2cccc(C)c2)cc1 5558340 DIZCWAWUAMMAGU-UHFFFAOYSA-N 299.370 3.801 0 40 CHAB CC(=O)Nc1ccc(/C=C\c2ccccc2NC(C)=O)cc1 13404252 NFULWUIXPPQFKX-YFHOEESVSA-N 294.354 3.774 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccccc2C)c1 13710373 KERVYKJAUHVGEB-INIZCTEOSA-N 297.398 3.696 0 40 CHAB Cc1ncc(C(=O)Nc2c(C)cccc2C(C)C)c(C)n1 19937117 AALKVUVRLPSDCB-UHFFFAOYSA-N 283.375 3.778 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1cccc(OC)c1 5597362 QBLUXQUADZITNK-ZDUSSCGKSA-N 263.381 3.641 0 40 CHAB c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2NCc2ccccn2)cc1 19373728 UTMCZKMWHNMOGX-FCGDIQPGSA-N 278.399 3.754 0 40 CHAB CC(=O)c1ccc(-c2cnc(NC3CCCC3)nc2)cc1 1888913549 FLLZUXJFPBXACH-UHFFFAOYSA-N 281.359 3.701 0 40 CHAB CCCCCC(=O)Nc1sc2c(c1C(=O)O)CCCC2 2286837 HUBQMRZLASYCLH-UHFFFAOYSA-N 295.404 3.844 0 40 CHAB Cc1ccc(C[C@H]2CCC[C@@H]3CN(C(C)C)C[C@@H]32)nc1 2037835109 ZNOYZELIOPVMEQ-JFIYKMOQSA-N 272.436 3.689 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(C)c1 4317887 GZHPGGSHLXIGCX-OAHLLOKOSA-N 284.384 3.754 0 40 CHAB Cc1nc2sc(-c3ccon3)c(N)c2c(C)c1Cl 6668332 GOTACBYSVSZDQA-UHFFFAOYSA-N 279.752 3.804 0 40 CHAB O=C1C[C@H](c2ccsc2)c2c(-c3ccccc3)n[nH]c2N1 9110407 WEBWRLRWQDQEKH-GFCCVEGCSA-N 295.367 3.612 0 40 CHAB Cc1ccc(F)cc1NC(=O)N1CCCCCC1 40526001 RZGIVQDIHHTHPB-UHFFFAOYSA-N 250.317 3.542 0 40 CHAB COc1cccc(C(=O)Oc2cc(C)ccc2C)c1 363353 HIDOQQLXTRDHNI-UHFFFAOYSA-N 256.301 3.531 0 40 CHAB CCN(CC)c1ccc(NC(=O)C2CCCC2)c(C)c1 364271 RTQZMALGFNROKF-UHFFFAOYSA-N 274.408 3.970 0 40 CHAB Cc1csc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)n1 21451377 YEXDGRXUOIDYAT-YUSALJHKSA-N 298.477 3.627 0 40 CHAB O=C(Nc1ccc(Cl)cc1Cl)c1cccnc1 29321 LVAIAQLHWYBDNY-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C)CC1 95803 LWIOGRQDRREVFD-UHFFFAOYSA-N 284.359 3.522 0 40 CHAB Cc1ccc(-c2nn3c(S)nnc3c3ccccc23)cc1 126570 ZVSJPVIVXBSTFS-UHFFFAOYSA-N 292.367 3.542 0 40 CHAB c1ccc2c(c1)Sc1ncccc1-c1cncnc1-2 346703 INTYVBKNMMUUKZ-UHFFFAOYSA-N 263.325 3.670 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2cccnc2Cl)c1 496656 JWMZORXHJLUUGO-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB O=C1NC(=O)/C(=C/c2ccc3oc4ccccc4c3c2)S1 1444263 DJDKKCWXOMLADB-ZSOIEALJSA-N 295.319 3.910 0 40 CHAB COc1cc2c(Cc3ccccc3)cncc2cc1O 1569564 USFPJPKIOKKADL-UHFFFAOYSA-N 265.312 3.540 0 40 CHAB biogenic c1ccc(C[C@@H]2CCC[C@@H](Cc3ccccc3)N2)cc1 1747056 VFXVLYPQEFIYDB-OALUTQOASA-N 265.400 3.983 0 40 CHAB C[C@H]1C[C@H](NC(=O)[C@]2(C)CC2(Cl)Cl)CC(C)(C)C1 2115699 RJOWTKXJOABMPB-KWBADKCTSA-N 292.250 3.901 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc(O)c2ccccc12 2527121 GDVXBLGVBZJTCC-UHFFFAOYSA-N 259.305 3.892 0 40 CHAB Cc1ccc(F)cc1NCC(=O)Nc1ccccc1Cl 3398456 ZETJLJVLOUPVQD-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB CC(=O)Nc1ccccc1/C=C/c1nc2ccccc2[nH]1 3845342 ZYVVMFVQGMGZOQ-ZHACJKMWSA-N 277.327 3.692 0 40 CHAB Cc1cc(Sc2ccc(N)cc2)n(-c2ccccc2)n1 3852626 GSLZQMHRJJSMBO-UHFFFAOYSA-N 281.384 3.914 0 40 CHAB biogenic Cc1cccc(C(=O)O[C@H](C)CN2[C@@H](C)CCC[C@@H]2C)c1 3904887 CDLAWMHMQXCIAA-HRCADAONSA-N 289.419 3.803 0 40 CHAB CCC(=O)N1c2ccccc2[C@H]2OCC[C@H]2[C@@H]1c1ccco1 4044933 GMILVLBJMWHFQE-MORSLUCNSA-N 297.354 3.855 0 40 CHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCCCC1 4671793 DLCNLZDTVVXRJU-UHFFFAOYSA-N 288.366 3.561 0 40 CHAB C[C@@H](CC(=O)O)CC(=O)N(c1ccccc1)c1ccccc1 4680806 BTCAWNFNFFMXRJ-CQSZACIVSA-N 297.354 3.852 0 40 CHAB CSc1ccc(COc2ccccc2NC(C)=O)cc1 5111876 SDLGWAVVPMDFNL-UHFFFAOYSA-N 287.384 3.946 0 40 CHAB C[C@H]1CCc2sc(C(=O)N[C@@H](C)c3ccco3)cc2C1 8360193 ZNRNASUMBNXLDF-QWRGUYRKSA-N 289.400 3.957 0 40 CHAB O=C(N[C@H](c1ccccc1)c1cccs1)c1ccco1 9114441 HYKVBGJEMYSDED-OAHLLOKOSA-N 283.352 3.861 0 40 CHAB CC1=CC(C)(C)N(C(=O)c2ccco2)c2ccc(O)cc21 9287384 DIPGXNOVORMACR-UHFFFAOYSA-N 283.327 3.828 0 40 CHAB CC(=O)c1ccc(OCC(=O)c2ccc(Cl)s2)cc1 9453087 PZKGCLZDTGZESD-UHFFFAOYSA-N 294.759 3.866 0 40 CHAB S=C(Nc1ccc(Cl)cc1Cl)N1CCCC1 13825750 YXJAKXMZWKKYOC-UHFFFAOYSA-N 275.204 3.786 0 40 CHAB C[C@H](NC(=O)Cc1ccccc1)c1cc2ccccc2o1 14198420 XTIJIFPIRJKVAI-ZDUSSCGKSA-N 279.339 3.853 0 40 CHAB COc1ccccc1NC(=O)N[C@H]1CCCc2ccccc21 15952137 HDFRNVHMBYRTNJ-HNNXBMFYSA-N 296.370 3.894 0 40 CHAB CCCCc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 17023874 IFIZDIFWNMWAJQ-CQSZACIVSA-N 295.448 3.592 0 40 CHAB O=C(Nc1cccc(F)c1)Nc1cc(F)ccc1F 19075412 BBKBGOSJSWILFU-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB Cn1ccc([C@H]2CCCCCN2Cc2cccc(F)c2)n1 19291083 DOEWEXJFCIZZGY-QGZVFWFLSA-N 287.382 3.677 0 40 CHAB NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 20136343 VIVBJCORTAIBRT-ZZXKWVIFSA-N 282.126 3.752 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(Cl)c(Cl)c1 23977102 WPYGIYYKMJVDMB-KHQFGBGNSA-N 272.175 3.827 0 40 CHAB COCc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 25335600 RPFIYYDNICUXOG-SJORKVTESA-N 299.345 3.714 0 40 CHAB O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ccccc1 25463512 MVTBBLXGPHYJBR-HNNXBMFYSA-N 282.343 3.529 0 40 CHAB CC(C)CNC(=O)/C(=C/c1ccco1)c1ccccc1 28219533 SFUXBGGVVMXWFT-LFIBNONCSA-N 269.344 3.592 0 40 CHAB CC(C)=CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 30765069 AAQSJHJWVBLDTR-JISDDCRVSA-N 261.409 3.674 0 40 CHAB O=C(CCCc1nc2ccccc2[nH]1)Nc1ccc(F)cc1 32827526 ODXLYIFVTQWLHT-UHFFFAOYSA-N 297.333 3.663 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCc2ccccc2)o1 40012158 DVMOMKCRNOGCBR-RHSMWYFYSA-N 297.398 3.695 0 40 CHAB Clc1nccc(Oc2cccc(Br)c2)n1 40448043 DMERUVIIZWJDCR-UHFFFAOYSA-N 285.528 3.685 0 40 CHAB Cc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478312 KUSARVOATDFIHW-UHFFFAOYSA-N 295.317 3.777 0 40 CHAB CCN(CC)C(=O)c1cccc2c(Cl)cccc12 41127275 HPTBGUNKHRSJLW-UHFFFAOYSA-N 261.752 3.975 0 40 CHAB CCCc1cc(Br)ccc1O[C@H]1CCCNC1 42774468 XLEGUFJKQJPKBL-ZDUSSCGKSA-N 298.224 3.532 0 40 CHAB CCOC(=O)c1cnc2c(C)c(F)ccc2c1Cl 43321373 WSCNNFGWXUPWJY-UHFFFAOYSA-N 267.687 3.512 0 40 CHAB FC(F)(F)c1cccc(-c2nsc(Cl)n2)c1 47218933 RNFCBGATYRHEBF-UHFFFAOYSA-N 264.659 3.877 0 40 CHAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1Br 49877235 KNSQEAAOFWFDLA-UHFFFAOYSA-N 281.105 3.716 0 40 CHAB CCCC(=O)c1cc(Br)cc(Cl)c1O 52068486 MNOZAJKNBGOFIX-UHFFFAOYSA-N 277.545 3.791 0 40 CHAB CCOc1ccc([C@H]2CCCN2C(=O)C2CCC2)cc1 52975377 ITIUYSUBQWSXKV-MRXNPFEDSA-N 273.376 3.549 0 40 CHAB Cc1nc(NC(=O)N2CC=C(c3ccccc3)CC2)oc1C 65752072 WLPKNWVHAXRPNJ-UHFFFAOYSA-N 297.358 3.613 0 40 CHAB Fc1cccc(NN2CCCCC2)c1C(F)(F)F 95081573 YZMCNKBXZYYOHH-UHFFFAOYSA-N 262.250 3.657 0 40 CHAB CCCCOc1c(C)cc(-c2noc([C@@H](C)N)n2)cc1C 95095350 IRDFZGHQTHDGIK-GFCCVEGCSA-N 289.379 3.552 0 40 CHAB CC[C@@H]1CC[C@@H](C)N1c1cc(C)nc(-c2ccccn2)n1 95458739 UDUOVCPNBQBLPJ-ZIAGYGMSSA-N 282.391 3.614 0 40 CHAB COc1cc(C(=O)c2ccc(F)cc2C)ccc1F 95917002 BGAYSGMQTNGBBP-UHFFFAOYSA-N 262.255 3.513 0 40 CHAB CC(C)Oc1ccc([C@H](C)NCc2cccc(CO)c2)cc1 95967746 ANNWNAUGPYXHRA-HNNXBMFYSA-N 299.414 3.817 0 40 CHAB Cc1cccc(F)c1NC(=O)/C=C/c1ccccc1 95988971 KSODDZCQNMIETA-ZHACJKMWSA-N 255.292 3.786 0 40 CHAB Cc1nc(C[S@](=O)[C@@H](C)c2cccc(Cl)c2)oc1C 97083661 PDQGVGLLSAATQU-JEOXALJRSA-N 297.807 3.955 0 40 CHAB Cc1nc(CN[C@H](C)c2cc3cc(Cl)ccc3o2)no1 97112288 CESONMLCMNEFRV-MRVPVSSYSA-N 291.738 3.628 0 40 CHAB Oc1c2c(nc3c(-c4ccc(Cl)cc4)cnn13)CCCC2 100642519 GWWIKIUVSZYLLC-UHFFFAOYSA-N 299.761 3.634 0 40 CHAB CCOc1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 102463209 YHSGWXOJIDBYOJ-IHRRRGAJSA-N 273.376 3.850 0 40 CHAB O=C(Nc1cccc2ccccc12)[C@H]1C[C@H]2C=C[C@H]1C2 104104558 RURBIKBEHAPQDM-NOLJZWGESA-N 263.340 3.991 0 40 CHAB COc1ccc(Cl)cc1C(=O)N1CCCC(C)(C)C1 112685877 KVCRBFXFULHMAQ-UHFFFAOYSA-N 281.783 3.611 0 40 CHAB CCOC(=O)CC1CCC(c2ccc(C=O)cc2)CC1 205805532 BXJNCWBVOXBKOK-UHFFFAOYSA-N 274.360 3.726 0 40 CHAB Cc1ccccc1CS(=O)(=O)NC(C)(C)CC(C)(C)C 224166500 DHEFLTYQOPVOSD-UHFFFAOYSA-N 297.464 3.629 0 40 CHAB Cc1ccccc1O[C@@H](Cc1ccc(Cl)cc1)C(=O)O 225060569 LXHMIOURWHHBFX-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB CSc1ccccc1C(=O)COCc1ccccc1 382672821 CWGQZSQFSDNLRA-UHFFFAOYSA-N 272.369 3.808 0 40 CHAB CCOCCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 409127708 RASNQKXTJGHQLX-FMIVXFBMSA-N 289.419 3.540 0 40 CHAB Cc1ccncc1NC(=O)CCc1cccc(Cl)c1 520543345 CQMIDRCPLJZCFD-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB CCC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 79478 KBDQQKIJNJYJEN-UHFFFAOYSA-N 279.343 3.658 0 40 CHAB CC1=NC(Nc2nc(C)c3ccc(C)cc3n2)=NC(C)(C)C1 983826 CAAPXMWLJGAPKB-UHFFFAOYSA-N 295.390 3.658 0 40 CHAB Cc1ccnc(-c2cc(C)cc(Br)n2)c1 35653890 UEJJXCRFGURPDR-UHFFFAOYSA-N 263.138 3.523 0 40 CHAB Nc1ncnc2scc(-c3ccc(Cl)cc3)c12 1986075 CKLMUOVMAOXKTH-UHFFFAOYSA-N 261.737 3.594 0 40 CHAB O=C(CCSCc1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100098919 YNBNIRZUMMKNMA-BZUAXINKSA-N 289.444 3.615 0 40 CHAB CCSc1nccn1-c1ccc(Br)cc1 58537201 MCJNTPMLCCCMSO-UHFFFAOYSA-N 283.194 3.747 0 40 CHAB Cc1cc2oc(=O)cc(CN3CCCC[C@@H]3C)c2cc1C 2328724 RYRCCGJUKBRKPO-AWEZNQCLSA-N 285.387 3.784 0 40 CHAB O=C(CCCc1nc2ccccc2[nH]1)NC1CCCCCC1 29053583 LTZUKRUALDQQOP-UHFFFAOYSA-N 299.418 3.725 0 40 CHAB COc1ccccc1C(=O)CCc1cccc(F)c1 2517319 SWCCSHDSGROSEX-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB C[C@@H]1CCc2c(C(=O)NCCc3ccccc3)csc2C1 2708153 OZBMAACOSAOIHK-CYBMUJFWSA-N 299.439 3.845 0 40 CHAB O[C@@H]1CCC[C@@H](NCc2ccc(-c3ccccc3)s2)C1 37321146 QTVQWACWDSTERV-HUUCEWRRSA-N 287.428 3.808 0 40 CHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C1CCC1 15497606 HDMTYPJALZEHJU-GFCCVEGCSA-N 281.808 3.793 0 40 CHAB O=C(Nc1ccc(Cl)cc1)n1cnc2ccccc21 16992016 GNLMGFQHGIFUTC-UHFFFAOYSA-N 271.707 3.770 0 40 CHAB CCc1c(C)sc(N)c1C(=O)Nc1ccccc1C 17007332 NCXTXKLNLYDNIT-UHFFFAOYSA-N 274.389 3.762 0 40 CHAB CSc1ccccc1NC(=O)CCC(F)(F)F 173233486 HYJCDLZTYLORPS-UHFFFAOYSA-N 263.284 3.690 0 40 CHAB Cc1nc(O)ccc1[C@H]1CCCCN1Cc1ccccc1 72218227 NMOCIPNDBINPRR-QGZVFWFLSA-N 282.387 3.823 0 40 CHAB Cc1cc(SCc2ccccc2)ncc1[C@@H](C)O 72223448 VKZNMMROSZPNCQ-GFCCVEGCSA-N 259.374 3.736 0 40 CHAB Brc1ccc(N2CCCc3ccccc32)nc1 42376666 RGXPFMDACLYSEN-UHFFFAOYSA-N 289.176 3.928 0 40 CHAB CC(C)(C(=O)Nc1cc(F)ccc1F)c1ccccc1 49525401 ASDXDZYDDMPWOZ-UHFFFAOYSA-N 275.298 3.881 0 40 CHAB CCCCO[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225092656 GOHBQTRTYIRBRG-LBPRGKRZSA-N 291.174 3.806 0 40 CHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)CC(C)(C)C 224135715 VNGXQQOHDYABJW-GFCCVEGCSA-N 295.398 3.924 0 40 CHAB Clc1cccc(-c2cc(Br)on2)c1 198659443 BRBAMRGHSKABQY-UHFFFAOYSA-N 258.502 3.758 0 40 CHAB COc1ccccc1C(=O)c1ccc(Cl)cc1C 95916470 KGCMNGSFLYCCIY-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB Cc1cc(C)nc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)n1 1776001304 KLUDAPRUGIVFHF-HOTGVXAUSA-N 269.392 3.705 0 40 CHAB O=C(CCc1ccccc1)N[C@@H]1CCc2c(F)cccc21 55681995 RXVHWGZNSAAGIK-QGZVFWFLSA-N 283.346 3.562 0 40 CHAB CC(=O)c1cc(C(C)C)c(OC(=O)C(F)(F)F)cc1C 45388 YTHCGLOLCNXNSH-UHFFFAOYSA-N 288.265 3.789 0 40 CHAB Cc1ccc(-n2ncc3c2C[C@@H](c2ccco2)CC3=O)cc1 17022862 GYDJEOSFHZIRTK-CYBMUJFWSA-N 292.338 3.686 0 40 CHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccsc1 11572775 WBNNHGAZLRLSTM-UHFFFAOYSA-N 286.400 3.909 0 40 CHAB Cc1ccc(C(C)C)cc1OCC(=O)NC1CCCC1 32911068 ROFYMIUTUOXXBU-UHFFFAOYSA-N 275.392 3.556 0 40 CHAB O=C(COc1ccc2ccccc2c1)Nc1cccc(O)c1 364223 SNONEZCVLFYOBR-UHFFFAOYSA-N 293.322 3.563 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1ccccc1Br 304627 GHICBJOTUGCOGP-NSHDSACASA-N 296.208 3.854 0 40 CHAB NC(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 32879205 UAJYQAGPEVLTGG-CYBMUJFWSA-N 296.153 3.599 0 40 CHAB O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccc1 127384 NOCGCKFBUJIDRQ-UHFFFAOYSA-N 288.306 3.646 0 40 CHAB O=C(CSCc1ccccc1F)Nc1ccc(F)cc1 148692 SQQRGYPSAXROQG-UHFFFAOYSA-N 293.338 3.837 0 40 CHAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccco1 386595 DDKDZIDDFRMXPJ-UHFFFAOYSA-N 263.296 3.784 0 40 CHAB biogenic O=C1[C@H]2CCC[C@@H]1[C@H](c1ccccc1)[C@H]1CCCC[C@]21O 1318912 HRLRAZZTFFAGBS-ZQOJQMTGSA-N 284.399 3.691 0 40 CHAB Cc1cc(C)n(-c2ccnc3cc(Cl)ccc23)n1 1387696 NOWCXGQSJPMTNV-UHFFFAOYSA-N 257.724 3.691 0 40 CHAB Clc1ccccc1-c1nnc2c3ccccc3ncn12 1797252 HEPLZAOQAJEZLJ-UHFFFAOYSA-N 280.718 3.598 0 40 CHAB Cc1ccc(C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1C 2197727 XNMAEADQBRRWAB-KRWDZBQOSA-N 280.323 3.788 0 40 CHAB CCCCN(C)C(=O)c1ccc(Cl)cc1Cl 2765365 XGNMEVOXCMYOPI-UHFFFAOYSA-N 260.164 3.866 0 40 CHAB CCN(C(=O)CSCc1ccco1)C1CCCCC1 3257732 FJRKBYSWYZWLTA-UHFFFAOYSA-N 281.421 3.694 0 40 CHAB CC(C)N1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 4668659 CALJLYCXWGELCJ-YRNVUSSQSA-N 281.764 3.785 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccc(N2CCCCC2)cc1 4675114 QXRMMOFIFUSVFI-ZHACJKMWSA-N 296.370 3.922 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 4711059 ZCAFLKUJZUZMIA-JLJPHGGASA-N 298.430 3.891 0 40 CHAB Cc1cc(Br)ccc1-c1ccc(CO)o1 4739286 JEMKSEOOXHOWBQ-UHFFFAOYSA-N 267.122 3.510 0 40 CHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCCC[C@H]1C 5557344 LBVSFXUUSXMYMA-OLZOCXBDSA-N 270.376 3.614 0 40 CHAB Cc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 5695870 GEBWJHOWXBHSGQ-UHFFFAOYSA-N 293.326 3.763 0 40 CHAB CCC[C@H](C)NC(=O)CSCc1cccc(Cl)c1 6324958 QKFRZWMSQSKLKY-NSHDSACASA-N 285.840 3.878 0 40 CHAB CCc1cccc(NC(=O)Cc2noc3ccccc23)c1 6836652 VINAVFXSBPEUNZ-UHFFFAOYSA-N 280.327 3.571 0 40 CHAB S=C(NC1CC1)N(Cc1ccccc1)c1ccccc1 7094202 XCCINEDWCMHSKO-UHFFFAOYSA-N 282.412 3.730 0 40 CHAB CC[C@H](C)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 8344396 MTUFDDWMNDOBEV-IUCAKERBSA-N 289.206 3.709 0 40 CHAB CC[C@H]1CCCCN1CCCOc1ccccc1C=O 8731536 CUDYOZDLNBETNG-INIZCTEOSA-N 275.392 3.533 0 40 CHAB Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)o2)cc1C 10881214 RVGIUDMDHNOTOE-UHFFFAOYSA-N 299.374 3.986 0 40 CHAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 12284623 COBHCYTXHPGGSR-QGZVFWFLSA-N 294.398 3.537 0 40 CHAB CCOc1ccc2[nH]c(=O)c(CNc3ccccc3)cc2c1 12493144 VNANMRWGGUDHEJ-UHFFFAOYSA-N 294.354 3.539 0 40 CHAB C[C@H]1C[C@H](C)CN(c2ncnc3c2oc2ccccc23)C1 12614824 RWDOVQVCAOWQNK-RYUDHWBXSA-N 281.359 3.858 0 40 CHAB O=C(Nc1nc2c(s1)CCCCC2)c1cccc(F)c1 12902552 HFKSWKKYSPLNNA-UHFFFAOYSA-N 290.363 3.803 0 40 CHAB CCCOc1ccccc1C(=O)Nc1ccc(F)cc1 14036481 IGIZYOKTLRWAHQ-UHFFFAOYSA-N 273.307 3.867 0 40 CHAB C[C@@H]1CCc2sc(C(=O)Nc3ccccc3O)cc2C1 14180152 BRVJKOFNZHQEFH-SNVBAGLBSA-N 287.384 3.831 0 40 CHAB Cc1cc(C(C)(C)C)ccc1Oc1ncnc2c1cnn2C 14210793 FVPWJOBYLMQKCD-UHFFFAOYSA-N 296.374 3.762 0 40 CHAB CCS(=O)(=O)Nc1ccccc1Sc1ccccc1 14223154 DMTGHYAZITWWFI-UHFFFAOYSA-N 293.413 3.599 0 40 CHAB Cc1ncc(C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1 19936962 ADRKFNQVXFBNMW-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB O=C(O)c1ccc(-c2ccc(Br)cc2F)o1 20159978 MJAFJVZLWQPKRZ-UHFFFAOYSA-N 285.068 3.546 0 40 CHAB COc1cccc(-c2ccnc3nc4ccccc4n23)c1 20635296 LJANXGLSOCJZAD-UHFFFAOYSA-N 275.311 3.558 0 40 CHAB c1ccc2c(c1)CCN(c1ccc3ccccc3n1)C2 23479679 OOKSXRCQBYVXRC-UHFFFAOYSA-N 260.340 3.798 0 40 CHAB Cc1nc(NC(=O)[C@@H]2CC=CCC2)sc1-c1ccccn1 24031893 CUBOCUISTADQIN-GFCCVEGCSA-N 299.399 3.808 0 40 CHAB Cc1cc(N)cc(-c2nc3ccc(C)c(C)c3o2)c1O 40541614 DMKPNRGMBBPENQ-UHFFFAOYSA-N 268.316 3.708 0 40 CHAB CCOC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12 43919314 LKYLOBUGYLMOSS-UHFFFAOYSA-N 295.338 3.924 0 40 CHAB CC(C)(C)c1nnc(CN2CCC[C@H]2c2ccsc2)o1 44937881 PSDJZLOFZUUMQQ-LBPRGKRZSA-N 291.420 3.766 0 40 CHAB O=C(Nc1ccc2c(c1)CCN2)c1ccccc1Cl 63187992 OZCPHMUPANYAMA-UHFFFAOYSA-N 272.735 3.560 0 40 CHAB Clc1cccc(CNCc2csc(C3CC3)n2)c1 69877377 QOHUPJKUMLTSKY-UHFFFAOYSA-N 278.808 3.964 0 40 CHAB COC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 72207227 ZMEHYZAOFLUSPF-WDEREUQCSA-N 275.373 3.743 0 40 CHAB c1ccc2c([C@H]3CCCC[C@@H]3NC3CC3)c[nH]c2c1 72210198 PANGFHOBYNCCJF-PBHICJAKSA-N 254.377 3.946 0 40 CHAB CNc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72212502 GULMEQUYLBFWMK-KRWDZBQOSA-N 281.403 3.851 0 40 CHAB CN1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72348550 JUTYCCZVKHUPKW-CQSZACIVSA-N 270.351 3.697 0 40 CHAB Oc1cc(C(F)(F)F)nc(-c2cccc(Cl)c2)n1 73696355 SOZCOHGHKUAMBS-UHFFFAOYSA-N 274.629 3.521 0 40 CHAB CN(c1ccc(Br)cc1)c1ccccn1 95915779 RIJNQECCOKHFDZ-UHFFFAOYSA-N 263.138 3.612 0 40 CHAB CCC[C@@H](N[C@H](C)Cc1cccs1)C(=O)OC(C)(C)C 95943450 AEHZIUTZCQPDLH-TZMCWYRMSA-N 297.464 3.779 0 40 CHAB CC(C)CN1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 96215264 DTEUEBSEHFELKS-QGZVFWFLSA-N 292.492 3.692 0 40 CHAB CSc1ccc(CCC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1 208019928 FVCJNDFFGSIOEG-GJZGRUSLSA-N 287.428 3.661 0 40 CHAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 224666475 CIOFIXOQRXFMJI-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB CC[C@H](C(=O)O)N(CC)c1cc(Cl)cc(Cl)c1 224995794 BFJZTYAEJDZYBS-LLVKDONJSA-N 276.163 3.683 0 40 CHAB CCCOC(=O)c1cc(NC)ccc1N1CCC(C)CC1 226277413 IGLMRVXJMRMBQR-UHFFFAOYSA-N 290.407 3.531 0 40 CHAB Cc1c(F)cccc1C(=O)COCc1ccccc1 382698155 MCAQWVXGYLAJBI-UHFFFAOYSA-N 258.292 3.534 0 40 CHAB Cc1ccc2nc(-c3ccccc3Cl)oc(=O)c2c1 41647 KTOJKHZQKYXQDO-UHFFFAOYSA-N 271.703 3.817 0 40 CHAB Clc1ccc(COc2ccccn2)c(Cl)c1 377446 MAGREKHKLJLXAO-UHFFFAOYSA-N 254.116 3.967 0 40 CHAB Nc1c(Cl)cc2oc(-c3cccnc3)nc2c1Cl 570169 HPTYCFLQSNPTBK-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccs1 812411 ZRZKHKGUNHQCIH-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB C[C@]12CCc3c(ccc4cc(O)ccc34)[C@H]1CC[C@@H]2O 2039577 RYWZPRVUQHMJFF-SQNIBIBYSA-N 268.356 3.736 0 40 CHAB biogenic C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@H]2O 2041353 VOXZDWNPVJITMN-TZNCUMHOSA-N 272.388 3.609 0 40 CHAB O=C(CCc1nc2ccccc2s1)OCc1ccccc1 3239711 ZYSIANWAWAFHRJ-UHFFFAOYSA-N 297.379 3.972 0 40 CHAB Oc1c(-c2ccccn2)n(N2CCCCC2)c2ccccc12 3845020 KIRKRGOQAUJPMW-UHFFFAOYSA-N 293.370 3.531 0 40 CHAB biogenic CC[C@H]1CCc2sc(-c3nnc(S)o3)cc2C1 3887839 ZWWRMBJAUODDAT-ZETCQYMHSA-N 266.391 3.602 0 40 CHAB O=C1CSC2(CCCCCC2)N1Nc1ccccc1 4491582 VAVSHIRKMKNGAI-UHFFFAOYSA-N 276.405 3.639 0 40 CHAB Cc1cc(-c2ccc(Cl)cc2)n2nc(C)cc2n1 4559677 ZXAGNZUKURDKFN-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB CC(=O)CCCCCCCCCC[C@@H]1CC[C@H](O)[C@@H]1O 4727026 VOFBBQZXUQXUQN-IXDOHACOSA-N 284.440 3.608 0 40 CHAB biogenic,in-vitro O=[S@](Cc1ccccc1)c1nc2ccccc2s1 4978101 XBIUSTQGIGMYMQ-SFHVURJKSA-N 273.382 3.604 0 40 CHAB Cc1cccc(C(=O)NCCc2ccc(Cl)cc2)c1 5443333 IJVASXVPMWLMDQ-UHFFFAOYSA-N 273.763 3.621 0 40 CHAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 5703078 GXHUAFLVQOJCKR-WNVSFUKWSA-N 297.354 3.723 0 40 CHAB CC(=O)O[C@@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@]23CC[C@@]1(C)O3 5731863 CPOIBZCPCUMJTQ-WRQOLXDDSA-N 280.408 3.702 0 40 CHAB COc1ccc(CNC2CCCCCC2)cc1OC 8493707 LHKBYBKHBZAQOR-UHFFFAOYSA-N 263.381 3.516 0 40 CHAB CCOc1ccc(C(=S)NCc2ccc(C)cc2)cc1 9188161 FNUVAOBHBNDVIE-UHFFFAOYSA-N 285.412 3.859 0 40 CHAB COc1cccc2cc(-c3csc(NC(C)=O)n3)oc12 10747416 VVSQRHZZUIWKCO-UHFFFAOYSA-N 288.328 3.523 0 40 CHAB CSc1ccc(NC(=O)COc2ccc(F)cc2)cc1 11229628 DDHZNTXZDFRUHH-UHFFFAOYSA-N 291.347 3.565 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2O)cc1-n1cccc1 11679703 LTPXZQZBQDFPOK-UHFFFAOYSA-N 292.338 3.744 0 40 CHAB O=C(O)c1ccc(Oc2ccc(Br)cc2)o1 12336531 FQCNVCYLNHHFEJ-UHFFFAOYSA-N 283.077 3.533 0 40 CHAB Cc1ccc(C)n1NC(=O)c1cc2cc(Cl)ccc2o1 12854670 MGBWBKFPMLVLLN-UHFFFAOYSA-N 288.734 3.888 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc3ccccc3cc2O)C1 13001225 FRFBOIDLUJWXAD-STQMWFEESA-N 283.371 3.664 0 40 CHAB CCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 15657598 WWMFFUXARDDMIE-CQSZACIVSA-N 283.371 3.963 0 40 CHAB Cc1ccc2[nH]c3c(N4C[C@@H](C)C[C@@H](C)C4)ncnc3c2c1 18177661 KTSJYCAKNVROQP-BETUJISGSA-N 294.402 3.902 0 40 CHAB Cc1ccc(C(=O)NCc2ccccc2C)c(C)c1 18833913 RBHYFUMUHYMFPI-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB Cc1ccccc1NCC(=O)Nc1cccc(Cl)c1 19774035 OHENLKACLPJWCL-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(F)cc1 22005533 AHHXLWYGFYJIFC-UHFFFAOYSA-N 295.354 3.703 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)C1CCCC1 22509480 WJMJNDDKZHGKNW-LLVKDONJSA-N 281.783 3.508 0 40 CHAB O=C(Cc1cccs1)N1CCCSc2ccccc21 23228265 OQAMBADLEDGUOL-UHFFFAOYSA-N 289.425 3.820 0 40 CHAB Cc1ccc2sc(NCc3cccnc3)nc2c1C 26422534 BCSLLUULHUYBNR-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB CSc1cccc(NC(=O)c2cc(C3CC3)on2)c1 32871952 QKOMJGLJYPPLQC-UHFFFAOYSA-N 274.345 3.526 0 40 CHAB C[C@@H](Cc1cccs1)NC(=O)c1ccc(Cl)s1 33204040 STPVTJXJWRSXDR-QMMMGPOBSA-N 285.821 3.824 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccccc1C 33509470 NJSLDKZVHLDUNN-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB COc1ccc(CNc2c(C)nn(C(C)C)c2C)cc1 37787540 AKKPTXAGMHRQSQ-UHFFFAOYSA-N 273.380 3.702 0 40 CHAB Cc1ccc(-c2n[nH]c(-c3cccc(F)c3)n2)cc1 40164166 HNKXCIFLJDRNQN-UHFFFAOYSA-N 253.280 3.586 0 40 CHAB Clc1nccc(Sc2ccccc2Cl)n1 48727868 VSPJOZLNXNALGK-UHFFFAOYSA-N 257.145 3.935 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(F)cc1 58080388 DCENHGZVVNSKFP-RISCZKNCSA-N 281.396 3.613 0 40 CHAB CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccccc2O)c1 60344143 PSZGTMKLSAMGKP-UHFFFAOYSA-N 299.370 3.577 0 40 CHAB Cc1cccc(-c2cc(-c3ccccc3F)nc(N)n2)c1 71978222 UHXXREKDEHSJQK-UHFFFAOYSA-N 279.318 3.840 0 40 CHAB Cc1ccc(C(=O)O[C@@H](C2CC2)C(F)(F)F)cc1F 79063152 PHYLWEZXBPVHBL-NSHDSACASA-N 276.229 3.632 0 40 CHAB Fc1cccc(F)c1-c1noc(-c2ccc(Cl)nc2)n1 89262792 BJOFIOCMZLVLCD-UHFFFAOYSA-N 293.660 3.730 0 40 CHAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@@H]1C[C@@H]1C1CC1 89807770 YQLYYWPQTOHMDG-HZPDHXFCSA-N 277.367 3.923 0 40 CHAB O=C(c1ccoc1)N(Cc1ccoc1)Cc1cccs1 90612182 IKHKNHYTQVTWKZ-UHFFFAOYSA-N 287.340 3.777 0 40 CHAB CC[C@@H]1CC[C@@H](C)N1c1ccc(Br)cn1 95458743 FVKRWELDIAYQFM-MWLCHTKSSA-N 269.186 3.611 0 40 CHAB COc1cc(C)ccc1-c1csc(Br)n1 95751629 HQHUMXBLUKXRFE-UHFFFAOYSA-N 284.178 3.890 0 40 CHAB COc1ccc(Br)cc1OCCC(C)C 96543423 LOCXEAVOJJIKKU-UHFFFAOYSA-N 273.170 3.883 0 40 CHAB CCCC[C@@H](Oc1cccc2ccccc12)C(=O)O 132238247 HBUNKQDVBZSKGL-OAHLLOKOSA-N 258.317 3.862 0 40 CHAB Cc1ccc([C@H](C)N(C)C(=O)OC(C)(C)C)cc1N 218270590 SOJKCTBNYBHWLW-NSHDSACASA-N 264.369 3.505 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)NCC1=CCCCC1 223411456 APGKRTMEBJOCLZ-AWEZNQCLSA-N 289.444 3.925 0 40 CHAB CC[C@H](C)Oc1ccc2c(c1)c(CN)c(C)n2CC 223757371 COZINERCGYRCBH-NSHDSACASA-N 260.381 3.606 0 40 CHAB CC[C@@H](C)NC(=O)c1cc(C(C)C)c(OC)cc1C 225654280 SSDHSSLFUZWHAL-GFCCVEGCSA-N 263.381 3.655 0 40 CHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)cc1 225728901 QHNPHSLUXWLHCV-MRXNPFEDSA-N 279.380 3.619 0 40 CHAB CCc1cc(NC(=O)NCC[C@@H]2CC2(F)F)ccc1C 585114085 WGWFFFDFEQKICB-GFCCVEGCSA-N 282.334 3.724 0 40 CHAB c1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1 529854 JBVCEBBXSZWYMY-UHFFFAOYSA-N 298.396 3.505 0 40 CHAB Cc1ccc(NC(=O)Cc2noc3ccccc23)c(C)c1 1018169 ADUIKKTYUBSKJM-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB O=C(c1cccnc1Nc1ccccc1F)N1CCCCC1 1340632 KYCVXWRTBLFAHO-UHFFFAOYSA-N 299.349 3.590 0 40 CHAB CCN(CC)CCC(=O)c1ccc(Cl)c(Cl)c1 1635908 UCWCWHQLUZVUQN-UHFFFAOYSA-N 274.191 3.908 0 40 CHAB CC1(C)OC[C@@H](Cn2c3ccccc3c3ccccc32)O1 5261013 IWZKGRGGURHWQK-CYBMUJFWSA-N 281.355 3.946 0 40 CHAB Nc1c(Nc2ccc(Cl)cc2)ccnc1Cl 5769827 IZVFROOLXZHRGZ-UHFFFAOYSA-N 254.120 3.714 0 40 CHAB Cc1cc2oc(=O)cc(CN3CCC[C@H](C)C3)c2cc1C 6649635 XDNFGCLPQDYKNR-LBPRGKRZSA-N 285.387 3.642 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccc(F)cc1Cl 6650677 JNFDUMFCYDYZDZ-GQCTYLIASA-N 265.671 3.724 0 40 CHAB Cc1ccccc1NC(=O)Cc1ccc2c(c1)CCC2 7400116 BCSVGJRECDBTPX-UHFFFAOYSA-N 265.356 3.665 0 40 CHAB O=C(CCc1cccs1)NCCc1c[nH]c2ccccc12 7990628 AHUZKXVIKBCMBH-UHFFFAOYSA-N 298.411 3.521 0 40 CHAB CCOc1ccc(CNC2CCCC2)cc1OCC 8324850 ZNCGGBHVCARIFJ-UHFFFAOYSA-N 263.381 3.516 0 40 CHAB Cc1cc(C)c2c(C)c(C(=O)NCC(C)C)sc2n1 10056069 JZOHLLYNDOCALN-UHFFFAOYSA-N 276.405 3.607 0 40 CHAB CC[C@@H](C)NC(=O)c1ccccc1OCc1ccccc1 10120492 YDJRCOMMRGHJDX-CQSZACIVSA-N 283.371 3.794 0 40 CHAB c1ccc2c(Nc3ccc(N4CCCC4)cc3)ncnc2c1 11990859 QASFRIFIDUTAFR-UHFFFAOYSA-N 290.370 3.974 0 40 CHAB CC[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 12456733 RMAZEAOQTRKRHU-SNVBAGLBSA-N 287.384 3.836 0 40 CHAB COc1ccc(NCc2cc(=O)oc3cc(C)ccc23)cc1 12545808 OKSHKCXICIMDCF-UHFFFAOYSA-N 295.338 3.722 0 40 CHAB Clc1ccccc1-c1c[nH]c(-c2cccnc2)n1 13553741 LOIZZDLEVPMWIC-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2ccccn2)c(Cl)c1 13744654 MNIYNAFLWIPHJG-LLVKDONJSA-N 289.766 3.926 0 40 CHAB CCCCCNC(=S)Nc1cc(C)ccc1C 13818916 WQRUYXJKWHWZIW-UHFFFAOYSA-N 250.411 3.780 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1 15577772 GMBXIHQJXDPPPO-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB Cc1cccc2cc3c(nc12)N(C(=O)c1cccs1)CC3 15841993 BQEVMYKZKNHRKT-UHFFFAOYSA-N 294.379 3.808 0 40 CHAB Cc1cc([C@H]2CCCCCN2Cc2cccc(O)c2)on1 19120300 OHKURPHHXFBYEC-MRXNPFEDSA-N 286.375 3.806 0 40 CHAB CCOC(=O)c1cccc(-c2nc3ccccc3o2)c1 20136195 CRFWYTXEKRXJAL-UHFFFAOYSA-N 267.284 3.672 0 40 CHAB Cc1ccc(F)cc1Nc1ncc(C(=O)O)cc1Cl 21022339 LKGFSRBHSJEVSZ-UHFFFAOYSA-N 280.686 3.624 0 40 CHAB in-vitro COc1cc(NC(=O)c2occc2C)c(OC)cc1Cl 25320681 JNJQEDCYRIDXQN-UHFFFAOYSA-N 295.722 3.511 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2cccs2)o1 32204980 QBMHUNCNDLRRIP-JMZAUNQWSA-N 287.384 3.794 0 40 CHAB CCOc1ccc2nc(SCC(C)C)[nH]c2c1 32664117 LCUJZZWQXKKSFJ-UHFFFAOYSA-N 250.367 3.710 0 40 CHAB C[C@H](NC(=O)[C@H]1Cc2ccccc2S1)c1cccs1 32879003 BYLNPYMCLLOGKB-IINYFYTJSA-N 289.425 3.642 0 40 CHAB CCN(Cc1cccc(F)c1)C(=O)[C@H]1CC=CCC1 39975996 YEZSPKKASJGZMW-AWEZNQCLSA-N 261.340 3.531 0 40 CHAB O=C(O)c1cccc(-c2nc(-c3ccccn3)cs2)c1 41722434 GLCKJGDDGBRDNI-UHFFFAOYSA-N 282.324 3.570 0 40 CHAB Cc1cc(C(=O)c2cccc(Cl)c2Cl)ccn1 45038596 ANHVXWSONQHKSE-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1cc(C)cc(OCc2nc(C)cc(Cl)n2)c1 58043466 HDOYKGIGTAIZHF-UHFFFAOYSA-N 262.740 3.634 0 40 CHAB Cc1occc1C(=O)Nc1cc(Cl)ccc1N(C)C 58134601 KUMSPQGRIGQPAZ-UHFFFAOYSA-N 278.739 3.560 0 40 CHAB C[C@@H](CNCCCc1nc2ccccc2[nH]1)c1ccccc1 62718675 QZZUCSHMYZKKSU-HNNXBMFYSA-N 293.414 3.889 0 40 CHAB O[C@H](c1ccccc1)c1ccc(NCc2ccccc2)nc1 72225349 PTDNCAUROHUQET-LJQANCHMSA-N 290.366 3.775 0 40 CHAB Clc1ccc(Cc2cccc(C3CCNCC3)n2)cc1 72348405 NCGBXNNJCVUCRB-UHFFFAOYSA-N 286.806 3.793 0 40 CHAB CCN1CC[C@@H](N(C)Cc2ccccc2Cl)[C@H](C)C1 76093212 NFWGKGMZTXRFBL-CZUORRHYSA-N 280.843 3.502 0 40 CHAB Cn1c(=O)c(/C=C/c2cccc(Cl)c2)nc2ccccc21 89749611 OXTSQXAUEBYDDN-MDZDMXLPSA-N 296.757 3.757 0 40 CHAB COc1ccc(Cl)cc1-c1cn[nH]c1-c1ccncc1 97173233 HUUSGMGKPOALGQ-UHFFFAOYSA-N 285.734 3.801 0 40 CHAB COc1ccc([C@H]2C=C(C)Nc3nc4ccccc4n32)cc1 100673213 AALMRCUSSDYMBE-QGZVFWFLSA-N 291.354 3.964 0 40 CHAB CCc1ccc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)s1 102197685 WWLPNFYHGAJCAR-HKUMRIAESA-N 277.433 3.865 0 40 CHAB Cc1cccc(-n2cccc2CNCC(C)C)c1C 223680538 AJABZKPIHOBWLN-UHFFFAOYSA-N 256.393 3.840 0 40 CHAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnco1 224060117 BAYMFXXNCRMEJG-UHFFFAOYSA-N 291.521 3.887 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COC 224683193 ZKEQYMLRCVGHDJ-UHFFFAOYSA-N 299.370 3.792 0 40 CHAB Cc1cccc(NC(=S)N[C@H](C)CCc2ccccc2)n1 225516530 LVAIRCXTTFEDIB-CQSZACIVSA-N 299.443 3.698 0 40 CHAB COc1cc(Cc2nc3ccc(C)cc3o2)cc(OC)c1 228945223 ZEMXYIOQMWJSOL-UHFFFAOYSA-N 283.327 3.744 0 40 CHAB S=C(Nc1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@H]1C2 260658800 NHQSEXJBUGXWII-OUJBWJOFSA-N 280.824 3.815 0 40 CHAB O=Cc1cncc(C(c2ccccc2)c2ccccc2)c1O 263618447 TUJGFHWJQLESTK-UHFFFAOYSA-N 289.334 3.780 0 40 CHAB COc1cc(F)ccc1C(=O)CCc1ccccc1 575357574 MIUBFECRQDBNTL-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB COc1ccc(C(F)(F)F)cc1C(=O)C1CCC1 575360063 CCXGSDTZHCEHID-UHFFFAOYSA-N 258.239 3.697 0 40 CHAB CN(C)c1ccc(C(=O)Cc2ccccc2Cl)cc1 161859 WSUDSFCGOFTTNU-UHFFFAOYSA-N 273.763 3.831 0 40 CHAB CCN(CC)c1ncnc2scc(CC(C)C)c12 349923 QMTGUPSLHSAMOI-UHFFFAOYSA-N 263.410 3.736 0 40 CHAB Cc1ccc2nc(NC(=O)Cc3cccs3)sc2c1 363262 GJMUQZIBSBWISZ-UHFFFAOYSA-N 288.397 3.847 0 40 CHAB O=C(c1ccccc1)n1ccn(-c2ccccc2)c1=S 366687 PARGEQAQDUDZEM-UHFFFAOYSA-N 280.352 3.697 0 40 CHAB CCC(=O)Nc1ccc(-c2cnc3ccccc3n2)cc1 482290 DWCAEHNZXUQPLZ-UHFFFAOYSA-N 277.327 3.645 0 40 CHAB Cc1ccnc(NC(=O)/C=C/c2ccccc2Cl)c1 544720 XBOOJPHCCDFOQZ-VOTSOKGWSA-N 272.735 3.695 0 40 CHAB COc1ccc([C@@H](CC(=O)N2CCCCC2)C(C)C)cc1 553248 VRRIARSSIAAHMT-KRWDZBQOSA-N 289.419 3.837 0 40 CHAB O=C(O)CCCCCC(=O)c1ccccc1C(F)(F)F 2579907 VFXIIKTWIBQFQS-UHFFFAOYSA-N 288.265 3.923 0 40 CHAB CC(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 3411171 AYTGRYMKIXIHMR-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 3449472 YYPQGOQESKTAIS-SNVBAGLBSA-N 277.726 3.970 0 40 CHAB C[C@H]1CC[C@@](C)(COC(=O)c2ccc(N)cc2)C1(C)C 3846129 WMLGAKFDNAXYLH-SJCJKPOMSA-N 275.392 3.888 0 40 CHAB biogenic C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 3849577 QGXBDMJGAMFCBF-NKJPCILVSA-N 290.447 3.959 0 40 CHAB biogenic COCc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 5558725 IXRZRELFMGGTNK-UHFFFAOYSA-N 299.301 3.971 0 40 CHAB CC1=N/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)O1 5722775 FWGUGWIRBPDVNC-WJDWOHSUSA-N 263.296 3.670 0 40 CHAB O=C(Nc1ccc(OC(F)F)cc1)C1CCCCC1 5781952 OXHQTDCENOOXDW-UHFFFAOYSA-N 269.291 3.807 0 40 CHAB CCCc1nc2ccccc2n1CC(=O)Nc1ccccc1 5902450 AYUHWWBKKWTMDS-UHFFFAOYSA-N 293.370 3.628 0 40 CHAB COc1ccc(F)cc1[C@H](O)CSCc1ccccc1 6588538 MGVUUUTWPDELFG-OAHLLOKOSA-N 292.375 3.801 0 40 CHAB CCc1ccccc1N[C@H](C)C(=O)Nc1ccccc1 7057598 RJTVSZVQODWMCK-CYBMUJFWSA-N 268.360 3.688 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)s1 7736019 KIUQRMCSFHBVRM-UHFFFAOYSA-N 257.358 3.798 0 40 CHAB COc1ccc(Nc2nc(C)c(C(=O)O)s2)cc1Cl 8024627 QQIVXSFOWDIXNG-UHFFFAOYSA-N 298.751 3.555 0 40 CHAB O=C(CC1(C(=O)O)CCCCCC1)Nc1ccccc1F 8745830 IGADYSBRJGCXKH-UHFFFAOYSA-N 293.338 3.580 0 40 CHAB O=C(NCCCOCC1CC1)Nc1cccc2ccccc12 11005378 AWBSBHCQOVXLAO-UHFFFAOYSA-N 298.386 3.778 0 40 CHAB CC(=O)c1ccc(NC(=O)c2cc(C)c(C)s2)cc1 12983785 NJZVOIMKXYRRCL-UHFFFAOYSA-N 273.357 3.820 0 40 CHAB CC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)s1 13008357 JGDVTEVWZDAYSZ-UHFFFAOYSA-N 294.763 3.612 0 40 CHAB COc1ccccc1C(=O)NC[C@H](c1ccccc1)C(C)C 13488536 XVFLGHVOMBWJAC-KRWDZBQOSA-N 297.398 3.865 0 40 CHAB in-vivo CCCCCCOc1ccc(OCCCC(=O)O)cc1 13609178 VEOGTSSCIIUPBJ-UHFFFAOYSA-N 280.364 3.889 0 40 CHAB C[C@H](NC(=S)Nc1cccnc1Cl)c1ccccc1 13838496 SJXQGJDVVVRWSQ-JTQLQIEISA-N 291.807 3.783 0 40 CHAB CCCCC(=O)Nc1ccc(NC(=O)CCC)cc1OC 13839683 MQTLNYFEMNQMQB-UHFFFAOYSA-N 292.379 3.563 0 40 CHAB CC[C@@H](NC(=O)COc1ccccc1)c1ccc(C)cc1 17841594 VEMKJMBFQSEVEP-QGZVFWFLSA-N 283.371 3.641 0 40 CHAB C[C@@H](NC(=O)CC1CCCC1)c1ccc(-n2ccnc2)cc1 18048174 DKNRTXYXSGPMFG-CQSZACIVSA-N 297.402 3.630 0 40 CHAB CCC[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 18135031 YWCCOMQMHZJGKY-OAHLLOKOSA-N 293.370 3.834 0 40 CHAB Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)O)c12 19256054 OTRKYBZVUKHQEW-UHFFFAOYSA-N 288.690 3.550 0 40 CHAB Cc1ccc(-n2nc(-c3ccccc3)nc2Cl)cc1 22125243 UEVZQMBDZGBFEL-UHFFFAOYSA-N 269.735 3.896 0 40 CHAB c1ccc2sc(CNc3ncnc4sccc34)nc2c1 24153267 LMXUEJHUPSSAAJ-UHFFFAOYSA-N 298.396 3.913 0 40 CHAB COc1ccccc1-c1noc(N)c1-c1ccccc1 26512457 HJAKUQZWQBLZIU-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB Cc1cc(F)ccc1NC(=O)Cc1csc(C(C)C)n1 31688322 QBPBEVAMJIBSNB-UHFFFAOYSA-N 292.379 3.895 0 40 CHAB Cn1c(C(=O)NC2CCCC2)c(Cl)c2ccccc21 32916095 ZAXYJYBSMPRDAY-UHFFFAOYSA-N 276.767 3.504 0 40 CHAB CC[C@@H](NC)c1ccc(OCc2ccccc2)cc1 34822532 ALSAWHMYPQVBMQ-QGZVFWFLSA-N 255.361 3.936 0 40 CHAB COc1cc(CNC2CC2)c(-c2ccccc2)cc1OC 38070614 YAMBDNADUBGNNG-UHFFFAOYSA-N 283.371 3.623 0 40 CHAB Cc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 41066148 MCTDQGVTQVEBDF-UHFFFAOYSA-N 250.170 3.525 0 40 CHAB CC[C@@H](C)[C@H](C)NCc1ccccc1Br 42419224 WDTWUBOMMXEIHP-MNOVXSKESA-N 270.214 3.973 0 40 CHAB Cc1ccc(C2=CS[C@@H]3N=CN=C(NCC(C)C)[C@@H]23)cc1 57369760 UYLWGJKSAUBLDY-WBVHZDCISA-N 299.443 3.711 0 40 CHAB Cc1ccsc1-c1nc(-c2cc(C(N)=O)co2)cs1 65585218 RIGHRIXEMGBXGP-UHFFFAOYSA-N 290.369 3.539 0 40 CHAB CCCCC[C@@H](OC)c1ccc(CC(=O)OC)cc1 72220180 DTMXOCCTRGPZGX-OAHLLOKOSA-N 264.365 3.670 0 40 CHAB CCc1cc(C)n(Cc2ccc(Cl)cc2)c1C(=O)O 78405455 HIZFGSLZERGKLJ-UHFFFAOYSA-N 277.751 3.759 0 40 CHAB CC[C@H](C)NCc1cc(Cl)ccc1Br 85219862 CODCTQSVVVCCFR-QMMMGPOBSA-N 276.605 3.991 0 40 CHAB COC(=O)C[C@@H](C)SCc1csc(-c2ccoc2)n1 89894573 TUMBGZXXOLBMHY-SECBINFHSA-N 297.401 3.588 0 40 CHAB COCCC1(NCCSc2ccccc2)CCCC1 95454715 YBYOADDORRSWBS-UHFFFAOYSA-N 279.449 3.718 0 40 CHAB COc1ccccc1C(=O)CC1(CC(=O)O)CCCCC1 95634440 QITQGIIJVWVYPG-UHFFFAOYSA-N 290.359 3.693 0 40 CHAB CC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccc(Cl)s1 97016974 MNIAZBORNDDSKR-MWLCHTKSSA-N 283.828 3.937 0 40 CHAB C[C@@H]1CCN(C(=O)Nc2cccnc2)[C@@H](c2ccco2)C1 98015840 KMLYUADHQJJIAU-TZMCWYRMSA-N 285.347 3.680 0 40 CHAB CCOc1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 102463213 YHSGWXOJIDBYOJ-MELADBBJSA-N 273.376 3.850 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCc1ccc(Cl)s1 106526350 ZIDLLCFWJFJAMG-SDDRHHMPSA-N 297.851 3.887 0 40 CHAB CSCC[C@H](C)N[C@H]1CCN([C@H](C)c2ccccc2)C1 108357771 JANZJMDZOZZRQJ-UXLLHSPISA-N 292.492 3.553 0 40 CHAB Cc1ccc(C)c(NC(=O)C2(c3ccc(N)cc3)CC2)c1 158758187 UTAXFVFINAMZEA-UHFFFAOYSA-N 280.371 3.556 0 40 CHAB CO[C@@H](C)C(=O)Nc1c(C(C)C)c(C)nc2ccccc12 191321926 BTIPALOQLJTKHA-LBPRGKRZSA-N 286.375 3.640 0 40 CHAB Cc1cc(NC(=O)C(C)C)ccc1-c1ccc(C(=O)O)o1 226352604 AIUXVUSPNMCFTL-UHFFFAOYSA-N 287.315 3.548 0 40 CHAB CCCN(CCC)C(=S)Nc1ccc2conc2c1 409200334 RJSMMOHDIMSIFR-UHFFFAOYSA-N 277.393 3.647 0 40 CHAB Cc1ccc(S(=O)(=O)/C=C/C2CCCCC2)cc1 399881 GNZNDWPMIXASHH-VAWYXSNFSA-N 264.390 3.863 0 40 CHAB COc1ccc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)cc1 519667 ZNBVMDQSJSQZRA-UHFFFAOYSA-N 296.322 3.791 0 40 CHAB biogenic CCC(CC)C(=S)N1CCN(c2ccccc2)CC1 1569373 HFDBRGIRBWNVNC-UHFFFAOYSA-N 276.449 3.572 0 40 CHAB CC[C@@H](C)c1ccccc1OC[C@@H](C)OC(C)=O 1583907 SVUKCOVWKNYCEL-VXGBXAGGSA-N 250.338 3.531 0 40 CHAB N[C@@H](Cc1ccccc1)c1cccc2c1CCCC2 1669558 KIYWAEQRGIWVLV-SFHVURJKSA-N 251.373 3.808 0 40 CHAB Cn1cccc1C(=O)OCc1csc(-c2ccccc2)n1 2629255 SWGLEZWLVBJBAG-UHFFFAOYSA-N 298.367 3.506 0 40 CHAB Clc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 3338742 XPNAVQIJQPKQIK-UHFFFAOYSA-N 287.775 3.895 0 40 CHAB CCCSc1nnc(Nc2ccccc2OC)s1 3494565 QRZRMYRFBMRUEI-UHFFFAOYSA-N 281.406 3.792 0 40 CHAB CC1(c2ccc3noc(-c4cccc(F)c4)c3c2)OCCO1 4072830 SSFSWEZUKLFWJL-UHFFFAOYSA-N 299.301 3.853 0 40 CHAB CC[C@](C)(O)/C=C1/Oc2ccccc2[C@@H]1N1CCCCC1 4653776 CAERQMOSJKWWFL-DXKZAIORSA-N 287.403 3.651 0 40 CHAB Cn1c(SCc2ccccc2)nnc1-c1ccccc1F 4947225 GWJVIQKDPUJTLT-UHFFFAOYSA-N 299.374 3.914 0 40 CHAB C[n+]1ccccc1/C=C\c1csc2ccccc12 4990951 NTFUSCBAVUOWHS-KTKRTIGZSA-N 252.362 3.896 0 40 CHAB O=C(Nc1ccc2c(c1)OCO2)Nc1c[nH]c2ccccc12 5299977 LCLQDSUQNGDYIO-UHFFFAOYSA-N 295.298 3.541 0 40 CHAB CSc1nc(-c2ccccc2)nc(-c2ccccc2O)n1 5662263 YHDLWMFYHPMUGW-UHFFFAOYSA-N 295.367 3.633 0 40 CHAB O=C(CNc1ccccc1)Nc1cccc(C(F)(F)F)c1 6045601 KNFQNMLSIWDJSS-UHFFFAOYSA-N 294.276 3.756 0 40 CHAB COc1cccc(NC(=S)N(C)C2CCCCC2)c1 7522549 WCHPWLMVGCLXFQ-UHFFFAOYSA-N 278.421 3.657 0 40 CHAB CC(C)(C(=O)Nc1ccc(F)cc1)c1ccccc1 7638911 SLLMWYFAQVKORE-UHFFFAOYSA-N 257.308 3.742 0 40 CHAB Cc1cccc(C2=N/C(=C/c3ccc(F)c(F)c3)C(=O)O2)c1 8884083 YKWBGGSORDQLRH-OQLLNIDSSA-N 299.276 3.618 0 40 CHAB CSCc1ccc(C(=O)Nc2ncccc2C)cc1 9647746 RNMGSAWGWBTSNN-UHFFFAOYSA-N 272.373 3.505 0 40 CHAB CSc1ncnc2c1sc1nc(C)c(C)cc12 12322689 MFIMPYNCSKHNEN-UHFFFAOYSA-N 261.375 3.578 0 40 CHAB Cc1cc(C)n2cc(CSC3CCCC3)nc2n1 12589752 PUWCXTQTCNOHAB-UHFFFAOYSA-N 261.394 3.522 0 40 CHAB Cc1cc(C)cc(Nc2nc(C)c(C(=O)N(C)C)s2)c1 13141351 VJQRYBPQBDKARM-UHFFFAOYSA-N 289.404 3.514 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(Br)cc2)C1 13590414 SHQPZCKEWINHER-PHIMTYICSA-N 296.208 3.567 0 40 CHAB O=C(CCc1ccc(F)cc1)Nc1ccccc1F 18114701 OWXOICUHCZZHQD-UHFFFAOYSA-N 261.271 3.536 0 40 CHAB CC1CCC(N2CCN(Cc3ccccc3F)CC2)CC1 19359623 ROQLCEYBXCUCLX-UHFFFAOYSA-N 290.426 3.522 0 40 CHAB Cc1csc(Nc2ccccc2)[n+]1Cc1ccco1 26570042 ILJNOHUGKWDDCJ-UHFFFAOYSA-O 271.365 3.729 0 40 CHAB O=C(Nc1cccc2ncccc12)[C@H]1C[C@H]1c1ccccc1 27926221 JSGNNWOACJXTDF-HOTGVXAUSA-N 288.350 3.977 0 40 CHAB O=C(NCC1CC1)N[C@H](c1ccccc1)c1cccs1 32909479 BVMMUQRACAZSHD-OAHLLOKOSA-N 286.400 3.547 0 40 CHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1OC 33572010 DZRIGFHXCBMFKM-MRXNPFEDSA-N 299.370 3.800 0 40 CHAB COc1cccc2cc(CN[C@@H](C)c3ccccn3)oc12 35009609 MTLXVZJDOHYGJA-LBPRGKRZSA-N 282.343 3.687 0 40 CHAB Clc1cc(-c2ccccc2)nc(-c2cccnc2)n1 36755613 CIICKTCUIOWCFG-UHFFFAOYSA-N 267.719 3.859 0 40 CHAB Cc1nc2cc(N[C@@H](C)c3nc(C(C)C)no3)ccc2o1 40511391 UZEOINOBFAXDQJ-VIFPVBQESA-N 286.335 3.816 0 40 CHAB CCOc1ccc([C@H](C)Nc2cncc(Cl)n2)cc1 48893061 SCPXBSUGIVZGMC-JTQLQIEISA-N 277.755 3.702 0 40 CHAB O=C(CCc1ccccc1)N1CC[C@H]1c1ccccc1 58011334 FXRDYZLBJDRIIZ-KRWDZBQOSA-N 265.356 3.593 0 40 CHAB Cc1cnccc1NC(=O)[C@H](C)SCc1ccccc1 69736989 MKWCKLBDRRNFGF-ZDUSSCGKSA-N 286.400 3.650 0 40 CHAB CC(C)(C)[C@@H](Cc1c[nH]c2ccccc12)NC1CC1 72210205 ZBUIOMZLVRDWLL-MRXNPFEDSA-N 256.393 3.877 0 40 CHAB CNc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72212565 YFLCGDGCSSHUTN-ZDUSSCGKSA-N 291.395 3.585 0 40 CHAB Cc1nc(Cl)cc(N[C@H]2C[C@@H]2c2cccc(F)c2F)n1 72302135 FEBJQVFOQIYSSB-KOLCDFICSA-N 295.720 3.685 0 40 CHAB CCOc1ccc(Nc2ccnc(C(C)(C)C)n2)cc1 72307751 CPLALNUMDKPBJX-UHFFFAOYSA-N 271.364 3.916 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 91692041 CSHUZZOEMAXPRY-UHFFFAOYSA-N 291.347 3.777 0 40 CHAB in-vitro CC(C)n1cc([C@H](C)N[C@H]2CCc3c(O)cccc32)cn1 95421942 QMPXRMXNGQRQTC-LRDDRELGSA-N 285.391 3.508 0 40 CHAB CC(C)CC[S@@](=O)Cc1ncc(Cl)cc1Cl 97148225 OSHINOMSNLRBHP-INIZCTEOSA-N 280.220 3.683 0 40 CHAB Cc1cc2cc(C(=O)N3CCc4cnccc43)oc2cc1C 98013964 NWTANSOFTHRWPV-UHFFFAOYSA-N 292.338 3.648 0 40 CHAB CC(=O)[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(C)C 103212168 YOZCVQKUWBRLMA-ARLBYUKCSA-N 282.424 3.852 0 40 CHAB FC(F)(F)c1nc(Br)sc1Cl 149773926 UTVIPSNPNMXVFD-UHFFFAOYSA-N 266.469 3.578 0 40 CHAB CC(C)[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1 225184790 FHUMSMIUWLGOIJ-LAHYYIKRSA-N 251.757 3.514 0 40 CHAB Cc1cccc(C(=O)Nc2c(C)cc(N)cc2Cl)c1 226756507 HQNZKJYBVJRSMY-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB C[C@@H](CC1CC1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 521394096 JDUVRNMVYUITBU-NUTKFTJISA-N 277.383 3.682 0 40 CHAB C[C@H](CC1CCCC1)C(=O)N1CCC(c2ncco2)CC1 521396402 VBVUCTZMALUCRE-CYBMUJFWSA-N 290.407 3.597 0 40 CHAB Cc1c(C2CC2)[nH]c2cccc(C(F)(F)F)c2c1=O 685938063 BJUVAIDKIUALEH-UHFFFAOYSA-N 267.250 3.733 0 40 CHAB Cc1cc(Cl)nc(Nc2ccc(Cl)cc2)n1 393545 XZFQTURXBXMPND-UHFFFAOYSA-N 254.120 3.835 0 40 CHAB CC(C)c1ccccc1NS(=O)(=O)c1cccs1 813859 GAXPTVANQKWUMH-UHFFFAOYSA-N 281.402 3.672 0 40 CHAB O=C(C[C@H]1C(=O)Nc2ccccc21)c1ccc(Cl)cc1 1005498 NGZZLTWPPYNTTL-CYBMUJFWSA-N 285.730 3.649 0 40 CHAB Cc1cc(O)cc(C)c1NC(=O)c1ccc(Cl)cc1 1436990 LBCDIORLYJQPAH-UHFFFAOYSA-N 275.735 3.915 0 40 CHAB Cc1ccc(CC(=O)n2cnc3cc(C)c(C)cc32)cc1 1458736 KXBXKVFHIWNSHD-UHFFFAOYSA-N 278.355 3.844 0 40 CHAB O=C(O)[C@H]1CC2(CC[C@H]1c1ccccc1)SCCS2 1644716 NPAMBDXBAONOKE-STQMWFEESA-N 294.441 3.831 0 40 CHAB CCN(CC)CCO[C@H]1CCCC[C@H]1Cc1ccccn1 1675099 FZAOVOGLQIIWGX-WMZOPIPTSA-N 290.451 3.541 0 40 CHAB CC(C)NCCCNc1ccnc2cc(Cl)ccc12 1706241 XSEQDLPSDCETSK-UHFFFAOYSA-N 277.799 3.688 0 40 CHAB CCOC(=O)CCCCC(=O)c1cc(C)ccc1C 2378838 SYRSVRIKVLLBBX-UHFFFAOYSA-N 262.349 3.610 0 40 CHAB Cc1ccc(C(=O)c2ccccc2CN2CCC2)c(C)c1 2515616 NVSIBHYHWIAVNB-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB Cc1ccc(F)cc1NC(=O)CCC(=O)c1cccs1 3302521 SCDJRTBDOSVYKA-UHFFFAOYSA-N 291.347 3.797 0 40 CHAB Cc1csc(S[C@H](C)C(=O)Nc2ccccc2C)n1 3413771 HCRFZJJBOMSOFO-LLVKDONJSA-N 292.429 3.879 0 40 CHAB CC1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1 4889363 GPNLJAZAPSEYDT-IAGOWNOFSA-N 267.372 3.603 0 40 CHAB Cc1nc(SCc2cc(C)on2)c2ccccc2n1 5315199 RIYCAHVUGBWZDG-UHFFFAOYSA-N 271.345 3.527 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)c1cccc(Cl)c1 5510743 CFWCRXRGCOGPAK-NSHDSACASA-N 289.762 3.840 0 40 CHAB O=C(Nc1cccc2ccccc12)OCc1ccccn1 5800650 HDANSUUYOSVYNI-UHFFFAOYSA-N 278.311 3.984 0 40 CHAB CC(C)(C)C(=O)Nc1ccc(Br)cc1F 5900845 ROSBRHGCAMOQFJ-UHFFFAOYSA-N 274.133 3.573 0 40 CHAB CCOP(=O)(OCC)[C@@](C)(O)c1ccc(C)c(C)c1 5953342 JFIDMJUGUGBJTJ-CQSZACIVSA-N 286.308 3.735 0 40 CHAB CC[C@H](O)[C@H](OC)n1c2ccccc2c2ccccc21 6366360 LFPIWXUJCHMLHC-IRXDYDNUSA-N 269.344 3.710 0 40 CHAB CCc1ccccc1NC(=O)C1(c2ccccc2)CC1 7724069 BZWSAJFLQOGQHQ-UHFFFAOYSA-N 265.356 3.919 0 40 CHAB CCOCCCNCc1cccc(Cl)c1Cl 8253200 BJQPRAISPXEGID-UHFFFAOYSA-N 262.180 3.510 0 40 CHAB Cc1cc(C(=O)NCc2ccc(F)cc2)c(C)n1C1CC1 8330132 JJDSSSLFGDFZMD-UHFFFAOYSA-N 286.350 3.509 0 40 CHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(F)cc2)cc1 8372292 JMFDECOPQYMWHG-GFCCVEGCSA-N 286.302 3.562 0 40 CHAB Cc1cccc(NC(=O)Cn2ccc3ccccc32)c1C 9235985 LAUHHWKQLIIBNS-UHFFFAOYSA-N 278.355 3.897 0 40 CHAB COc1ccc2cc(C(=O)Nc3ccccc3)c(C)nc2c1 10403074 LJWHLDUGGKWGPY-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CCOCCOc1ccccc1NC(=O)c1cccc(C)c1 10506345 QHJVMJYEASHTIQ-UHFFFAOYSA-N 299.370 3.663 0 40 CHAB CC(C)(C)CC(=O)NCCOc1ccc2ccccc2c1 10995170 QFDSKRKFVGRJEH-UHFFFAOYSA-N 285.387 3.771 0 40 CHAB O=C(O)c1ccc(COc2ccc(Cl)cc2)s1 12357623 FPNZMBIETZGMFF-UHFFFAOYSA-N 268.721 3.679 0 40 CHAB Cc1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1 14241295 YRYFQXDUMYOCJQ-CQSZACIVSA-N 268.360 3.920 0 40 CHAB CN(C)c1n/c(=N/c2ccc3ccccc3c2)ss1 17188970 BENONHDDQJUOFA-SQFISAMPSA-N 287.413 3.656 0 40 CHAB C[C@H](NC(=O)CC1CCCC1)c1ccc(-n2ccnc2)cc1 18048175 DKNRTXYXSGPMFG-AWEZNQCLSA-N 297.402 3.630 0 40 CHAB Cn1ccc([C@H]2CCCCCN2Cc2ccc(F)cc2)n1 19291074 ZYUZDVUVYWQOTJ-QGZVFWFLSA-N 287.382 3.677 0 40 CHAB Cc1ccsc1C(=O)Nc1cccc2cnccc12 21217788 IZHHSWIJBUPPHY-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB O=C(NC1CCCCCC1)c1ccc(F)c(F)c1F 28210862 YLAWHWVUFRFGGK-UHFFFAOYSA-N 271.282 3.557 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)CSCc2cccs2)C1 40069683 CRYNPAGUYNLJCD-VXGBXAGGSA-N 283.462 3.676 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)CSCc2cccs2)C1 40069684 CRYNPAGUYNLJCD-NWDGAFQWSA-N 283.462 3.676 0 40 CHAB CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(C)o1 40098758 UOBCFQVJANXFPI-LBPRGKRZSA-N 288.347 3.869 0 40 CHAB O=C1COc2cc(OCc3ccc(F)cc3Cl)ccc21 40217203 RYEOYSHDMKJVKW-UHFFFAOYSA-N 292.693 3.633 0 40 CHAB C[C@@H](NC(=O)CCC1CCCCC1)c1ccccn1 40457497 VJDRYGMHBRSFJL-CYBMUJFWSA-N 260.381 3.619 0 40 CHAB Cc1ccccc1NC(=O)Nc1cc(F)ccc1F 44845269 IGQSLCOLEUBBKB-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB COC(=O)c1cc2ccccc2cc1OCc1cc(C)on1 48264657 PQWYNXOVGKVWBX-UHFFFAOYSA-N 297.310 3.502 0 40 CHAB C[C@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)CCC2 53387258 NGVLMIQBWOXBLS-ZDUSSCGKSA-N 297.373 3.734 0 40 CHAB C/C(=C\C(=O)N1CCC[C@H]1c1ccccn1)c1ccccc1 56276239 WATPPVUIGFIWNP-JJJPLKNQSA-N 292.382 3.849 0 40 CHAB Cc1cccc(-n2ccnc2S[C@H]2CCCCC2=O)c1 58055505 VRQULJMETQAPTG-HNNXBMFYSA-N 286.400 3.785 0 40 CHAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)C(C)C)c1 58693266 DGLUITGPFZCTER-AWEZNQCLSA-N 279.449 3.697 0 40 CHAB CC(C)NC(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 71883996 MSVWPVZFCBNKLM-OAHLLOKOSA-N 297.402 3.763 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1Cl 72211497 DDYMZJRYWRFQMF-NSHDSACASA-N 282.771 3.807 0 40 CHAB CCc1nc(C)c([C@H](C)N(C)CCc2ccncc2)s1 76040343 SKAPCHBYFMWAEV-ZDUSSCGKSA-N 289.448 3.644 0 40 CHAB c1ccc(-n2ccc(CN[C@@H]3CCc4ccccc43)n2)cc1 89857619 VBHNNJLATPDLIX-LJQANCHMSA-N 289.382 3.649 0 40 CHAB CC[C@H](NCc1cc(C)on1)c1cc(F)ccc1F 95420850 NIDSUDOZCKXXFP-AWEZNQCLSA-N 266.291 3.502 0 40 CHAB Cc1[nH]c2ccc(C(F)(F)F)cc2c(=O)c1C(C)C 95534966 KAZAOFSEDSBABB-UHFFFAOYSA-N 269.266 3.979 0 40 CHAB O=C(CCc1ccccc1F)NC1CCCCCC1 96648865 FKDNPBYTBWTTCM-UHFFFAOYSA-N 263.356 3.597 0 40 CHAB C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(F)cc1 97037038 ISLLPFFAZGQQSP-KSSFIOAISA-N 299.393 3.543 0 40 CHAB Cc1cccc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 101397780 UQOHXOZETQDWMQ-KQTLUZQSSA-N 257.377 3.550 0 40 CHAB C[C@]12[C@H]3[C@@H]4CCC[C@@H]4[C@@H]4[C@@H]3[C@H]3[C@@H]5[C@@H]6CC[C@H]([C@@H]6[C@@H]31)[C@]21OC[C@@]541 104294785 MQVLKYFHCBNAPZ-RMKYBGSFSA-N 294.438 3.586 0 40 CHAB CCCCn1c(C)c(CN)c2cc(OCCC)ccc21 223756894 CAKLXQQZQOCQCV-UHFFFAOYSA-N 274.408 3.997 0 40 CHAB CC[C@H](C)n1ccc(NCc2ccnn2[C@@H](C)CC)n1 256053565 RYWQDMBBVZQAOP-STQMWFEESA-N 275.400 3.634 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)nc1)Oc1ccccc1 390828242 ANDKSYKADUHGNJ-UHFFFAOYSA-N 294.310 3.630 0 40 CHAB Cc1ccc(NC(=S)Nc2ccc3conc3c2)cc1 409197277 AKMDTOMFQGIBPR-UHFFFAOYSA-N 283.356 3.945 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1cc(Cl)cc(F)c1Cl 575360933 TWNQNZCXFHEGNA-UHFFFAOYSA-N 293.121 3.657 0 40 CHAB CC1(C)CCC2(CCN(C3CCCC3)CC2)CO1 1615192547 WRCMJRCRHPFWJE-UHFFFAOYSA-N 251.414 3.600 0 40 CHAB Cc1ncsc1CN1CC2(CC(c3ccccc3)C2)C1 1889119637 OHNXWFHGKPSLGR-UHFFFAOYSA-N 284.428 3.831 0 40 CHAB CCc1nnc2c3ccccc3c(-c3ccc(C)cc3)nn12 87130 SYXOILGWYKNEBR-UHFFFAOYSA-N 288.354 3.815 0 40 CHAB CCOc1ccccc1C(=O)Oc1ccc(C)c(C)c1 129435 ZKPWFJYPZHDPAF-UHFFFAOYSA-N 270.328 3.921 0 40 CHAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1 311661 RMRBLLORKPIXTP-KRWDZBQOSA-N 299.370 3.881 0 40 CHAB COc1cccc([C@H](O)c2ccc(Br)cc2)c1 37532242 RUJMKPWOXLACAZ-CQSZACIVSA-N 293.160 3.539 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1ccc(C)c(F)c1F 796962 DHJBSSAFFXBGIW-NSHDSACASA-N 267.319 3.678 0 40 CHAB Cc1ccccc1CCC(=O)OCc1cc(Cl)ccn1 72289656 GMYPZPNFNZKHFF-UHFFFAOYSA-N 289.762 3.719 0 40 CHAB CC(C)c1ccc(-c2nc3cc(N)ccc3[nH]2)cc1 4243971 DOHZEZKIFOIFML-UHFFFAOYSA-N 251.333 3.936 0 40 CHAB Nc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 7468009 UDJXNYIYRTVMMG-UHFFFAOYSA-N 262.312 3.674 0 40 CHAB Fc1cccc([C@H]2NCc3ccccc3-n3cccc32)c1 55028074 ONYKPVGUPQMSPC-GOSISDBHSA-N 278.330 3.809 0 40 CHAB CC(=O)O[C@@]12Cc3ccccc3[C@@H]3[C@@H](c4ccccc41)[C@@H]32 101043446 PCAWJPSEUIOFNG-MKXGPGLRSA-N 276.335 3.512 0 40 CHAB CC(C)NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 25992392 OSRQYPWDHGGQGQ-MRVPVSSYSA-N 275.179 3.762 0 40 CHAB C[C@@]12CC3CC(C(=O)NCc4cccnc4)(C1)C[C@@](C)(C3)C2 100798853 BMOXTRDXGVCHJL-FTJRRQOFSA-N 298.430 3.694 0 40 CHAB COc1ccc(NC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101013814 WWVGSAHKMLYXBR-VPWBDBDCSA-N 288.391 3.641 0 40 CHAB Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)O 36220994 NZMRTIXYURELRX-UHFFFAOYSA-N 297.379 3.823 0 40 CHAB CCOc1ccccc1NC(=O)C1(c2ccccc2)CC1 3333547 KQAVYADMFSYMLI-UHFFFAOYSA-N 281.355 3.756 0 40 CHAB CC(C)(C)C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 48326469 LBMXIAHPLFEAIA-CABCVRRESA-N 293.382 3.598 0 40 CHAB CC[C@]1(C)Nc2ccccc2C(=O)N1Cc1ccccc1 20636629 QSUXQGXDGGMAOR-GOSISDBHSA-N 280.371 3.881 0 40 CHAB Cc1cc(C)c(NC(=O)[C@@H]2COc3ccccc3C2)c(C)c1 9154586 XOJGKBYDDBXFJC-INIZCTEOSA-N 295.382 3.802 0 40 CHAB Cc1noc(C2CCN([C@@H]3CCCc4ccccc43)CC2)n1 65541136 KVEVTQLHKVUENV-QGZVFWFLSA-N 297.402 3.635 0 40 CHAB CCC(=O)Nc1ccc(Cl)c(NC(=O)CC(C)C)c1 14258458 ZIUIRWKMEWRIHX-UHFFFAOYSA-N 282.771 3.673 0 40 CHAB Cc1ccc(SCc2cc(=O)n3ccccc3n2)cc1C 15349904 MQOBYRIDLJBLGF-UHFFFAOYSA-N 296.395 3.604 0 40 CHAB Cc1ccc(F)c(Cn2cc([C@@H]3CC=CCC3)nn2)c1F 67966309 URHSDPJRCHAFFE-GFCCVEGCSA-N 289.329 3.737 0 40 CHAB C[C@H](O)c1ccc(-c2ccc(CNCc3ccco3)o2)cc1 7541239 KHQZTDACFBNOGA-ZDUSSCGKSA-N 297.354 3.883 0 40 CHAB Cc1c2c(nc3cc4c(cc13)OCO4)-c1ccccc1OC2 7786898 GIXDWDRKQZEHLZ-UHFFFAOYSA-N 291.306 3.831 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)c(O)c1 8241623 DYXZYWLPUQDQFT-UHFFFAOYSA-N 281.355 3.832 0 40 CHAB O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cc[nH]n1 69384789 HRPXMNZLJMVQQN-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1ccccc1N1CCCC1 18839500 TXDQOSIYVIHIPR-UHFFFAOYSA-N 298.361 3.607 0 40 CHAB Cn1c(CNc2cccc(OCCF)c2)nc2ccccc21 95429337 DINSRVXIIXIQMB-UHFFFAOYSA-N 299.349 3.534 0 40 CHAB COc1ccc2cc(Br)ccc2c1C(C)=O 34496427 CDRULXWHUOEENR-UHFFFAOYSA-N 279.133 3.814 0 40 CHAB Cc1ccc(F)cc1C(=O)c1ccc(F)c(F)c1 55199295 XTIRIQHPTADETK-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CC(C)=CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 30765072 AAQSJHJWVBLDTR-ORVZXPRGSA-N 261.409 3.674 0 40 CHAB CC(C)N1CCC[C@H]1c1cccnc1NC1CCC1 72213898 OVOWSUNNUJYNQK-HNNXBMFYSA-N 259.397 3.591 0 40 CHAB CCCN1CCCC[C@H]1c1cccnc1SC 72216960 NQOCQQMVFUAUAX-ZDUSSCGKSA-N 250.411 3.741 0 40 CHAB CNc1ccc([C@@H]2CCCN2Cc2ccccc2)c(C)n1 72219089 BFVRLGVVVMKXLJ-KRWDZBQOSA-N 281.403 3.769 0 40 CHAB Cc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccco1)C3 72373714 PZBBTIIKGGMNDO-UHFFFAOYSA-N 294.310 3.651 0 40 CHAB Cc1ccsc1-c1nnc(SC[C@H]2CCCCO2)o1 69808408 GMONNPUIOLNYTR-SNVBAGLBSA-N 296.417 3.768 0 40 CHAB Cc1ccc2[nH]c(-c3ccc(C(=O)NC(C)C)cc3)nc2c1 225259809 RYBAJQMXLATGIQ-UHFFFAOYSA-N 293.370 3.677 0 40 CHAB CCc1ccccc1NC(=O)NCc1sc(C)nc1C 86071753 BWMGLBAWZQOPBR-UHFFFAOYSA-N 289.404 3.644 0 40 CHAB COc1cccc(-c2ccccc2)c1C1=NC(C)(C)CO1 85388602 KWSXXNUPDKKSLY-UHFFFAOYSA-N 281.355 3.918 0 40 CHAB CNc1ccc(N2CCC(C)CC2)c(Br)c1 226275597 ZFEMBWFLZMNQAX-UHFFFAOYSA-N 283.213 3.727 0 40 CHAB COC(=O)/C=C/c1ccc(OCc2cccc(C)c2)cc1 85397238 MZCSZJYIFLODLL-DHZHZOJOSA-N 282.339 3.760 0 40 CHAB Cc1ccc(-n2ncc3c2C[C@@H](C)CC3=O)cc1Cl 199731180 HAEGBNXILOHXNO-SECBINFHSA-N 274.751 3.599 0 40 CHAB CCc1ccc(-c2cc(N)n(Cc3ccccc3)n2)cc1 199750600 ANQLZJOSTRNLIS-UHFFFAOYSA-N 277.371 3.743 0 40 CHAB CC(C)c1ccccc1OCC(=O)NC(C(C)C)C(C)C 222805279 BICRVBFPQUWPNL-UHFFFAOYSA-N 291.435 3.986 0 40 CHAB COc1cccc2c(NCc3ccc(F)cc3)nccc12 235036869 PLMJLRYTOQDZPG-UHFFFAOYSA-N 282.318 3.995 0 40 CHAB Cc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 95936999 NKICMGWGOYQTLL-UHFFFAOYSA-N 294.177 3.757 0 40 CHAB CC(C)CNC(=O)c1ccc(Oc2cccc(F)c2)o1 96183961 HIDCAGOGFOQLTL-UHFFFAOYSA-N 277.295 3.597 0 40 CHAB Clc1ccc2c(c1)N[C@H](c1ccc3c(c1)OCO3)CO2 96531184 HFYDEZIFYAZRIG-LBPRGKRZSA-N 289.718 3.614 0 40 CHAB Cc1c2c(c(C)c3ccncc13)S(=O)(=O)c1ccccc1-2 5983741 ZXFXICSWANUESF-UHFFFAOYSA-N 295.363 3.665 0 40 CHAB N[C@H](COc1ccccc1)c1cccc2ccccc12 19261070 YFAUMLMCDQTERU-GOSISDBHSA-N 263.340 3.919 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)c2ccc(C)cc2)cc1 19931397 BNBGEQJCGXCJFO-OAHLLOKOSA-N 267.372 3.723 0 40 CHAB CN(Cc1cccs1)C(=O)c1cc2cc(F)ccc2[nH]1 13024027 OKGGNDUTYTXLDS-UHFFFAOYSA-N 288.347 3.641 0 40 CHAB COc1ccc([C@@H](C)CNCc2ccccc2)cc1 1712555 JUMSAJVIOJPECG-AWEZNQCLSA-N 255.361 3.589 0 40 CHAB CCCCC[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1 8764494 AOSRZFRBMVTKJS-GFCCVEGCSA-N 258.365 3.867 0 40 CHAB biogenic NN[C@H](c1ccccc1)c1ccc(Cl)cc1Cl 161793337 GKSCWJZQEMZYLM-CYBMUJFWSA-N 267.159 3.546 0 40 CHAB CSc1ccc2nc(N3CC[C@@H](CF)C3)sc2c1 2086988599 ZOLUPSVOJOADAW-VIFPVBQESA-N 282.409 3.814 0 40 CHAB CSCCC(=O)c1cccc(C(F)(F)F)c1C 575361370 ZGAIIFSKHKNLMQ-UHFFFAOYSA-N 262.296 3.950 0 40 CHAB Cc1cccc(C(=O)n2cnc3cc(C)c(C)cc32)c1 83190 YCDFLQNVWKUNCR-UHFFFAOYSA-N 264.328 3.650 0 40 CHAB O=C(Cc1ccsc1)NC[C@H]1CCCc2ccccc21 30895501 DEZQGVUONLDAOT-OAHLLOKOSA-N 285.412 3.527 0 40 CHAB COC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1 106701 KRXPUDLIASTIKP-UHFFFAOYSA-N 273.336 3.720 0 40 CHAB NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 32629478 BAIWUKMVMBQKBH-UHFFFAOYSA-N 297.789 3.694 0 40 CHAB in-vitro O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@@H]1c1ccc(F)cc1 102193974 XWPUKPOIAAGVLC-ZFZWDLNGSA-N 285.362 3.701 0 40 CHAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 381091 WXGONXJMILNNOF-UHFFFAOYSA-N 293.322 3.697 0 40 CHAB biogenic c1ccc(CN2CC[C@H](Nc3nc4ccccc4o3)C2)cc1 41817345 QAMVXNUZKMRPQD-HNNXBMFYSA-N 293.370 3.514 0 40 CHAB Cc1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1 812398 MSUSKCIVKBMZEX-UHFFFAOYSA-N 276.295 3.645 0 40 CHAB CCCCOCCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 1719048 MGZDAYPGXNRHMP-KBPBESRZSA-N 268.397 3.585 0 40 CHAB CC(C)(C)C(=O)Nc1nc2c(F)cc(F)cc2s1 4331583 ICUPDRBCESSNIT-UHFFFAOYSA-N 270.304 3.559 0 40 CHAB CCCc1ccc(Br)cc1O[C@H]1CCCOC1 4900755 XEVVHZCELAIQOA-ZDUSSCGKSA-N 299.208 3.959 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCSc2ccccc21 105925130 ICFGXMOCVPXCBW-IHRRRGAJSA-N 287.428 3.952 0 40 CHAB Cc1ccc(CC(=O)Nc2ccccc2F)cc1C 6215703 OKKIRCVKINKHIK-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB CCCCN1C(=O)S[C@H](Cc2ccc(CC)cc2)C1=O 6647724 RQDZVGDBBOAMOS-CQSZACIVSA-N 291.416 3.656 0 40 CHAB CC(C)c1ccc(NC(=O)c2noc3c2CCCC3)cc1 7000270 VXBLKFBXFQHQKY-UHFFFAOYSA-N 284.359 3.929 0 40 CHAB Cc1cc(C)cc(OCC(=O)NC[C@@H](C)c2ccccc2)c1 8167311 YJVGSGTWXPUGLT-MRXNPFEDSA-N 297.398 3.602 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccn1 3065515 LHHAMCVPALNXOF-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1cc(OCc2nnc3n2CCCCC3)ccc1Cl 3241575 UPUFXWOHXZPDST-UHFFFAOYSA-N 291.782 3.545 0 40 CHAB C[C@H](N[C@H](c1ccccc1)c1ccccn1)c1ccncc1 95349344 HDYGSCJCLQWHCD-HNAYVOBHSA-N 289.382 3.917 0 40 CHAB Oc1ccc(-c2csc(NC3CCCCC3)n2)c(O)c1 9513152 TVRQBFFKDWBZBB-UHFFFAOYSA-N 290.388 3.966 0 40 CHAB C[C@@H](O)c1ccc(NC(=O)c2ccccc2Cl)cc1 35646258 RMWWKHOFMLXOFN-SNVBAGLBSA-N 275.735 3.646 0 40 CHAB Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)sc1C 27991575 JOMSMOVKPACURU-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB C1=C[C@H]2C[C@H]1C[C@H]2CN1CCC(N2CCCCCC2)CC1 100846645 PXTVFPROXZRZNC-BZSNNMDCSA-N 288.479 3.539 0 40 CHAB C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1)c1ccccc1 28927148 PHDZOWLMOCGQOD-ZDUSSCGKSA-N 291.354 3.568 0 40 CHAB O=C(c1ccccc1Cl)c1ccccc1CN1CC=CC1 2515901 VXOSCJREOHZSLH-UHFFFAOYSA-N 297.785 3.943 0 40 CHAB CC(=O)c1ccccc1NC(=O)CNc1ccc(C)c(C)c1 60463461 AQGJVAGUQGLRBS-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB CCCCCn1c([C@H](C)NC(=O)CC)nc2ccccc21 2601754 IKRFIHSDEOZQDN-ZDUSSCGKSA-N 287.407 3.814 0 40 CHAB CCc1n[nH]c(SCc2c(Cl)cccc2Cl)n1 12082602 LAVYKTNZWGZBSE-UHFFFAOYSA-N 288.203 3.966 0 40 CHAB Clc1ccc(NCc2nnc(C3CC3)o2)cc1Cl 72312430 WWEDCRSJFMCJGX-UHFFFAOYSA-N 284.146 3.866 0 40 CHAB Cc1cccc(CSc2nc3ncccc3[nH]2)c1 5456487 XHXISUQBHHTIGE-UHFFFAOYSA-N 255.346 3.559 0 40 CHAB O=C(O)c1ccccc1NCCc1ccc(Cl)cc1 5520615 KNCYBGUGQJEWTB-UHFFFAOYSA-N 275.735 3.693 0 40 CHAB CCCCNc1ncnc2c1c(C)c(C)n2-c1cccnc1 6661267 LYRZCHFMYKBNJF-UHFFFAOYSA-N 295.390 3.644 0 40 CHAB Clc1ccc(CNCc2ccco2)cc1Cl 4700195 TZOLYWIKTLNHDJ-UHFFFAOYSA-N 256.132 3.876 0 40 CHAB CCc1cccc(N[C@H](C)C(=O)Nc2ccccc2OC)c1 7240943 LPKSACIAWXBQER-CYBMUJFWSA-N 298.386 3.697 0 40 CHAB CCn1ccc(NC(=O)Nc2ccccc2C(F)(F)F)n1 27929944 CEVSRGKMQXXZKE-UHFFFAOYSA-N 298.268 3.566 0 40 CHAB CCCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412121 STKZCJRAPLZUSI-UHFFFAOYSA-N 289.375 3.915 0 40 CHAB Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)c(O)c1 8726086 CTMGWFREINQJLK-UHFFFAOYSA-N 292.338 3.744 0 40 CHAB COc1cccc([C@@H]2NCC[C@H]2c2ccccc2)c1 84238172 IJEGNJDSCQSXES-IRXDYDNUSA-N 253.345 3.513 0 40 CHAB in-vitro CCc1nc(C)c([C@@H](C)N(C)CCc2ccncc2)s1 76040342 SKAPCHBYFMWAEV-CYBMUJFWSA-N 289.448 3.644 0 40 CHAB NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 20429522 AUSNQSGELDROQW-UHFFFAOYSA-N 257.299 3.866 0 40 CHAB CC(C)COCc1nn(C2CCCC2)cc1Cl 408715595 WHCXYIOUMIRSEK-UHFFFAOYSA-N 256.777 3.824 0 40 CHAB COc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1N 36269862 DRIMHRPPFOUSFV-UHFFFAOYSA-N 284.359 3.653 0 40 CHAB Cc1cc(N)c(NC(=O)C(C)C)cc1N1CCCC[C@@H]1C 216864602 HEWDHURRZMPFJD-ZDUSSCGKSA-N 289.423 3.551 0 40 CHAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCCN1C=O 72214290 DURAJSBNVGTLIM-KRWDZBQOSA-N 295.386 3.533 0 40 CHAB C[C@@H](CC(=O)N1CCn2cccc2[C@H]1C)c1ccccc1 32753023 WILUHJAHOAKCQN-LSDHHAIUSA-N 282.387 3.585 0 40 CHAB Cn1ccc2ccc(C(=O)Nc3cccc4[nH]ccc34)cc21 70666627 HFSHOJPGSWBLFD-UHFFFAOYSA-N 289.338 3.912 0 40 CHAB biogenic Cc1c(N[C@H](C)c2ccccn2)cnn1-c1ccccc1 181233434 OZSLXTHUFOPYQY-CYBMUJFWSA-N 278.359 3.749 0 40 CHAB COC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 48545255 SNMRCUYSUKRCTN-VQHVLOKHSA-N 262.692 3.786 0 40 CHAB CCc1ccc(CC(=O)N2c3ccccc3C[C@H]2C)cc1 223895535 UCVAIEYDKVHURP-CQSZACIVSA-N 279.383 3.769 0 40 CHAB CCC(CC)C(=O)N1CCC[C@H]1c1csc(C)n1 193169424 HONMFPMAGMJMQN-ZDUSSCGKSA-N 266.410 3.551 0 40 CHAB CCc1ccc([C@H](C)N[C@@H](CC)c2c(C)nn(C)c2C)o1 133847629 OPSAMYKIPSLRIM-NHYWBVRUSA-N 289.423 3.994 0 40 CHAB CC(C)CCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1 46359531 CVLZEKVXAGOHJB-UHFFFAOYSA-N 278.783 3.939 0 40 CHAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1cccs1 48655970 AVXMIFBUOOUWIU-UHFFFAOYSA-N 295.429 3.580 0 40 CHAB COc1ccc(Cc2nc3cc(C)ccc3o2)cc1 199745335 PLZUGNWOFPLMJM-UHFFFAOYSA-N 253.301 3.736 0 40 CHAB CSc1ccccc1C(=O)NC[C@@H](C)c1ccccc1 144666884 HGVKVRXUISOKJJ-CYBMUJFWSA-N 285.412 3.942 0 40 CHAB C[C@@H]1CSc2ccccc2[C@@H]1NCc1cccnc1 95427018 RACKREXTFQOYNZ-MLGOLLRUSA-N 270.401 3.654 0 40 CHAB CC[C@H](C)n1nccc1CNc1cc(C)n(CC(C)C)n1 256053267 QTSYDDIPTWKIDN-ZDUSSCGKSA-N 289.427 3.627 0 40 CHAB Cc1cc2c(cc1C)N([C@@H](C)C(=O)O)C(C)(C)C[C@H]2C 260612809 BCORGBKIZUXZMR-OLZOCXBDSA-N 275.392 3.869 0 40 CHAB O=C(c1cccc(F)c1)c1cc(F)cc(Cl)c1 95916201 APWPPEIUBKEXME-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB Cc1cnc([C@@H](C)Nc2ccc(Cl)c(C)c2)cn1 656127921 CHDPYNPCXWTKSS-LLVKDONJSA-N 261.756 3.920 0 40 CHAB CC(C)Oc1nc2ccc(C(F)(F)F)cc2cc1C(=O)O 685936845 CGSAGLXKTKJDPD-UHFFFAOYSA-N 299.248 3.739 0 40 CHAB COCc1ccccc1NC(=O)Nc1ccc(F)cc1C 75138292 LNZZYSCJYDRKDQ-UHFFFAOYSA-N 288.322 3.925 0 40 CHAB CCCCCNC(=O)[C@H](C)Oc1cccc2ccccc12 13709294 MSDNBRDPCSZNKK-AWEZNQCLSA-N 285.387 3.914 0 40 CHAB CCc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)cc1 19803815 VNAUDNZMSBKYKT-UHFFFAOYSA-N 297.383 3.693 0 40 CHAB O=C(c1ccsc1)N1CCS[C@H](c2ccco2)CC1 207010205 ITCOGEHKQNNXEB-ZDUSSCGKSA-N 293.413 3.662 0 40 CHAB Cc1ccc(C)c(NCc2nc(-c3ccoc3)no2)c1 105606114 OHSSAPRAVLFGQT-UHFFFAOYSA-N 269.304 3.559 0 40 CHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCc2ccccc21 5672571 VNXPKHKMHPHTOA-UHFFFAOYSA-N 291.272 3.908 0 40 CHAB COc1ccc(CNc2cc(F)ccc2F)cc1OC 19907752 BDBPSWTWZMKLEF-UHFFFAOYSA-N 279.286 3.594 0 40 CHAB Cc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1 8606679 YGMZNFYVJHLPQA-UHFFFAOYSA-N 273.361 3.553 0 40 CHAB CC(C)(C)c1ccc(Cn2ncc3ccccc3c2=O)cc1 32892 IYQNSAHHNRXRQN-UHFFFAOYSA-N 292.382 3.742 0 40 CHAB COc1ccc2c(c1)C(=O)C[C@@H](c1ccc(F)cc1)O2 388788 VARCHUJAXLHBPL-INIZCTEOSA-N 272.275 3.541 0 40 CHAB biogenic C[C@@H]1OC(c2ccccc2)(c2ccccc2)O[C@H]1C 378189 LSSAXVFWCRKZIZ-KBPBESRZSA-N 254.329 3.712 0 40 CHAB S=C(NCCC1=CCCCC1)N[C@@H]1C[C@H]2CC[C@H]1C2 102266958 YAYHICSFBCRGRJ-SOUVJXGZSA-N 278.465 3.530 0 40 CHAB O=C(/C=C/c1ccccc1F)Nc1ccnn1C1CCCC1 32739315 DGYHMQYVPWTHBP-MDZDMXLPSA-N 299.349 3.789 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 557750 RXWKRTGGOVFHIS-UHFFFAOYSA-N 293.269 3.549 0 40 CHAB Cc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl 22152394 KWPFAIJIWYLDLQ-UHFFFAOYSA-N 289.549 3.501 0 40 CHAB CC[C@@H](C)NC(=O)Nc1ccc(Br)cc1F 137469 GRZMTFRCPAITNC-SSDOTTSWSA-N 289.148 3.508 0 40 CHAB C[C@@H](NC(=O)c1cc2ccccc2o1)c1cccs1 267391 UJLIPVGYHFCRKK-SNVBAGLBSA-N 271.341 3.985 0 40 CHAB Cc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1C 1264784 DKOCKHUEWHHXNS-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB COc1ccc(CNc2ncnc3sc(C)c(C)c23)cc1 3327847 FJGOFHOMHXBORD-UHFFFAOYSA-N 299.399 3.929 0 40 CHAB CC(=O)c1ccc(OC(=O)c2cc3c(s2)CCC3)cc1 3425178 QIESPHGJAZYDGC-UHFFFAOYSA-N 286.352 3.659 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(F)cc2)c1 3431003 ZLOFFTMDYIENCH-CYBMUJFWSA-N 271.335 3.934 0 40 CHAB CCCCN(C)C(=O)CCCc1c[nH]c2ccccc12 4559845 CJGZUXJYTPACKE-UHFFFAOYSA-N 272.392 3.749 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)c1cc2ccccc2o1 5510695 WVFIGEOIJNNBIG-GFCCVEGCSA-N 295.338 3.932 0 40 CHAB O=C(O)/C=C\c1ccccc1Oc1ccc(F)cc1 5771256 BXEPYPAITBZKTN-YHYXMXQVSA-N 258.248 3.716 0 40 CHAB Brc1c(-c2ccncc2)[nH]c2ccccc12 5800526 XKORZMJGALMJEI-UHFFFAOYSA-N 273.133 3.992 0 40 CHAB CCN(CC)CCCNc1nc2ccccc2n1C(C)C 6869478 YBLCPDSCJQAGIL-UHFFFAOYSA-N 288.439 3.761 0 40 CHAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1 7951179 QVLPVCUCMKQZJV-UHFFFAOYSA-N 266.344 3.539 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10321922 BUCRDNJATNFKPP-IUODEOHRSA-N 291.354 3.596 0 40 CHAB COc1ccc(-c2nc3ccc(C)cc3[nH]2)c(OC)c1 11902727 QBMVOTSFZUWIMT-UHFFFAOYSA-N 268.316 3.556 0 40 CHAB Cc1ccc(SCCC(=O)Nc2cccnc2)cc1C 12586997 AYZUZPMAOFIBHY-UHFFFAOYSA-N 286.400 3.819 0 40 CHAB Cc1ccc(-c2ccnc3nc4ccccc4n23)cc1 13637084 AAZCUADJMOSBLX-UHFFFAOYSA-N 259.312 3.858 0 40 CHAB CCc1ccc(OCc2nc3cc(OC)ccc3[nH]2)cc1 16903877 IUSABBYZEMXWMK-UHFFFAOYSA-N 282.343 3.713 0 40 CHAB O=Cc1csc(-c2ccc(Cl)cc2Cl)n1 23529003 WHSDMIWQSPNIJB-UHFFFAOYSA-N 258.129 3.929 0 40 CHAB Cc1cc(Sc2ccc(Cl)cc2)n2ncnc2c1 24985362 LJWXMBWQWLJFJX-UHFFFAOYSA-N 275.764 3.842 0 40 CHAB C[C@H](CNC(=O)NC[C@H](C)c1ccccc1)c1ccccc1 25053658 DGBPBGMPCPPOAD-IYBDPMFKSA-N 296.414 3.893 0 40 CHAB CC(C)[C@H](NC(=O)c1ccoc1)c1ccc(F)cc1 26867995 FPHBEEFLRURELW-AWEZNQCLSA-N 261.296 3.546 0 40 CHAB O=C(NCC(F)(F)F)c1ccccc1Nc1ccccc1 29974725 SSLBRBIMHVSGOE-UHFFFAOYSA-N 294.276 3.722 0 40 CHAB COc1ccc(-c2csc(Br)n2)cc1 31772073 FBYVCEPGVMXUCI-UHFFFAOYSA-N 270.151 3.581 0 40 CHAB Cc1sc2[nH]c(/C=C/c3ccccc3)nc(=O)c2c1C 34070678 FZZBQCPYUMANDD-CMDGGOBGSA-N 282.368 3.772 0 40 CHAB Cc1ccc(-c2nnn([C@@H](C)c3ccccc3Cl)n2)cc1 35264573 ZNTZGPPOBSSMNT-LBPRGKRZSA-N 298.777 3.911 0 40 CHAB Cc1ccc(Cc2sc(N)nc2C)c(Cl)c1 36852874 ZUIKPLYQEVKDIK-UHFFFAOYSA-N 252.770 3.586 0 40 CHAB C[C@@H]1CCCCN1Cc1ccc(Br)cc1F 42205983 OZZROOCKZCBKHC-SNVBAGLBSA-N 286.188 3.963 0 40 CHAB O[C@H](c1ccc(OCc2ccccc2)cc1)C(F)(F)F 43367874 VTKDFWOSQCKLGJ-CQSZACIVSA-N 282.261 3.861 0 40 CHAB Cc1ccc([C@H](C)NC(=O)c2cc3c(F)cccc3[nH]2)o1 44011996 WELSODBVVRDNBZ-JTQLQIEISA-N 286.306 3.699 0 40 CHAB Cc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1C 45889143 CKIQQORHEJMNAV-UHFFFAOYSA-N 268.360 3.755 0 40 CHAB CC[C@H](C)Cc1c(C)sc2nc(C3CC3)[nH]c(=O)c12 48860663 RXWZMQUNZLBPHX-QMMMGPOBSA-N 276.405 3.759 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1cccc(F)c1 55862643 IRMGNUYFPROYPC-XJKSGUPXSA-N 273.351 3.846 0 40 CHAB Cc1ccc(-c2nccn2CCCO)c(Cl)c1Cl 71750803 IRFGHXBAQLUUQR-UHFFFAOYSA-N 285.174 3.548 0 40 CHAB CC[C@H](Nc1ccc(OC)c(CO)c1)c1ccccc1 71902561 ZCLGQGDDYLTQKG-INIZCTEOSA-N 271.360 3.751 0 40 CHAB CCOc1ccc(/C=C/C(=O)OC2(C3CC3)CC2)cc1 72310746 NZSIUEHOUQXBPU-BJMVGYQFSA-N 272.344 3.584 0 40 CHAB CC(C)CN(CC(C)C)C(=O)CNc1ccccc1Cl 72314799 CNJIFNHXDBGTAB-UHFFFAOYSA-N 296.842 3.893 0 40 CHAB Nc1ccccc1OCCCC(F)(F)C(F)(F)F 95094039 PRHCEDSKBJDIBV-UHFFFAOYSA-N 269.213 3.625 0 40 CHAB Clc1ncc(NCc2cccnc2)cc1Br 95990284 BCLJORGKSNEENO-UHFFFAOYSA-N 298.571 3.505 0 40 CHAB CC[C@H](c1ccncc1)N(CC)C(=O)CSC(C)(C)C 96416816 WUOXRORLZYEVJE-CQSZACIVSA-N 294.464 3.913 0 40 CHAB Fc1ccc2c(c1)OCCC[C@@H]2NC1CCSCC1 97038962 VQSVPQSMOXILDJ-AWEZNQCLSA-N 281.396 3.525 0 40 CHAB CCCn1cc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cn1 97377343 LEFQOOACMPTART-NSHDSACASA-N 276.384 3.752 0 40 CHAB Cc1cccc(NC(=O)c2cc(F)cc(F)c2)c1F 98072817 LZGKASVEWGKVQL-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCc1ccc(Cl)s1 106526348 ZIDLLCFWJFJAMG-SRVKXCTJSA-N 297.851 3.887 0 40 CHAB Clc1cccc(-c2nnc(-c3cnc(C4CC4)nc3)o2)c1 216608348 MHOXSDDZMWKSOR-UHFFFAOYSA-N 298.733 3.724 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)NCC1CCCCC1 224435942 XKDLTLUGRDLOME-MRXNPFEDSA-N 289.419 3.849 0 40 CHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)C(C)C 225230625 GMHVAEXWCFKQBA-GOEBONIOSA-N 277.408 3.622 0 40 CHAB Nc1ccc([C@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 226296914 AYOAXPIBPNLUTC-FQEVSTJZSA-N 287.362 3.922 0 40 CHAB Cc1cc(C(=O)C(F)(F)Cl)cc(C)c1Cl 308804632 NQEDSWOQKXFFAA-UHFFFAOYSA-N 253.075 3.971 0 40 CHAB Cc1csc(C(=O)N2CC[C@@H](c3cccs3)C2)c1 825257223 FCRLLVQWQUYHBX-LLVKDONJSA-N 277.414 3.748 0 40 CHAB O=C(NCc1cccs1)N1CC[C@H](c2cccs2)C1 827907336 SMRHJXYFJVLIGC-NSHDSACASA-N 292.429 3.509 0 40 CHAB CCOc1ccccc1C(=O)Nc1ccc(C)c(C)c1 128784 HHNHASOYDVLERU-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCCCCC(=O)O[C@H](C)COc1ccccc1 1874389 IOGURQILKBZVIJ-CYBMUJFWSA-N 250.338 3.577 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](C)Sc1ccc(C)cc1 6946933 DMGGIBFRHXRCSW-STQMWFEESA-N 265.422 3.780 0 40 CHAB COc1ccc(-n2nc(-c3ccccc3C)cc2O)cc1 9939695 XFBVBEMEISOTHO-UHFFFAOYSA-N 280.327 3.562 0 40 CHAB O=[S@](Cc1ccccc1)Cc1cccc(Cl)c1 58184114 RZNLTHJHFXGYNC-KRWDZBQOSA-N 264.777 3.789 0 40 CHAB CN(C)Cc1ccc(NC(=O)Nc2ccccc2F)cc1 45030518 SLIODZDLYSFPPO-UHFFFAOYSA-N 287.338 3.531 0 40 CHAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 11588648 SWSXUIFHQYDLHO-AWEZNQCLSA-N 260.720 3.751 0 40 CHAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cscn1 59895921 RNGKWHWALGUHPK-UHFFFAOYSA-N 288.372 3.717 0 40 CHAB O=C(CSc1cccc2ccccc12)N1CCCCC1 59134332 HBHHYNLMJJLSFJ-UHFFFAOYSA-N 285.412 3.944 0 40 CHAB Cc1nn(-c2ccc(NC(=O)C(C)C)cc2)c(C)c1Cl 27925147 IZFSGVPGVILXCN-UHFFFAOYSA-N 291.782 3.737 0 40 CHAB CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1 2744480 BARIIFZXUOIJGU-ZDUSSCGKSA-N 251.757 3.745 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)c1csc2ccccc12 12917494 AXSQRWLFTVDNHS-UHFFFAOYSA-N 285.372 3.504 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)NCc1cccc(C)c1 20050208 XABIMWGGQDYKDY-OAHLLOKOSA-N 297.398 3.641 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3nc(C)cn3c2)C1(C)C 65518277 ALDVBXYHIHRBQN-GOEBONIOSA-N 297.402 3.820 0 40 CHAB Cc1ccc(-c2n[nH]cc2CNCc2ccccc2)cc1 6565384 YCDGSQZJXKAGRF-UHFFFAOYSA-N 277.371 3.675 0 40 CHAB CC(C)c1n[nH]c(N)c1-c1ccc(Br)cc1 20635967 GNYHFTPHTACGMZ-UHFFFAOYSA-N 280.169 3.545 0 40 CHAB CCCC[C@@H](CC)CNC(=O)Cn1ccc2ccccc21 4676638 AKTBXENPVBPQRJ-OAHLLOKOSA-N 286.419 3.974 0 40 CHAB CN(C)c1cccc(Oc2c(N)cccc2Cl)c1 14629263 SYMVXKHDYVFPBQ-UHFFFAOYSA-N 262.740 3.781 0 40 CHAB O=C(CCC1CCCC1)Nc1noc2ccccc12 6810190 KZPACIUYLCYTOR-UHFFFAOYSA-N 258.321 3.737 0 40 CHAB CS[C@@H](C)c1cccc(NC(=O)c2ccnc(F)c2)c1 67237198 WMCCFTVEPZMUDH-JTQLQIEISA-N 290.363 3.897 0 40 CHAB Cc1cc(OCC(=O)Nc2cccnc2)ccc1C(C)C 15436389 QOOPGXQXDGTFIK-UHFFFAOYSA-N 284.359 3.531 0 40 CHAB Cc1nc(-c2cccs2)c(CCC(=O)NC(C)C)s1 19819599 QYPFUNANEVLQFD-UHFFFAOYSA-N 294.445 3.637 0 40 CHAB C[C@@H](NC(=S)NC1CC1)c1ccc2ccccc2c1 16240661 VWNSKVVSPPOITQ-LLVKDONJSA-N 270.401 3.527 0 40 CHAB CCOC(=O)c1c(Cc2ccccc2Cl)c[nH]c1C 20272531 YQYLNGCGPCFYGM-UHFFFAOYSA-N 277.751 3.744 0 40 CHAB COCc1cccc(NC(=O)c2cccc(Cl)c2)c1 29144024 BHIGAIQSWXMSEQ-UHFFFAOYSA-N 275.735 3.739 0 40 CHAB CCCCOCCC(Cl)(Cl)C(F)(F)F 2530675 FYEZPWQRDJPSTL-UHFFFAOYSA-N 253.091 3.929 0 40 CHAB biogenic O=C(c1ccsc1)c1cccc(Br)c1 34607682 GHCSNYCUSDAYOB-UHFFFAOYSA-N 267.147 3.742 0 40 CHAB CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)CCSC)c1 77441840 DSGFKBQUPXAGCH-NWDGAFQWSA-N 296.436 3.657 0 40 CHAB CNC[C@@H]1C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 70453168 HSFKHCXRMWCJII-IUCAKERBSA-N 263.690 3.682 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccco1 72221570 XFMRBFGFKMIXOX-NSHDSACASA-N 251.326 3.742 0 40 CHAB Clc1ccc([C@@H]2OCCN2Cc2ccccc2)cc1 31659664 JFQQAIRAKHNKRI-INIZCTEOSA-N 273.763 3.871 0 40 CHAB CCc1ccc2oc(-c3cc(N)cc(N)c3C)nc2c1 216735669 VYBQXEXHTBCFDG-UHFFFAOYSA-N 267.332 3.530 0 40 CHAB O=C([C@H]1CCCS1)N1CCCCC[C@H]1c1ccco1 75201195 LFNWZZIGPMXOHY-GXTWGEPZSA-N 279.405 3.619 0 40 CHAB Cc1ccc(OCc2nc3ccccc3n2C)c(C)c1 40389130 KWMYFUQGKFIPII-UHFFFAOYSA-N 266.344 3.769 0 40 CHAB COc1ccc2c(c1)N(C(C)(C)C(=O)O)C(C)(C)C=C2C 223204162 FWFFLJQRRHEUFE-UHFFFAOYSA-N 289.375 3.560 0 40 CHAB COc1ccccc1C(=O)Nc1ccc2[nH]c(C)cc2c1 40072710 TVJBCVFUQSQJMK-UHFFFAOYSA-N 280.327 3.737 0 40 CHAB Cc1ccc2c(c1)N(C(C)(C)C(=O)O)C(C)(C)C[C@@H]2C 223204574 LWCNWBJOCNZDMW-LBPRGKRZSA-N 275.392 3.950 0 40 CHAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccnc2)cc1 225429407 GGQBRVMOTDUZKQ-QGZVFWFLSA-N 298.386 3.607 0 40 CHAB O=C1Nc2cc(Br)ccc2C12CCCCC2 43828182 PSTLTQRIXYVFHG-UHFFFAOYSA-N 280.165 3.603 0 40 CHAB Cc1ccc(CCCNC(=S)Nc2cc(C)ccn2)cc1 225390012 JEYMPRMHUAQQGT-UHFFFAOYSA-N 299.443 3.618 0 40 CHAB Cc1ccc(CN(C)c2ccnc3ccncc23)s1 85681925 HQUJIMGSCPPGIE-UHFFFAOYSA-N 269.373 3.636 0 40 CHAB CC(C)N(C[Si](C)(C)C)C(=O)Nc1ccccc1 195795015 WVTLXUHDJKCQOX-UHFFFAOYSA-N 264.445 3.806 0 40 CHAB CC(C)n1cc([C@@H](C)NC[C@H](C)c2ccsc2)cn1 96478886 FJBLTJLVJXQILC-QWHCGFSZSA-N 277.437 3.980 0 40 CHAB Cc1ccc(CN2CCCC[C@H]2c2ccncn2)cc1 257234328 GTAGFRXLSYQFJS-KRWDZBQOSA-N 267.376 3.512 0 40 CHAB CC(C)c1ccnc2c(N)c(Br)ccc12 575423703 QSRUJIBWDGUWOQ-UHFFFAOYSA-N 265.154 3.703 0 40 CHAB CCCCC(=O)c1ccc(OCCN2CCCC2)cc1 575242648 CEIOYRXWNIVJBI-UHFFFAOYSA-N 275.392 3.534 0 40 CHAB CC(=C/c1ccccc1)/C=C1/N=C(c2ccccc2)OC1=O 178384 UVKZWZBCYDRXJB-XSZMWJROSA-N 289.334 3.977 0 40 CHAB O=C(O)c1cccc(NCc2ccccc2Cl)c1 32112211 DQDZITKRBMSBKX-UHFFFAOYSA-N 261.708 3.650 0 40 CHAB Cc1ncnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1C 1888866826 APFPKRJFLHRLSI-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB CC(=O)O[C@@H]1C[C@]2(C)CC[C@H](C(C)C)[C@]23CC[C@@]1(C)O3 5731861 CPOIBZCPCUMJTQ-NQNKBUKLSA-N 280.408 3.702 0 40 CHAB C[C@H]1CCCN(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C1 13133071 UIMQZAVFCDNWAF-HOSYDEDBSA-N 290.234 3.836 0 40 CHAB Cc1cc(C)c2c(CN3CCCC[C@@H]3C)cc(=O)oc2c1 2365321 FOXGHKCOGKUNIR-AWEZNQCLSA-N 285.387 3.784 0 40 CHAB biogenic O=C(CSc1ccc(Cl)cc1)Nc1cccc(O)c1 6882661 WABBGFCXCJDAOA-UHFFFAOYSA-N 293.775 3.776 0 40 CHAB c1ccc2c(c1)CC[C@H]2Nc1ncnc2sccc12 12889371 RDLKCTFCPATGON-CYBMUJFWSA-N 267.357 3.791 0 40 CHAB Cc1cc(F)c(F)c(C(=O)Nc2cccc(F)c2)c1 35180 CSNBDIAEDHHQFC-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB CC[C@@H](C(=O)c1ccc2c(c1)OCCO2)c1ccccc1 37354124 QKJUSGQUECDTIT-OAHLLOKOSA-N 282.339 3.834 0 40 CHAB CCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 34003605 CQSMNXCTDMLMLM-CYBMUJFWSA-N 282.339 3.584 0 40 CHAB in-vitro Cc1ccccc1COc1cccc2[nH]c(C(=O)O)cc12 40352014 DKHAYZLSEDAZNF-UHFFFAOYSA-N 281.311 3.754 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C)cc1 364586 YBZDKVKPEFXAAS-CQSZACIVSA-N 269.344 3.709 0 40 CHAB CCC[C@@H](NC(=O)NOCc1ccccc1)c1ccccc1 32795280 GRAUPFSTSQSGIA-QGZVFWFLSA-N 298.386 3.959 0 40 CHAB CCOc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 483014 KALVJNAJVXPCOE-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB C[C@H](CN1CCCC1)OC(=O)c1ccc(C(C)(C)C)cc1 210658 AXRAWKAINQRNFO-CQSZACIVSA-N 289.419 3.625 0 40 CHAB CN(C)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1 1621982 PYNZQZBFWIHYCQ-UHFFFAOYSA-N 292.338 3.666 0 40 CHAB CC(C)[C@@H](C)NC(=O)Cc1csc(-c2ccccc2)n1 12592613 LPCFKNLXEMYSNA-GFCCVEGCSA-N 288.416 3.513 0 40 CHAB COc1cccc(C(=O)Nc2ccc(Cl)cc2C)c1 3553954 MSQCPFQKNOAZBH-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB Cc1ccc(C2=NN[C@H](c3cccc(F)c3)S2)cc1 3644736 OMVYXQCHRMYOEY-HNNXBMFYSA-N 272.348 3.831 0 40 CHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101380090 NBDWCOHJPGBZBD-CVMIBZJCSA-N 277.795 3.895 0 40 CHAB Cc1cc(Nc2nc(-c3ccc(F)cc3)cs2)n(C)n1 24751475 ALOXXMIPPRBJJB-UHFFFAOYSA-N 288.351 3.735 0 40 CHAB O=C(Nc1ccccc1Cc1ccccc1)N1CCCC1 43339650 MBINJCZRJJEJSD-UHFFFAOYSA-N 280.371 3.905 0 40 CHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(C)cc1 3262814 QXZDKPGOGFUZAX-UHFFFAOYSA-N 298.338 3.563 0 40 CHAB C/C(Nc1ccc(Cl)c(Cl)c1)=C1/CCOC1=O 104156916 OWYHQEWAZDLFMW-VQHVLOKHSA-N 272.131 3.626 0 40 CHAB Cc1cc(C)c2sc(NCc3ccccn3)nc2c1 26422468 CAHUJWLSLFJCJP-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB c1ccc(-c2nnc(-c3c[nH]c4ccccc34)o2)cc1 26424423 MMRKZTRRBCSTDD-UHFFFAOYSA-N 261.284 3.885 0 40 CHAB CC1CCC(NC(=O)Nc2ccccc2-n2cccn2)CC1 48152472 UPQSAYMBVXMNLC-UHFFFAOYSA-N 298.390 3.573 0 40 CHAB CCc1cccc(C)c1NC(=O)CC(CC)(CC)C(=O)O 10169529 ZNWZKVFFGXLWBF-UHFFFAOYSA-N 291.391 3.777 0 40 CHAB c1ccc2c(c1)CCCN2CCNc1nc2ccccc2o1 58358185 FUZMQLQZPJKQIE-UHFFFAOYSA-N 293.370 3.693 0 40 CHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1C 59351204 ZSLRECYCRLMILL-HOTGVXAUSA-N 297.398 3.948 0 40 CHAB Cc1ccc(C[S@@](=O)Cc2ccccc2C)cc1 58168122 ACHVAXKHEDFMTO-SFHVURJKSA-N 258.386 3.752 0 40 CHAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccccc1Cl 100227581 BRIMBVNNBNSQCR-GUYCJALGSA-N 299.805 3.700 0 40 CHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C=O)cc1 2558265 DXDSVGUXUANIKU-UHFFFAOYSA-N 276.339 3.719 0 40 CHAB Cc1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 11914908 CLTJEVNHSTWPHU-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB c1ccc2c(-c3csc(NC[C@@H]4CCCO4)n3)c[nH]c2c1 2628038 SSMNTCZIOXCFQJ-NSHDSACASA-N 299.399 3.882 0 40 CHAB CSc1ccccc1C(=O)N[C@@H]1CCCc2occc21 12905638 MPFXBNVFDWKJRW-CYBMUJFWSA-N 287.384 3.809 0 40 CHAB CC1(C)C[C@@](CC(=O)O)(Cc2ccccc2Cl)CCO1 4442410 DTWHZFUUSCPCPG-MRXNPFEDSA-N 296.794 3.933 0 40 CHAB CC[C@@H](NC(=O)c1c(OC)cccc1OC)c1ccccc1 20490018 CYKWMLVTBHJVJS-CQSZACIVSA-N 299.370 3.585 0 40 CHAB O=C(CC1CCCCC1)OCC(=O)c1c[nH]c2ccccc12 5937908 FIPNCTAUHKASGT-UHFFFAOYSA-N 299.370 3.864 0 40 CHAB CC(C)N1CCC[C@H](Cc2ccnc(Cl)c2)CC1 72343843 LBEJKSLNZLPGAT-ZDUSSCGKSA-N 266.816 3.788 0 40 CHAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1cc2ccccc2o1 8238891 HYBMSVTUCWGHIE-GFCCVEGCSA-N 297.329 3.992 0 40 CHAB CO[C@@H](C)c1cccc(NC(=O)[C@@H](OC)c2ccccc2)c1 69811747 XMBYTGXQPMQETR-GUYCJALGSA-N 299.370 3.720 0 40 CHAB COc1ccc(C)cc1CC(=O)Nc1c(C)cccc1C 19295168 PLUARUARVCRLHD-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB COC(=O)[C@H](C)CSCc1cc2ccccc2s1 95997533 HONCUOYFZOJZNB-SNVBAGLBSA-N 280.414 3.944 0 40 CHAB COc1ccc(Cn2ccc3c(Cl)ccnc32)cc1 514252104 LMHVGTYIKVXNMR-UHFFFAOYSA-N 272.735 3.747 0 40 CHAB Cc1cccnc1[C@@H](NC(=O)c1cccs1)C(C)C 79358056 GLJBEDMYZXYWKB-ZDUSSCGKSA-N 274.389 3.579 0 40 CHAB Nc1ccc2nc(-c3cccc(Br)c3)oc2c1 31899429 PFRJGHCBRHTNED-UHFFFAOYSA-N 289.132 3.840 0 40 CHAB FC(F)(F)c1cc(N2C[C@H]3CCCC[C@H]3C2)ccn1 450770302 FDHMFLCKLPMGDT-PHIMTYICSA-N 270.298 3.727 0 40 CHAB C[C@H]1CCC[C@@H](C)N1CCCOc1ccc(C=O)cc1 217790314 PFGDLLKEWPKCDC-GASCZTMLSA-N 275.392 3.531 0 40 CHAB CCCCOc1ccc(CN[C@H](C)CC)cc1OC 32114236 SHVRMTFGDPFBLU-CYBMUJFWSA-N 265.397 3.762 0 40 CHAB COc1cc(C)c([C@H]2CCCN2Cc2ccccc2)cn1 72218006 IHSBZHOZMLNGCR-QGZVFWFLSA-N 282.387 3.736 0 40 CHAB CCOC(=O)c1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C 35320767 CKCHTECIZCGJNT-UHFFFAOYSA-N 298.264 3.581 0 40 CHAB COc1ccc(CN(C)C(=O)c2cc(C)ccc2C)cc1 44818795 ONEUSVAXODFDFZ-UHFFFAOYSA-N 283.371 3.584 0 40 CHAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)C(C)C 225216283 PJWFVAAIJROPLV-UONOGXRCSA-N 277.408 3.738 0 40 CHAB S=C(Nc1ccccc1)NC1(c2cccnc2)CCCC1 225840261 VFMACUMTCSAUIY-UHFFFAOYSA-N 297.427 3.838 0 40 CHAB CCn1c(CNCc2ccco2)ccc1Cc1ccco1 226021597 OXCCDGLFWIFZID-UHFFFAOYSA-N 284.359 3.575 0 40 CHAB S=C(NCc1ccccc1)Nc1ccc2sncc2c1 225172053 FFSINNXACFKBAU-UHFFFAOYSA-N 299.424 3.783 0 40 CHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccccc1F 45954203 SXTXKNSFJDSIII-IUODEOHRSA-N 294.370 3.543 0 40 CHAB Cc1ccccc1[C@@H](NCc1ncc[nH]1)C(C)(C)C 80347436 RJOQDENIAXTRHU-OAHLLOKOSA-N 257.381 3.595 0 40 CHAB C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1ccccc1 96318759 DVFVULWSBWKNRS-HDICACEKSA-N 294.442 3.781 0 40 CHAB Cc1cccc(-c2n[nH]c([C@H](C)c3ccccc3)n2)c1 642882508 FSTYYOABYCSNJC-CYBMUJFWSA-N 263.344 3.932 0 40 CHAB Cc1c(C(C)C)[nH]c2cccc(C(F)(F)F)c2c1=O 685938626 QRMFIRMJTVPBAP-UHFFFAOYSA-N 269.266 3.979 0 40 CHAB CC[C@H](C)C(=O)c1c(F)c(F)c(F)c(F)c1F 169168131 RFQXVLGMCNDENK-BYPYZUCNSA-N 252.182 3.611 0 40 CHAB NC(=O)c1cccc(OCc2cccc3ccccc23)c1 42645468 ZNTOOYNPQZFIRO-UHFFFAOYSA-N 277.323 3.518 0 40 CHAB C[n+]1ccccc1/C=C\c1ccc(O)c2ccccc12 5049309 FGDYHSADVGGTPT-UHFFFAOYSA-O 262.332 3.540 0 40 CHAB O=C(Nc1ccccc1)OCC(Cl)(Cl)Cl 1761894 PAVDVFNMTYTIEG-UHFFFAOYSA-N 268.527 3.605 0 40 CHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(C)cc1 8477577 DTKJTLBGPDSFLB-OAHLLOKOSA-N 299.370 3.800 0 40 CHAB CC(=O)c1cccc(NC(=O)CSC2CCCC2)c1 4877610 YOEGKJPHDMXUEB-UHFFFAOYSA-N 277.389 3.504 0 40 CHAB C[C@]12CC[C@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 2038441021 WMEBIWWUBWHAOJ-FMKNUBLKSA-N 291.479 3.717 0 40 CHAB Cc1ccc2cccc(OC(=O)c3ccccc3F)c2n1 36220 RGSXHKZAKJICHD-UHFFFAOYSA-N 281.286 3.902 0 40 CHAB CCN(Cc1ccccc1)c1c(N)cccc1Cl 20486171 NYIHGJNGUISJPE-UHFFFAOYSA-N 260.768 3.949 0 40 CHAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(F)cc2Cl)SC1 20744943 WCKXRDOOTFJIQB-LLVKDONJSA-N 297.742 3.626 0 40 CHAB Brc1ccc(-c2nnc(-c3ccccc3)o2)o1 39028 FJVPTCFXZKEKGM-UHFFFAOYSA-N 291.104 3.759 0 40 CHAB Cc1cnc(NC(=O)Nc2ccc(F)c(Cl)c2)s1 253574 TXGZRFYKRFLFEB-UHFFFAOYSA-N 285.731 3.888 0 40 CHAB c1ccc(-c2cc(-c3nc(-c4cccs4)no3)n[nH]2)cc1 12415369 FSCWYNVTHANNLN-UHFFFAOYSA-N 294.339 3.855 0 40 CHAB Cc1ccc(-c2nnn3c2nc(Cl)c2ccccc23)cc1 2694111 IXWIAMCLVVGXLI-UHFFFAOYSA-N 294.745 3.906 0 40 CHAB CSc1ccc(NC(=O)CSc2ccncc2)cc1 12540530 XEGZEBKINDRJPY-UHFFFAOYSA-N 290.413 3.534 0 40 CHAB CSc1ncc(C(=O)Nc2cccc3ccccc23)cn1 8238551 DOMXNVNJQBGHOI-UHFFFAOYSA-N 295.367 3.604 0 40 CHAB CCOc1cccc(CO)c1OCc1ccccc1Cl 8325538 SXARRLZDPRKNMN-UHFFFAOYSA-N 292.762 3.810 0 40 CHAB Oc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 1400777 AXYLDBSPMXGGIP-UHFFFAOYSA-N 272.691 3.763 0 40 CHAB CN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O 408812061 AZJTUHMUJAQNRN-UITAMQMPSA-N 288.155 3.660 0 40 CHAB C[C@H](OC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1 54362819 BWTRERKIKPWIOY-NSHDSACASA-N 288.730 3.768 0 40 CHAB CC[C@H](Nc1ncnc2c(C)nn(CC)c12)c1ccccc1 57280194 ISYNJKCRXMGMBK-AWEZNQCLSA-N 295.390 3.718 0 40 CHAB Cc1cc2nc(NCc3cccnc3)sc2cc1C 11919939 YHUMVIIRTINZFO-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB Cc1nc2ccccc2cc1C(=O)N(C)Cc1ccccc1 2620243 ZHIRTBXUANGNSQ-UHFFFAOYSA-N 290.366 3.815 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccoc1 47088455 RNHHHTNZTPHBDR-CYBMUJFWSA-N 290.388 3.560 0 40 CHAB CN(Cc1cccs1)C(=O)c1cccc2ncccc12 12860412 ITMCFHSAHISKLB-UHFFFAOYSA-N 282.368 3.569 0 40 CHAB COc1cccc(CC(=O)Nc2ccccc2C(C)C)c1 3433345 FMUQSKIPCFCKFH-UHFFFAOYSA-N 283.371 4.000 0 40 CHAB CC(C)OCCCNCc1cccc2ccccc12 4695060 AGDKZYFGDTZYMJ-UHFFFAOYSA-N 257.377 3.745 0 40 CHAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C)c1 7053107 VUMNCNRVXUNKTG-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB Cc1ccccc1C[S@](=O)CCCc1ccccc1 69812759 RIECMOSGTKCIGN-IBGZPJMESA-N 272.413 3.877 0 40 CHAB C=Cc1cc(OC)c(OCc2nc(C)cs2)c(OC)c1 88521364 NDXXOVFUWSRZOH-UHFFFAOYSA-N 291.372 3.691 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 20490141 BTBVGOWTLJHTCR-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB CCCCn1cc(Br)c(CO[C@@H](C)CC)n1 408715713 CTFGSXHFHYLEHJ-JTQLQIEISA-N 289.217 3.761 0 40 CHAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(C)C)cc1 516835066 JBVLXTWXTSBJDV-INIZCTEOSA-N 295.448 3.619 0 40 CHAB Cc1ccc(/C=C/C(=O)NC(C(C)C)C(C)C)cc1 408543379 DAMFEMFHZFFURU-ZHACJKMWSA-N 259.393 3.805 0 40 CHAB CC[C@@H]([C@@H]1CCc2cc(O)ccc2C1)C(C)(C)C(=O)O 3850156 FZDIDIIEUWBRMV-HIFRSBDPSA-N 276.376 3.634 0 40 CHAB biogenic C[C@]12CC[C@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 38337178 BTTWKVFKBPAFDK-ZGGSVLOXSA-N 290.447 3.671 0 40 CHAB CCc1ccc(CC(=O)Nc2c(F)cccc2F)cc1 128859600 RIKMYAUXOPURQS-UHFFFAOYSA-N 275.298 3.708 0 40 CHAB COc1ccc(C(=O)N2CCCc3ccccc32)cc1C 222951661 SBAQHNCRKGDDHA-UHFFFAOYSA-N 281.355 3.597 0 40 CHAB Cc1cccc(CCCNC(=O)CCc2ccc(F)cc2)c1 223854898 OHYMYACAVNCTBJ-UHFFFAOYSA-N 299.389 3.816 0 40 CHAB CCCCNCc1ccc(OC(C)C)c(OCC)c1 40728666 VOZPTJGSFKCVGQ-UHFFFAOYSA-N 265.397 3.762 0 40 CHAB CCOC(=O)c1sc2ccc(C(F)(F)F)cc2c1N 40448029 XEFXFDVJHONPEO-UHFFFAOYSA-N 289.278 3.679 0 40 CHAB CC[C@@H](NC(=O)CCc1ccc(OC)cc1)c1ccccc1 139065914 CPWWKHKAIGCZPM-GOSISDBHSA-N 297.398 3.895 0 40 CHAB O=[S@](CC[C@@H]1CCCCO1)Cc1ccccc1Cl 225621480 GHJIAMZEDRPQBR-SCLBCKFNSA-N 286.824 3.548 0 40 CHAB O[C@H](c1ccc(Br)cc1)c1ccc(F)c(F)c1 40243334 YDYHOEFIAYOJQK-CYBMUJFWSA-N 299.114 3.809 0 40 CHAB O=C(Cc1ccncc1)c1ccc(Cl)cc1Cl 88517987 UOLLDNPAYLFFDD-UHFFFAOYSA-N 266.127 3.814 0 40 CHAB CCOC(=O)c1ncc(-c2cccc(Cl)c2)s1 199567430 DJWKVCRWBSGYLD-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB CC(C)CCC(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 96443827 JKVIWLSWIWBDBS-CQSZACIVSA-N 297.402 3.757 0 40 CHAB COc1ccc2cc([C@@H](C)S[C@H](C)C(N)=O)ccc2c1 96435659 KFSHXPIFCJRFQQ-GHMZBOCLSA-N 289.400 3.516 0 40 CHAB Cc1ccc(CN2CCCC[C@@H]2c2ccncn2)cc1 257234329 GTAGFRXLSYQFJS-QGZVFWFLSA-N 267.376 3.512 0 40 CHAB O=C(C1CC=CC1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 252482526 DIFMVXUCQBYJIM-LBPRGKRZSA-N 287.325 3.534 0 40 CHAB CC(C)Oc1cc(F)c(Br)cc1F 675081684 HZLXOZDSEZJIOK-UHFFFAOYSA-N 251.070 3.515 0 40 CHAB Fc1cc(C(F)(F)F)c(Br)c(F)c1F 1504206438 CDRPJUUNTSDISO-UHFFFAOYSA-N 278.977 3.885 0 40 CHAB Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2)cc1 578849 UVYYWZXPQLQMRK-VAWYXSNFSA-N 296.395 3.521 0 40 CHAB O=C(Nc1ncc(Cl)cc1Cl)NC1CCCCC1 16383442 HFCYYZNZKLDNBH-UHFFFAOYSA-N 288.178 3.843 0 40 CHAB CC(C)c1nnc(NC(=O)c2ccc(Cl)cc2F)s1 12805423 FSZGVUWZBRIONZ-UHFFFAOYSA-N 299.758 3.706 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)cc1 13994582 PYFYFZZBAFNVTF-MRXNPFEDSA-N 299.370 3.800 0 40 CHAB CCCCOc1cccc(C(=O)Nc2ccccc2N)c1 226349374 MWVLBEATYSJKIR-UHFFFAOYSA-N 284.359 3.700 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Cl)cc2)c(O)c1 6454049 SIFUWZOFBGZSTR-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB C[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 22197651 CQAZTFFHPNQMJB-LLVKDONJSA-N 298.789 3.540 0 40 CHAB CC(C)OC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 113811 FVTVAZOUBGEMRY-UHFFFAOYSA-N 295.791 3.958 0 40 CHAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(F)cc1 1268187 ZDAYAHXRSLTYRM-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB c1ccc2cc(NCc3nnc4n3CCCCC4)ccc2c1 3885566 QAKBXXOJCVXFGG-UHFFFAOYSA-N 292.386 3.770 0 40 CHAB C[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2[C@H]3CC=CC[C@@H]3C(=O)N12 4024953 MAFXGFNNEKUFGD-ZLJVHPLZSA-N 292.382 3.578 0 40 CHAB CCCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 4680827 KQYRDYLOWDDQSI-UHFFFAOYSA-N 296.370 3.606 0 40 CHAB CN[C@H](C)Cc1ccccc1Sc1ccc(OC)cc1 5371706 LMOYFNNOXLRLDZ-CYBMUJFWSA-N 287.428 3.997 0 40 CHAB CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1 5476505 LCZSTHIODUZSKX-OAGGEKHMSA-N 257.377 3.581 0 40 CHAB C[C@H](NC(=O)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 6794585 DZRKULJGRDLEAG-UYIIGHAYSA-N 297.442 3.950 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(Cl)c2)c1C 6901570 FCUYISWEQUQFNR-UHFFFAOYSA-N 290.750 3.740 0 40 CHAB FC(F)(F)c1ccc(NC(=S)NC2CCCC2)cc1 6970469 FQBZBKGVDOVEGX-UHFFFAOYSA-N 288.338 3.934 0 40 CHAB Cc1noc(C)c1CC(=O)Nc1ccc(C(C)C)cc1 9836385 HLRDREAQPPMNHG-UHFFFAOYSA-N 272.348 3.596 0 40 CHAB C[C@@H](SCc1ccccc1)C(=O)N(C)c1ccccc1 10285041 IQHDPLJPNOOFOO-CQSZACIVSA-N 285.412 3.971 0 40 CHAB O=C(CC1CCCC1)Nc1cccc2cccnc12 12912332 JAEALGOPTYWGIJ-UHFFFAOYSA-N 254.333 3.754 0 40 CHAB C[C@H]1CCCCN1C(=O)CCCc1c[nH]c2ccccc12 12987910 QUUQNPOTIZMKNZ-AWEZNQCLSA-N 284.403 3.892 0 40 CHAB O=C(CCOc1ccccc1)Nc1ccccc1Cl 14373383 FGROEQMUABBDBI-UHFFFAOYSA-N 275.735 3.748 0 40 CHAB S=C(Nc1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 16489810 MTDLWFGWAQYQHS-ZIAGYGMSSA-N 274.433 3.896 0 40 CHAB CCCCN[C@@H](C)c1ccc(Br)cc1 19906959 GQXYGILLOMRNCI-JTQLQIEISA-N 256.187 3.900 0 40 CHAB COc1ccc([C@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1 20460036 OJUQSGVODSKIBI-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB CCCc1nc2ccc(NC(=O)C3CC3)cc2s1 22254996 SMDHPMKOIXDXIN-UHFFFAOYSA-N 260.362 3.597 0 40 CHAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)C1CCCC1 22677394 WDLXBIKCUAGESB-UHFFFAOYSA-N 297.314 3.612 0 40 CHAB Cc1ccc([C@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 26894582 MNMSKWSDXPDXJG-ZIAGYGMSSA-N 296.399 3.794 0 40 CHAB O=C(Nc1cccc2ncccc12)c1cccc(F)c1F 27926116 DSQGVPGFMFVZAR-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB COc1ccc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc1O 31773442 TYZCODRVYNYDCF-UHFFFAOYSA-N 296.322 3.791 0 40 CHAB Cc1occc1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 32931091 CGUGAHUKMDCNBX-SECBINFHSA-N 295.285 3.680 0 40 CHAB COC(=O)c1ccccc1OCc1ccccc1Cl 36719669 ZXVAPDOKLJAVNW-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 42947781 WAVNJCYHNSLOSR-OAHLLOKOSA-N 261.752 3.557 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 48325079 FARYUCXMWIKSGX-RISCZKNCSA-N 299.336 3.943 0 40 CHAB CNC(Cc1ccc(C)cc1)Cc1ccc(C)cc1 51752862 CMZUMFMOBWFXQM-UHFFFAOYSA-N 253.389 3.677 0 40 CHAB in-vitro CC(C)N(CC(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1 63011307 BNALFKQQAYISOG-UHFFFAOYSA-N 299.214 3.517 0 40 CHAB O=C(NCc1ccoc1)N(CC1CC1)C1CCCCC1 69816160 IIDLUPPOUPDKAB-UHFFFAOYSA-N 276.380 3.534 0 40 CHAB CCCN1CCCC[C@@H]1c1cnc(N2CCCC2)cc1C 72218878 HOSRDVYCYHVWGG-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB Cc1csc(-c2cccc(OCc3ccon3)c2)n1 75093876 ONASSRVGDPQHGO-UHFFFAOYSA-N 272.329 3.686 0 40 CHAB C[C@H](OC(=O)C[C@@H](C)C1CC1)c1nc2ccccc2[nH]1 95392632 YERIVVDVYXTFMF-MNOVXSKESA-N 272.348 3.603 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2cccc(Br)c2)C1 95915523 IBSOWDJIYWZHMS-PHIMTYICSA-N 268.198 3.931 0 40 CHAB CCc1ccc([C@H]2CCCN2C(=O)CCc2cccnc2)o1 96409937 AJEUXSLHVHJGGW-MRXNPFEDSA-N 298.386 3.533 0 40 CHAB CCOc1ccccc1C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101290871 MQGJHHCSHAIAKK-KQTLUZQSSA-N 287.403 3.640 0 40 CHAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O 118933803 ZWUOTDQQNZPUOC-NMIHNWPRSA-N 290.447 3.527 0 40 CHAB Cc1cccc2c1c(C=O)cn2C(=O)OCc1ccccc1 199813358 OKRKPNYUULGEAU-UHFFFAOYSA-N 293.322 3.947 0 40 CHAB Cc1cccc(Nc2ccc(C(=O)NC3CC3)cc2N)c1C 225418029 VFAINCKTJPNNBO-UHFFFAOYSA-N 295.386 3.521 0 40 CHAB O=[S@](CC[C@H]1CCCCO1)Cc1ccccc1Cl 225621533 GHJIAMZEDRPQBR-FZKQIMNGSA-N 286.824 3.548 0 40 CHAB O=C(c1ccoc1)N1CCc2cc(-c3ccncc3)ccc21 225639656 COXLQGNMOZEKGN-UHFFFAOYSA-N 290.322 3.545 0 40 CHAB CCCN1C(=O)/C(=C\c2ccccc2)c2ccccc21 409136856 VEVGSJCBOZHOQD-SSZFMOIBSA-N 263.340 3.984 0 40 CHAB OCc1cc(-c2cccs2)nc2cc(F)ccc12 685936862 CSAPVWHYXWALHS-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB Cc1ccccc1OCC(=O)Oc1ccc(Cl)cc1 578568 HAIFCRSMWJLIJI-UHFFFAOYSA-N 276.719 3.633 0 40 CHAB CCOc1ccc2nc(C)cc(SCCC(=O)O)c2c1 2404971 QAUSGQDHJCNHTN-UHFFFAOYSA-N 291.372 3.509 0 40 CHAB O=C(c1cccc(CN2CCCC2)c1)C1CCCC1 2515095 OSPMARLOEOBZLR-UHFFFAOYSA-N 257.377 3.655 0 40 CHAB CCc1ccccc1S(=O)(=O)c1cc(C)ccc1C 3158062 TVFXZSQSESERPM-UHFFFAOYSA-N 274.385 3.699 0 40 CHAB COc1ccc(CCC(=O)Nc2ccc(C)cc2C)cc1 3482394 CAZAOYOPBMNKJB-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CCSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1 4164259 GYHIMZYFXSDXKY-UHFFFAOYSA-N 290.779 3.557 0 40 CHAB O=C(NCCSCc1ccc(Cl)cc1)c1ccco1 4390596 ZLSVDRZOHUGDIR-UHFFFAOYSA-N 295.791 3.596 0 40 CHAB S=C(NCCc1ccccc1)Nc1cccc(Cl)c1 4547773 JZXHNGIDUAFDLY-UHFFFAOYSA-N 290.819 3.869 0 40 CHAB CCN(CC)c1nc(C)nc2c1oc1ccccc12 5219621 KYYGPTDBPMTUJN-UHFFFAOYSA-N 255.321 3.531 0 40 CHAB CCCn1c(NC(=O)Cc2cccs2)nc2ccccc21 6153895 JUWKZQJXDICMBK-UHFFFAOYSA-N 299.399 3.689 0 40 CHAB Cc1occc1C(=O)Nc1nc(-c2ccccc2)cs1 6254752 XKZRGTJBHUDVEG-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@H](C)C[C@@H](C)C1 7386121 SGGPQDFATTWKIN-UPJWGTAASA-N 294.826 3.645 0 40 CHAB CC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1 7642707 MCZVSVVLZPQGKA-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB Oc1ccccc1-c1nnc(Nc2ccccc2)s1 7715231 BZKYEWHAZDRBRF-UHFFFAOYSA-N 269.329 3.654 0 40 CHAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)s1 7885892 LVZINEAVNAUMCT-HNNXBMFYSA-N 284.384 3.785 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1Cl 7945374 JTDSJNPIGHJJLD-HNNXBMFYSA-N 287.746 3.591 0 40 CHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(C)c1 8040981 GQCIMGOGZKAHBF-HNNXBMFYSA-N 299.370 3.800 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1cn(C)c2ccccc12 8170404 ZRWOAVAYXLGUKJ-UHFFFAOYSA-N 282.318 3.878 0 40 CHAB Cc1ccc(OCCNC(=O)c2cc(C)ccc2C)c(C)c1 8389249 FFBWCYKHDAENMZ-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB Cc1ccc(-c2csc(NC(=O)c3ccno3)n2)c(C)c1 10253825 ZCTCPQZQLNPXBC-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB COC(=O)c1cccc(-c2nc3ccccc3s2)c1 20136201 KIUHSBXFVXANQW-UHFFFAOYSA-N 269.325 3.750 0 40 CHAB CC(C)(C)OC(=O)N1CCCCNc2ccccc21 22115667 MFOZTPKIELHLCG-UHFFFAOYSA-N 262.353 3.634 0 40 CHAB CC(C)Cc1nc(Cl)n(-c2ccc(Cl)cc2)n1 22125306 RBBCZYRQIBHLOG-UHFFFAOYSA-N 270.163 3.773 0 40 CHAB CC(C)[C@H](NC(=O)c1ccnc(Cl)c1)c1cccs1 25386653 YNBJKHWVNOKHPV-ZDUSSCGKSA-N 294.807 3.924 0 40 CHAB Fc1ccc(-c2csc(C3CCNCC3)n2)cc1F 36176205 YYLPODRZXPNZRA-UHFFFAOYSA-N 280.343 3.555 0 40 CHAB Clc1nccc(-c2cccc(Br)c2)n1 36431705 LPJSTRAUAIMYQZ-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB O=Cc1cc(-c2ccc(OCc3ccccc3)cc2)no1 36458093 FHFSYUPEVSXYLG-UHFFFAOYSA-N 279.295 3.733 0 40 CHAB COc1cc(CNc2ccccc2)cc(Cl)c1OC 37186045 MBRNWWVFASAMQG-UHFFFAOYSA-N 277.751 3.969 0 40 CHAB O[C@H]1CCC[C@H](NCc2ccc(-c3ccccc3)s2)C1 37321145 QTVQWACWDSTERV-GJZGRUSLSA-N 287.428 3.808 0 40 CHAB CSCCCC(=O)c1ccc(Br)cc1 37995861 ZPWHRDVDFVVLSO-UHFFFAOYSA-N 273.195 3.775 0 40 CHAB CCc1ccc(NC(=O)NCc2cc(F)cc(F)c2)cc1 40097929 ICUGZIVQKLNGJF-UHFFFAOYSA-N 290.313 3.849 0 40 CHAB COc1cccc2c(Cl)c(Br)cnc12 41702288 KNCYGWUHMJIGOQ-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB in-vitro O=C(O)Cc1nc(C(F)(F)F)ccc1-c1cccc(F)c1 47206732 JEENJIYVCQCJHM-UHFFFAOYSA-N 299.223 3.534 0 40 CHAB CCC[C@@H]1CCCN(C(=O)Nc2ccccn2)CC1 57986092 YDHHPLRORRJNEG-CYBMUJFWSA-N 261.369 3.516 0 40 CHAB C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1 67791610 WAVXTGYDZVJJKF-NSHDSACASA-N 291.753 3.899 0 40 CHAB CC(C)Oc1ccc([C@@H]2CCCCN2C(C)C)cn1 72211920 QIFGOQMSGVUKPP-HNNXBMFYSA-N 262.397 3.804 0 40 CHAB Oc1ncccc1[C@H]1CCCCN1Cc1ccccc1 72212332 ZRJGWUOQUBUWBO-MRXNPFEDSA-N 268.360 3.514 0 40 CHAB CCCCN1CCC[C@@H]1c1c(OC)cccc1OC 72221425 CPPIRHUPMGLVJS-CYBMUJFWSA-N 263.381 3.641 0 40 CHAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)s1 72312792 KSXGGUAXENRCPP-DTWKUNHWSA-N 289.853 3.806 0 40 CHAB CN1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72357514 YTACZXAEFUUTDZ-KRWDZBQOSA-N 270.351 3.578 0 40 CHAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2cccs2)C1 72405245 KAVRGXNGUZLHRE-NSHDSACASA-N 299.355 3.710 0 40 CHAB CC(C)Oc1ccccc1C[S@@](=O)Cc1ccccc1 78556025 AVNJNRZVMWFVIY-HXUWFJFHSA-N 288.412 3.923 0 40 CHAB C[C@@H]1c2ccc(Br)cc2CN1C(=O)C(C)(C)C 82123920 KWHZYHLFMXRMKD-SECBINFHSA-N 296.208 3.898 0 40 CHAB C[C@H](Cc1ccc(O)cc1)N(C)c1nc2ccccc2o1 84640708 IGHSHZMNIUTPFW-GFCCVEGCSA-N 282.343 3.601 0 40 CHAB Fc1ccc(Cc2nnc(Cl)c3c2CCCC3)cc1 88261278 HRPFZHIPDSVSIK-UHFFFAOYSA-N 276.742 3.739 0 40 CHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1cc(F)cc(Cl)c1 95634026 ICEBSQUWNPBYCO-VXGBXAGGSA-N 284.714 3.553 0 40 CHAB Cc1ccc(CNC2(c3nc(C)cs3)CCCC2)nc1 96474693 SMJMNOQJZMLOBK-UHFFFAOYSA-N 287.432 3.714 0 40 CHAB Cc1ccccc1NC(=O)[C@]12C[C@H]3CC[C@]1(C)[C@@]3(C)CO2 100713331 VEXFIHOUSZHFJY-BVPBIZIASA-N 285.387 3.529 0 40 CHAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)sc1C 101988537 YLMYQOXLBCWUBR-IGHBBLSQSA-N 277.433 3.919 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCC(=O)C[C@@]43C)[C@@H]1CC[C@@H]2O 118925033 CFEYHVZVJOAJTE-MISPCMORSA-N 290.447 3.959 0 40 CHAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCCC1 146209168 LTQWFEHSUODQRF-UHFFFAOYSA-N 272.175 3.548 0 40 CHAB FC(F)(F)COc1cc(Br)c2ocnc2c1 169805239 ZTZGYJUDEOPJHU-UHFFFAOYSA-N 296.042 3.531 0 40 CHAB Cc1c(C=O)c2ccccc2n1C(=O)c1cccc(F)c1 216953270 OMXZOUHUIJGCLL-UHFFFAOYSA-N 281.286 3.590 0 40 CHAB CCCNC(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223146114 UZDVPCPXJYCNKN-INIZCTEOSA-N 274.408 3.726 0 40 CHAB Cc1cc(C)cc(O[C@@H](Cc2c(C)cccc2C)C(=O)O)c1 225030986 IUXZWWCCTRTNJH-SFHVURJKSA-N 298.382 3.995 0 40 CHAB COCCCCC(=O)Nc1cccc(C(F)(F)F)c1C 97015206 VRTQMQBFXCDXBK-UHFFFAOYSA-N 289.297 3.769 0 40 CHAB CC1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1 559763 LBSLIETZKMMUNA-UHFFFAOYSA-N 274.408 3.908 0 40 CHAB CCN(CC)C[C@H](O)c1cccc2cc(Cl)ccc12 1628192 AKAWUSJVGKOWBC-INIZCTEOSA-N 277.795 3.868 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1ccc(OC)cc1 2378846 SOAKQIVMCICRIL-UHFFFAOYSA-N 292.375 3.782 0 40 CHAB CC1=C[C@@H](C)[C@H]2CO[C@@H](c3ccccc3O)[C@@H]1[C@H]2C 4027124 YHPKSMCKTAILCI-UFPQOIDKSA-N 258.361 3.928 0 40 CHAB CCCC[C@H](CC)CNC(=O)Cc1ccc(OC)cc1 6043096 MZHNDVHAJCZAMS-AWEZNQCLSA-N 277.408 3.570 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC(COc2ccccc2)CC1 55423942 VBAVRKFIIZVNON-KRWDZBQOSA-N 299.414 3.660 0 40 CHAB CC(=O)NCC[C@H]1[C@H](c2c(C)[nH]c3ccccc23)C1(C)C 1414675 VDKKKDCNGYVWHA-WMLDXEAASA-N 284.403 3.742 0 40 CHAB biogenic C[C@]12[C@H]3[C@@H]4[C@H]5CC[C@H]4[C@]14OC[C@]41[C@@H]5[C@@H]3[C@H]3[C@H]1[C@H]1CCC[C@H]1[C@H]32 104294775 MQVLKYFHCBNAPZ-PBMCFYKZSA-N 294.438 3.586 0 40 CHAB Cc1ccccc1CNC(=O)c1ccc(OC(C)C)cc1 8040643 FXIYIKNYINZPQM-UHFFFAOYSA-N 283.371 3.712 0 40 CHAB C[C@H](S[C@H]1CCCc2ccccc21)C(=O)N1CCCC1 58017921 LAQSESNANADXLH-BBRMVZONSA-N 289.444 3.808 0 40 CHAB O=C(O)c1oc2ccccc2c1COc1ccccc1 3361072 VJKTUIWQQYVRRB-UHFFFAOYSA-N 268.268 3.710 0 40 CHAB Clc1ccc(Nc2nc(-c3cccs3)n[nH]2)cc1 20411721 HWSPCJOUGTWBKY-UHFFFAOYSA-N 276.752 3.930 0 40 CHAB CCCc1nnc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)s1 27794620 CCYHTJJSQDDHTQ-JQWIXIFHSA-N 293.436 3.668 0 40 CHAB C[C@H]1c2ccsc2CCN1c1ncnc2ccsc12 28624987 DFJJOSJHCBRKER-VIFPVBQESA-N 287.413 3.877 0 40 CHAB CC1(C)O[C@H]2[C@H]3CC[C@@](C)(C3)[C@]2(c2ccccc2)O1 104117156 QJXLKANVPCEITL-ZFZWDLNGSA-N 258.361 3.853 0 40 CHAB Cn1cc(C=O)c2ccc(OCc3ccccc3)cc21 59731235 NWHSLEJKTVSULX-UHFFFAOYSA-N 265.312 3.570 0 40 CHAB O=C(c1ccc(CN2CCCC2)cc1)c1cccc(F)c1 2514563 UHAFFNNGBHASAO-UHFFFAOYSA-N 283.346 3.653 0 40 CHAB O=C(NCc1ccccc1Cl)c1ccc(Cl)cc1 5679059 YVLHDPIAWZMYRU-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB COc1ccc(NC(=O)Cc2cc(C)ccc2C)c(OC)c1 22533784 CBWNJQDADMGARU-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Cc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 7652005 QOWFABXQKSVWSM-UHFFFAOYSA-N 253.345 3.911 0 40 CHAB Cc1cccc(NC(=O)c2ccc3ncsc3c2)c1 16028717 MCHNJLKIAWOKGL-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB COc1cccc(NC(=O)NCCCCc2ccccc2)c1 8167769 TYECHBPQPJADGA-UHFFFAOYSA-N 298.386 3.840 0 40 CHAB O=C1N[C@@H](c2ccccc2C(F)(F)F)Nc2ccccc21 9608726 RNDNEFZMTPFNLB-ZDUSSCGKSA-N 292.260 3.560 0 40 CHAB O=C(O)/C=C\c1csc2ccc(Br)cc12 17111660 HCKQUGKEEHOHTM-RJRFIUFISA-N 283.146 3.762 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20042202 HPVDTEGODAYILU-CQSZACIVSA-N 283.371 3.803 0 40 CHAB CCc1nn(C)cc1N[C@@H](C)c1ncc(-c2ccccc2)o1 95942177 JXDKGSVKBJISNF-LBPRGKRZSA-N 296.374 3.811 0 40 CHAB Nc1cc(Cl)c(NC(=O)c2ccsc2)c(Cl)c1 68575085 CNRKJWWBOCRPQC-UHFFFAOYSA-N 287.171 3.889 0 40 CHAB CCc1cccc2c(Br)cc(C)nc12 32099861 FNIYMSFLQVYRBU-UHFFFAOYSA-N 250.139 3.868 0 40 CHAB O=Cc1ccccc1OCc1ccc2c(c1)CCC2 70498970 YDCRTUGFTHETID-UHFFFAOYSA-N 252.313 3.567 0 40 CHAB Nc1nc(-c2ccc(F)cc2)cc(-c2cccs2)n1 34535391 MQBMRYBZMDRJNM-UHFFFAOYSA-N 271.320 3.593 0 40 CHAB Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCCCCC1 72222495 LYMFPDUYMRWGKA-SFHVURJKSA-N 295.430 3.819 0 40 CHAB N=C(NNc1ccc(Cl)cc1Cl)c1ccccc1 73667316 PJQHJCSFIODYLQ-UHFFFAOYSA-N 280.158 3.935 0 40 CHAB CC1CCN(c2c(Cl)cc(N)cc2Cl)CC1 45885822 FUKLRMUPLZVJPX-UHFFFAOYSA-N 259.180 3.812 0 40 CHAB COc1ccc(C(=O)CCc2cccc(C)c2)cc1F 228699452 LMFJMGSRBBSMMG-UHFFFAOYSA-N 272.319 3.958 0 40 CHAB NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224957518 DAFKVVNXZJKVPH-UHFFFAOYSA-N 298.729 3.761 0 40 CHAB COc1ccc(-c2cc(-c3cccs3)[nH]n2)cc1 145657419 FTKRIPBODYEXTC-UHFFFAOYSA-N 256.330 3.814 0 40 CHAB CC(C)CCOc1cc(F)ccc1C(=O)C(F)(F)F 95740032 SXYHOMHZOOVQNU-UHFFFAOYSA-N 278.245 3.996 0 40 CHAB CCCC[S@](=O)Cc1ccc(-n2nc(C)cc2C)cc1 97376251 WESISZHHTXNJDJ-HXUWFJFHSA-N 290.432 3.538 0 40 CHAB COc1ccc(-c2csc(COC(C)C)n2)c(OC)c1 585091556 TXHMQTVQULLEMN-UHFFFAOYSA-N 293.388 3.752 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(C=O)cc2)C1 75907419 KRFAXZLBLMRERX-HNNXBMFYSA-N 289.375 3.614 0 40 CHAB Cc1ccccc1CNCCCSC(F)(F)F 95918306 GSHSXWWSDHTVES-UHFFFAOYSA-N 263.328 3.728 0 40 CHAB CC[C@H](C)NC(=O)N[C@@H](CC)c1ccc(Cl)cc1 13746442 UIVNQZUVRUOYMS-GWCFXTLKSA-N 268.788 3.889 0 40 CHAB CC(=O)Nc1sc2c(c1C(=O)O)CC[C@@H](C(C)(C)C)C2 8731396 UWNMXDQJOINJOB-SECBINFHSA-N 295.404 3.556 0 40 CHAB C[C@@H](Sc1ccccc1Cl)C(=O)NC1CCCC1 6351862 HYZMDEBMJIIGMO-SNVBAGLBSA-N 283.824 3.879 0 40 CHAB Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cn1 25099333 KZIYZBYSLVTWNT-UHFFFAOYSA-N 294.398 3.846 0 40 CHAB CC(C)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 7055481 DPDHQHNWPFDFGN-UHFFFAOYSA-N 293.363 3.750 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCCCC1 50079376 BBCDHYJFXPBLNK-GFCCVEGCSA-N 281.783 3.510 0 40 CHAB Cc1ccc(C(=O)Nc2ncnc3sccc23)cc1C 5299424 UZGCNGHKGCCTHV-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCCC1 30987250 XFFWFYMPMCQRBA-UHFFFAOYSA-N 272.270 3.770 0 40 CHAB CC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C 141998 GCQWMPHBOXPKHY-UHFFFAOYSA-N 269.131 3.690 0 40 CHAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@H]1c1ccc(F)cc1 102193956 XWPUKPOIAAGVLC-SDNTUTLCSA-N 285.362 3.701 0 40 CHAB CC(C)C(=O)Nc1c(-c2ccccc2)nc2ccccn12 549627 ASTJUEFNAUFINV-UHFFFAOYSA-N 279.343 3.596 0 40 CHAB Cc1ccc(-n2nnnc2N[C@H](C)c2ccc(C)s2)cc1 53582126 PLRGIHBPIRNERV-GFCCVEGCSA-N 299.403 3.514 0 40 CHAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)C1CC1 23040439 QBJMSEAISGMNQH-GFCCVEGCSA-N 280.371 3.585 0 40 CHAB Cc1ccc2ncnc(N(C)C3CCCCC3)c2c1 122907 XATHVDRZOYLAQD-UHFFFAOYSA-N 255.365 3.707 0 40 CHAB CCOC(=O)c1ccccc1NC(=S)c1ccc(C)cc1 383268 NJVGMJDYVZCFPN-UHFFFAOYSA-N 299.395 3.959 0 40 CHAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 586959 OAORCQUAXKZIGG-FMIVXFBMSA-N 296.395 3.521 0 40 CHAB CC(=O)NCC[C@@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 1414674 VDKKKDCNGYVWHA-PBHICJAKSA-N 284.403 3.742 0 40 CHAB biogenic Oc1ccc(CC[C@@H]2CC[C@H](c3ccc(O)cc3)CO2)cc1 1581513 CZAHCAZTHZRDDI-QFBILLFUSA-N 298.382 3.993 0 40 CHAB CC(=O)Nc1cc2c(cc1Cl)-c1ccc(F)cc1C2=O 1698854 UIGMUWUGCHEDEY-UHFFFAOYSA-N 289.693 3.649 0 40 CHAB Cc1noc(C)c1COC(=O)c1cc2ccccc2cc1O 2635776 GVYKWKFEOCTASC-UHFFFAOYSA-N 297.310 3.507 0 40 CHAB O=C(Cc1ccccc1)Sc1nc2ccccc2o1 3076985 BKQVGKQOILSGLG-UHFFFAOYSA-N 269.325 3.689 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)NCc1cccc(Cl)c1 3565392 DLIWTSSAEGVGPH-RMKNXTFCSA-N 289.737 3.809 0 40 CHAB O=C1c2ccccc2CC[C@@H]1CNc1ccccc1 5331841 VGOZDCRWZBBTEI-CQSZACIVSA-N 251.329 3.544 0 40 CHAB CC(C)(C)Nc1nc(-c2ccccn2)nc2ccccc12 5577117 ANHHGBGCYMUJMS-UHFFFAOYSA-N 278.359 3.902 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C)c1 5579209 PWUUQCYODWUULM-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB CCn1c(-c2ccc(OC)cc2)ccc1[C@@H](O)C(F)(F)F 5667940 HEJPFJSXFIGHOJ-CQSZACIVSA-N 299.292 3.779 0 40 CHAB O=C(NCc1cccc(Cl)c1)c1ccccc1Cl 5679315 LJGCNQRWUCTKJR-UHFFFAOYSA-N 280.154 3.923 0 40 CHAB CCCc1cc2c(=O)c(-c3ccccn3)coc2cc1O 5686286 KLJYGVMKJZMBQM-UHFFFAOYSA-N 281.311 3.513 0 40 CHAB biogenic NC[C@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12 6645705 VCXAETGEVHDYMF-CQSZACIVSA-N 270.763 3.912 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1ccc(F)cc1F 6883191 JFEFAEAWWRTVBZ-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB O=C(NC1CCCCCCC1)c1ccc(F)cc1F 6888728 HDTKGVWEKYIZGV-UHFFFAOYSA-N 267.319 3.808 0 40 CHAB CCc1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 8706357 AIQPAGHNQMSRJW-UHFFFAOYSA-N 299.186 3.722 0 40 CHAB CCCCCCC(=O)Nc1ccccc1SCC(=O)O 8732932 MURFRLANMMJLEI-UHFFFAOYSA-N 295.404 3.772 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(C)cc2O)cc1 12612702 YGQZYLOQQREABB-UHFFFAOYSA-N 255.317 3.515 0 40 CHAB O=c1ccc2ccc(Oc3ncnc4ccccc34)cc2o1 12871264 NWFKUEXXDCJBHU-UHFFFAOYSA-N 290.278 3.529 0 40 CHAB CCc1ccc(-c2nn(-c3ccccc3C)cc2CO)cc1 14119805 NHRRXPBSJZERLS-UHFFFAOYSA-N 292.382 3.902 0 40 CHAB Cc1cc(COC(=O)c2occc2-c2ccccc2)on1 24509512 NNVDTXBGMRMATF-UHFFFAOYSA-N 283.283 3.600 0 40 CHAB CC(C)CNC(=O)NC(c1ccccc1)c1ccccc1 24940781 WMEOZOWRJCQNJP-UHFFFAOYSA-N 282.387 3.731 0 40 CHAB Cc1cc(C)c2cc(C(=O)N[C@@H](C)c3ccccn3)[nH]c2c1 31228295 PZHHSFFISKUIET-ZDUSSCGKSA-N 293.370 3.671 0 40 CHAB Nc1cc(/C=C/C(=O)N2CCc3ccccc32)ccc1Cl 32181869 BHUCHBADMDWVQJ-SOFGYWHQSA-N 298.773 3.525 0 40 CHAB O=C(NCc1ccccc1)c1ccc(CSC(F)F)o1 32770805 GRUUUHRGNMTGKE-UHFFFAOYSA-N 297.326 3.665 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2)cc1F 35423875 IJDIVFDBRCYHGB-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB O=C(CCCc1nc2ccccc2[nH]1)Nc1ccccc1F 40086962 UEEGSBDECBPYGJ-UHFFFAOYSA-N 297.333 3.663 0 40 CHAB COCc1ccccc1NC(=O)NC1CCCCCC1 40527941 MGGXUOKRRNABIR-UHFFFAOYSA-N 276.380 3.677 0 40 CHAB CCOC(=O)CCCCC(=O)c1cc(Cl)ccc1OC 43214381 LXCOPIYSIIQHOQ-UHFFFAOYSA-N 298.766 3.655 0 40 CHAB Cc1cccc(CNC(=S)Nc2cccc(C)c2)c1 44385833 BOVRSAVRESMRRG-UHFFFAOYSA-N 270.401 3.790 0 40 CHAB CCOc1ccc(C(=O)Nc2c(C)cc(N)cc2CC)cc1 45889424 XMKFHVLVGBGQGT-UHFFFAOYSA-N 298.386 3.791 0 40 CHAB CC[C@H](C)[C@H](NC(=O)c1ccco1)c1nc2ccccc2[nH]1 47173891 SHPREZPCIRDNRU-NHYWBVRUSA-N 297.358 3.673 0 40 CHAB CC(C)Oc1ccccc1[C@H](C)NC(=O)C1CCCC1 48324443 HNDYFSPHYIDOGP-ZDUSSCGKSA-N 275.392 3.841 0 40 CHAB CC[C@H](C)C(=O)N1CCc2sccc2[C@@H]1CC 58394335 XXBOBSLQLJHXNH-JQWIXIFHSA-N 251.395 3.630 0 40 CHAB CC(C)CC(=O)Nc1cccc(CNCc2ccco2)c1 64411738 CMVCHMVCDYGPPN-UHFFFAOYSA-N 286.375 3.554 0 40 CHAB CC(C)CN(C(=O)c1csc(-c2ccco2)n1)C1CC1 65532008 MZYSSAMROMVUSB-UHFFFAOYSA-N 290.388 3.664 0 40 CHAB COc1ccc(-c2nc3c(C)cc(C)cc3[nH]2)cc1 70462781 HQMVDSSUTNMJOB-UHFFFAOYSA-N 252.317 3.855 0 40 CHAB CCOC(=O)c1cn[nH]c1-c1cc(Cl)cc(Cl)c1 71980840 SYWXMQJHBUCIEJ-UHFFFAOYSA-N 285.130 3.560 0 40 CHAB CCCN1CC=C(c2nc3ccc(C)cc3o2)CC1 73636323 URWAPWUGZDRXPR-UHFFFAOYSA-N 256.349 3.635 0 40 CHAB Cc1ccccc1[C@H](NCc1ccc(CO)o1)C(C)(C)C 80347552 AZAFEYQOGYSXFA-KRWDZBQOSA-N 287.403 3.957 0 40 CHAB CC[C@@H](C)NCc1cc(Cl)ccc1Br 85219860 CODCTQSVVVCCFR-MRVPVSSYSA-N 276.605 3.991 0 40 CHAB CN(C)c1ccc(C(=O)c2ccc(F)cc2Cl)cc1 95916757 JUBZEQHJPAZTQG-UHFFFAOYSA-N 277.726 3.776 0 40 CHAB C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)C1CCCC1 95990705 PAEJFWYREIDHFP-CQSZACIVSA-N 286.419 3.800 0 40 CHAB Cc1ccc(NC(=O)C[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 103210197 TYQWYBWNFZCZMT-SPYBWZPUSA-N 299.414 3.965 0 40 CHAB COc1ccccc1CN[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 106619858 VEZVUKMNJLQGAY-YXWQFLTLSA-N 259.393 3.610 0 40 CHAB C[C@@H]1CC[C@@H](Nc2ccc(Cl)c(C[S@](C)=O)c2)C1 221366639 JMTKTTABRFRNOL-QAMHXRKUSA-N 285.840 3.819 0 40 CHAB Cc1cc(NC(=S)NCc2ccccc2)ncc1Cl 223922265 FRQIDJJVHLILEY-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 224414266 ZYYZAIZGZYJTDE-HZPDHXFCSA-N 297.398 3.682 0 40 CHAB CC[C@H](NC(=O)c1ccc(OC)c(C)c1)c1ccccc1 225795843 YTRQBVNKUIQYIT-INIZCTEOSA-N 283.371 3.885 0 40 CHAB CC[C@H](C)Nc1nc(Cl)nc(Nc2cccc(F)c2)n1 228932436 JTBUXQJDNQDXPZ-QMMMGPOBSA-N 295.749 3.618 0 40 CHAB Cc1nc(CN[C@H]2CC(C)(C)CCc3ccccc32)no1 252506996 WEXSXJPTWCWEGF-HNNXBMFYSA-N 285.391 3.571 0 40 CHAB CCC(Cc1ccccc1)=NNc1nc(C)cc(C)n1 254294715 SNDMDRNJPXTSCD-UHFFFAOYSA-N 268.364 3.514 0 40 CHAB Fc1ccc(CNCc2ccc(Cl)cc2)s1 256049835 BRDFYUIBKOEHBE-UHFFFAOYSA-N 255.745 3.830 0 40 CHAB O=C1CCCc2c(OCc3ncc(C4CC4)o3)cccc21 270482890 YYEBSVFBDOXYFV-UHFFFAOYSA-N 283.327 3.650 0 40 CHAB CCCc1sc(=N)n(CC)c1-c1ccc(C)cc1 408574637 AVEPLGDAJGJEKC-UHFFFAOYSA-N 260.406 3.977 0 40 CHAB CC(=O)OC(C)(C)C(=O)c1cccc(C(C)(C)C)c1 575357866 XYSPQPMGOBKQIL-UHFFFAOYSA-N 262.349 3.509 0 40 CHAB CC[C@H](c1ccccc1)c1n[nH]c(-c2cccc(O)c2)n1 642882506 FMAAWVDFTQVTER-OAHLLOKOSA-N 279.343 3.719 0 40 CHAB C1=C(c2csc3ccccc23)N2CCN=C2S1 6808 BKCZXQQTZPBRPV-UHFFFAOYSA-N 258.371 3.618 0 40 CHAB in-vitro Cc1nc(-c2cccs2)sc1-c1ccnc(S)n1 121303 MVFIEGOWUFZUFP-UHFFFAOYSA-N 291.426 3.926 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)cc(C)c2)c1C 429490 REMZGTLGRXMUQV-UHFFFAOYSA-N 284.359 3.703 0 40 CHAB CC[C@H](C)NC(=O)N1CCCCC[C@@H]1c1ccncc1 42844211 OFTIHUCMCCWQMJ-DZGCQCFKSA-N 275.396 3.507 0 40 CHAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc2cccnc12 103028210 YIICVHRRJITHEL-YUELXQCFSA-N 280.371 4.000 0 40 CHAB O=C1O/C(=C\Nc2ccc(F)cc2F)c2ccccc21 100411635 FAIAXNVURBJJPN-ZSOIEALJSA-N 273.238 3.546 0 40 CHAB Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1 3333589 IBAKFBQLUUVAOS-JQWIXIFHSA-N 272.373 3.713 0 40 CHAB Cc1cccnc1NC(=O)N[C@H](C)c1ccc(Cl)s1 46600155 VJEXXOFWPBKRAO-SECBINFHSA-N 295.795 3.988 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccc(C3CC3)cc2)cc1 4742121 ZKZUQANVEIRMMZ-UHFFFAOYSA-N 287.384 3.673 0 40 CHAB Cc1ccc(NCC(=O)Nc2cccc(C)c2C)c(C)c1 7953848 AHZMAQCQVYBGIV-UHFFFAOYSA-N 282.387 3.971 0 40 CHAB CC(C)CCn1cnc2c([nH]c3cccc(Cl)c32)c1=O 8619773 XHECOMZJEPGRGE-UHFFFAOYSA-N 289.766 3.577 0 40 CHAB Cc1ccc(C2=N/C(=C/c3ccc(F)c(F)c3)C(=O)O2)cc1 96840022 UKZOJHCOUVCVHV-OQLLNIDSSA-N 299.276 3.618 0 40 CHAB c1cc(NCc2cccc3cc[nH]c23)cc(-c2nc[nH]n2)c1 97021406 XBZMAQZTWHAVFZ-UHFFFAOYSA-N 289.342 3.565 0 40 CHAB Cc1cccc(CSCCNC(=O)c2ccccc2C)c1 408924602 KPTVPAVKOTXWGO-UHFFFAOYSA-N 299.439 3.967 0 40 CHAB CC[C@@H](c1ccccc1)c1nc(-c2ccc(N)cc2)no1 35697007 JLNHGLLJDSGUHN-HNNXBMFYSA-N 279.343 3.861 0 40 CHAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1F 72331687 KJRNUHQWHUDBOZ-UHFFFAOYSA-N 299.679 3.687 0 40 CHAB CCCCN1CCC[C@@H]1c1cccnc1N(CC)CC 72212901 ILACHNVAPFDVAQ-MRXNPFEDSA-N 275.440 3.865 0 40 CHAB CCCn1c(CCCC(=O)O)nc2cccc(Cl)c21 37443435 NFJCJWGJRMDWHX-UHFFFAOYSA-N 280.755 3.507 0 40 CHAB COC(=O)Cc1ccc(-c2nc3ccccc3s2)cc1 41127077 SCOQXASWIIWPID-UHFFFAOYSA-N 283.352 3.679 0 40 CHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C)c1 225693871 LEFOUGOFPMEBTE-KRWDZBQOSA-N 293.407 3.928 0 40 CHAB CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225169250 AKLOEFCTUBRSNM-UONOGXRCSA-N 289.419 3.638 0 40 CHAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1Cl 225605015 DZAKHDHKYPEOAU-OAHLLOKOSA-N 299.798 3.882 0 40 CHAB COc1cc(C)c([C@H](C)NC(=O)C(C)C)cc1C(C)C 223385008 VMDHZQVKZIQYRY-ZDUSSCGKSA-N 277.408 3.960 0 40 CHAB C[C@H](Oc1cccc2ccccc12)C(=O)OC(C)(C)C 90813705 JVDGEMCYQRHPDP-LBPRGKRZSA-N 272.344 3.949 0 40 CHAB COc1cccc(OC)c1C(=O)c1ccc(Cl)c(C)c1 95916515 NNIYDSOCULJVKJ-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB COc1ccc(C(=O)c2cc(Cl)ccc2C)cc1OC 95916560 ZFJUJDOAMXGWNK-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB O=C(/C=C/c1ccoc1)N(Cc1ccsc1)C1CC1 96120297 NLOLBUMHXIUSSC-DAFODLJHSA-N 273.357 3.546 0 40 CHAB CCOc1cc(CNc2ccc(F)cc2)ccc1OC 20090439 QJGNRPANOTXEAH-UHFFFAOYSA-N 275.323 3.845 0 40 CHAB COC(=O)C[C@@H](C)SCc1ncc(-c2ccccc2)o1 78812558 UCQZTXUSZVAEFW-LLVKDONJSA-N 291.372 3.526 0 40 CHAB NC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 7700889 DRQQTKQCRPIASE-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB Cc1ccc2cccc(NC(=O)/C=C/c3ccco3)c2n1 12935179 FFTDOZADFPQFLE-MDZDMXLPSA-N 278.311 3.788 0 40 CHAB CCOc1cccc(NC(=O)CCCOc2ccccc2)c1 13670062 SFPGCCMQRTXITB-UHFFFAOYSA-N 299.370 3.883 0 40 CHAB O=C(CCc1ccsc1)Nc1ccc(F)cc1F 21889068 WWQDOLKNAMPGEQ-UHFFFAOYSA-N 267.300 3.598 0 40 CHAB Cc1cc(F)ccc1NC(=S)Nc1ccccc1 13937287 WFDWVLVVMNRAGW-UHFFFAOYSA-N 260.337 3.943 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cn(C)c2ccccc12 5265694 JLIYNKZKLNKSSI-TZMCWYRMSA-N 285.391 3.879 0 40 CHAB Nc1sc2c(c1C(=O)Nc1ccc(F)cc1)CCCC2 8727695 ZNFXXKKBGXWWDR-UHFFFAOYSA-N 290.363 3.601 0 40 CHAB CCOc1ccc2nc(SCc3ccon3)sc2c1 12412332 IVYZCJGKUNYNAT-UHFFFAOYSA-N 292.385 3.975 0 40 CHAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)O)(C4)C2)C3)cc1 100078154 UWPMIBVQZDSYNA-DIOPXHOYSA-N 270.372 3.918 0 40 CHAB CC(C)[C@@H](CCN1CCN(C)CC1)c1ccc(Cl)cc1 20573391 HOSQHUKNCZIYJP-QGZVFWFLSA-N 294.870 3.717 0 40 CHAB COc1ccc(CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102377076 MNGASJXVAKILMO-QEWYBTABSA-N 259.393 3.610 0 40 CHAB OCc1ccc(OCCCOc2ccc(Cl)cc2)cc1 41482910 DSFKPSDHYDWEKA-UHFFFAOYSA-N 292.762 3.680 0 40 CHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nccs2)cc1 505772 GLVBJAIMVCGHER-LLVKDONJSA-N 290.388 3.674 0 40 CHAB O=C(c1oc2ccccc2c1-n1cccc1)C1CC1 105841 YVHQIFBFGFCNOR-UHFFFAOYSA-N 251.285 3.816 0 40 CHAB CCOC(=O)C1=C(Nc2ccc(F)cc2)CCCC1 111309 FICFMIKBAXOIJT-UHFFFAOYSA-N 263.312 3.629 0 40 CHAB C[C@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1)C(=O)O 297070 BDMDXLRFUPFFHD-CZUORRHYSA-N 297.354 3.520 0 40 CHAB Cc1cc2cccc(C)c2nc1SCC(=O)OC(C)C 420653 VNAGAFYZLWZLPP-UHFFFAOYSA-N 289.400 3.895 0 40 CHAB Cc1cccc(CN2C(=O)CCCc3ccccc32)c1 1386971 AOAXZDDSFDEYSA-UHFFFAOYSA-N 265.356 3.865 0 40 CHAB C[C@H]1CCC(c2ccccc2)(c2ccccc2)C1=O 1564884 SJLGMEWPVADDPU-AWEZNQCLSA-N 250.341 3.972 0 40 CHAB COc1ccc(/C=C/C(=O)OCC2CCCCC2)cc1 1633893 IGFOYOFONXXYRC-FMIVXFBMSA-N 274.360 3.832 0 40 CHAB COc1ccccc1-c1cc(-c2ccccc2OC)n(C)n1 2733295 XLDGJCDBUCUDAR-UHFFFAOYSA-N 294.354 3.771 0 40 CHAB CCN(CC)c1ccc(C(=O)Nc2ncc(C)s2)cc1 3325505 RCJSLFSDGZESGJ-UHFFFAOYSA-N 289.404 3.550 0 40 CHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 3515443 GEBSZOIWDKVPMS-CQSZACIVSA-N 297.354 3.604 0 40 CHAB C[C@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCN2C1 4027344 HBGSSXPVPKMKAU-YVEFUNNKSA-N 254.377 3.671 0 40 CHAB biogenic C[C@@H]1CCCN(CCOCCSc2ccccc2)C1 4568465 GTDGCZAGEYQBAY-OAHLLOKOSA-N 279.449 3.527 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1c(F)cccc1Cl 6790531 FYILTTLUVMZWDP-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB COc1cccc2c1N(C(=O)C1CC1)C(C)(C)C=C2C 10157728 BPCVFTGOKJDPQA-UHFFFAOYSA-N 271.360 3.634 0 40 CHAB Cc1ccc(C)c(N[C@H](C(=O)NC2CC2)c2ccccc2)c1 12556237 GSLUNLHWERGLDU-SFHVURJKSA-N 294.398 3.735 0 40 CHAB O=C(NCc1ccccc1F)N[C@@H](c1ccccc1)C1CC1 12994169 PSGSWULCMCFMLU-KRWDZBQOSA-N 298.361 3.776 0 40 CHAB C[C@H](CC(=O)O)CC(=O)c1ccc(Cl)c(Cl)c1 15441742 ZTILJBHQENWYQA-ZETCQYMHSA-N 275.131 3.677 0 40 CHAB Cc1cc(-c2nnc(S)n2C2CCCC2)cs1 16990985 JSLBCHFKLBZSCQ-UHFFFAOYSA-N 265.407 3.719 0 40 CHAB S=C(Nc1cc(Cl)cc(Cl)c1)Nc1cnccn1 17024681 IICFEMKKVJQWCS-UHFFFAOYSA-N 299.186 3.592 0 40 CHAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc2ncccc12 20913454 WENWJBPVAUMDER-ZDUSSCGKSA-N 292.338 3.641 0 40 CHAB Cc1ccc(CCCNC(=O)c2cccs2)c(C)c1 21938044 RUYKNFALWQUKSA-UHFFFAOYSA-N 273.401 3.728 0 40 CHAB CCOc1ccc(OCC)c(NC(=O)c2occc2C)c1 25321131 BHYXUEKNEYLEFS-UHFFFAOYSA-N 289.331 3.638 0 40 CHAB C1=C(CCNc2cnc3ccccc3n2)CCCC1 26134927 OXLQTJCNASPWAH-UHFFFAOYSA-N 253.349 3.932 0 40 CHAB COc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 31663238 FGLSNUFRSGMBKX-CQSZACIVSA-N 299.370 3.718 0 40 CHAB CCC[C@@H](C)NC(=O)CS[C@H](C)c1ccccc1 33047594 CYKCUWHRZVGRLR-CHWSQXEVSA-N 265.422 3.786 0 40 CHAB CC(C)[C@H](CO)N(Cc1ccccc1)Cc1ccccc1 34195349 ZWLAXLXECFRUPM-IBGZPJMESA-N 283.415 3.706 0 40 CHAB Nc1ccc2nc(-c3ccccc3Br)oc2c1 34940022 SLCVPIBBUOYMET-UHFFFAOYSA-N 289.132 3.840 0 40 CHAB c1ccc(COc2cccc([C@@H]3NCCS3)c2)cc1 35505005 SDHXREBBMPUELS-MRXNPFEDSA-N 271.385 3.601 0 40 CHAB Cc1cccc(NC(=O)c2ccc(N3CCCC3)cc2)c1 36139656 NYDJYXUTMCOOKI-UHFFFAOYSA-N 280.371 3.848 0 40 CHAB CN(Cc1ccsc1)C(=O)CSCc1cccs1 40464705 GWHVAWCJSUZWDF-UHFFFAOYSA-N 297.470 3.701 0 40 CHAB Cc1cc2cc(NC(=O)C3CCCCC3)ccc2[nH]1 43771600 VFQGCSZINPSFBG-UHFFFAOYSA-N 256.349 3.995 0 40 CHAB in-vivo CSc1ccccc1C(=O)NCCSC1CCCC1 46450693 HVPMHZLRAIYVEQ-UHFFFAOYSA-N 295.473 3.814 0 40 CHAB CCC(=O)Nc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1C 47977143 VSJFRTGMHCEXOO-LBPRGKRZSA-N 291.395 3.510 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1ccc(Cl)cc1 48412021 LLCNVCBCEVNRCS-HNNXBMFYSA-N 271.747 3.757 0 40 CHAB O=C(COc1ccccc1)c1ccccc1OC(F)(F)F 55200627 VJAQQBQCCZYWBG-UHFFFAOYSA-N 296.244 3.847 0 40 CHAB c1cc(CCN2CCC[C@@H]2c2ccsc2)ccn1 58434794 ZFMFLTZFHMQSCM-OAHLLOKOSA-N 258.390 3.523 0 40 CHAB CCO[C@H]1C[C@@H](NCc2cccc(O)c2)C12CCCCC2 75092253 IIRGZAREOFZPFD-SJORKVTESA-N 289.419 3.610 0 40 CHAB c1ccc2c(CN3CCC[C@H]3CN3CCCC3)cccc2c1 84598425 UTBZSIKFIQSCSN-IBGZPJMESA-N 294.442 3.900 0 40 CHAB CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)nc(C)n2C 84735479 ZDPZSLXHDSUFAC-DZGCQCFKSA-N 299.418 3.580 0 40 CHAB C[C@H](Nc1ncnc2sccc12)c1nc2ccccc2[nH]1 95348626 LAOJHADQSWCVFC-VIFPVBQESA-N 295.371 3.741 0 40 CHAB Cc1cnc(CCN[C@@H]2CCSc3ccccc32)s1 95423291 NPNPQKKMYFUYJI-CYBMUJFWSA-N 290.457 3.821 0 40 CHAB COc1cc(-c2csc(Br)n2)ccc1C 95751631 HHUKPCZBXXPONA-UHFFFAOYSA-N 284.178 3.890 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2CSc3ccccc32)c(C)c1O 95972498 VAUPHHHNVJETIU-CYBMUJFWSA-N 299.395 3.837 0 40 CHAB CC[C@@H](C)n1nccc1NC(=O)Nc1cccc(OC)c1 95987473 RRSUNVDKSPEEDV-LLVKDONJSA-N 288.351 3.507 0 40 CHAB Cc1csc(CNc2ccccc2N2CCCC2)n1 96486261 QADBJJXMYLHCKG-UHFFFAOYSA-N 273.405 3.664 0 40 CHAB c1ccc2c(c1)CCN2Cc1csc(-c2ccoc2)n1 108355840 FDIXKZXVILGPHR-UHFFFAOYSA-N 282.368 3.966 0 40 CHAB Cc1ccc(F)cc1NC(=O)C1CCC(F)(F)CC1 122023375 QZHZEWNYHKRCOL-UHFFFAOYSA-N 271.282 3.898 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)CCc1ccccc1F 224766627 PYSTUVIDEYDGPG-UHFFFAOYSA-N 299.389 3.896 0 40 CHAB CNc1ccc2oc(-c3cc(OC)cc(OC)c3)nc2c1 226272050 HVEJQJYDADEWOV-UHFFFAOYSA-N 284.315 3.554 0 40 CHAB COC(=O)[C@H](C)N1c2cc(Cl)ccc2[C@H](C)CC1(C)C 260714670 DRDKTBPPDHCOIQ-MNOVXSKESA-N 295.810 3.994 0 40 CHAB CCc1ccccc1NC(=S)NC(=O)c1cccc(C)c1 408596766 UJRLTYYAQBZQTH-UHFFFAOYSA-N 298.411 3.684 0 40 CHAB Cc1cc(Nc2ccccc2O)c2ccccc2n1 541046 DBXSNYNFYFBCRA-UHFFFAOYSA-N 250.301 3.992 0 40 CHAB CCN(CC)Cc1ccc(NC(=O)c2ccccc2)cc1 568251 HSYWKISLWCMZKJ-UHFFFAOYSA-N 282.387 3.781 0 40 CHAB CCc1ccc(NC(=O)Cc2ccc(C)cc2)cc1 577991 IBWXTRYXOOFCLG-UHFFFAOYSA-N 253.345 3.739 0 40 CHAB Cc1ccc(-c2csc(N(C)C(=O)c3ccco3)n2)cc1 932649 QOALDAQHCASBOD-UHFFFAOYSA-N 298.367 3.988 0 40 CHAB CCCCCC[C@](C)(O)[C@@H](C(=O)O)c1ccccc1 1577315 WSXBEMRFZYJPQB-ZBFHGGJFSA-N 264.365 3.576 0 40 CHAB CCOc1ccccc1OC(=O)c1ccc(Cl)cc1 1598217 AZPXRJQIADCHKN-UHFFFAOYSA-N 276.719 3.958 0 40 CHAB CC(=O)CC(=O)O[C@@H](CC(C)C)C[C@@H](C)CC(C)C 1665823 KVEZJNRZRRMMIV-ZFWWWQNUSA-N 270.413 3.996 0 40 CHAB CCOC(=O)c1cccc(-c2cccc(C(=O)OCC)c2)c1 2567511 GGAIUEMEDFREBS-UHFFFAOYSA-N 298.338 3.707 0 40 CHAB Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1C(=O)OC(C)(C)C 2570772 KQSCGNZQARWILK-UHFFFAOYSA-N 295.379 3.542 0 40 CHAB CC(C)Sc1nnc(NCc2ccccc2)s1 2630258 WRWUAVPUYUEESN-UHFFFAOYSA-N 265.407 3.651 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)C1(c2ccccc2)CC1 3419945 KZIZBBRVYFVQHF-CQSZACIVSA-N 295.382 3.604 0 40 CHAB COc1ccc(C)cc1NC(=O)COc1cc(C)cc(C)c1 3434663 WPXGZKRQGOLNGH-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB CC(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 3479696 KPGVJWJIWITFBQ-BJMVGYQFSA-N 283.302 3.680 0 40 CHAB O=C(Nc1cccc(F)c1)c1cccc(OC(F)F)c1 3548434 ZPDMEGDDYBYFFF-UHFFFAOYSA-N 281.233 3.679 0 40 CHAB CCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 4034015 YEOAJGDASKXCRB-UHFFFAOYSA-N 265.316 3.578 0 40 CHAB Cc1ccc([C@H](Nc2cc(C)cc(C)c2)C(=O)O)cc1 4244783 QAFHRAABXONVEO-INIZCTEOSA-N 269.344 3.850 0 40 CHAB CC(=O)Nc1ncc(Cc2ccc(C(C)C)cc2)s1 4292110 UGGRYPVLJBBNGQ-UHFFFAOYSA-N 274.389 3.816 0 40 CHAB COC(=O)c1cccc2c1N[C@@H]1C[C@@H](C)CC[C@H]1C2(C)C 4817092 LEVRTGSAASAKJI-NJZAAPMLSA-N 287.403 3.981 0 40 CHAB Cn1ccnc1SCc1cccc2ccccc12 5635116 KENXGHBCFSSPOS-UHFFFAOYSA-N 254.358 3.866 0 40 CHAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccccc1 5998916 TYFMONSJHSLCIY-UHFFFAOYSA-N 280.371 3.535 0 40 CHAB O=C(CCc1ccc(F)cc1)Nc1ccc(F)cc1F 7134552 IELQPWYRADDMKC-UHFFFAOYSA-N 279.261 3.675 0 40 CHAB Cc1ccc(C2=NC3(CCCCC3)N=C2S)cc1 8682861 WVINIBXFCGMAFY-UHFFFAOYSA-N 258.390 3.786 0 40 CHAB CCc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1 8686176 MIZUYLIVYNGPNN-UHFFFAOYSA-N 296.399 3.934 0 40 CHAB CSc1ccc(C(=S)N2CCC(C)CC2)cc1 9188320 IRMZNAIHXCSACY-UHFFFAOYSA-N 265.447 3.816 0 40 CHAB C[C@H](NC(=O)c1ccccc1)c1ccc(OC(F)F)cc1 12876629 QPGZBNIYBYRKNO-NSHDSACASA-N 291.297 3.779 0 40 CHAB C[C@@H](NC(=O)NCCC1=CCCCC1)c1ccccc1 12950040 ULKMKMKHTLVGIU-CQSZACIVSA-N 272.392 3.937 0 40 CHAB Cc1ccc(NC(=O)N2C(C)(C)CC(O)CC2(C)C)cc1 16293072 MTRYUMAJEBJBHU-UHFFFAOYSA-N 290.407 3.541 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)c1cccc(Cl)c1 18253845 IZICESPTTAWKHI-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB O=C(Nc1ccccc1F)Nc1cc(F)ccc1F 19075126 KVXDFKCSEUBLIB-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB O=C(O)C1(c2ccc(Br)cc2)CCCCC1 20281972 JJVXUXDLDJORKK-UHFFFAOYSA-N 283.165 3.736 0 40 CHAB CC(=O)Nc1cccc(C(=O)Nc2cc(C)cc(C)c2)c1 23654066 YXEBBADMFCBENR-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB Fc1ccc(CN2CCc3ccccc3C2)c2ncccc12 24678520 STAFWAKCBFWAAV-UHFFFAOYSA-N 292.357 3.932 0 40 CHAB COC(=O)C(C)=C(c1ccccc1)c1ccccc1 38338021 ARGBHFNAVTWPAM-UHFFFAOYSA-N 252.313 3.681 0 40 CHAB Cc1ccc(OCCCCNC(=O)C[C@H]2C=CCC2)cc1 40122465 MSJXTJOCJHIAIX-INIZCTEOSA-N 287.403 3.627 0 40 CHAB CC(C)CCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 59301629 BCUZSCZQWGPEHC-ZDUSSCGKSA-N 273.298 3.842 0 40 CHAB c1ccc(-c2c[nH]c(SCc3nnc(C4CC4)o3)n2)cc1 63536769 IKIAOMTVRRFAPS-UHFFFAOYSA-N 298.371 3.629 0 40 CHAB Cc1cc(C)c(CSc2cccc[n+]2[O-])c(C)c1 64926645 LYLWJKIUDXUXEC-UHFFFAOYSA-N 259.374 3.538 0 40 CHAB Cc1cc(C(=O)N(C(C)C)C2CCCC2)nn1C(C)(C)C 69652921 RRJJJKXUDYCGQY-UHFFFAOYSA-N 291.439 3.740 0 40 CHAB CCOc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72211768 BEERZAFPMBKYJD-KRWDZBQOSA-N 282.387 3.817 0 40 CHAB CC(C)CN1CCCC[C@H]1c1ccc(N2CCCC2)nc1 72215945 PJJYMBMZBDOSSN-KRWDZBQOSA-N 287.451 3.865 0 40 CHAB CC(C)(C)OC(=O)NCc1ccc(Nc2ccccc2)nc1 72225297 UDQPNFDKFLWTMM-UHFFFAOYSA-N 299.374 3.850 0 40 CHAB C[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1c(Cl)cccc1Cl 84686724 BSUAPJCFMNZSGE-OPRDCNLKSA-N 286.202 3.869 0 40 CHAB O=C(O)C1(Cc2cccc(C(F)(F)F)c2)CCC1 87411171 HKFJHJJRYWEQFL-UHFFFAOYSA-N 258.239 3.503 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1ccc(Oc2cccnc2)nc1 89877861 RWZYMWDPXQOEQY-ZDUSSCGKSA-N 295.342 3.564 0 40 CHAB Cc1cc(C(=O)N2CC=C(c3cnccc3C)CC2)c(C)o1 95464863 YHNCEFUQDCZXDF-UHFFFAOYSA-N 296.370 3.529 0 40 CHAB O=C(Nc1ccncc1)N[C@@H](c1ccccc1)C1CCC1 104767637 WTYAFCFZAVSPSE-INIZCTEOSA-N 281.359 3.745 0 40 CHAB COCc1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106526886 GWAYBAJHMFILBK-YDHLFZDLSA-N 273.376 3.598 0 40 CHAB O=C(O)CCCc1ccc(-c2ccccc2F)cc1 146119917 KTBYOYWDJLVJTL-UHFFFAOYSA-N 258.292 3.900 0 40 CHAB c1csc([C@@H](N[C@H]2CCCc3occc32)C2CC2)n1 192903866 SICGSGZFDXLPNE-JSGCOSHPSA-N 274.389 3.854 0 40 CHAB O=C(Nc1ccccc1Cl)N1[C@H]2C=CC[C@H]1CC2 208026574 UQUCGOATXUXCDN-QWRGUYRKSA-N 262.740 3.665 0 40 CHAB C[C@@H]1CCCCN1CCCCOc1ccccc1C=O 217795941 WMIWTTWSWAXQPG-OAHLLOKOSA-N 275.392 3.533 0 40 CHAB CC(C)(C)C(=O)NCCSCc1ccccc1Cl 223185875 FMXXJTHCOSUAIZ-UHFFFAOYSA-N 285.840 3.736 0 40 CHAB CCn1nc(-c2ccc(F)cc2)c(Br)c1C 253591698 POYUGFZYUTZPGG-UHFFFAOYSA-N 283.144 3.780 0 40 CHAB CC[C@H](Cl)C(=O)c1cc(F)c(Cl)c(F)c1 382675668 PNRVRAVLDWXSGI-LURJTMIESA-N 253.075 3.818 0 40 CHAB CCSc1ccc(C(=O)CCCCC(=O)OC)cc1 575357638 PIEKHUSVWANKKC-UHFFFAOYSA-N 280.389 3.715 0 40 CHAB OCc1cc(-c2cccs2)nc2ccc(F)cc12 685937743 ZBKXOMXJWUJOPM-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB Nc1c(Cl)ccc(NC(=O)OCc2ccccc2)c1F 1565504600 NQVFWTVJKOMSIP-UHFFFAOYSA-N 294.713 3.810 0 40 CHAB CC[C@@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 51679 PELDFWBVLFWHIS-OAHLLOKOSA-N 294.826 3.933 0 40 CHAB CCc1ccc(NCc2nc(-c3ccccc3)no2)cc1 203376 IQYRLKVBFFUTMK-UHFFFAOYSA-N 279.343 3.911 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C)cc1 364584 YBZDKVKPEFXAAS-AWEZNQCLSA-N 269.344 3.709 0 40 CHAB CC(C)(C)CC(=O)Nc1cccc(Br)c1 372648 NOJUBFZXVXNCTR-UHFFFAOYSA-N 270.170 3.824 0 40 CHAB Cc1ccc(C)c(CSc2nnc([C@@H](N)C(C)C)o2)c1 532701 FPWNUFIDNOTHAK-ZDUSSCGKSA-N 291.420 3.635 0 40 CHAB O=C(c1cccc(F)c1F)N1CCCc2ccccc21 796967 KXEJVYJYCRHFJK-UHFFFAOYSA-N 273.282 3.558 0 40 CHAB Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1 819101 BPOLNIQRAQRPDW-UHFFFAOYSA-N 299.324 3.977 0 40 CHAB COc1ccc(N[C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)cc1 1647305 KFKLIBAWHRUNOV-JJRVBVJISA-N 273.376 3.501 0 40 CHAB CC1(C)CC(=O)C(c2ccccc2)(c2ccccc2)C(=O)C1 1697962 ODCLOJBFBKDMOL-UHFFFAOYSA-N 292.378 3.931 0 40 CHAB NC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 1750698 IGRDXKFINFGPIL-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB O=C(O)/C=C/c1ccc2c(c1)CC1(Cc3ccccc3C1)C2 1855618 QDUPLBCEMNFINR-SOFGYWHQSA-N 290.362 3.668 0 40 CHAB O=C(O)COc1cc(-c2ccccc2)nc2ccc(F)cc12 1857147 JZNLCJDRTMFKNG-UHFFFAOYSA-N 297.285 3.504 0 40 CHAB CCOC(=O)CCCCCC(=O)c1cc(F)cc(F)c1 2378928 FUTVHWRETVBWNK-UHFFFAOYSA-N 284.302 3.661 0 40 CHAB Fc1cccc2sc(N3CCc4ccccc4C3)nc12 4137852 WLBODKXLWCIWJY-UHFFFAOYSA-N 284.359 3.998 0 40 CHAB CC(=O)Oc1ccc2c(Br)cccc2c1 4666354 FFMWMXGKUDMYNC-UHFFFAOYSA-N 265.106 3.528 0 40 CHAB COc1cc(/C=C/C(=O)O)ccc1OCc1ccc(C)cc1 6845248 NOCXAUPTXOZBOH-CSKARUKUSA-N 298.338 3.680 0 40 CHAB O=C(Nc1ccc(OC(=O)C2CCC2)cc1)c1ccccc1 7799130 CGFPFECYZULPIO-UHFFFAOYSA-N 295.338 3.644 0 40 CHAB CCc1cc(C(=O)NCCc2ccc(F)cc2)sc1C 8264338 SLJVPYOKAKELIE-UHFFFAOYSA-N 291.391 3.731 0 40 CHAB CCOc1ccc(Nc2c(C=O)cccc2OC)cc1 8703703 QOFHYMYVYXMRDS-UHFFFAOYSA-N 271.316 3.650 0 40 CHAB CCc1cccc(CC)c1NC(=O)[C@H]1Cc2ccccc2O1 9514784 IMSIEOMOUMFWCC-QGZVFWFLSA-N 295.382 3.754 0 40 CHAB O=C(CCc1ccccc1)Nc1nnc(C2CCCCC2)o1 10881547 YOGIKIREAUWAIN-UHFFFAOYSA-N 299.374 3.689 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1cccc(C(C)C)c1 12797714 FCLALDLTTFUEAL-UHFFFAOYSA-N 286.375 3.986 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)C2CCCC2)c1 12853363 FRNHVIOPQKJZTB-UHFFFAOYSA-N 288.391 3.800 0 40 CHAB C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)NC(C)(C)C 12920404 KXKNWJPLVIFQAN-MRVPVSSYSA-N 289.803 3.874 0 40 CHAB Cc1ccc(-n2c(S)nnc2-c2ccc(O)cc2)c(C)c1 13533912 CIIDSOGNYNGNST-UHFFFAOYSA-N 297.383 3.545 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1 14180549 DCCTYDOYIGVYLB-LLVKDONJSA-N 260.362 3.939 0 40 CHAB Cc1cc(Sc2ccc3ccccc3c2)n2ncnc2n1 14253873 DAAQIYALKUOGOU-UHFFFAOYSA-N 292.367 3.737 0 40 CHAB O=C(c1cccs1)N1CCC[C@H]1c1cccs1 15835759 OECIWNBYJCPNDG-JTQLQIEISA-N 263.387 3.787 0 40 CHAB Cc1cccc(NC(=O)/C=C\c2ccccc2)c1C 17021664 RQHNIXYBYDVNBQ-QXMHVHEDSA-N 251.329 3.955 0 40 CHAB Cc1cccc(C)c1NC(=S)c1nc2ccccc2[nH]1 17135790 GQEKNRMTUVEIDA-UHFFFAOYSA-N 281.384 3.967 0 40 CHAB O=C(OCc1ccc(Cl)cc1)c1cnc2ccccc2n1 21888755 KVTMWVVDNSRLFR-UHFFFAOYSA-N 298.729 3.640 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)c1cc2c(s1)CCC2 24442324 IYPROEQYSCKQFI-NSHDSACASA-N 283.396 3.828 0 40 CHAB CCCCc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1 25595727 ZEVFVMYGFLFDOV-UHFFFAOYSA-N 285.391 3.632 0 40 CHAB CCCCNCc1ccc(OC2CCCC2)c(OC)c1 32123262 WMMGJHUXFACVOP-UHFFFAOYSA-N 277.408 3.906 0 40 CHAB COCc1cccc(C(=O)Nc2cccc(SC)c2)c1 32738565 WSLGQCAGLLVCCE-UHFFFAOYSA-N 287.384 3.807 0 40 CHAB CC[C@@H](C)NC(=O)c1cccnc1Sc1ccccc1 36674110 YPECZINNTSBRAO-GFCCVEGCSA-N 286.400 3.761 0 40 CHAB S=c1ccc(-c2cccc(Br)c2)n[nH]1 39346861 KTJAFULOBDQWLW-UHFFFAOYSA-N 267.151 3.569 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@H]1C 40092999 GYYQKCJCPPZFJX-SNVBAGLBSA-N 266.410 3.590 0 40 CHAB Cc1nc(COC(=O)c2cc3ccccc3cc2O)oc1C 48311551 RVMOCPMEMDQTQQ-UHFFFAOYSA-N 297.310 3.507 0 40 CHAB C(=C/c1ccccc1)\CSc1nc(-c2cccnc2)n[nH]1 48339786 BFMQZYOHBWBBRL-VMPITWQZSA-N 294.383 3.672 0 40 CHAB CC(C)(C)Cc1nc(CCNc2cccc(Cl)c2)n[nH]1 62719094 XTMSOYRKSHZCCI-UHFFFAOYSA-N 292.814 3.701 0 40 CHAB O=C(O)[C@@H]1C[C@@H]1c1ccc(-c2ccccc2Cl)o1 70452961 YTYROQWWJRSTIX-VHSXEESVSA-N 262.692 3.788 0 40 CHAB Cc1ccc(OCc2ccccc2Cl)c(CO)c1 71409780 HEIWOMFWMHBDNF-UHFFFAOYSA-N 262.736 3.720 0 40 CHAB CSc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72216889 PEEOTEXBERXQCZ-OAHLLOKOSA-N 298.411 3.781 0 40 CHAB CC(C)n1c(CNCC(C)(C)C)nc2ccccc21 76017836 CQDJIVVZZVACQL-UHFFFAOYSA-N 259.397 3.753 0 40 CHAB Cc1cncc(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 79563242 DBLMCGHXFCPOHX-UHFFFAOYSA-N 286.762 3.714 0 40 CHAB NCC1(c2nc(-c3ccccc3)cs2)CCCC1 84610487 DVUWLSYLDMDTEK-UHFFFAOYSA-N 258.390 3.581 0 40 CHAB CCC[C@@H]1CCCN(C(=O)Nc2cccnc2OC)CC1 84740727 DIVSKZLFZUJHJC-CYBMUJFWSA-N 291.395 3.524 0 40 CHAB Cc1nc(CCN[C@@H]2CCSc3ccccc32)cs1 89712383 VVVPPFMOPIERBS-CQSZACIVSA-N 290.457 3.821 0 40 CHAB CCOc1cc(CO)c(Cl)cc1OCc1ccccc1 95095051 PGAYVENMSSUHJE-UHFFFAOYSA-N 292.762 3.810 0 40 CHAB O=Cc1cccc(OCc2ccc(F)c(Cl)c2)c1 95738610 XLPGAKJEQAKPTI-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB O=C(NC1CCCC1)c1ccc(Oc2cccc(F)c2)o1 96183913 IHNLSULQIFPJCB-UHFFFAOYSA-N 289.306 3.883 0 40 CHAB CCNc1ccc(Cl)cc1NC(=O)c1scnc1C 97048590 OFFLHIOCYAYPOE-UHFFFAOYSA-N 295.795 3.789 0 40 CHAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@H]2C[C@H]2C)C2CC2)o1 107490340 BZZXZXRGDZWMQH-DRABBMOASA-N 273.376 3.550 0 40 CHAB COc1ccc(C(=O)CCc2ccc(F)cc2)cc1OC 199729026 RQGVYQAUDYCITC-UHFFFAOYSA-N 288.318 3.658 0 40 CHAB CC[C@@H](C)n1c(CO)ccc1CCc1ccccc1 226028455 IKIANXGPRYBKNG-CQSZACIVSA-N 257.377 3.737 0 40 CHAB O=C1CS[C@@H](c2ccco2)N1c1ccc(Cl)cc1 408558233 SKLZFCUOVLYNBY-ZDUSSCGKSA-N 279.748 3.712 0 40 CHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)[C@@H]1CC=CCC1 575415594 FDJYYFCEVYDJSV-ZIAGYGMSSA-N 283.371 3.836 0 40 CHAB CCc1c(-c2ccccc2)[nH]c2cccc(F)c2c1=O 685938764 WQMCYMQTMOFRIY-UHFFFAOYSA-N 267.303 3.897 0 40 CHAB Cc1ccc(/C=C2/C(=O)Nc3ccc(F)cc32)cc1C 725239922 FRXNWMMAGZVYGZ-OVCLIPMQSA-N 267.303 3.935 0 40 CHAB O=C1Nc2ccccc2N(O)N1c1cccc(Cl)c1 184504 PCPILBCVUSXLJO-UHFFFAOYSA-N 275.695 3.503 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1cccc(N2CCCC2)c1 381954 XBPXSYKVPWQVIC-VAWYXSNFSA-N 292.382 3.939 0 40 CHAB CCOc1cccc(NC(=O)c2ccc(Cl)cc2)c1 383473 KFUZYTPCHJPYQE-UHFFFAOYSA-N 275.735 3.991 0 40 CHAB COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cn1 384272 VOLFDVCWVGRLIR-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB c1csc(CSc2nnc3c(n2)[nH]c2ccccc23)c1 3628874 WCXXDJONEUPQFT-UHFFFAOYSA-N 298.396 3.860 0 40 CHAB Cc1ccc(NCc2nc3ccccc3n2C)c(C)c1 3894898 RKNPSKPCKPOHGU-UHFFFAOYSA-N 265.360 3.802 0 40 CHAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1ccccc1F 3904960 RVQIYLDWJBKUAL-MELADBBJSA-N 293.382 3.634 0 40 CHAB O[C@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 4242388 YKMDZKHKLVIGQR-CYBMUJFWSA-N 254.663 3.700 0 40 CHAB CCSc1nc(N)c2c3c(sc2n1)CC[C@H](C)C3 4734470 IJLNSCLDPKPUPS-ZETCQYMHSA-N 279.434 3.510 0 40 CHAB O=C(O)c1cc(=O)c2ccc(-c3ccccc3Cl)cc2[nH]1 4878271 UVJAUANRCACVPH-UHFFFAOYSA-N 299.713 3.547 0 40 CHAB CCn1cc(NC(=O)Nc2nccs2)c2ccccc21 5266207 FJLKGNQSBVFDQM-UHFFFAOYSA-N 286.360 3.762 0 40 CHAB CCCCC[C@H](C)NC(=O)/C=C/c1ccc(F)cc1 5464890 BZLDZXXRIGMWTB-SRXBQZRASA-N 263.356 3.924 0 40 CHAB c1ccc2sc(SC[C@H]3CCCO3)nc2c1 5778130 XVFIIGMKKKQYFN-SECBINFHSA-N 251.376 3.567 0 40 CHAB CCOc1ncccc1C(=O)Nc1ccc(C(C)C)cc1 6372532 AWZHGTDXYMQETA-UHFFFAOYSA-N 284.359 3.856 0 40 CHAB CC(=O)c1cc(CCC(=O)NC2CCCCCC2)oc1C 8114257 NAJJBAWPSMVJJA-UHFFFAOYSA-N 291.391 3.562 0 40 CHAB Cc1cccc(C)c1NC(=O)CC1(C(=O)O)CCCCC1 8987306 HDIDGHNAOIFVLB-UHFFFAOYSA-N 289.375 3.667 0 40 CHAB COc1ccc([C@H]2C[C@H]2C(=O)c2nc3ccccc3[nH]2)cc1 9913689 WWSLKYBYLDZCGQ-ZIAGYGMSSA-N 292.338 3.558 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CC=CCC1 12977149 GMMKBZJUQCOOMX-TZMCWYRMSA-N 275.417 3.940 0 40 CHAB CCCc1c(C)nc2ncnn2c1Nc1cc(C)cc(C)c1 13364955 FRIJUNLLSZSYGB-UHFFFAOYSA-N 295.390 3.746 0 40 CHAB C[C@H]1CCCN(C(=O)CSCc2cccc(Cl)c2)C1 13675438 GZJXQAMFOUZUIZ-LBPRGKRZSA-N 297.851 3.832 0 40 CHAB Cc1ccc(CN(Cc2ccccn2)Cc2ccccn2)o1 13990998 BCDSBAAPBUWPML-UHFFFAOYSA-N 293.370 3.580 0 40 CHAB c1ccc(-c2ccc(CSC3=NCCN3)cc2)cc1 14169358 IAZKQULZXDAQOV-UHFFFAOYSA-N 268.385 3.546 0 40 CHAB Cc1nc(CNC(=O)c2cccc3ccccc23)cs1 15832214 SDCYYHZHQDBOTD-UHFFFAOYSA-N 282.368 3.535 0 40 CHAB Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)O 19948266 DAGSZCZSBHHHSW-UHFFFAOYSA-N 272.087 3.655 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1F 20041634 XTCWIYFUFRTMOB-GFCCVEGCSA-N 287.334 3.794 0 40 CHAB C[C@H](NC(=O)CCc1cc2ccccc2o1)c1ccncc1 22753461 BBCPYLIKKQIBSB-ZDUSSCGKSA-N 294.354 3.638 0 40 CHAB C[C@H](NC(=O)CCc1cccnc1)c1cccc(Cl)c1 23482999 CKNKJMKFTUIECN-LBPRGKRZSA-N 288.778 3.545 0 40 CHAB O=C(Nc1cc(-c2ccccc2)no1)c1ccc(F)cc1 27664317 KARCNDQNKIJVJI-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB O=C(Sc1nc2ccccc2o1)c1ccc(F)cc1 28294095 KGZQUGGZZXJDRD-UHFFFAOYSA-N 273.288 3.899 0 40 CHAB O=C(Nc1cccc(F)c1)c1ccc(N2CCCC2)cc1 36139731 DKFKUBINMILDHF-UHFFFAOYSA-N 284.334 3.678 0 40 CHAB C[C@@H]1CCc2nc(NC(=O)c3ccsc3)sc2C1 37127586 OZNDXIBTHFIWSH-MRVPVSSYSA-N 278.402 3.582 0 40 CHAB COc1ccc(C)cc1N[C@@H](C)c1nc(C(C)(C)C)no1 40494017 DLKJNNJZJJUJJJ-NSHDSACASA-N 289.379 3.857 0 40 CHAB CC(=O)c1cccc(NCCCc2ccccc2)c1 41578595 QQXVFRQZGABQPR-UHFFFAOYSA-N 253.345 3.934 0 40 CHAB CC(C)c1ccc(OC[C@H]2CCCNC2)c(Cl)c1 42775022 OYYOHHSTEVIPHI-LBPRGKRZSA-N 267.800 3.842 0 40 CHAB CCOC(=O)c1ccc2ccccc2c1Br 44200340 TXDQMAGPAKABJU-UHFFFAOYSA-N 279.133 3.779 0 40 CHAB Cc1ccnc(C(=O)c2cc(Cl)cc(Cl)c2)c1 45028638 ZPGWLMOAPUZVPC-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 48841899 PGQYYLQGHGGQTJ-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB COc1cc(Br)ccc1-c1ccc(C=O)o1 57353737 IIDALZHLRILKRK-UHFFFAOYSA-N 281.105 3.530 0 40 CHAB Cc1ccc(Cl)c2c(C(=O)O)cc(Cl)nc12 62152147 DCDWUFOKIUCVLA-UHFFFAOYSA-N 256.088 3.548 0 40 CHAB CCCSc1nnc(NCc2ccccc2)s1 69051232 WUMPMTVBWMXDFI-UHFFFAOYSA-N 265.407 3.652 0 40 CHAB Clc1cccc(-c2nc3ccc(-n4cnnc4)cc3o2)c1 70461326 BDYXMNWRMBSSIO-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB COc1cc(Cl)ccc1C(=O)NCc1ccccc1C 72331760 KDVWQBAUKQIUNN-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB Cc1ccc(-c2nc3cc(-n4cnnc4)cc(C)c3o2)cc1 73639391 LOPNFIVOADWLNB-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB Cc1ccc(CN[C@@H](C)CC(=O)Nc2ccccc2)s1 78432554 LLBWUVWXYOTRRH-LBPRGKRZSA-N 288.416 3.563 0 40 CHAB Cc1ncc(CSCc2cn3ccccc3n2)s1 84495742 OSOIPRQCITWECA-UHFFFAOYSA-N 275.402 3.533 0 40 CHAB Cc1ccc([C@H](C)NC[C@@H](C)c2c(C)noc2C)o1 90727904 QOPZJJRSBOSIGO-KOLCDFICSA-N 262.353 3.647 0 40 CHAB COc1cc(CN[C@H]2C[C@@H](c3ccccc3)C2(C)C)ccn1 96009148 DTYNBAGDRHLBMN-IRXDYDNUSA-N 296.414 3.762 0 40 CHAB CC(C)n1nccc1NC(=O)N1C[C@H](C)CCC[C@H]1C 98014222 KPZNRVYOJZPIHZ-CHWSQXEVSA-N 278.400 3.506 0 40 CHAB FC(F)(Cl)[C@](F)(Cl)C(F)(Cl)Cl 103526872 BGVZJOTUYBNJDH-SFOWXEAESA-N 253.837 3.824 0 40 CHAB Cc1[nH]c2ccc(OC(C)C)cc2c1CNC(C)C 223769504 JYDJOCUNODMSNG-UHFFFAOYSA-N 260.381 3.762 0 40 CHAB O=C(O)[C@@H](Cc1ccccc1F)Oc1cccc(Cl)c1 225050688 WGLXBWHIBDCECN-CQSZACIVSA-N 294.709 3.554 0 40 CHAB COC(=O)C(C)(C)N1c2ccccc2[C@H](C)CC1(C)C 260624730 UJAAJGOHRJYIEQ-GFCCVEGCSA-N 275.392 3.730 0 40 CHAB C/C(=C\c1ccccc1OC(=O)c1ccccc1)[N+](=O)[O-] 408528097 RGLDDBKERHCNMN-VAWYXSNFSA-N 283.283 3.543 0 40 CHAB Fc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccco1)N2 377061 BGXDUIOHIMCBER-COLVAYQJSA-N 259.280 3.663 0 40 CHAB Cc1ccccc1C(=O)NC(C)(C)c1nc2ccccc2[nH]1 551182 BNGMBDYJPZKOKF-UHFFFAOYSA-N 293.370 3.536 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C)c1 580064 YJMXQIXVPDKAEW-MRXNPFEDSA-N 269.344 3.791 0 40 CHAB O=C(O)c1ccccc1C(=O)O[C@H]1CCC[C@@H]2CCC[C@@H]21 1700428 VEGRITIPQKETSW-HUBLWGQQSA-N 288.343 3.510 0 40 CHAB Cc1ccc(Oc2cccc3c[n+](C)ccc23)cc1 1716204 CXCPKTIWLQPQDB-UHFFFAOYSA-N 250.321 3.765 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 2181343 UVMNPLNJJKHKTF-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB O=C(c1ccc(F)cc1)[C@H]1O[C@H]1c1ccccc1Cl 2389617 PXRNXFWVULYKSD-LSDHHAIUSA-N 276.694 3.802 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cnc(C(C)(C)C)cn1 3851970 MERDVGFRHKGCKJ-UHFFFAOYSA-N 283.375 3.643 0 40 CHAB biogenic Cc1ccccc1-c1nnc(/C=C/c2ccco2)o1 4699951 PQNYECBIGIGFPS-CMDGGOBGSA-N 252.273 3.808 0 40 CHAB Cc1ccccc1/N=c1/[nH]c(=O)cc(-c2ccccc2)s1 5549008 VORRRXBIPDJRHJ-UHFFFAOYSA-N 294.379 3.644 0 40 CHAB CCc1nnc(SCc2ccccc2Cl)o1 6419374 CHJHEHHMMLXTTP-UHFFFAOYSA-N 254.742 3.578 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 6623656 NVKAWKQGWWIWPM-WOMNDYAZSA-N 290.447 3.959 0 40 CHAB biogenic,in-vitro O=C(Nc1ccccc1)c1ccc(N2CCCCC2)cc1 7504925 XWGPPXXVCDOJJL-UHFFFAOYSA-N 280.371 3.929 0 40 CHAB CCc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 8706368 WZRDPHHQXHSJKG-UHFFFAOYSA-N 299.186 3.722 0 40 CHAB Cc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)o1 8751612 RMLRQNNMRZHZFD-UHFFFAOYSA-N 276.292 3.589 0 40 CHAB CCCCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 11917845 OSNNCCLAMYRUME-UHFFFAOYSA-N 275.348 3.857 0 40 CHAB O=C(NCCCn1ccc2ccccc21)c1ccc(F)cc1 12563062 JPTKBRNUQKJQQW-UHFFFAOYSA-N 296.345 3.601 0 40 CHAB CC[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)O 13609250 HHHVCPRMICZAOK-OAHLLOKOSA-N 270.328 3.519 0 40 CHAB CCc1cccc(NC(=S)NCc2ccccc2)c1 13789205 KEJXXXJJRYOVJG-UHFFFAOYSA-N 270.401 3.736 0 40 CHAB Oc1ccc2oc(-c3cccc(Br)c3)nc2c1 16386276 VAJHIQQZAFCELM-UHFFFAOYSA-N 290.116 3.963 0 40 CHAB C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(F)cc2[nH]1 16903992 FVFIGLOSOTXSMA-SECBINFHSA-N 274.270 3.981 0 40 CHAB CCCSc1nnc(-c2c[nH]c3ccccc23)n1CC 18102178 QDTPGVCDBBNWRG-UHFFFAOYSA-N 286.404 3.948 0 40 CHAB Cc1c(C(=O)N[C@@H](C)c2cccnc2)oc2c(F)cccc12 19565807 SHKHSAASKPKZRL-NSHDSACASA-N 298.317 3.766 0 40 CHAB COc1ccc(CNc2cccc(C)c2C)cc1OC 19964221 ULTADPZJFROZJD-UHFFFAOYSA-N 271.360 3.933 0 40 CHAB CSc1ccc([C@H](C)NC(=O)Cc2ccccc2)cc1 20025336 NMYIEJYHYYNDJG-ZDUSSCGKSA-N 285.412 3.828 0 40 CHAB Cc1cc(C(F)(F)F)c2cnn(-c3ccc(F)cc3)c2n1 20604381 ZOWBVHPMCGOZMR-UHFFFAOYSA-N 295.239 3.887 0 40 CHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCCCCC1 22532364 HYHJMHVMYTXTIO-INIZCTEOSA-N 289.419 3.863 0 40 CHAB COc1cccc2cc([C@H](C)NC(=O)[C@H]3CC=CCC3)oc12 25138915 VUIYLGNYLFSWLZ-STQMWFEESA-N 299.370 3.975 0 40 CHAB O=C(Nc1cc(-c2ccccc2)no1)c1ccccc1F 27662796 WFNXTXFDDDPMBH-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB Cc1ccc(CN[C@@H](c2ccccc2)c2nccn2C)cc1 30643119 AOGVGAGEVYOQTD-SFHVURJKSA-N 291.398 3.608 0 40 CHAB CSCc1csc(NC(=O)Nc2cccs2)n1 36662233 FOJZZCMYPVXJOI-UHFFFAOYSA-N 285.419 3.712 0 40 CHAB COC(=O)c1sc(-c2cc3ccccc3o2)cc1N 37337638 XHIQJXAGRAPVBH-UHFFFAOYSA-N 273.313 3.530 0 40 CHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1F 39968679 OLKMZRRIHFOFNN-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Cc1noc(C)c1CN(Cc1ccccc1F)C1CC1 39992445 GTPJIIUEJBNFIF-UHFFFAOYSA-N 274.339 3.595 0 40 CHAB CCCN(CCC)c1ccc(C(F)(F)F)cc1N 42783210 DZHARJOZVHPKNA-UHFFFAOYSA-N 260.303 3.914 0 40 CHAB CCCCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 59301547 UUHZBJKXHBARIY-LBPRGKRZSA-N 259.271 3.596 0 40 CHAB CCNc1ccc([C@H]2CCCCN2CC(C)C)cn1 72213097 BDKAJMKNMCCWIQ-OAHLLOKOSA-N 261.413 3.696 0 40 CHAB CCc1ccc(CN[C@@](C)(COC)c2ccccc2)cc1 95985808 XFQPOFXVIGSDRP-IBGZPJMESA-N 283.415 3.900 0 40 CHAB O=C(c1ccc(Oc2ccccc2Cl)o1)N1CCCC1 96183886 GTFMSLVNRRRJMR-UHFFFAOYSA-N 291.734 3.961 0 40 CHAB Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1 100766177 SIQGKPGBLYKQBB-KFWWJZLASA-N 257.377 3.987 0 40 CHAB O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc(F)cc1F 104885882 JUUNWPZYETWKBU-MXWKQRLJSA-N 280.318 3.523 0 40 CHAB O=C(CCc1ncc(-c2ccccc2)o1)NC1CCCCC1 140571721 SULSARXWZYDYFP-UHFFFAOYSA-N 298.386 3.723 0 40 CHAB Cc1cc(Cl)ccc1-c1ccc(CCC(=O)O)o1 216923222 ZMZXFZBQFXXVJV-UHFFFAOYSA-N 264.708 3.926 0 40 CHAB Cc1cc(C)cc(O[C@H](Cc2ccccc2F)C(=O)O)c1 225051011 SMDFIRVRJGEVOV-MRXNPFEDSA-N 288.318 3.517 0 40 CHAB O=C(c1cc(F)ccc1Cl)C(F)(F)Br 306928464 YFYLVTSQJQYRPX-UHFFFAOYSA-N 287.462 3.650 0 40 CHAB CCC[C@@H]1C[C@@H](c2nc(-c3nc(C)cs3)no2)CCO1 390833318 FZAHYOGKOUEEEV-WDEREUQCSA-N 293.392 3.564 0 40 CHAB O=C(Nc1ncccn1)c1ccccc1Oc1ccccc1 390833556 JILTUAMXZXBSAC-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB Cc1cc(C)c(-c2[nH]c(C=O)nc2Br)cc1C 1857794875 PSDOAFKIXMVOAF-UHFFFAOYSA-N 293.164 3.577 0 40 CHAB CCOC(=O)c1cc2c(ccn2C)n1Cc1ccccc1C 1337992 XRNYOELSZHDGIT-UHFFFAOYSA-N 296.370 3.513 0 40 CHAB CCCCN(CCCC)[C@@H]1CCC[C@H](OC(=O)NC)C1 1714564 NTJFHLLKGBXEJW-CABCVRRESA-N 284.444 3.556 0 40 CHAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 3196819 UMUNAAWMXCZUDM-AWEZNQCLSA-N 293.775 3.707 0 40 CHAB CCOc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1 3359835 BTDUFIHQHCMDDJ-UHFFFAOYSA-N 294.713 3.525 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc(F)cc1F 3410391 GQOARABEQDCCEK-UHFFFAOYSA-N 277.270 3.534 0 40 CHAB Cc1ccc([C@H]2CN(C)CC[C@]2(O)c2ccc(C)cc2)cc1 4963709 BVTSSYHMGQTDKX-UXHICEINSA-N 295.426 3.610 0 40 CHAB CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1 6139141 AKQPTSQSHRFQMB-UHFFFAOYSA-N 260.259 3.579 0 40 CHAB O=C(N[C@H]1CCCc2occc21)c1ccc2ccccc2n1 84595095 WYQIFCBBPILRGV-HNNXBMFYSA-N 292.338 3.635 0 40 CHAB O=C(CCN1CCCCCC1)Nc1ccc(Cl)cc1F 12760711 HPHKAFAGUVBXFZ-UHFFFAOYSA-N 298.789 3.684 0 40 CHAB c1ccc(-c2nc3ccccn3c2CN2CCCC2)cc1 29117833 GYVPFWBCJXUVQG-UHFFFAOYSA-N 277.371 3.597 0 40 CHAB Clc1cccc2sc(NCc3ccccn3)nc12 11919971 RUYFIVYJESEJOA-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB CC(C)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 13938479 GQLHJXGGDBKIQK-UHFFFAOYSA-N 295.448 3.811 0 40 CHAB CCOC[C@H]1CCCN(Cc2nc3ccccc3s2)C1 72976363 NMCVFPWZULGJSC-ZDUSSCGKSA-N 290.432 3.545 0 40 CHAB C[C@@H]1CCCN(C(=S)c2ccc(Cl)cc2)C1 4544704 MKANJXAWRWUKPC-SNVBAGLBSA-N 253.798 3.747 0 40 CHAB O=C(Nc1nc2ccccc2s1)c1cc(F)cc(F)c1 6543185 IVDQEXOUHHIATA-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB COc1ccc2[nH]c(COc3ccc(C)c(C)c3)nc2c1 16903879 BHHBECBXQQZRFQ-UHFFFAOYSA-N 282.343 3.767 0 40 CHAB COc1cccc(CN(C)[C@@H](C)c2cccc(OC)c2)c1 72277122 TZNZQFRVGHTXTG-AWEZNQCLSA-N 285.387 3.897 0 40 CHAB Cc1cccc2[nH]c3c(N4C[C@@H](C)C[C@@H](C)C4)ncnc3c12 18183224 GZLZIFHKCXYDCJ-TXEJJXNPSA-N 294.402 3.902 0 40 CHAB Cc1ccc([C@H](C)N[C@@H](CO)c2ccc(Cl)cc2)o1 89210636 WJHLALOATKLEGC-FZMZJTMJSA-N 279.767 3.626 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cncc2ccccc12 89764867 NXLMZNXJBVBKJM-GFCCVEGCSA-N 252.317 3.530 0 40 CHAB CC(C)c1ccc(OCC(=O)N(C)C2CCCC2)cc1 22516562 FPMQYXXTJMCSFO-UHFFFAOYSA-N 275.392 3.590 0 40 CHAB CC(C)N1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 409062040 MHJRVGBVJCLMJU-AWTKBBGNSA-N 273.357 3.688 0 40 CHAB Cc1ccccc1C(=O)N1CC[C@@H](c2ccccc2)C1 38566875 JETVHWZLFBSBDS-MRXNPFEDSA-N 265.356 3.625 0 40 CHAB Cc1cccc(CNC(=O)c2cc(Cl)ccc2F)c1 31107803 UBRVMCMQSUYRLU-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB CSc1ccc(NC(=O)Nc2cc(C)ccn2)cc1 37868602 OYDMDQQQNDFMEE-UHFFFAOYSA-N 273.361 3.756 0 40 CHAB in-vitro COc1ccc(SCc2csc(C)n2)cc1OC 77495632 SMRGEJCUVFWZKJ-UHFFFAOYSA-N 281.402 3.761 0 40 CHAB C1=CC2(CCNCC2)Oc2ccc(-c3ccccc3)cc21 36141482 IGCDWFRDQGEJPQ-UHFFFAOYSA-N 277.367 3.881 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 72414091 CPFGKNKBGHZQGA-UHFFFAOYSA-N 291.354 3.686 0 40 CHAB Cc1ccc(Nc2cc(N)nc(C3CC3)n2)cc1Cl 49467618 HPOJBBJQWKTNHV-UHFFFAOYSA-N 274.755 3.642 0 40 CHAB Cc1cc(CNC(=O)c2ccc(F)cc2Cl)c(C)o1 70640370 IQAINBXXLJJEQY-UHFFFAOYSA-N 281.714 3.619 0 40 CHAB C[C@H]1SCCN(C(=O)Nc2ccc3[nH]ccc3c2)[C@@H]1C 89920024 SXWIXQYZKHOXEZ-GHMZBOCLSA-N 289.404 3.526 0 40 CHAB CCc1ccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225043710 HHZADFYKTMNSDE-GOSISDBHSA-N 298.382 3.941 0 40 CHAB CC[C@H](C)C(=O)c1ccc(Br)cc1C 229251014 MBLPAOOULDFURU-QMMMGPOBSA-N 255.155 3.986 0 40 CHAB Cn1c(-c2cc(C(F)(F)F)ccc2Cl)n[nH]c1=S 228925454 WBHQMLURAYZNTP-UHFFFAOYSA-N 293.701 3.817 0 40 CHAB COc1ccc(NC(=O)C2(C)CCCC2)c2ncccc12 96184299 LQYQDYZZQAFDDV-UHFFFAOYSA-N 284.359 3.762 0 40 CHAB c1csc([C@H]2CCCN(c3nccc4occc34)C2)n1 95994715 GFIZXLNUGXIHCU-NSHDSACASA-N 285.372 3.668 0 40 CHAB O=C1CCCc2nc(-c3ccc(Cl)cc3)sc21 50329653 XXCCTQYLMPIBBY-UHFFFAOYSA-N 263.749 3.983 0 40 CHAB in-vitro CC(=O)Nc1ccc(NCc2ccc(C)cc2C)cc1 19885755 NMJJUPCYELETQU-UHFFFAOYSA-N 268.360 3.874 0 40 CHAB O=C(O)c1ccccc1Nc1ccnc2ccc(F)cc12 40784765 YDJYDKLPQZRNDJ-UHFFFAOYSA-N 282.274 3.816 0 40 CHAB C[C@@H](NCc1csc([C@H]2CCCO2)n1)c1ccccc1 97230625 QYGZJYLBWIKXPZ-IUODEOHRSA-N 288.416 3.845 0 40 CHAB O=C(/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12 341045 YSNGDZDGGGVGHU-ZHACJKMWSA-N 290.366 3.540 0 40 CHAB C[C@@H](C(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 12117363 BLYKNJLJNIZZOL-OAHLLOKOSA-N 294.398 3.591 0 40 CHAB CC1(C)CN(Cc2ccccc2)CCN1Cc1ccccc1 19366427 KROYEDGOMOKSBK-UHFFFAOYSA-N 294.442 3.783 0 40 CHAB Cc1nc2ccc(NC(=O)CC(C)(C)C)cc2s1 2628414 UCUVJFLXKZELQD-UHFFFAOYSA-N 262.378 3.979 0 40 CHAB Cc1cc(-c2csc(-c3cccnc3)n2)c(C)n1C 3347406 WZPHSMJKXKZKBG-UHFFFAOYSA-N 269.373 3.827 0 40 CHAB CC(C)[C@@H](NC(=O)NC1CCCC1)c1ccccc1 10036176 XHAKVWNTLXVQHF-OAHLLOKOSA-N 260.381 3.626 0 40 CHAB FC(F)(F)c1cccc(NCc2cn3ccccc3n2)c1 809966 RZCWSNGMCTYNQG-UHFFFAOYSA-N 291.276 3.965 0 40 CHAB CSCCC(=O)c1ccc(OC(F)(F)F)c(F)c1 575361292 WVSRHEJOAAVBAK-UHFFFAOYSA-N 282.258 3.660 0 40 CHAB COC(=O)c1cccc(C(=O)CCC2CCCC2)c1 575362475 PCUXRRHJQYVDDM-UHFFFAOYSA-N 260.333 3.626 0 40 CHAB CCOCc1ccccc1NC(=O)N[C@@H](C)c1ccccn1 52468552 VDUNKRRPVOMWAJ-ZDUSSCGKSA-N 299.374 3.501 0 40 CHAB CSc1ncccc1C(=O)Nc1ccc(Cl)cc1 515957 ULWMKXPCRRFGQG-UHFFFAOYSA-N 278.764 3.709 0 40 CHAB Cc1ccc2[nH]c3c(N4CCC[C@@H](C)C4)ncnc3c2c1 501587 OQXPUDOARLYDPL-GFCCVEGCSA-N 280.375 3.656 0 40 CHAB CC(=O)c1cn(CCOc2ccccc2)c2ccccc12 807310 QRYRBHZLYIVBNQ-UHFFFAOYSA-N 279.339 3.923 0 40 CHAB CCOc1cccc(CO)c1OCc1ccc(Cl)cc1 498810 POMKKSXYWTWPON-UHFFFAOYSA-N 292.762 3.810 0 40 CHAB CC(C)CS(=O)(=O)C(c1ccccc1)c1ccccc1 1665711 AHZDDUHLOGQXHA-UHFFFAOYSA-N 288.412 3.847 0 40 CHAB CCOc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 7639357 LIBDXXTUXRQDJF-UHFFFAOYSA-N 277.270 3.616 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1ccccn1 26186590 CBXPDWNHIGNCKV-UONOGXRCSA-N 283.375 3.511 0 40 CHAB CC[C@H](C)n1c(C(F)(F)F)nc2cc(N)ccc21 52842027 LSLNUBCKZZOIQB-ZETCQYMHSA-N 257.259 3.608 0 40 CHAB CC(C)COc1ccccc1CN(C)C(=O)c1ccoc1 55342696 YTFFGBMFTABZPQ-UHFFFAOYSA-N 287.359 3.587 0 40 CHAB Clc1ccc(-c2n[nH]c(-c3cccs3)n2)cc1 50200542 RCSIHBRSTIQNAY-UHFFFAOYSA-N 261.737 3.854 0 40 CHAB C[C@@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccccn1 86339995 RHBMPILTYFOJOF-CHWSQXEVSA-N 299.374 3.671 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102593424 KHRSAXBMJLFWDF-OUJBWJOFSA-N 294.192 3.824 0 40 CHAB CC(C)CC(=O)NCCc1csc(-c2ccccc2)n1 28288596 ZOWOESRGEAORMA-UHFFFAOYSA-N 288.416 3.515 0 40 CHAB NCc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 22145026 URAHAZXXXLKJGX-UHFFFAOYSA-N 276.339 3.551 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)N(C)Cc1ccccc1 29485445 ISVVSXDNBSGUTJ-UHFFFAOYSA-N 278.355 3.749 0 40 CHAB O=C(CCc1ccc(F)cc1)c1cc(F)cc(F)c1 2517413 FOCNQOCPHKBMAB-UHFFFAOYSA-N 264.246 3.919 0 40 CHAB COc1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1 2650610 SDIRQGQMVVZLDG-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(C)c(C)s2)C1(C)C 24541718 RBPJHZRHEPDCCT-NEPJUHHUSA-N 278.421 3.937 0 40 CHAB Cc1ccc(C(=O)OCc2nc3ccccc3s2)o1 3509073 KHZCYZBFBVODOS-UHFFFAOYSA-N 273.313 3.555 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2ccc(C)s2)cc1C 12986905 LABFKXRVBJIRSS-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB FC(F)(F)c1cccc(Nc2cc(Cl)ncn2)c1 48631144 PWQVXSLCVWMYTA-UHFFFAOYSA-N 273.645 3.892 0 40 CHAB Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)c(C)c1 38566908 JFTQWXSPMBIKIE-KRWDZBQOSA-N 279.383 3.933 0 40 CHAB CC[C@H](CO)NCc1ccc2c(c1)c1ccccc1n2CC 4942790 GMDMEZBPLAVYCY-OAHLLOKOSA-N 296.414 3.675 0 40 CHAB Cc1ccc(NC(=O)c2cc(F)cc(F)c2)c(F)c1 15313826 BKBAGZBQUDUYKC-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB CSCc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1 21875605 WPIXYKQRFYSUGQ-WFASDCNBSA-N 277.433 3.858 0 40 CHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(C)(C)C 60111107 VTXOPRODBKZGJW-CYBMUJFWSA-N 261.409 3.905 0 40 CHAB CCSc1nnc(-c2ccccc2)n1CC(C)C 409094035 CRGCPTHSOAGMGB-UHFFFAOYSA-N 261.394 3.713 0 40 CHAB CC[C@H](C)Nc1ncccc1[C@H]1CCCCN1CC 72213424 XBZOOGRKJNEXNL-DZGCQCFKSA-N 261.413 3.839 0 40 CHAB Cc1ccc(CCNC(=O)c2ccc(-c3ccco3)o2)cc1 72243270 UXYNWFPJINVPPA-UHFFFAOYSA-N 295.338 3.821 0 40 CHAB Cc1nc(C(C)C)ncc1-c1nnc(-c2ccc(F)cc2)o1 216605078 ZTEPZRZHEHNNRN-UHFFFAOYSA-N 298.321 3.765 0 40 CHAB CCCOCc1cc(C(=O)N[C@@H](C)CCC)ccc1OC 224418496 LHJCNAISNMEPGX-ZDUSSCGKSA-N 293.407 3.540 0 40 CHAB CCNc1ccc2nc(-c3ccc(OC)c(OC)c3)oc2c1 226284353 UIOATJJCWDBPGT-UHFFFAOYSA-N 298.342 3.944 0 40 CHAB COc1cccc(OC)c1CCC(=O)Nc1ccc(C)cc1 225993898 MNFCNRIZDULCBY-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB CC[C@H](C)c1ccc(OCCC2CCNCC2)cc1 42773211 ZLCKKPQVNHWYOH-AWEZNQCLSA-N 261.409 3.969 0 40 CHAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1 225605305 JABFENUZLBJFJV-KRWDZBQOSA-N 293.407 3.864 0 40 CHAB CCc1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1 85423470 BEWRKDYEYYOAOY-ZDUSSCGKSA-N 253.345 3.991 0 40 CHAB CCCN1C(=O)C(C)=C(C)[C@@H]1N[C@H]1CCCc2ccccc21 95483072 QFLGGFHQRAPBEC-ZWKOTPCHSA-N 298.430 3.568 0 40 CHAB CCOc1ccc2ccccc2c1C(=O)C(F)(F)F 95727223 XIOMLQUDXUOZNN-UHFFFAOYSA-N 268.234 3.984 0 40 CHAB Cc1c(F)cccc1[C@H](O)c1ccc(Br)cc1 95730360 DDWOURMCXPNJPC-CQSZACIVSA-N 295.151 3.978 0 40 CHAB CC(C)C(=O)c1cccc2[nH]cc(Br)c12 96509802 GANNJBJRCNZPDG-UHFFFAOYSA-N 266.138 3.769 0 40 CHAB O=C(Cc1ccsc1)NCc1ccc(-c2ccoc2)cc1 390830853 NWOTUYPFEGLSPK-UHFFFAOYSA-N 297.379 3.867 0 40 CHAB C[C@H]1CC2(CCC(=O)CC2)CCN1C(=O)OC(C)(C)C 1083104409 YZPSPDVJIGHRSL-LBPRGKRZSA-N 281.396 3.535 0 40 CHAB Nc1ccc(Cl)cc1-c1n[nH]c(C2CCCCC2)n1 41161687 GPMLMYMESLCJOI-UHFFFAOYSA-N 276.771 3.755 0 40 CHAB C[C@H](NCc1ccc(Oc2ccccc2)o1)[C@@H]1CCOC1 96500130 UJIQJUPLJAYXKB-UONOGXRCSA-N 287.359 3.587 0 40 CHAB Cc1noc(C(=O)Nc2ccc(F)c(Cl)c2)c1Cl 5006932 IFFMMOZQOFTFJC-UHFFFAOYSA-N 289.093 3.681 0 40 CHAB O=C(O)[C@H](NC1CCCCC1)C12CC3CC(CC(C3)C1)C2 5258368 SIRUTLOZYMOSPN-IEKYFPHUSA-N 291.435 3.578 0 40 CHAB CCOP(=O)(CNc1c(C)cccc1C)OCC 5657105 UYEPBSBQHKAKSQ-UHFFFAOYSA-N 271.297 3.939 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(C)cc1 5683734 PCVORMWCOXVSHT-GOSISDBHSA-N 292.382 3.720 0 40 CHAB Cc1ccc(N[C@H](SCC(=O)O)c2ccccc2)cc1 16758438 ONQAWUYQLMYPAE-MRXNPFEDSA-N 287.384 3.924 0 40 CHAB CC(=O)Nc1ccc(Nc2cc(C3CCC3)nc(C)n2)cc1 1888930440 DCRWVWIYNVPLAG-UHFFFAOYSA-N 296.374 3.755 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2)c1 128627 UWHKSSVUYNPWED-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CCCCOCCOCCN(CCCC)CCCC 5419510 AQFNSYRAIWFZNU-UHFFFAOYSA-N 273.461 3.722 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)o1)[C@@H]1CC=CCC1 575611389 UZKVGIDAVQLJTP-GFCCVEGCSA-N 271.316 3.512 0 40 CHAB O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)on1 41436773 CUEWICQMXPNFNX-UHFFFAOYSA-N 281.267 3.832 0 40 CHAB CC[C@@H](C)c1ccccc1OCC(=O)n1nc(C)cc1C 1298206 HBRDQKWQESNDSQ-GFCCVEGCSA-N 286.375 3.733 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cccc(F)c1 20081909 FQFZGFYGCVKNLK-KRWDZBQOSA-N 296.345 3.551 0 40 CHAB biogenic,in-vitro Cc1ccnc(NC(=O)c2ccc(CSC(F)F)o2)c1 30557042 OFFYCTHOXZKVBV-UHFFFAOYSA-N 298.314 3.691 0 40 CHAB Cc1cccc(NC(=O)[C@]23CC[C@@H](C2)C(C)(C)C3=O)c1C 100868058 XEPJQAGHALCPFL-SCLBCKFNSA-N 285.387 3.637 0 40 CHAB Cc1csc(NCC(=O)c2c(C)[nH]c3ccccc23)n1 499502 HVRGECWKFHFVHP-UHFFFAOYSA-N 285.372 3.536 0 40 CHAB CCCn1nc(NC(=O)CC)c2cc3ccc(C)cc3nc21 532721 LJWOOAOKHRAREU-UHFFFAOYSA-N 296.374 3.651 0 40 CHAB Cc1c(C)n(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc12 141063 OFXQREMYPSIDPX-UHFFFAOYSA-N 294.276 3.655 0 40 CHAB Cc1ccc(C)c(C(=O)Cc2cc3ccccc3oc2=O)c1 216797 JRIZXZBHNMPTJI-UHFFFAOYSA-N 292.334 3.835 0 40 CHAB FC(F)(F)c1cccc(Oc2ncnc3c2CCC3)c1 76919764 MYLQVJQIAFJHGN-UHFFFAOYSA-N 280.249 3.776 0 40 CHAB Cc1cnc(COc2ccccc2C(=O)OC(C)(C)C)o1 97102076 HNICKDWDISCSDN-UHFFFAOYSA-N 289.331 3.517 0 40 CHAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)sc1C 79000852 LKSBRFJGGKGOAY-QWHCGFSZSA-N 283.462 3.769 0 40 CHAB CCCCn1c([C@@H](C)NC(=O)CCC)nc2ccccc21 2601745 PXWYMLXFYNNBIO-CYBMUJFWSA-N 287.407 3.814 0 40 CHAB Cc1ccccc1C1=N/C(=C\c2ccccc2Cl)C(=O)O1 4714045 XNQSLVDNPGEYPO-GDNBJRDFSA-N 297.741 3.993 0 40 CHAB O[C@H](Cc1nc2ccccc2o1)c1ccc(Cl)cc1 1276117 PTERJSHIDICYIX-CYBMUJFWSA-N 273.719 3.757 0 40 CHAB CCCCN1CCC[C@@H]1c1cc(OC)ccc1OC 57621209 YUEUWBBCKUTPEO-OAHLLOKOSA-N 263.381 3.641 0 40 CHAB CCCn1ccnc1SCCO[C@@H]1CCCC[C@@H]1C 58171626 JDWPTFCGAXDSOC-UONOGXRCSA-N 282.453 3.981 0 40 CHAB CCOCCCNCc1c(OCC)ccc2ccccc12 2178141 VQBZBYSFKHQTHQ-UHFFFAOYSA-N 287.403 3.755 0 40 CHAB Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 3349647 HEUNFONYAYWWNS-UHFFFAOYSA-N 292.713 3.988 0 40 CHAB O=C(c1ccc(F)cc1)N(Cc1cccs1)C1CC1 37983593 IDNBZBIJXVIDJP-UHFFFAOYSA-N 275.348 3.692 0 40 CHAB CC(C)Oc1ccccc1NC(=O)Nc1ccccn1 48346809 XCGZRJPCZNLTDM-UHFFFAOYSA-N 271.320 3.513 0 40 CHAB CSCc1nnc(SCc2ccccc2C)o1 48396481 CKVSXQORTGGLDG-UHFFFAOYSA-N 266.391 3.533 0 40 CHAB Cc1cc(NC(=O)[C@@H]2CC=CCC2)ccc1N1CCCC1 11324796 CAVVYKPZVONMBF-OAHLLOKOSA-N 284.403 3.890 0 40 CHAB Cc1ccc2nc(C)cc(C(=O)Nc3nccs3)c2c1 3454116 PAOOIGSEYOASMY-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB COCc1ccccc1NC(=O)C[C@H](C)c1ccccc1 46932393 RPASOHPVFFKICO-AWEZNQCLSA-N 283.371 3.965 0 40 CHAB Cc1cc(C(=O)NC2CCC(C(F)(F)F)CC2)c(C)o1 13016896 UCNLXBWDKNAXRE-UHFFFAOYSA-N 289.297 3.747 0 40 CHAB CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 13746254 HNGYYWWRCDYVCY-OLZOCXBDSA-N 262.397 3.969 0 40 CHAB CC(=O)Nc1ccc(Br)cc1C(C)(C)C 5383177 WVWHIVSMSZPEAP-UHFFFAOYSA-N 270.170 3.705 0 40 CHAB COc1ccccc1Cc1nnc(SC2CCCC2)o1 66257894 YWGUGUPRVJCZPT-UHFFFAOYSA-N 290.388 3.704 0 40 CHAB CCC[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 5680674 UVUVSZPNCSZGFO-SFHVURJKSA-N 297.398 3.895 0 40 CHAB COc1cc(NCc2ccco2)ccc1Br 80236780 XVAXZMOXDGFREF-UHFFFAOYSA-N 282.137 3.663 0 40 CHAB CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2)cc1 7240339 KWDAJROGCHRSRG-ZDUSSCGKSA-N 268.360 3.688 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=S)Nc1cccc(F)c1 7558640 KYVXLZGKGLCEAG-GWCFXTLKSA-N 266.385 3.691 0 40 CHAB COC[C@H](C)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1 7763422 SUMJWYUZBPELCH-QMMMGPOBSA-N 298.358 3.844 0 40 CHAB CCSc1ccc([C@H](C)NC2CCOCC2)cc1 95421781 CFXCNGFCHNLBFQ-LBPRGKRZSA-N 265.422 3.628 0 40 CHAB CCCCCc1ccc(NC(=O)Cc2c(C)n[nH]c2C)cc1 8185341 QUSCGVZWPVRZJA-UHFFFAOYSA-N 299.418 3.940 0 40 CHAB c1cnc(Oc2ccc(C3SCCS3)cc2)nc1 69532827 SLDFCZKVULSAFJ-UHFFFAOYSA-N 276.386 3.748 0 40 CHAB Cc1ccc(/C=C/C(=O)NCCSC(C)(C)C)cc1 409409568 IDSFJELBXDXNBW-MDZDMXLPSA-N 277.433 3.656 0 40 CHAB N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1 31871545 ORUVNCNNXWPLIQ-UHFFFAOYSA-N 298.729 3.818 0 40 CHAB CC[C@H](O)c1ccc(N2CCc3ccccc32)nc1C 72224987 ACGHYFFLYRNEAF-INIZCTEOSA-N 268.360 3.528 0 40 CHAB COc1ccc(NC(=S)Nc2cccc(F)c2)cc1F 71325899 SXPXCPNFTJULQU-UHFFFAOYSA-N 294.326 3.782 0 40 CHAB Cc1ccc(C)c(C(=O)N2c3ccccc3C[C@@H]2C)c1 36697892 ROAOYQLBEAVCLO-AWEZNQCLSA-N 265.356 3.895 0 40 CHAB CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225539646 XZDWOPZTLGVVOI-CYBMUJFWSA-N 289.419 3.638 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 44847887 SLUUZVZJUXVVRO-SUMWQHHRSA-N 285.387 3.912 0 40 CHAB Cn1c(C(=O)NCc2ccccc2)c(Cl)c2ccccc21 40142873 UZWGAEXERKVXBT-UHFFFAOYSA-N 298.773 3.762 0 40 CHAB Nc1cc(Nc2ccccc2F)nc(-c2ccc(F)cc2)n1 49467930 RWHSNTJREIQKEL-UHFFFAOYSA-N 298.296 3.748 0 40 CHAB Cc1ccc([C@@H](C)NC(=S)Nc2cccnc2)c(C)c1 225479225 RZTPHIUBYPKFBP-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB Oc1ccc(OCCCC(F)(F)C(F)(F)F)cc1 98210645 HEXMIUKJOMVBAJ-UHFFFAOYSA-N 270.197 3.749 0 40 CHAB CC[C@@H](NCc1nccn1CC(C)C)c1ccc(F)cc1 96478403 CLKXEWRLTMEUPB-MRXNPFEDSA-N 289.398 3.919 0 40 CHAB COc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 91695450 IKGUMVAHWJLGEO-UHFFFAOYSA-N 296.292 3.842 0 40 CHAB Cc1ccc(CSCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 251502385 XCJISQTZOUBOJQ-JYJNAYRXSA-N 289.444 3.533 0 40 CHAB COc1cc(C(=O)c2cc(F)cc(Cl)c2)ccc1F 95916216 DJSWEUNPSQGFET-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB Cc1nccc(-c2cccc(NCc3c(C)noc3C)c2)n1 36764388 KZNUTKNFLLIBTN-UHFFFAOYSA-N 294.358 3.669 0 40 CHAB C[C@H](NC(=O)C(C)(C)C)c1ccc(OC(F)(F)F)cc1 40074331 HCMAPLVQSWUYSI-VIFPVBQESA-N 289.297 3.809 0 40 CHAB CCCOc1ccc(C(=O)Nc2cccc(F)c2)cc1 5864680 IANSYGMBKVXAKF-UHFFFAOYSA-N 273.307 3.867 0 40 CHAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN2CC(C)C)c(C)c1 5697534 SHQXUKQYDKBFSW-INIZCTEOSA-N 288.435 3.671 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)c1 13710398 GGPNWWGFEZRDIS-HNNXBMFYSA-N 291.435 3.868 0 40 CHAB CN1CCC([C@@H]2c3ccccc3CCc3cccnc32)CC1 13775750 URXVQALXMZGZCV-LJQANCHMSA-N 292.426 3.654 0 40 CHAB CCCCCCNC(=O)N1CCC[C@H]2CCCC[C@@H]21 16637956 FUIBNSFIKHECCW-CABCVRRESA-N 266.429 3.931 0 40 CHAB C[C@]12CC[C@@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@H]2O 4428376 NLLMJANWPUQQTA-DKIMLUQUSA-N 270.372 3.529 0 40 CHAB biogenic O=C(NCc1cccs1)C1(c2cccc(F)c2)CCC1 25362889 BCTFSVJEKYOLKD-UHFFFAOYSA-N 289.375 3.625 0 40 CHAB Cc1ccc(SCCC(=O)Nc2nccs2)cc1 4496527 UMWSEBGKXCZPTR-UHFFFAOYSA-N 278.402 3.572 0 40 CHAB Cc1cc(C)cc(OCC(=O)Nc2cccc(C)c2C)c1 128697 NBNVGMKENVKYHJ-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 246015 UTLJGBYDUIOYNG-UHFFFAOYSA-N 297.141 3.534 0 40 CHAB in-vitro Cc1nn(C(C)C)c2[nH]c(-c3ccc(F)cc3F)nc12 20864951 YLPFRSXXIHKSHX-UHFFFAOYSA-N 276.290 3.594 0 40 CHAB O=C(c1ccccc1)C1CCN(C(=O)C2CCCCC2)CC1 32876331 FSCVHKCXGMBNJO-UHFFFAOYSA-N 299.414 3.688 0 40 CHAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc1C 103149163 YLMYQOXLBCWUBR-DOERSZECSA-N 277.433 3.919 0 40 CHAB Cc1ccc(-n2nc(C(=O)O)c3c2[C@H]2CC[C@H]3C2(C)C)cc1 103180782 OZHAOMIMPFSZPC-CHWSQXEVSA-N 296.370 3.880 0 40 CHAB Cc1cccc(NC(=O)CSc2ccc(Cl)cc2)n1 570240 BNODWHBLFOAKPN-UHFFFAOYSA-N 292.791 3.774 0 40 CHAB CC1(C)[C@@H](C(=O)NCc2ccccc2)[C@@H]1C=C(Cl)Cl 42002 VGEGJYBLUKXPBR-WCQYABFASA-N 298.213 3.894 0 40 CHAB CC(=O)c1csc(-c2cc(Cl)nc(Cl)c2)n1 166878 XBPSTGVEXSRONQ-UHFFFAOYSA-N 273.144 3.715 0 40 CHAB CC1=CC[C@H](c2nnco2)[C@H](c2ccc(F)cc2)C1 209422 WSBISMJIGTYEBD-KBPBESRZSA-N 258.296 3.816 0 40 CHAB CC(=O)c1ccc(OCC(C)C)c(CN2CCCCC2)c1 215819 LMRUDBLCJABGKV-UHFFFAOYSA-N 289.419 3.910 0 40 CHAB C[C@@H](C[C@H](C)C(=O)Nc1ccccc1C(C)(C)C)C(=O)O 345914 WKPLLVBUQQDINJ-RYUDHWBXSA-N 291.391 3.670 0 40 CHAB Cc1cc2oc(=O)c3c(c2c2c1CCC(C)(C)O2)CCC3 490192 MPKRFUBFMATPBV-UHFFFAOYSA-N 284.355 3.694 0 40 CHAB biogenic Clc1ccc(-c2nnc3n2CCCCC3)cc1Cl 1390845 AFRGNIDHOWKOTB-UHFFFAOYSA-N 282.174 3.978 0 40 CHAB CNc1nc(Sc2ccccc2)cc(C(F)(F)F)n1 1396766 MLVFPVIOWVSFJH-UHFFFAOYSA-N 285.294 3.688 0 40 CHAB Cc1cc(CNC(=O)C2CCCCC2)c2ccccc2n1 1423673 LWFAGCJNHZMUBU-UHFFFAOYSA-N 282.387 3.740 0 40 CHAB O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1 1590441 STTHLCZHQOYIBN-UHFFFAOYSA-N 294.181 3.966 0 40 CHAB CCCCCOc1ccc2c(C)cc(=O)oc2c1C(C)=O 2363565 ZJADZYOKGYLQNP-UHFFFAOYSA-N 288.343 3.873 0 40 CHAB biogenic COc1cccc(Oc2ncnc3sc4c(c23)CCC4)c1 3295199 NSJLNVNRLUBIEI-UHFFFAOYSA-N 298.367 3.981 0 40 CHAB CC(C)(C)n1cnc2cc(NCc3ccco3)ccc21 4384593 QTWCJQKMXPPQDT-UHFFFAOYSA-N 269.348 3.996 0 40 CHAB CC[C@@](C)(O)/C=C1/Oc2ccccc2[C@@H]1N1CCCCC1 4653777 CAERQMOSJKWWFL-SHJQCXLZSA-N 287.403 3.651 0 40 CHAB O=[S@](Nc1ccccc1Br)c1ccccc1 4958235 QMTXSFHWYYBIPU-MRXNPFEDSA-N 296.189 3.584 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 5516172 XPUOGIJHXLUSOJ-UHFFFAOYSA-N 289.400 3.919 0 40 CHAB Cc1ccc(SCCNC(=O)c2ccc(C)cc2)cc1 5543584 YMVNAUBMYOZGMO-UHFFFAOYSA-N 285.412 3.826 0 40 CHAB CC[C@H](C)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 6086191 LAOPKIBFBFCZPG-JTQLQIEISA-N 289.404 3.979 0 40 CHAB CCN(CC)C[C@@H](C)OC(=O)Nc1ccccc1Cl 6382397 MEBCUKJNZWTARW-LLVKDONJSA-N 284.787 3.619 0 40 CHAB Cc1cc(C)cc(N[C@H](C)C(=O)Nc2nc(C)cs2)c1 7460288 DLRVAMGRTHNGTR-GFCCVEGCSA-N 289.404 3.507 0 40 CHAB CC(C)c1ccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc1 9188942 QOFHQLDEVVBGJQ-STQMWFEESA-N 277.433 3.595 0 40 CHAB Cc1ccnc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 9338930 ZMXZPERWCHWHJM-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB COc1cccc(NC(=O)c2ccc(Cl)cc2OC)c1 10149132 AUVDNTZKLBFXSG-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB Cc1cc(CSCC(=O)Nc2ccccc2Cl)on1 12592181 WQUPHJOUNLSQOM-UHFFFAOYSA-N 296.779 3.508 0 40 CHAB O=c1oc(-c2ccccc2Cl)nc2sccc12 12619543 HHWAMBOJTQQGPE-UHFFFAOYSA-N 263.705 3.570 0 40 CHAB CC[C@H](NC(=O)Cc1ccc(C)cc1)c1ccc(OC)cc1 12767546 YRGAMLDLFCAVQK-SFHVURJKSA-N 297.398 3.814 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)c1ccc2ccccc2n1 13007476 SMJWFGSJRTTYBP-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB Oc1ccc(-c2cccc(-c3ccc(O)cc3)n2)cc1 13126775 OFPOICCBUABQMM-UHFFFAOYSA-N 263.296 3.827 0 40 CHAB O=c1cc(CSc2ccccc2)nc(-c2ccccc2)[nH]1 15986901 SRNHSNKVWUNTHL-UHFFFAOYSA-N 294.379 3.729 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(OC(C)C)cc2)cc1 20492634 DXZLHXOXDVBUHO-UHFFFAOYSA-N 283.371 3.963 0 40 CHAB Cc1ccc(NC(=O)c2csc3c2CCCC3)nc1 21877125 FTECEHOJDKIMCL-UHFFFAOYSA-N 272.373 3.583 0 40 CHAB Brc1ccc(C2=CCC3(CC2)OCCO3)cc1 21989445 OWDXWFQOWJGTRP-UHFFFAOYSA-N 295.176 3.760 0 40 CHAB Cc1ccccc1[C@H](OCCNCl)c1ccccc1 22054731 SLDYVEHGFAQANJ-MRXNPFEDSA-N 275.779 3.844 0 40 CHAB in-vitro O=C(Cc1cccs1)Nc1ccc(N2CCCC2)cc1 31466510 RGXYRKHUMMKVJI-UHFFFAOYSA-N 286.400 3.530 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(-c2nc3cnccc3o2)c1 32094420 FCRRXBDPNINHOK-UHFFFAOYSA-N 295.342 3.874 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(C)c2)c1C 32753706 QIIRXZRYRMWVPX-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB Cc1cc(NCc2cccs2)n2c(n1)nc1ccccc12 35311009 OTQZQSSIJYRLGB-UHFFFAOYSA-N 294.383 3.865 0 40 CHAB O=C(NCc1cc(F)cc(F)c1)Nc1ccccc1Cl 44845532 VDQBGMFWCLWGDM-UHFFFAOYSA-N 296.704 3.940 0 40 CHAB CCC1CCC(CNC(=O)Cc2cccc(OC)c2)CC1 66026395 UQKFOASEDYBDGY-UHFFFAOYSA-N 289.419 3.570 0 40 CHAB Cc1ccc(C(=O)c2c(F)cccc2F)cc1F 70210346 RASOJMLCHGTKFO-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CCCCNc1ncccc1[C@H]1CCCN1C(C)C 72213598 QUBWBFPNQFCHPG-OAHLLOKOSA-N 261.413 3.839 0 40 CHAB COc1cccc([C@H](C)SC2=NCCS2)c1 83595031 ILNFSHNTKNYFOH-VIFPVBQESA-N 253.392 3.592 0 40 CHAB CO[C@@H](C(=O)Nc1ccc(C(C)=O)c(C)c1)c1ccccc1 89409901 DLYPOMMJGPQJKM-QGZVFWFLSA-N 297.354 3.524 0 40 CHAB Cc1nnc([C@@H](C)N[C@@H](CC(C)C)c2cccs2)o1 97373829 HKHBWAMOBRROTD-PWSUYJOCSA-N 279.409 3.878 0 40 CHAB O=C1[C@@H](c2ccccc2)[C@H]2CC[C@@H](O2)[C@H]1c1ccccc1 104926537 NCLNSCDVGHOETK-TVFCKZIOSA-N 278.351 3.684 0 40 CHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1CCCCC1 224417256 OYGVBSABHGTYSU-GFCCVEGCSA-N 295.810 3.804 0 40 CHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2)cc1C 224968163 NWNFASYNWPHJFA-HNNXBMFYSA-N 297.398 3.814 0 40 CHAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)C(C)C)cc1 225230163 COZWPUVUBSFFDW-XJKSGUPXSA-N 277.408 3.567 0 40 CHAB CC(C)CNC(=O)CCc1c(Cl)cccc1Cl 225342839 AJHKKTCGQKITPA-UHFFFAOYSA-N 274.191 3.698 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)c(C)c1 225893649 QWEFMNQSDMSKHM-UHFFFAOYSA-N 293.370 3.751 0 40 CHAB CCNc1ccc(NC(=O)c2cccs2)c(C)c1 226285520 XDZFPKUXPIVKLK-UHFFFAOYSA-N 260.362 3.741 0 40 CHAB C[C@@H](N)COc1c(F)cccc1Oc1cccc(Cl)c1 257200716 AEPQKXRTQUTLIP-SNVBAGLBSA-N 295.741 3.997 0 40 CHAB O=Cc1cc(Br)c(Cl)cc1Cl 307272924 GVXNZEOOJQBXKS-UHFFFAOYSA-N 253.910 3.568 0 40 CHAB CCc1ccccc1C(=O)COCc1ccccc1 382676890 VPXKYQRRGPFGRL-UHFFFAOYSA-N 254.329 3.649 0 40 CHAB CCn1c(SC(=O)c2ccccc2)nc2ccccc21 408692637 RHJUITCQVVDBTG-UHFFFAOYSA-N 282.368 3.989 0 40 CHAB Cc1ccc(/C(=C\c2c(C)cccc2N)C(=O)O)cc1 952987859 YOMGYCUZZQWCCZ-XNTDXEJSSA-N 267.328 3.511 0 40 CHAB CCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2ccccc21 1889046136 QFNBQHJXUBOAOI-UHFFFAOYSA-N 291.350 3.561 0 40 CHAB Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1 12545005 HPQZTEVMVAVGJO-UHFFFAOYSA-N 276.339 3.724 0 40 CHAB CC[C@H](Cc1ccccc1)OC(=O)c1ccccc1C(=O)O 2036478 HHLZUHINSQUPHD-CQSZACIVSA-N 298.338 3.563 0 40 CHAB O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 3895072 VESXWSWSGQONHC-UHFFFAOYSA-N 276.424 3.587 0 40 CHAB in-vivo Cc1ccc(/C=C/C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)o1 105921776 GZIDGWCEDDCBQF-XPCGMWKZSA-N 273.376 3.542 0 40 CHAB Cc1ccc(NC(=O)OC[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 4795793 YOOYFLIJNWVWML-RDBSUJKOSA-N 257.333 3.756 0 40 CHAB COc1cccc(C[C@@H]2CCCc3ccccc3[C@H]2O)c1 43659845 IXZRDQTZBDQQAZ-LPHOPBHVSA-N 282.383 3.924 0 40 CHAB Cc1[nH]c2ccc(CNC(=O)C3CCCC3)cc2c1C 12744932 WGUGAXOHDABPRR-UHFFFAOYSA-N 270.376 3.591 0 40 CHAB Cc1nc2ccc(NC(=O)c3occc3C)cc2s1 12774415 HWLMQZZENDQCLF-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB Cc1cc(C)cc(NC(=O)CCOc2ccccc2F)c1 3346392 XBBJIOQQXSZROM-UHFFFAOYSA-N 287.334 3.850 0 40 CHAB C=CC(=O)Nc1ccc(Oc2ccccc2OC)cc1 36334771 UOKOABAEAFVFPN-UHFFFAOYSA-N 269.300 3.612 0 40 CHAB CC(C)Cc1nc(CN(Cc2ccccc2)C(C)C)no1 45943564 UOOPARFWVMMMCV-UHFFFAOYSA-N 287.407 3.679 0 40 CHAB Cc1ccc(C(=O)c2ccccc2CN2CC=CC2)c(C)c1 2515893 SCISTIREGHBJBO-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 13005237 NWIPCHUZRIEJAC-AWEZNQCLSA-N 295.382 3.890 0 40 CHAB O=P(O)(O)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 65475845 ZFFFHKYAHRMQJM-ZDUSSCGKSA-N 297.678 3.628 0 40 CHAB CC1(C)CCCN(c2ncnc3c2[nH]c2ccc(F)cc23)C1 4812109 BKCPOYAPRXVQHI-UHFFFAOYSA-N 298.365 3.877 0 40 CHAB C[C@H]1CCCN1C(=O)CCc1cccc(Cl)c1Cl 84697714 IAOLYBHUNCUBCS-JTQLQIEISA-N 286.202 3.937 0 40 CHAB CCC(CC)c1nnc(NC(=O)Cc2ccsc2)s1 7777547 HODUKHXLYBFWSX-UHFFFAOYSA-N 295.433 3.684 0 40 CHAB CCc1ccccc1NC(=O)c1ccc(F)cc1F 7724253 VBWPGYBDIZEOIX-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB OCc1ccc(Cl)c(NCc2cnc(Cl)s2)c1 84341333 WUKDFIVBCNRAIK-UHFFFAOYSA-N 289.187 3.554 0 40 CHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(F)cc2)cc1 8372294 JMFDECOPQYMWHG-LBPRGKRZSA-N 286.302 3.562 0 40 CHAB Cc1ccc(NC(=O)Cc2ccccc2Cl)c(F)c1 8855652 NHBIJAKLROBEJM-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB O=C(N[C@H]1CCCc2occc21)C1(c2ccccc2)CC1 84525088 RXSOPPZTVCCVPB-HNNXBMFYSA-N 281.355 3.505 0 40 CHAB CCc1ccc(CN[C@](C)(COC)c2ccccc2)cc1 95985809 XFQPOFXVIGSDRP-LJQANCHMSA-N 283.415 3.900 0 40 CHAB CCOC(=O)c1cc(C(F)(F)F)ccc1Cl 20168544 CQZVUPCGMGMCDD-UHFFFAOYSA-N 252.619 3.536 0 40 CHAB Cc1nc2cc(C(=O)NC3CCCCC3)ccc2s1 408980811 XWMBLDUJFSNVEA-UHFFFAOYSA-N 274.389 3.667 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC)cc1 30873339 IEQIFNJJNSABEP-CYBMUJFWSA-N 299.370 3.664 0 40 CHAB CC(C)N1CCC[C@@H]1c1cccnc1N1CCCCC1 72216101 RNPBKBCUWLXFSK-MRXNPFEDSA-N 273.424 3.617 0 40 CHAB CCCN1CCCC[C@H]1c1c(OC)cccc1OC 72221437 YFXGOEPGTDXKKS-ZDUSSCGKSA-N 263.381 3.641 0 40 CHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)C1CCCC1 44886344 JSGIFRPOSSTYLH-OAHLLOKOSA-N 295.810 3.898 0 40 CHAB Cc1cccc(NC(=S)NCCCc2ccco2)c1 225804127 GUGXEQKBJLSFLZ-UHFFFAOYSA-N 274.389 3.507 0 40 CHAB Fc1c(I)ccc2ccccc12 96171924 SWMWTRKWOARCIG-UHFFFAOYSA-N 272.060 3.584 0 40 CHAB CCOC(=O)c1cc(Cl)c(Cl)cc1Cl 82725111 DHDXXFMFLDHODO-UHFFFAOYSA-N 253.512 3.824 0 40 CHAB Clc1cnccc1N1CCC[C@H](c2nccs2)C1 95994717 XQOZLYZJIQQUIV-JTQLQIEISA-N 279.796 3.576 0 40 CHAB CCOC(=O)c1ccc2sc3ncnc(Cl)c3c2c1 97756601 MLUSFKDQHXJXAS-UHFFFAOYSA-N 292.747 3.675 0 40 CHAB COC(=O)[C@H](C)N1c2c(C)cccc2[C@H](C)CC1(C)C 260616123 FKQNIGZYANUMSA-OLZOCXBDSA-N 275.392 3.649 0 40 CHAB C=CC(=O)Nc1cc(NC(=O)c2cccc(C)c2)ccc1F 75107652 IVLUIVMGYFNFKB-UHFFFAOYSA-N 298.317 3.511 0 40 CHAB CCc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5557355 MASWUZXHPZQGDC-UHFFFAOYSA-N 283.415 3.948 0 40 CHAB Cc1cccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)c1 15217199 IWRNNCWDOYZRTJ-ONKXNFODSA-N 289.334 3.896 0 40 CHAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)C1CC1 11486997 PDNSEGWWONRPQZ-JXMROGBWSA-N 264.328 3.601 0 40 CHAB O=C(NCCc1ccc(F)cc1)c1cc(Cl)ccc1F 7953741 UGUKTWHQFOSAHI-UHFFFAOYSA-N 295.716 3.591 0 40 CHAB CCC(CC)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 4072407 YRGNPJLDUGPVLK-UHFFFAOYSA-N 293.367 3.719 0 40 CHAB Cc1c(C(=O)N[C@H](C)C2CC2)sc2ccccc12 32778016 ZVXXOTPJHBRVIN-SNVBAGLBSA-N 259.374 3.738 0 40 CHAB O=C(N[C@H]1CCSc2c(F)cccc21)[C@@H]1CC=CCC1 32837311 GZSIQZPAOXBNDY-RISCZKNCSA-N 291.391 3.835 0 40 CHAB CC[C@H](C)C(=O)N1CC[C@@H](C)Sc2ccccc21 32904019 XGLSQNLSRKYWDZ-NWDGAFQWSA-N 263.406 3.950 0 40 CHAB Cc1ccc([C@@]2(CC(=O)O)CCO[C@@H](C(C)C)C2)cc1 488608 ZSAAYPTYOKXXHF-WBVHZDCISA-N 276.376 3.543 0 40 CHAB biogenic CCc1noc(C)c1C(=O)Nc1cccc2c1CCCC2 22397146 WHBQINZZRVNXCP-UHFFFAOYSA-N 284.359 3.677 0 40 CHAB CCN(C(=O)CCc1ccccc1)C1CCCCC1 30782 XYLOYTBPTCNHGS-UHFFFAOYSA-N 259.393 3.800 0 40 CHAB COC(=O)c1ccc(-c2nc3ccc(C)cc3o2)cc1 235537 QHFPLQJQGDKMSF-UHFFFAOYSA-N 267.284 3.590 0 40 CHAB COc1cccc(CNC2=Nc3ccccc3CS2)c1 3052295 OAXYBUOUIBRUFV-UHFFFAOYSA-N 284.384 3.719 0 40 CHAB COc1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1 803403 ANTGCQXXVVWFCQ-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB O=C1C[C@@H]2[C@@H](CCC23OCCO3)c2ccc3ccccc3c21 1708672 ZMESGXPQBUTYGV-GOEBONIOSA-N 294.350 3.663 0 40 CHAB COc1ccc(Cl)cc1-c1n[nH]c(SC(C)C)n1 23673253 UVOUDGZFJNVITD-UHFFFAOYSA-N 283.784 3.634 0 40 CHAB c1ccc(-c2nn(-c3ccccc3)c3oncc23)cc1 6344738 AAHWLCJXKCVEAG-UHFFFAOYSA-N 261.284 3.681 0 40 CHAB O=C(Sc1nnc(Cc2ccccc2)o1)c1ccccc1 6529749 GIPXJUXZZYLBJJ-UHFFFAOYSA-N 296.351 3.593 0 40 CHAB CCc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 100759555 IHJPNIPCCNPMJQ-OALUTQOASA-N 299.414 3.973 0 40 CHAB Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2S1 12618384 YYIIAPWOEFURCW-HNNXBMFYSA-N 269.369 3.651 0 40 CHAB CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccccc1F 2087934 NDOKYXRHNHTOIC-ZDUSSCGKSA-N 290.271 3.860 0 40 CHAB COc1ccccc1NC(=O)N[C@H]1CCc2ccccc21 44845679 YKSSOPPTZHBLFB-AWEZNQCLSA-N 282.343 3.504 0 40 CHAB Cc1ccncc1C(=O)c1cccc(C(F)(F)F)c1 45028991 JPRTVLFSGZNGIM-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB Cc1noc(C)c1CN1CCC[C@H]1C1CCCCC1 58424162 LNSBVRQRTFXYFU-INIZCTEOSA-N 262.397 3.836 0 40 CHAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1 3370344 SQWSZDVBIYJYAI-NSHDSACASA-N 282.368 3.787 0 40 CHAB COC(=O)[C@]1(C)[C@]2(C)c3cccc4cccc(c34)[C@@]21C 100809531 LZCPNBGUKPUDNP-BCDXTJNWSA-N 266.340 3.562 0 40 CHAB O=C(Nc1ccccc1Br)[C@@H]1CC=CCC1 36719813 RPCAQSICUZDVRQ-SNVBAGLBSA-N 280.165 3.744 0 40 CHAB Nc1ccc(SCC(=O)Cc2ccc(Cl)cc2)cc1 2510361 FHGZJOUMDWOUAY-UHFFFAOYSA-N 291.803 3.826 0 40 CHAB C[C@]12CC3CC(C(=O)Nc4ccon4)(C1)C[C@](C)(C3)C2 101455101 DPSKPDWNYGBYAE-XYJYLCNOSA-N 274.364 3.610 0 40 CHAB CCc1cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc2s1 13109328 HEBOYQBOOFLOGI-PHIMTYICSA-N 275.421 3.736 0 40 CHAB CC[C@H](C)NC(=O)N[C@H](CC)c1ccc(Cl)cc1 13746446 UIVNQZUVRUOYMS-GXFFZTMASA-N 268.788 3.889 0 40 CHAB Nc1cc(Br)ccc1OCC1CCCC1 14630902 IKMANBQIHLPYDR-UHFFFAOYSA-N 270.170 3.600 0 40 CHAB CCc1ccc(NC(=O)c2c(F)cccc2F)cc1 15080522 GSMIKIUZGFOXRU-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB CC(C)Sc1ccccc1NC(=O)N1CCSCC1 98020379 ZBJWOEKZRNMBLC-UHFFFAOYSA-N 296.461 3.768 0 40 CHAB COc1ccccc1C(=O)Nc1ncc(C(C)(C)C)s1 81234349 RWNUGNHELOYOGG-UHFFFAOYSA-N 290.388 3.702 0 40 CHAB CC[C@@H](SCc1nnc(C)n1C)c1ccc(F)cc1F 91030153 KWOOSENMYWNCPI-CYBMUJFWSA-N 297.374 3.786 0 40 CHAB C[C@H]1CCc2c(sc3[nH]c(=S)n(C4CC4)c(=O)c23)C1 17023009 KFQACORBQRVXCE-ZETCQYMHSA-N 292.429 3.580 0 40 CHAB Cc1nc(C[S@@](=O)[C@H](C)c2cccc(Cl)c2)oc1C 97083662 PDQGVGLLSAATQU-WYRIXSBYSA-N 297.807 3.955 0 40 CHAB CN(Cn1ncsc1=S)[C@H]1CCCc2ccccc21 95947971 DPCGBFDVEXTGOF-ZDUSSCGKSA-N 291.445 3.641 0 40 CHAB C[C@H](c1ccccc1)N(C)C(=O)CC[C@@H](N)c1ccccc1 95947921 JXJUDOWNFXSLKZ-CRAIPNDOSA-N 296.414 3.686 0 40 CHAB O=C(O)c1[nH]nc(-c2ccc(F)cc2)c1C1CCCC1 72220435 QEXXAUXWPOOILH-UHFFFAOYSA-N 274.295 3.572 0 40 CHAB Cc1cc(-c2nnc(NC(=O)Nc3ccccc3)o2)c(C)o1 56905716 DURHZQLWRMNQCK-UHFFFAOYSA-N 298.302 3.590 0 40 CHAB CC[C@H](c1ccccc1)c1nc(-c2cccc(N)c2)no1 35697289 ZZSZEPPZTVUHOY-OAHLLOKOSA-N 279.343 3.861 0 40 CHAB COc1ccc(-c2nc3cc(OC)cc(Cl)c3[nH]2)cc1 216916698 ZJNZAROFBOGPFR-UHFFFAOYSA-N 288.734 3.901 0 40 CHAB Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)ccn1 72219493 SJFSAAVIMSRSMH-KRWDZBQOSA-N 280.371 3.757 0 40 CHAB Cc1ccc(NC(=O)c2c[nH]c3ccc(N)cc23)cc1C 62832298 XJJGQNCFYJDJFL-UHFFFAOYSA-N 279.343 3.619 0 40 CHAB CCOc1ccc(C(=O)NCC2=CCCCC2)cc1Cl 225099202 OOSYESBOZDYBLX-UHFFFAOYSA-N 293.794 3.969 0 40 CHAB CC(C)Oc1ccc(NC(=O)Cc2ccccc2F)cc1 49228716 GMNKVVKVOICMRK-UHFFFAOYSA-N 287.334 3.794 0 40 CHAB Cc1ccc2cc(CNCc3sc(C)nc3C)ccc2n1 225464368 RCIJCBYEBOOJTR-UHFFFAOYSA-N 297.427 3.906 0 40 CHAB Clc1cc2n[nH]c(Br)c2cc1Cl 199769364 WGRJHJCGIHPSMK-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB c1ccc2c(c1)cc([C@H]1CCCCN1)n2CC1CC1 95098035 VLSQNHQZSUHOKK-OAHLLOKOSA-N 254.377 3.866 0 40 CHAB CC(C)c1sc(Cl)nc1C(=O)Nc1ccccc1O 95477103 TZMYTBXTEZQKEY-UHFFFAOYSA-N 296.779 3.878 0 40 CHAB O=C(O)c1sc(Cl)cc1OCc1ccccc1 96510915 KLUVGKQVMUZTRQ-UHFFFAOYSA-N 268.721 3.679 0 40 CHAB COCCCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 96431618 LRKJCCNAJJTJMA-CZUORRHYSA-N 293.382 3.552 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)C[C@H]2COC(=O)c1ccc(N)cc1 245241197 YVLDLIKDVQTDRK-DHSIGJKJSA-N 287.403 3.888 0 40 CHAB CC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95631343 WRSSEASOIDURFX-UHFFFAOYSA-N 270.172 3.856 0 40 CHAB CC(C)COc1ccc(C(=O)C(F)(F)F)cc1F 95730680 DRMOMWLKLHUUBJ-UHFFFAOYSA-N 264.218 3.606 0 40 CHAB OCc1cc(C(F)(F)F)nc2cc(C(F)(F)F)ccc12 685937329 NNTOCFIERBAQOS-UHFFFAOYSA-N 295.182 3.765 0 40 CHAB Clc1cnc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)nc1 1776002001 XRQXLJOIZCJHHE-KBPBESRZSA-N 275.783 3.742 0 40 CHAB Cc1ccccc1CC(Cc1ccccc1C)C(=O)O 37528703 NRXFUWWXJYHIOR-UHFFFAOYSA-N 268.356 3.789 0 40 CHAB CN1C(=O)/C(=C/c2ccccc2Cl)c2ccccc21 8091847 DLQVEYBYJMQZME-JLHYYAGUSA-N 269.731 3.857 0 40 CHAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3)o2)c(C)c1 5169597 OLBFXTFCBAZGBB-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CCOP(=O)(OCC)[C@@](C)(O)c1cccc(Cl)c1 5905594 DPGMEBJJXHCCEU-GFCCVEGCSA-N 292.699 3.771 0 40 CHAB CCCCC(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C 12941253 CKUSGQKDQMDQHT-AWEZNQCLSA-N 299.418 3.857 0 40 CHAB CCCCCCNC(=O)N1CCC[C@@H]2CCCC[C@@H]21 16637953 FUIBNSFIKHECCW-GJZGRUSLSA-N 266.429 3.931 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CC[C@@H](c2ccccc2)C1 12020463 UEQDBZJTNOIEHV-OAHLLOKOSA-N 285.774 3.970 0 40 CHAB CC(=O)CCc1ccc(Oc2ncnc3ccccc23)cc1 24057490 LTBKICYAOFJZTO-UHFFFAOYSA-N 292.338 3.944 0 40 CHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cccnc1 12975059 GDSLFJSXFVACTM-UHFFFAOYSA-N 298.676 3.589 0 40 CHAB c1ccc(N2CCN(c3nccc4sccc34)CC2)cc1 40151417 QRGKAUPPIIXFEJ-UHFFFAOYSA-N 295.411 3.623 0 40 CHAB CCCC[C@H](CC)CNC1CCN(C(C)C)CC1 20124491 ULSHQJMUFCTEPG-HNNXBMFYSA-N 254.462 3.665 0 40 CHAB CCCN1CCC(N[C@H](C)CCCC(C)C)CC1 20138629 LPOGLYMFSGZALH-OAHLLOKOSA-N 254.462 3.665 0 40 CHAB O=C(NCCC1=CCCCC1)NCc1ccc(F)cc1 30982416 POLQEXXXFDCSJO-UHFFFAOYSA-N 276.355 3.515 0 40 CHAB O=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)on1 21149562 IDISCRNVEJPMCJ-UHFFFAOYSA-N 288.303 3.795 0 40 CHAB O=C(Nc1ccc(Br)cc1)OCC(F)(F)F 32628863 LGGVHJPSCMJAOX-UHFFFAOYSA-N 298.058 3.560 0 40 CHAB in-vitro CCN(CC)C(=O)Nc1cc(Cl)cc(Cl)c1 391730 WZPGKSOMIKHUEW-UHFFFAOYSA-N 261.152 3.867 0 40 CHAB O=C(Nc1ccccc1Cl)c1cc(-c2ccco2)on1 32888149 FHJUGFLOSUEUEG-UHFFFAOYSA-N 288.690 3.840 0 40 CHAB Cc1ccc2c(c1)OC=CC(C(=O)NC1CCCCC1)=C2 33321299 MPSFIMZFTLNUNJ-UHFFFAOYSA-N 283.371 3.733 0 40 CHAB O=C(Nc1ccc(F)cc1Cl)c1ccsc1 22396408 BJBRLKCMIHMOSE-UHFFFAOYSA-N 255.701 3.793 0 40 CHAB Cc1ccoc1C(=O)Nc1nc2c(s1)CCCCC2 22312256 UNHIWWCGWFHLDT-UHFFFAOYSA-N 276.361 3.566 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)c1occc1C 42007024 GSFBIWZZELKOJK-LBPRGKRZSA-N 275.373 3.799 0 40 CHAB O=C(CCc1ccccc1)Nc1cc(-c2ccccc2)n[nH]1 10051 OOPVMVPBRLYKSX-UHFFFAOYSA-N 291.354 3.648 0 40 CHAB CSc1nc2ccccc2n1Cc1ccc(F)cc1 347216 GWDCNPQYNZQQPZ-UHFFFAOYSA-N 272.348 3.946 0 40 CHAB O=C(O)c1c(-c2ccccc2)nn(-c2ccccc2)c1Cl 500181 FRAWYXMTLYEBLX-UHFFFAOYSA-N 298.729 3.891 0 40 CHAB C[C@@H]1CCc2nc(NC(=O)c3ccccc3F)sc2C1 1508304 JMVBUNSXMLCVTL-SECBINFHSA-N 290.363 3.659 0 40 CHAB CCCCc1c(C)c2ccc(OC)c(C(C)=O)c2oc1=O 2180712 ZRRRWGXBSLEJES-UHFFFAOYSA-N 288.343 3.655 0 40 CHAB O=C(c1ccc(Br)cc1)C1CCCC1 2514360 IQQVNZBTCJEXKS-UHFFFAOYSA-N 253.139 3.822 0 40 CHAB Cc1ccc(C(=O)Nc2c(C)cc(O)cc2C)cc1 3073845 MFCDIJJMKWDGQS-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(Br)c2)o1 3454002 LHSRJGZIIFGFSX-UHFFFAOYSA-N 280.121 3.603 0 40 CHAB O=C(C(=S)Nc1ccccc1Cl)c1ccccc1 3846926 VSLMVHRUGRGMKA-UHFFFAOYSA-N 275.760 3.962 0 40 CHAB biogenic CC(C)[C@@]12CC[C@@](C)(O1)[C@H](OC(=O)Nc1ccccc1)C2 4110263 IPYTWWJJNIJNSE-OIISXLGYSA-N 289.375 3.971 0 40 CHAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1F 4138494 NIQSJJJWIBIEQE-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB C[C@H]1[C@@H](O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 4375821 FAHFBUDMUKEFDS-VLQPXKRTSA-N 281.399 3.802 0 40 CHAB CCn1c(N)c(-c2ccccc2Cl)c(=O)c2ccccc21 5021842 DRVBZZRWBFMRQG-UHFFFAOYSA-N 298.773 3.924 0 40 CHAB O=C(Sc1nncc2ccccc12)c1ccc(F)cc1 5605032 ORVWBTZIXFMGLE-UHFFFAOYSA-N 284.315 3.701 0 40 CHAB O=C(Cc1ccsc1)Nc1cccc(Br)c1 6338931 XETGOUZEOGSAMO-UHFFFAOYSA-N 296.189 3.692 0 40 CHAB CNc1nc(-c2ccc(OC)c(Br)c2)cs1 7844462 KYRXLNCYUHEPTM-UHFFFAOYSA-N 299.193 3.623 0 40 CHAB COc1ccc(C)cc1NC(=O)C(C)(C)c1ccccc1 7971407 VVSSBKUSNGSUKI-UHFFFAOYSA-N 283.371 3.920 0 40 CHAB CCOc1cccc(CN[C@H](C)c2ccccc2)c1 8325281 MRVPCJNRVNUKKG-CQSZACIVSA-N 255.361 3.936 0 40 CHAB COC[C@@H](C)Nc1nc(-c2ccsc2)nc2ccccc12 9153956 IFGHSRPCSDERRG-LLVKDONJSA-N 299.399 3.805 0 40 CHAB O=C(NC1CCCCC1)c1cccc(-n2cccc2)c1 10237372 GTIYTQAGQLKGPJ-UHFFFAOYSA-N 268.360 3.540 0 40 CHAB Cc1nc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2[nH]1 10896065 JRFHWVMQQNYTFI-UHFFFAOYSA-N 299.761 3.706 0 40 CHAB COc1cc(C(=O)Nc2cccc3cccnc23)ccc1C 10914321 SZRIUWMWGVGYCP-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CSc1cccc(NC(=O)CSc2ccncc2)c1 12526877 LHQBPBMAZNMNLW-UHFFFAOYSA-N 290.413 3.534 0 40 CHAB CC(=O)Nc1cccc(NC(=O)CCc2cccc(C)c2)c1 12621921 ORONZKJLXSLZRM-UHFFFAOYSA-N 296.370 3.525 0 40 CHAB CC1=C[C@H](C)[C@H](CN2CCO[C@H]2C(C)C)[C@@H](C)C1 13778319 ZINAYKAEPVIUEM-VGWMRTNUSA-N 251.414 3.539 0 40 CHAB O=C(O)/C=C\c1ccc2c(c1)CC1(Cc3ccccc3C1)C2 17254875 QDUPLBCEMNFINR-VURMDHGXSA-N 290.362 3.668 0 40 CHAB Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc21 20352018 OZMPKNJOSOOJBN-UHFFFAOYSA-N 278.277 3.982 0 40 CHAB CN(C(=O)COc1ccc(Cl)cc1)C1CCCCC1 22513020 SVQOLRWTZZVEGW-UHFFFAOYSA-N 281.783 3.510 0 40 CHAB N[C@@H](COc1ccccc1C(F)(F)F)c1ccccc1 23071460 QWIZJYQOXWXQGL-ZDUSSCGKSA-N 281.277 3.784 0 40 CHAB Cc1ccc(CNC(=O)c2cccc(C)c2C)cc1F 24284752 UHKYXZIVAKMTHR-UHFFFAOYSA-N 271.335 3.681 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1(C)C 27279104 PQTMGZUXTMNYRW-ZACQAIPSSA-N 298.430 3.984 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2cc(C)ccc2O)cc1 31911277 DGQWJFWYCSARSR-UHFFFAOYSA-N 298.386 3.799 0 40 CHAB Cc1cc(NC(=O)C2CCCCC2)n(C2CCCC2)n1 32610707 YIGFZYCPIBXLJU-UHFFFAOYSA-N 275.396 3.825 0 40 CHAB C[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CC=CCC1 32930655 VUYLMWDALVFCBT-CHWSQXEVSA-N 277.795 3.744 0 40 CHAB CN(Cc1ccccc1)c1nc2ccccc2s1 34464237 KWWDDSRFRQWWNA-UHFFFAOYSA-N 254.358 3.933 0 40 CHAB CCCCN1C(=O)S/C(=C/c2ccccc2F)C1=O 35042188 IMUPBUJJFJDJEG-FMIVXFBMSA-N 279.336 3.662 0 40 CHAB C[C@@H](Sc1ccccn1)c1nnc(-c2ccccc2)o1 36397664 QKDJCGFPOFOIBM-LLVKDONJSA-N 283.356 3.985 0 40 CHAB O=C(NC/C=C/c1ccccc1)OCc1ccccc1 36450490 SDPDNVRHOJHYMN-KPKJPENVSA-N 267.328 3.626 0 40 CHAB CC(C)CCN(C(=O)c1cc2ccccc2[nH]1)C1CC1 37502984 OCDXSIJNOFJRNJ-UHFFFAOYSA-N 270.376 3.819 0 40 CHAB CC(C)(C)C(=O)Nc1ccccc1-c1ncccc1F 38979585 OVBPZKHZXQJCKW-UHFFFAOYSA-N 272.323 3.872 0 40 CHAB CC(C)N(C(=O)[C@@H](C)Nc1ccc2c(c1)CCC2)C(C)C 40001145 DKBFGCXCSQPTKA-CQSZACIVSA-N 288.435 3.621 0 40 CHAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CC=CCC1 40159472 DCSGQHIZXFMOGN-CYBMUJFWSA-N 297.320 3.720 0 40 CHAB CCc1cc(OCC[C@@H]2CCCCN2)ccc1Cl 42771490 BHZDVRDPNPOFAN-ZDUSSCGKSA-N 267.800 3.813 0 40 CHAB Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1Cl 44253144 SBLVCQDSZXIYAT-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)NC(C(C)C)C(C)C 44880990 PSOAVWNKCAFTRB-CQSZACIVSA-N 277.408 3.559 0 40 CHAB CCOC(=O)c1ccc(-c2ccc(Cl)nc2)s1 45028427 GCHFLLZAAGUVJY-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB Cc1cccnc1C(=O)c1cccc(Cl)c1Cl 45028694 KCGQSXMGFQPTAD-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Cc1ccc(N(C)C(=O)c2cc(-c3cccs3)[nH]n2)cc1 57413146 NYKDJKRBZUNJMO-UHFFFAOYSA-N 297.383 3.723 0 40 CHAB O=C(CCc1ccccc1)N1CC[C@@H]1c1ccccc1 58011329 FXRDYZLBJDRIIZ-QGZVFWFLSA-N 265.356 3.593 0 40 CHAB CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)CC1CCCCC1 59206659 KWAZBFFJSLAYPW-ZDUSSCGKSA-N 299.411 3.715 0 40 CHAB O=C(c1cccc2cccnc12)N1CCCc2ccccc21 60526095 LMXUILLTBDMJNZ-UHFFFAOYSA-N 288.350 3.828 0 40 CHAB O=Cc1c(C(F)F)nn(C2CCCCC2)c1Cl 61628973 VQHKVIKDAURKJB-UHFFFAOYSA-N 262.687 3.792 0 40 CHAB CC[C@H](C)c1csc(NC(=O)c2ccoc2)n1 67853589 MBPMNTLCDOOZPC-QMMMGPOBSA-N 250.323 3.502 0 40 CHAB CCCOC(=O)c1cc(N)ccc1NC1CCCCC1 70461617 WWDCTRDIYPRPAZ-UHFFFAOYSA-N 276.380 3.580 0 40 CHAB Cc1ccc([C@@H]2N(C#N)N=CN2c2ccc(C)cc2)cc1 71404912 RQASXXZGDWRTKZ-KRWDZBQOSA-N 276.343 3.549 0 40 CHAB Cc1noc(C)c1NC(=O)C[C@H]1CCCc2ccccc21 71888050 MMWXOXRULZIIIJ-CQSZACIVSA-N 284.359 3.740 0 40 CHAB Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccco2)n1 71978251 KFZDDADAHOXLAD-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(N2CCCC2)nc1 72215927 QUDITTSCFOGEQE-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB Cc1sc2ncnc(N3CC(C)(C)C3(C)C)c2c1C 72310961 PCCAIDFGUFLNKW-UHFFFAOYSA-N 275.421 3.933 0 40 CHAB Cc1ccc2[nH]c([C@@H](O)c3ccccc3)c(C)c2c1 72434060 WYSJRBNZOUNUBJ-KRWDZBQOSA-N 251.329 3.866 0 40 CHAB O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCCCC1 73260870 MBJOGKBBIGAYSD-QWHCGFSZSA-N 297.320 3.821 0 40 CHAB Cc1ccc(-c2cc(CSC3=NCCS3)on2)cc1 78754302 CKWFJBJIKDHBHL-UHFFFAOYSA-N 290.413 3.986 0 40 CHAB C[C@@H]1c2ccccc2OCCN1C(=O)Nc1ccccc1 82358732 HUVKIESTZZIHGN-CYBMUJFWSA-N 282.343 3.674 0 40 CHAB Cc1ccc(OC(Cl)(Cl)Cl)c(F)c1F 95215613 KJQFWISDOBTJNX-UHFFFAOYSA-N 261.482 3.980 0 40 CHAB FC(F)(F)c1cc2cc(Br)ccc2[nH]1 95348416 QUSUYOMFIYYARB-UHFFFAOYSA-N 264.044 3.949 0 40 CHAB COc1ccccc1[C@H](C)Nc1cccc(N(C)C(C)=O)c1 97045704 NZDNNJYTLRXOQL-ZDUSSCGKSA-N 298.386 3.851 0 40 CHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccccc2)C1 100626521 VBARFZRVWLOROJ-WMLDXEAASA-N 257.377 3.727 0 40 CHAB C[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@@H]4[C@@H]3[C@H]3[C@@H]5[C@@H]6CC[C@H]([C@@H]6[C@@H]31)[C@]21OC[C@@]541 104294781 MQVLKYFHCBNAPZ-OGWPSAMOSA-N 294.438 3.586 0 40 CHAB CCCNCc1cc(C)n(Cc2cccc(C)c2)c1C 223662778 LCYDBWXANPVRCG-UHFFFAOYSA-N 270.420 3.961 0 40 CHAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1 225687340 BFBNJPIKUWUGJA-QGZVFWFLSA-N 293.407 3.865 0 40 CHAB CCCOc1ccc(NC(=O)C2(C)CCCC2)c(C)n1 225880909 KRRMQCGGJGVLSQ-UHFFFAOYSA-N 276.380 3.698 0 40 CHAB CCC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)CC 257311637 UKJXCADTUGPDTK-BKQFBDTOSA-N 293.451 3.523 0 40 CHAB NCC1(c2cc(Cl)cc(C(F)(F)F)c2)CCC1 259604530 ZXFBXOHFFVZKPI-UHFFFAOYSA-N 263.690 3.739 0 40 CHAB O=C(c1ccc(F)cc1Cl)C(F)(F)Br 307211921 ULDUATBLZNCOHJ-UHFFFAOYSA-N 287.462 3.650 0 40 CHAB O=C(NCc1ccc(-c2ccsc2)o1)c1ccoc1 575610198 LTGWYKPSJVUCTO-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB Cc1ccnc(SCc2ccc(Cl)cc2)n1 574228 GYHQDCYFAKLDMK-UHFFFAOYSA-N 250.754 3.731 0 40 CHAB CC(=O)OC[C@]12COC3(CCCC3)[C@H](C(C)=C[C@H]1C)[C@@H]2C 1057591 DNFFPEBVRBASNE-WTTBNOFXSA-N 292.419 3.727 0 40 CHAB O=Cc1cccn1-c1nc2c(Cl)cccc2s1 1527302 BBVFXTUKICDTBD-UHFFFAOYSA-N 262.721 3.553 0 40 CHAB CCCCOC(=O)c1ccccc1C(=O)c1ccccc1 1586780 VMHKPGQWBDCKSM-UHFFFAOYSA-N 282.339 3.875 0 40 CHAB CCCC[C@@H](CC)C(=O)O[C@H](C)C(=O)Nc1ccccc1 1641157 OWGNFZPHTFMKSU-ZIAGYGMSSA-N 291.391 3.773 0 40 CHAB C[C@@H](CCc1ccccn1)C(=O)[C@H](C)CCc1ccccn1 1675616 DYMMECNRDCHTAE-IYBDPMFKSA-N 296.414 3.883 0 40 CHAB COc1cccc(CCC(=O)Nc2ccc(C)cc2)c1 24588181 XGWLLVSAIOSGBQ-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1 3219916 VFGCMJDXLFMWON-RIYZIHGNSA-N 285.730 3.841 0 40 CHAB CCC1=Nc2ccccc2NC(N)=C1c1ccccc1 8733478 HBLAAMQYAWAROX-UHFFFAOYSA-N 263.344 3.922 0 40 CHAB CC(C)C[C@@H](C)N(C)C(=O)N[C@H](C)Cc1ccsc1 57855992 NFHPWFLPDXWPQL-CHWSQXEVSA-N 282.453 3.755 0 40 CHAB COCc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 29144093 VMMDSCIFALBKMQ-UHFFFAOYSA-N 289.762 3.668 0 40 CHAB COc1ccccc1OC(=O)c1cc(-c2ccccc2)on1 27583698 GWNACQXNGSXEPY-UHFFFAOYSA-N 295.294 3.569 0 40 CHAB CCc1cccc(NC(=O)N2CCC(n3cccc3)CC2)c1 58605760 FMGLZPBILZTLFW-UHFFFAOYSA-N 297.402 3.920 0 40 CHAB CCCCNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 12813423 DGPFMNOIHWUXPW-ZDUSSCGKSA-N 285.387 3.868 0 40 CHAB COc1cccc(C(=O)NC(C)(C)CC(C)(C)C)c1 57156178 MVIKQVSOVBZUGF-UHFFFAOYSA-N 263.381 3.640 0 40 CHAB O=C(NCc1ccccc1F)c1ccccc1C(F)(F)F 2627268 ZTNBJJFLEMGHJB-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB CCCNC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1 12920352 APHPUAWSYJWVKC-UHFFFAOYSA-N 295.382 3.674 0 40 CHAB c1ccc(-c2nnc3sc(-c4ccsc4)nn23)cc1 12391460 BGNABQQMOHEIGY-UHFFFAOYSA-N 284.369 3.581 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2F)c1 3608739 ZKSGEGMMZKOQDV-LBPRGKRZSA-N 273.307 3.540 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1 6316457 JPAUIGJHZMQEDA-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB S=c1[nH]nc(/C=C/c2ccc(Cl)cc2Cl)[nH]1 6480316 JIMGHSVNQRAMOL-DUXPYHPUSA-N 272.160 3.944 0 40 CHAB CCc1ccc([C@H](C)NC(=O)COc2ccccc2)cc1 23439159 WTXMFIXZQSVHFL-AWEZNQCLSA-N 283.371 3.505 0 40 CHAB CSc1cccc(N2Cc3ccccc3O[C@H](C)C2=O)c1 75165490 IDGJBHMCHWJKCF-GFCCVEGCSA-N 299.395 3.723 0 40 CHAB CC[C@@H](NC(=O)c1cccs1)c1nc2ccccc2[nH]1 6659876 MJZGXKHPCDJPFB-SNVBAGLBSA-N 285.372 3.506 0 40 CHAB Nc1ccc(OCCc2ccccc2)c(C(F)(F)F)c1 14630170 GAJZPDPCDZOKDP-UHFFFAOYSA-N 281.277 3.909 0 40 CHAB Cc1ccc2c(C(=O)CN3C[C@@H](C)C[C@H](C)C3)c(C)[nH]c2c1 4871449 GCGMLBYPUYKAJU-KBPBESRZSA-N 298.430 3.945 0 40 CHAB CC(C)N(C(=S)Nc1ccc2nsnc2c1)C(C)C 409000257 YBHWCKKRQNQFAN-UHFFFAOYSA-N 294.449 3.507 0 40 CHAB COc1ccc([C@H](NC(=O)c2cccs2)C2CC2)cc1 8768336 LCIYNPIGLXYNCK-OAHLLOKOSA-N 287.384 3.638 0 40 CHAB Cc1cc2cc(CNC(=O)OC(C)(C)C)ccc2[nH]1 26422313 DYSYDEWASOKWQU-UHFFFAOYSA-N 260.337 3.501 0 40 CHAB Cc1cscc1CNc1cnc2ccccc2n1 94883046 PRVVAFAZLYIAJQ-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 34051554 BTTWKVFKBPAFDK-QAZMUZRASA-N 290.447 3.671 0 40 CHAB O=C(O)C1(c2cc(-c3ccc(Cl)cc3)on2)CCCC1 72220622 CAHLZTFOAXRNAX-UHFFFAOYSA-N 291.734 3.891 0 40 CHAB O=C(Cc1ccc(Cl)cc1)n1cc(CO)c2ccccc21 216952441 UXXSJCPRYIFURN-UHFFFAOYSA-N 299.757 3.670 0 40 CHAB c1ccc(CN2CCC[C@@H]2c2ccc(NC3CC3)nc2)cc1 72213767 WBMAGXOKSLEVFQ-GOSISDBHSA-N 293.414 3.993 0 40 CHAB N[C@H](c1ccccc1)c1ccc(Oc2ccccc2)nc1 72225188 NQBAWANDOBTONJ-GOSISDBHSA-N 276.339 3.922 0 40 CHAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCNC3)c2)c1 72354416 LDPKQPOWFXQWEP-SFHVURJKSA-N 280.415 3.756 0 40 CHAB CCc1ccc(-c2cc(C3(CN)CCCC3)no2)cc1 72220691 PFMUOQDVVGYEHW-UHFFFAOYSA-N 270.376 3.675 0 40 CHAB CCc1ccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225043740 HHZADFYKTMNSDE-SFHVURJKSA-N 298.382 3.941 0 40 CHAB Cc1ccnc(N(C(=O)OC(C)(C)C)C2CCC2)c1 228966896 DYMSFDWIUGJGSX-UHFFFAOYSA-N 262.353 3.684 0 40 CHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1 225063056 BJJZJYINEDVKBX-AWEZNQCLSA-N 295.382 3.971 0 40 CHAB CC[C@H]1CCCCN1Cc1ccc(-n2cccn2)cc1 48288836 UHYNQMDIAZOFPE-INIZCTEOSA-N 269.392 3.637 0 40 CHAB CC(C)(C)c1cnc(CN2CCc3sccc3C2)o1 48265618 ZRAAUYVGXNKPPJ-UHFFFAOYSA-N 276.405 3.592 0 40 CHAB COc1ccnc(CNC2(c3ccc(Cl)cc3)CC2)c1 195559726 LHXILAMAXLVFED-UHFFFAOYSA-N 288.778 3.523 0 40 CHAB C[C@@H](NN)c1ccc(-c2ccc(Br)cc2)cc1 199534622 QKOVAZNPRZFREC-SNVBAGLBSA-N 291.192 3.640 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](OCc2ccccc2)C1 96302940 SIHORALXKHRJAD-OAHLLOKOSA-N 291.391 3.603 0 40 CHAB Cc1cccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 45948886 YLPJYTXVQRDULX-GDBMZVCRSA-N 290.407 3.712 0 40 CHAB Cc1cc(CNC(=O)c2sccc2-c2ccccc2)on1 58377981 WECBBAMZFJCTJG-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB Cc1nnc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)s1 95987467 BRWSKUNENXNHAP-CQSZACIVSA-N 293.823 3.741 0 40 CHAB O=C(O)/C(=C\c1ccccc1Cl)c1ccccc1 317854 XRUILMSWZHTDSO-RAXLEYEMSA-N 258.704 3.965 0 40 CHAB O=C(Cn1cnc(Cl)c1Cl)c1ccc(Cl)cc1 160945 LROYROUOQBZPOQ-UHFFFAOYSA-N 289.549 3.726 0 40 CHAB CCC[C@H]1[C@H](CC)C1(Br)Br 162171 FYYYLMWEQBJQSW-BQBZGAKWSA-N 270.008 3.929 0 40 CHAB Cc1c(C(=O)NC2CCCCC2)oc2ccccc12 908249 PKRYGPVXTYJRKR-UHFFFAOYSA-N 257.333 3.804 0 40 CHAB Cc1nc(CN2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)cs1 1615152234 AQQOETYISHEAEJ-XJKSGUPXSA-N 294.464 3.621 0 40 CHAB CCCn1c(-c2ccc(Cl)cc2)cnc1S 13564059 UFFWCSUAXPRIBO-UHFFFAOYSA-N 252.770 3.902 0 40 CHAB S=C(Nc1ccccc1)NC12C[C@@H]3CC1C[C@@H](C3)C2 13577122 XHJUEBJSTXGGMN-ZAQWFSBCSA-N 272.417 3.552 0 40 CHAB COc1ccc(-c2c(C)c3ccc(O)c(C)c3oc2=O)cc1 17043348 VJEMKBLWLGIWFX-UHFFFAOYSA-N 296.322 3.791 0 40 CHAB biogenic Clc1cccc(-c2n[nH]cc2-c2ccncc2)c1 19293484 UKTSEGCYQCDWLX-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)s1 100622639 RFNRIMXQDDDNGY-UMSGYPCISA-N 263.406 3.611 0 40 CHAB O=C(Oc1ccc2oc3ccccc3c2c1)c1cnccn1 35903597 VLQNPIZHXQEGLZ-UHFFFAOYSA-N 290.278 3.595 0 40 CHAB Cc1ccc(CNc2ccc(N3CCOCC3)cc2)s1 211205 YCUBHDYSYDELMF-UHFFFAOYSA-N 288.416 3.505 0 40 CHAB Cc1nc(N2CCCCCC2)c2c(C)c(C)sc2n1 8328092 CKMRQNFTAISPLX-UHFFFAOYSA-N 275.421 3.997 0 40 CHAB O=C(NCC1(c2cccs2)CC1)Nc1ccccc1 22679873 KKJMODQGJNKMFZ-UHFFFAOYSA-N 272.373 3.601 0 40 CHAB CCOC(=O)c1sc(NC(=O)c2ccsc2)cc1C 35161086 LRZJCDHKTMEWEO-UHFFFAOYSA-N 295.385 3.547 0 40 CHAB Cc1cccnc1NC(=O)Nc1ccc(Cl)cc1F 20419221 MZUWXKMGDUCBLD-UHFFFAOYSA-N 279.702 3.827 0 40 CHAB C[C@H](CNC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 32476001 OOSKHZSLBIUGHP-CYBMUJFWSA-N 278.355 3.701 0 40 CHAB CC(=O)Nc1ccc(OC(=O)c2ccccc2Cl)cc1 383599 TZEBFJVMOUXHEH-UHFFFAOYSA-N 289.718 3.518 0 40 CHAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)C(C)C)cc1C 32916575 HQBYJKRBGYQUKM-AWEZNQCLSA-N 295.448 3.501 0 40 CHAB Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1 577675 DSSUFLHIMOCNHM-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB Cc1sc(NC(=O)c2ccncc2)nc1-c1ccccc1 63207 VPLLUDJRXDCJOT-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C1CS[C@H](c2ccc(F)cc2)N1c1cccc(F)c1 179961 WXQPNOYOMPYROU-OAHLLOKOSA-N 291.322 3.743 0 40 CHAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)cc1 235836 UWPMIBVQZDSYNA-MWABVPJASA-N 270.372 3.918 0 40 CHAB CCCC(=O)Nc1nc2c(Cl)cccc2s1 364125 HXHMTBSGGCNFAS-UHFFFAOYSA-N 254.742 3.688 0 40 CHAB CC(C)Oc1ccc(C(=O)N2CCc3ccccc32)cc1 484469 NSVYEGNCPLKEBM-UHFFFAOYSA-N 281.355 3.677 0 40 CHAB O=Cc1c[nH]c2ccc(NC(=O)OCc3ccccc3)cc12 1693997 UPQCXWFVCCWWPP-UHFFFAOYSA-N 294.310 3.729 0 40 CHAB O=C(c1ccc(Br)cc1F)C1CCCC1 2514378 KTADRIGCYYEHGL-UHFFFAOYSA-N 271.129 3.961 0 40 CHAB CCCCC(=O)c1ccc(OC(=O)c2ccco2)cc1 3079279 CETNCYOYHJOBDU-UHFFFAOYSA-N 272.300 3.872 0 40 CHAB CC1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1 3453905 OXMZDBUHKYWTFZ-UHFFFAOYSA-N 299.773 3.553 0 40 CHAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCC3)n1 4059537 OXPSQBCQDQJAHO-UHFFFAOYSA-N 266.344 3.521 0 40 CHAB Cc1csc(NC(=O)Nc2c[nH]c3ccccc23)n1 5299990 QIRTXONKJODCLQ-UHFFFAOYSA-N 272.333 3.577 0 40 CHAB COc1ccccc1[C@H](C)c1cc2c(cc1OC)OCO2 6030434 QNUXFDXAKVNWRH-NSHDSACASA-N 286.327 3.584 0 40 CHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 6472573 NVKAWKQGWWIWPM-OPAYZWDASA-N 290.447 3.959 0 40 CHAB biogenic,in-man C[C@H](Sc1ccccn1)C(=O)c1c[nH]c2ccccc12 7180727 UNBBQLCMCVZMEA-NSHDSACASA-N 282.368 3.926 0 40 CHAB CCC(CC)Nc1nc2cc(C)nn2c2ccccc12 7777110 DTPBEYIOWNBUIU-UHFFFAOYSA-N 268.364 3.791 0 40 CHAB CC(C)(C)SCC(=O)Nc1cccc2ncccc12 7781163 XATQTZSNZSDALP-UHFFFAOYSA-N 274.389 3.705 0 40 CHAB C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccncc1 9979159 HPAZXYVKUXASRZ-JTQLQIEISA-N 298.371 3.574 0 40 CHAB O=C(O)CC(c1ccc(F)cc1)c1ccc(F)cc1 11629069 KIAWGXRQLBWNEE-UHFFFAOYSA-N 262.255 3.571 0 40 CHAB CCCNC(=O)c1ccccc1Nc1ccccc1 12596274 KOPIEASZSWJSBT-UHFFFAOYSA-N 254.333 3.570 0 40 CHAB O=C(NC1CCCCCC1)c1cc(Cl)nc(Cl)c1 12906790 DBTQWRUGYMMTFV-UHFFFAOYSA-N 287.190 3.841 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccoc1C 12982167 BPEQNEXIWPFHKO-UHFFFAOYSA-N 279.723 3.811 0 40 CHAB O=C(CCc1ccccc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 12986259 GKRFHUNHBSUFEH-KGLIPLIRSA-N 299.336 3.857 0 40 CHAB O=C(O)/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl 13476779 RQMWDQMALYNILJ-HNQUOIGGSA-N 270.326 3.646 0 40 CHAB S=C(Nc1cccnc1)Nc1cccc(Cl)c1 13837065 QXONPLHZUKZUDF-UHFFFAOYSA-N 263.753 3.544 0 40 CHAB CCCCCCNc1ccc(Br)cn1 15042833 CLBBDEGBRCDYEE-UHFFFAOYSA-N 257.175 3.836 0 40 CHAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(F)cc1F 16385289 JUUNWPZYETWKBU-AXFHLTTASA-N 280.318 3.523 0 40 CHAB CCCCCCNC(=S)Nc1ccc(NC(C)=O)cc1 16638116 KVPMAYHEZHVKEP-UHFFFAOYSA-N 293.436 3.512 0 40 CHAB CCc1ccc(-c2nc3c(cnn3[C@H](C)C(C)C)[nH]2)nc1 20866739 HGDMGXUNOHUYON-LLVKDONJSA-N 283.379 3.601 0 40 CHAB Cc1cccc(C)c1NC(=O)/C=C\c1ccccc1 31723327 RGVUJGWQEVQKSO-QXMHVHEDSA-N 251.329 3.955 0 40 CHAB C[C@H]1CCN(C(=O)c2ccc(Cl)nc2)c2ccccc21 31785337 LGUVNSNEOSKUFW-NSHDSACASA-N 286.762 3.889 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC(c2ccccc2)CC1 32908296 HEMHSSZVBDDDIP-KRWDZBQOSA-N 269.388 3.749 0 40 CHAB CSc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1 33379571 NGVMTTHHRXELEU-UVTDQMKNSA-N 267.353 3.901 0 40 CHAB CN(Cc1ccccc1F)C(=O)c1c[nH]c2ccccc12 35134691 GFTFMJWZFXBCAT-UHFFFAOYSA-N 282.318 3.579 0 40 CHAB O=C(O)c1cc(Cl)c(C(F)(F)F)cc1Cl 35874979 LSSFGRYSIFJIRB-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB COc1cccc2cc(CN[C@@H](C)CC(C)C)oc12 37255493 TTZAIECUBXRAFW-LBPRGKRZSA-N 261.365 3.966 0 40 CHAB CC(C)(C)c1ccc(C(=O)c2ccc3c(c2)OCO3)cc1 37354819 GNDUTCUCFIAOJY-UHFFFAOYSA-N 282.339 3.944 0 40 CHAB C[C@H]1CCCCN1C(=O)Nc1cccc(Br)c1 40095232 OXXOPGVZPWAZRE-JTQLQIEISA-N 297.196 3.855 0 40 CHAB FC(F)(F)c1cccc(Oc2ccnc(Cl)n2)c1 40448069 UPHGIDBRTYXLEH-UHFFFAOYSA-N 274.629 3.941 0 40 CHAB CC[C@H]1CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 41638894 AFDVLQDOBGOOOK-ZDUSSCGKSA-N 274.364 3.543 0 40 CHAB Cc1cc(C)cc(C(=O)N(Cc2ccco2)C2CC2)c1 44698291 VKCPRONQDUFPLC-UHFFFAOYSA-N 269.344 3.701 0 40 CHAB Cc1ccc(CC(=O)N(C)C2CCCCC2)cc1C 44841529 AOOOUAXQLAEEAG-UHFFFAOYSA-N 259.393 3.637 0 40 CHAB CN(C(=O)COc1ccccc1Cl)C1CCCCC1 44846474 RPOWJJBVFPMXLP-UHFFFAOYSA-N 281.783 3.510 0 40 CHAB CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1 48249870 LMEKPDQWEHYURM-DVOMOZLQSA-N 259.393 3.718 0 40 CHAB O=c1[nH]c(C2CC2)nc2scc(-c3cccs3)c12 48860620 CZUYZGGILMGTCV-UHFFFAOYSA-N 274.370 3.591 0 40 CHAB COc1ccc(-c2cc(-c3ccc(F)cc3)n[nH]2)cc1 49124832 LZTULHXQCCNOBQ-UHFFFAOYSA-N 268.291 3.891 0 40 CHAB C[C@@]12CCC[C@@]13CC[C@@H](O[C@@H]1CCCCO1)[C@@]3(C)C(=O)C2 71785880 SSIYISSRFZYJJI-UYTYNIKBSA-N 292.419 3.848 0 40 CHAB CCCCN1CCCC[C@@H]1c1cnc(OC)c(C)c1 72217745 WLRPOAYLXWZBFG-OAHLLOKOSA-N 262.397 3.726 0 40 CHAB Cc1nc(N2CCCC2)ccc1SC(C)(C)C 72224531 WBCBVBZLZBPIAV-UHFFFAOYSA-N 250.411 3.881 0 40 CHAB C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3nccs3)C2)C1 72295636 JUPZNAGDFANJDL-RDBSUJKOSA-N 292.448 3.675 0 40 CHAB Cc1cc(C)c2nc(-c3cc(N)ccc3O)sc2c1 73635449 NNYBHVTZBBGUBS-UHFFFAOYSA-N 270.357 3.868 0 40 CHAB O=C(O)c1sc(Cl)cc1OCc1ccccc1F 96510916 FEKUFADPKKCHOQ-UHFFFAOYSA-N 286.711 3.818 0 40 CHAB CCN(/C=C\C1(O)c2ccccc2-c2ccccc21)CC 103213028 APFYGWOJBQBXAV-YPKPFQOOSA-N 279.383 3.758 0 40 CHAB O=C(O)CCCCC(=O)CCCCCCCCCCO 113465827 COPNFFQUWJZURM-UHFFFAOYSA-N 286.412 3.704 0 40 CHAB CNCCCNc1ccnc2cc(Cl)cc(Cl)c12 222680958 YCLRIRGJSXDKKL-UHFFFAOYSA-N 284.190 3.563 0 40 CHAB CNCCCNc1cc(C)nc2c(Cl)cc(Cl)cc12 222689413 HHRKOLJFJPLOJA-UHFFFAOYSA-N 298.217 3.871 0 40 CHAB CCCCC(=O)Nc1cc(N)ccc1N1CCCC[C@H]1C 226253572 BEJCPIWOVSKPDN-CYBMUJFWSA-N 289.423 3.776 0 40 CHAB Fc1cccc(NC(=S)Nc2ccc3conc3c2)c1 409200377 LBSFUASVOPFPMO-UHFFFAOYSA-N 287.319 3.776 0 40 CHAB CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 499597582 CGOSYWJSYQNBMJ-VHSXEESVSA-N 259.132 3.660 0 40 CHAB COC(=O)C[C@H]1COc2c(Cl)cc(Cl)c(Cl)c21 585656380 PDHUOFHLJNQEFK-YFKPBYRVSA-N 295.549 3.686 0 40 CHAB Cc1ccc(-n2c(C)nc3sc4c(c3c2=O)CCC4)cc1 61448 OQMXSWBYTYDDAH-UHFFFAOYSA-N 296.395 3.553 0 40 CHAB Cc1ccccc1-n1c(C)nc2sc3c(c2c1=O)CCC3 61458 WYEQBGOCJZCWHS-UHFFFAOYSA-N 296.395 3.553 0 40 CHAB Cc1ccc(OC(=O)c2cc(Cl)cnc2Cl)cc1 166848 DLXKPPIYLXMXBH-UHFFFAOYSA-N 282.126 3.916 0 40 CHAB Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 172393 WNMRWBLANCRRGL-UHFFFAOYSA-N 295.367 3.645 0 40 CHAB CCOC(=O)CSc1nc2c(C)c(C)ccc2cc1C 420918 LIXOYXHENCFCHC-UHFFFAOYSA-N 289.400 3.815 0 40 CHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCCC1 577350 KWLRWTJCDMLSCW-UHFFFAOYSA-N 281.783 3.510 0 40 CHAB C[C@@H]1S[C@@H](c2ccccc2)N(c2ccccc2)C1=O 1560291 HMZGRFPANBVBFF-LRDDRELGSA-N 269.369 3.854 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1ccc(F)cc1 2378827 OOMSAHDJCGZEKE-UHFFFAOYSA-N 280.339 3.912 0 40 CHAB Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S 2562180 UWYHRGOKRNQCNV-UHFFFAOYSA-N 273.386 3.669 0 40 CHAB CC1CCN(C(=S)c2ccc(Br)cc2)CC1 2758579 IKMFRFIHUFFRAB-UHFFFAOYSA-N 298.249 3.857 0 40 CHAB C[C@H]1CCN2C(c3ccc(Cl)cc3)=CSC2=N1 3354337 XTNLAKMNNFQJAZ-VIFPVBQESA-N 264.781 3.835 0 40 CHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](c3ccccc3)[C@@H]1[C@H]2C 4026975 PLYQNNOXZOYWGG-AGTSVGGPSA-N 272.388 3.585 0 40 CHAB CCCCC(=O)Oc1cccc(OC(=O)CCCC)c1 4659231 DNUFITILCDUKED-UHFFFAOYSA-N 278.348 3.878 0 40 CHAB COC(=O)c1cccc2c1N[C@@H]1C[C@@H](C)CC[C@@H]1C2(C)C 4817093 LEVRTGSAASAKJI-CORIIIEPSA-N 287.403 3.981 0 40 CHAB CC(=O)S[C@@H](C)C[C@H]1CCC[C@H](SC(C)=O)C1 4934464 SCLSFVLZHYZIOT-BIMULSAOSA-N 274.451 3.883 0 40 CHAB COC(=O)c1oc2ccccc2c1COc1ccccc1 6948964 SXOVEVNQHQCLAA-UHFFFAOYSA-N 282.295 3.798 0 40 CHAB Cc1ccc(/C=C(\Cl)c2cc(=O)n3ccccc3n2)cc1 9256540 XIWVCNPCRSUHEI-UVTDQMKNSA-N 296.757 3.740 0 40 CHAB CCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 9503229 YOQXVASTAQAQBU-CQSZACIVSA-N 263.337 3.503 0 40 CHAB CCOc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 9816748 XEFMQFNVDQMHIR-AWEZNQCLSA-N 299.370 3.800 0 40 CHAB CC1(C)Cc2cc(CNc3cccc(C(=O)O)c3)ccc2O1 10299671 AQJIKDWHVDMHTF-UHFFFAOYSA-N 297.354 3.710 0 40 CHAB CCOc1ccc(N=Nc2ccc(N)cc2N)cc1 12405254 GAWOVNGQYQVFLI-UHFFFAOYSA-N 256.309 3.665 0 40 CHAB O=C(Nc1ccncc1)Nc1ccc2ccccc2c1 13236469 FZFXAJJLDYAMAP-UHFFFAOYSA-N 263.300 3.879 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1C 13582356 JISCSJUBYQTTHK-UHFFFAOYSA-N 297.354 3.849 0 40 CHAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc(Cl)cc1 16608884 JNOWYVJFSSTAPA-PHIMTYICSA-N 281.787 3.639 0 40 CHAB O=C(Nc1ccccc1)Nc1ccc(N2CCCC2)cc1 18172503 BAVGGYRCNJLOIT-UHFFFAOYSA-N 281.359 3.931 0 40 CHAB Cc1cccc(C)c1-n1c(S)nnc1-c1ccccc1 20590505 LDKIBXQSQOMRRJ-UHFFFAOYSA-N 281.384 3.840 0 40 CHAB CC[C@@H](C)C(=O)N[C@@H](C)c1cc2cccc(OC)c2o1 25197116 GJSQIWVHBATQJN-MNOVXSKESA-N 275.348 3.665 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)NC2CCCCCC2)c1C 32476883 VWHYNVPELZUUML-OAHLLOKOSA-N 289.419 3.910 0 40 CHAB O=C(/C=C\c1ccc(Cl)cc1)Nc1ccc(O)cc1 33380003 ZTZPCKUYTMXVHQ-KMKOMSMNSA-N 273.719 3.698 0 40 CHAB Nc1cccc(-c2csc(NC(=O)C3CCCC3)n2)c1 36736802 CKVORRPZMXOSMZ-UHFFFAOYSA-N 287.388 3.521 0 40 CHAB Clc1ccc(CNc2cccc3[nH]ncc23)cc1 37783917 NKKFXCCLVNYPIH-UHFFFAOYSA-N 257.724 3.828 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NC2CCCCC2)o1 40012153 KEDCQPLLXNZWJB-WFASDCNBSA-N 275.392 3.785 0 40 CHAB Cc1cc(C)c(C)c(OCC(=O)N(C)Cc2ccccc2)c1 40868533 PFLWPHIJMPOPRM-UHFFFAOYSA-N 297.398 3.649 0 40 CHAB Cc1ccc(-c2nc3sc(C4CC4)nn3c2C)cc1 40963968 FYOUYSUHOSKKGM-UHFFFAOYSA-N 269.373 3.952 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 48325082 FARYUCXMWIKSGX-SMDDNHRTSA-N 299.336 3.943 0 40 CHAB CCCCOCCCNC(=O)Nc1ccc2c(c1)CCC2 48326298 SDGKBPYKWRVAJI-UHFFFAOYSA-N 290.407 3.504 0 40 CHAB Cc1ccc(-n2nnnc2N[C@@H](C)c2ccc(C)s2)cc1 53582125 PLRGIHBPIRNERV-LBPRGKRZSA-N 299.403 3.514 0 40 CHAB O=S(=O)(CC1CCCCC1)NC1CCCCCCC1 72230346 SXDQWXWUHFBFLQ-UHFFFAOYSA-N 287.469 3.599 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(F)cc1 72680683 ZHZIVHZMRABAKR-HNNXBMFYSA-N 299.389 3.896 0 40 CHAB O=C([C@H]1CCCS1)N1CCCCC[C@@H]1c1ccco1 75201196 LFNWZZIGPMXOHY-TZMCWYRMSA-N 279.405 3.619 0 40 CHAB CCCCSc1nnc(Cc2ccccc2)n1CC 75323332 UVBWQZMGRRAQDF-UHFFFAOYSA-N 275.421 3.781 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2N 95858020 WDTAJXMIXADUTH-MFXFBURESA-N 291.479 3.717 0 40 CHAB biogenic Cc1nnc(CSCCCOc2c(C)cccc2C)o1 96467857 FMARBSHIDDIEIM-UHFFFAOYSA-N 292.404 3.697 0 40 CHAB CC/C=C(\C)C(=O)Nc1ccc(OC(F)F)cc1 98006909 VNCFGNWMKOOYJZ-RUDMXATFSA-N 255.264 3.583 0 40 CHAB Cc1ccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1Cl 100580457 DOGDBBHAXPJGES-BIMULSAOSA-N 291.778 3.574 0 40 CHAB Fc1ccc(Cl)cc1CNc1nnc(C(F)F)s1 184861421 UINOUDZXMLYNFP-UHFFFAOYSA-N 293.701 3.880 0 40 CHAB Brc1cccc2nc3c(nc12)[C@H]1CC[C@@H]3C1 217621409 SVFPUONBPBATIL-SFYZADRCSA-N 275.149 3.757 0 40 CHAB Cc1ccc2c(c1)c(Br)nn2C(C)C 218822114 MWRUZWOAGWSPPQ-UHFFFAOYSA-N 253.143 3.688 0 40 CHAB Cc1cccc(C[C@@H](OCc2ccccc2)C(=O)O)c1C 225024656 GIKBNIAJTGDEMG-QGZVFWFLSA-N 284.355 3.516 0 40 CHAB C[C@@H](SCC(=O)Nc1ccccc1)c1cccnc1 225690632 XKSLDPFVJLNQCN-GFCCVEGCSA-N 272.373 3.515 0 40 CHAB Cc1ccc([C@@H](O)c2ccc(C(C)C)cc2)cc1N 226292116 ZKRGFCGPOGVSGV-KRWDZBQOSA-N 255.361 3.782 0 40 CHAB CCC[n+]1cccc(-c2nc3cc(C)c(C)cc3o2)c1 226774595 BTSWFIWULGALGX-UHFFFAOYSA-N 267.352 3.809 0 40 CHAB COC(=O)[C@H](C)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260622041 QMNIFENPPOABHJ-OLZOCXBDSA-N 275.392 3.649 0 40 CHAB CCC[C@H]1C[C@H](c2nc(-c3nc(C)cs3)no2)CCO1 390833316 FZAHYOGKOUEEEV-MNOVXSKESA-N 293.392 3.564 0 40 CHAB CC(C)(C)c1csc(NCC2CC2)[n+]1C(C)(C)C 164173 OPAXOSCTKXZKHE-UHFFFAOYSA-O 267.462 3.910 0 40 CHAB COc1ccccc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 201772 UTRVMFKOYIQRGJ-FZKQIMNGSA-N 287.403 3.736 0 40 CHAB CC(C)CNC(=O)c1sccc1-c1ccccc1 40160538 NKVHORKJDHKARH-UHFFFAOYSA-N 259.374 3.801 0 40 CHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1C(C)(C)C 10513302 MLEZAUPJTVRUHX-UHFFFAOYSA-N 299.418 3.516 0 40 CHAB CCCCC1(c2cc(O)cc(O)c2)SCCS1 1769460 OKLFWDQDVNWBGW-UHFFFAOYSA-N 270.419 3.921 0 40 CHAB Cc1ccn2c(NC(=O)C3CC3)c(-c3ccccc3)nc2c1 4032479 MWWYLUBMHOFDBJ-UHFFFAOYSA-N 291.354 3.658 0 40 CHAB CCn1c2ccccc2c2cc(CNCCCNC)ccc21 6871177 KCTRCXNYXLXIOS-UHFFFAOYSA-N 295.430 3.514 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@H](C)c1ccccc1 6964421 DZMCBUUOQFYKRP-OAHLLOKOSA-N 292.382 3.827 0 40 CHAB Cc1ccccc1NC(=O)N1CCc2ccccc21 2381287 KGAUBAQPWSWDGM-UHFFFAOYSA-N 252.317 3.590 0 40 CHAB CC(C)CCNC(=O)CSCCCc1ccccc1 46806619 JWFDGWJVWUXVFK-UHFFFAOYSA-N 279.449 3.515 0 40 CHAB Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 35332789 WVTLRMVCVPDQTL-UHFFFAOYSA-N 253.280 3.700 0 40 CHAB in-vitro CCCCCCn1cnc2sc(CC)cc2c1=O 1892805 SMRGBBSLGXGJBQ-UHFFFAOYSA-N 264.394 3.601 0 40 CHAB CC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 7069094 GGUKZICGLYUQNU-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB Cc1ccc(N2C(=O)C(F)(F)[C@@H]2c2ccccc2)cc1 3231211 SRIZFZMBZNYAFE-AWEZNQCLSA-N 273.282 3.718 0 40 CHAB O=C(OCc1cc(-c2ccccc2)no1)c1cccs1 12814343 VGTGSXVUVKYPNF-UHFFFAOYSA-N 285.324 3.760 0 40 CHAB O=C(Nc1ccccc1OC(F)F)c1ccc(F)cc1F 7407155 HBARRPHVZLBNJB-UHFFFAOYSA-N 299.223 3.819 0 40 CHAB Cc1ccc(C)c(NC(=O)C2=Cc3ccccc3OC2)c1 5034234 WYFLJMAHZHVWMJ-UHFFFAOYSA-N 279.339 3.718 0 40 CHAB COC[C@@H](C)Nc1nc(-c2ccc(Cl)s2)cs1 7763439 BDYZMBPLCACSHG-SSDOTTSWSA-N 288.825 3.972 0 40 CHAB CC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12 14379010 WKBIVHUGTZJERA-UHFFFAOYSA-N 292.338 3.552 0 40 CHAB O=C(CSCc1ccccc1)Nc1c(F)cccc1F 4836585 IILKKDGCCYUEHM-UHFFFAOYSA-N 293.338 3.837 0 40 CHAB CC1=C[C@H](C)[C@H](CN2CCO[C@@H]2C(C)C)[C@@H](C)C1 61854985 ZINAYKAEPVIUEM-YHUYYLMFSA-N 251.414 3.539 0 40 CHAB CCn1ccnc1SCc1coc(-c2cccs2)n1 95947063 MJRCGRVLFCGPED-UHFFFAOYSA-N 291.401 3.912 0 40 CHAB COc1cc(F)ccc1NC(=O)c1ccc2c(c1)CCC2 25310272 QMQAAOLBMISLKF-UHFFFAOYSA-N 285.318 3.575 0 40 CHAB ClC1(Cl)C[C@@H]1CCN1CCCC[C@H]1c1cn[nH]c1 521396165 YJRWZUIZISCCAU-RYUDHWBXSA-N 288.222 3.521 0 40 CHAB C[C@H](N)CCc1ccc(-c2cncc(C(F)F)c2)cc1 521398666 XKUOSNOBTSLZGR-NSHDSACASA-N 276.330 3.966 0 40 CHAB CC(C)CN1CCCC[C@H]1c1cccnc1N1CCCC1 72216005 SGBPCIWUUUYJDB-KRWDZBQOSA-N 287.451 3.865 0 40 CHAB COc1cc(C(=O)NCc2ccc(F)cc2)cc2occc12 72240095 XKPAGRZSLBPAKT-UHFFFAOYSA-N 299.301 3.511 0 40 CHAB COc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225637065 AIUJEEPHBOLOMB-PXAZEXFGSA-N 291.391 3.537 0 40 CHAB CCCCOc1cccc([C@@H](C)NC[C@H]2CCCO2)c1 225167386 UGDAUCKIQJGURM-RHSMWYFYSA-N 277.408 3.695 0 40 CHAB Cc1ccc(C)c(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 225320079 XJQAVJKSOFJMHN-UMVBOHGHSA-N 274.433 3.778 0 40 CHAB CC(C)c1cc(Br)ccc1OC1CCNCC1 42774628 MBAUAAPYQXMNIM-UHFFFAOYSA-N 298.224 3.703 0 40 CHAB Cc1cc(Br)c2oc(-c3cccnc3)nc2c1 41569588 WEDKIIMBJOTRQQ-UHFFFAOYSA-N 289.132 3.961 0 40 CHAB COc1cccc(NC(=O)NCCCc2ccc(C)cc2)c1 225761033 XPIFLBMPFSCTBV-UHFFFAOYSA-N 298.386 3.758 0 40 CHAB C[C@@H](O)c1nc2ccc(Cl)cc2n1Cc1ccccc1 40417829 RLSRMENLMMLDTK-LLVKDONJSA-N 286.762 3.791 0 40 CHAB CCOC(=O)c1ccc(Nc2cc(C)cc(C)c2)c(N)c1 41081860 KCOFNFDGSWYZAT-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB Cc1ccc(/C=C/C(=O)NCCSC2CCCC2)cc1 223779824 SPOBCKBFZJUBRC-ZHACJKMWSA-N 289.444 3.800 0 40 CHAB CC(C)(C)NC(=S)Nc1ccccc1Br 243034991 ICGXEQNBQASHKA-UHFFFAOYSA-N 287.226 3.534 0 40 CHAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NC1CCCC1 257173352 KZEAUMGQWYYMNY-UHFFFAOYSA-N 298.361 3.869 0 40 CHAB COC(=O)CCCCC(=O)c1cccc(C(C)C)c1 575358602 VQEBFHMUBILTBY-UHFFFAOYSA-N 262.349 3.726 0 40 CHAB CC(C)(C)c1ccc(Nc2ncccc2C(=O)O)cc1 13090452 CAICFCLYXBREEU-UHFFFAOYSA-N 270.332 3.821 0 40 CHAB Cc1nc(SCC(=O)c2ccccc2)c2ccccc2n1 4241779 IOFITXRVHOUWPT-UHFFFAOYSA-N 294.379 3.913 0 40 CHAB Cc1ccc(NC(=O)Cc2cccs2)c2cccnc12 31091693 CEMZGIQJPVIFMM-UHFFFAOYSA-N 282.368 3.786 0 40 CHAB CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C)s2)c1 20187661 GGRQPYCMIUYYIG-GFCCVEGCSA-N 288.416 3.866 0 40 CHAB Cc1cccc(-n2nc(C)c(-c3ccccc3)c2N)c1 20636400 SESCWGPNFLJWMZ-UHFFFAOYSA-N 263.344 3.738 0 40 CHAB CC[C@H](C(=O)c1ccc(C(=O)OC)cc1)c1ccccc1 575362549 XHWAXRNDHCEBIQ-INIZCTEOSA-N 282.339 3.850 0 40 CHAB COC(=O)CCCCC(=O)c1cc(Cl)cc(Cl)c1 575357911 GYOUHJLQKDKQRI-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB O=c1oc(-c2ccccc2)nc2cc(Cl)ccc12 1045022 PXIUCZXQBGRZNO-UHFFFAOYSA-N 257.676 3.508 0 40 CHAB Cc1cc(C(=O)Nc2ccc3ccccc3c2)co1 1027484 IJXNSGQNXCZQPZ-UHFFFAOYSA-N 251.285 3.994 0 40 CHAB O=C(OC1CCCC1)c1ccc(Br)cc1 3258441 ZCUXPNYRVKZVAH-UHFFFAOYSA-N 269.138 3.549 0 40 CHAB C[C@@H]1C[C@@H](C)CN(CCOCCSc2ccccc2)C1 4568469 RHUQQLBVJSNVLJ-HZPDHXFCSA-N 293.476 3.773 0 40 CHAB c1ccc2oc(-c3nnc(-c4ccncc4)o3)cc2c1 20730898 FGKJDORAVBAXFQ-UHFFFAOYSA-N 263.256 3.545 0 40 CHAB Cc1cccc(NC(=S)Nc2cccnc2)c1C 6331788 FPPWBBUQTLJTRO-UHFFFAOYSA-N 257.362 3.507 0 40 CHAB Cc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 6504674 OLHBLRAADXWDMO-QGZVFWFLSA-N 265.356 3.802 0 40 CHAB C[C@@H]1CCC[C@H](NC(=S)NCc2ccc(F)cc2)[C@@H]1C 7351831 YFBJGYBZUDJHJR-JMSVASOKSA-N 294.439 3.615 0 40 CHAB Nc1nc(Cl)cc(Nc2ccc(Cl)c(Cl)c2)n1 1675992 IPNLIYUZWFQPKO-UHFFFAOYSA-N 289.553 3.763 0 40 CHAB CC(C)CCNC(=O)Cc1cccc2ccccc12 363882 LSHPFNVFNDMKRB-UHFFFAOYSA-N 255.361 3.545 0 40 CHAB O=C(Nc1nccs1)c1ccc(SC(F)F)cc1 11610953 QEHMNMYQUVHNMI-UHFFFAOYSA-N 286.328 3.710 0 40 CHAB COC[C@@H](C)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1 7763423 SUMJWYUZBPELCH-MRVPVSSYSA-N 298.358 3.844 0 40 CHAB C[C@@]12CC[C@H](C1)[C@](O)(c1ccccc1)[C@]2(O)c1ccccc1 104117128 MFXCNFWQMUZNLU-WTGUMLROSA-N 294.394 3.582 0 40 CHAB CSc1nc2ccc(NC(=O)c3ccco3)cc2s1 2726338 NTDRTSAQTBRJNC-UHFFFAOYSA-N 290.369 3.864 0 40 CHAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@H]1c1ccsc1 46913152 JHRHAPLHBBIHKN-LBPRGKRZSA-N 280.780 3.707 0 40 CHAB c1ccc2c(c1)C[C@H](CNCc1csc3ccccc13)O2 47848621 ZLHJVPIQJYYSEJ-OAHLLOKOSA-N 295.407 3.995 0 40 CHAB CCCCN(C)C(=O)Nc1cc(NC(=O)CC)ccc1C 48258484 IUBPKPJUOXLTGE-UHFFFAOYSA-N 291.395 3.607 0 40 CHAB Cc1nc2cc(NC(=O)c3ccccc3F)ccc2o1 37976442 DMMULMSEHYMDNW-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccccc2F)cc1 3415173 NWKJIKWNGUFQGZ-UHFFFAOYSA-N 273.307 3.867 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 49497012 DYXUCFBSRUIVBS-KCJUWKMLSA-N 272.373 3.768 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 6253786 JTMVKNGQPFBSBJ-ZAOZSLGCSA-N 275.436 3.707 0 40 CHAB c1ccc2c(SCc3ccc4c(c3)OCO4)ncnc2c1 8726684 JZGDGCUQPVBTFB-UHFFFAOYSA-N 296.351 3.651 0 40 CHAB Cc1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)no1 69558863 YIOLVWNHULCFCK-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB Cc1ccc(SCCNC(=O)CCc2ccccc2)cc1 4691425 DQGBQLJDYQMADC-UHFFFAOYSA-N 299.439 3.836 0 40 CHAB CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(C)cc(C)n1 97378585 JTTBFPOOWMNTEB-HNNXBMFYSA-N 298.390 3.708 0 40 CHAB C[C@H]1CCCC[C@H]1Nc1cccc(N2CCOCC2)c1 95360927 RZFNJOKDWRMMOI-WMLDXEAASA-N 274.408 3.514 0 40 CHAB CC[C@H]1CC[C@H](C(=O)Nc2ccc(SC)c(Cl)c2)O1 84735454 LOZZKPFOIOPMNN-CMPLNLGQSA-N 299.823 3.958 0 40 CHAB Cc1nc(CCN[C@H](c2ccc(F)cn2)C(C)C)cs1 95466841 FHBRVPAJVUWYQZ-HNNXBMFYSA-N 293.411 3.515 0 40 CHAB C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccncc1 27407808 BAHRTODANPYGMH-GFCCVEGCSA-N 288.778 3.545 0 40 CHAB OC1=N[C@H](c2nc(-c3ccccc3)cs2)N2CCCC[C@H]12 78758994 YCOVPTWWRJLCTA-KGLIPLIRSA-N 299.399 3.633 0 40 CHAB FC(F)c1nnc(SCc2cccc(Cl)c2)[nH]1 216927224 NIDJTIVQIPHRJJ-UHFFFAOYSA-N 275.711 3.688 0 40 CHAB Cc1c(CO)c2ccccc2n1C(=O)c1ccccc1Cl 216952524 BPWNPMPIPXKPIV-UHFFFAOYSA-N 299.757 3.784 0 40 CHAB CCC[C@@H](C)Oc1ccc2c(c1)c(C=O)c(C)n2C 217771130 KCLIZZGNIDUFAJ-LLVKDONJSA-N 259.349 3.867 0 40 CHAB CC[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1C 225540852 PVHHWYNYPQEDKO-QGZVFWFLSA-N 285.362 3.944 0 40 CHAB CCOc1ccccc1NC(=O)Cc1cc(C)ccc1C 44900687 DFPJSVQZNFDAFD-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1ccnc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 225202696 CQHMBRPVKYIOBT-NSHDSACASA-N 289.379 3.577 0 40 CHAB CCOC(=O)c1cc(Cl)cnc1NCc1ccccc1 40564565 YIQAPNZUZCNZAV-UHFFFAOYSA-N 290.750 3.524 0 40 CHAB Cc1noc(C)c1N(C)C(=O)Nc1ccccc1Cl 84059752 XWBSIGQQEDKJIE-UHFFFAOYSA-N 279.727 3.613 0 40 CHAB O=C(c1ccccn1)c1cccc(Cl)c1Cl 43210494 OPIMGTUSLYBKOA-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CCCC2)c1 47209557 CPUJMOIMAAEGDY-CQSZACIVSA-N 289.419 3.945 0 40 CHAB Cc1c(N)cccc1[C@H](O)c1ccc(C(C)C)cc1 226291757 DCVRZOKEGHHZLY-QGZVFWFLSA-N 255.361 3.782 0 40 CHAB CC(C)c1ccc([S@@](=O)Cc2ccccn2)cc1 195579579 OLRVWZAUKIACNS-SFHVURJKSA-N 259.374 3.513 0 40 CHAB COc1ccc(CNC(=O)CCc2ccc(C)c(C)c2)cc1 96621682 CSGODRXKMSYZJS-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB Nc1cc(Br)cc(-c2nc3ccccc3o2)c1 147312861 AMZBYUCOXKDJFJ-UHFFFAOYSA-N 289.132 3.840 0 40 CHAB Cc1cc(C[C@@H](C)N[C@H](C)c2cc3ccccc3o2)n[nH]1 90532040 KEFRMYALNWOVLA-DGCLKSJQSA-N 283.375 3.746 0 40 CHAB Cc1nn(CC(C)C)cc1NCc1ccc(F)cc1 256054181 VFVUYWFJARGCCY-UHFFFAOYSA-N 261.344 3.599 0 40 CHAB CC(C)(C)c1ccc(C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 95634002 FCMRRKGQHMNKGE-HUUCEWRRSA-N 286.371 3.834 0 40 CHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(Cl)c(F)c1 95634042 ONEKAMQWORJZKD-NXEZZACHSA-N 284.714 3.553 0 40 CHAB O=C(Nc1cccc(Cl)c1Cl)c1cccnc1 29320 BLTOILCAKMDALY-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1ccc(SC(=O)c2ccnc(Cl)c2)cc1 166808 JJKUEWFMTPJZQH-UHFFFAOYSA-N 263.749 3.976 0 40 CHAB Cc1ccc(Oc2ccc(Cl)nn2)c2c1CCC2 163558 RSMSJGIXSYWGDC-UHFFFAOYSA-N 260.724 3.719 0 40 CHAB COc1ccc(-c2nn(-c3ccccc3)cc2C=O)c(C)c1 11764947 ISMKSZMKEKGRTI-UHFFFAOYSA-N 292.338 3.669 0 40 CHAB CC1[C@H](C(=O)c2ccccc2)[C@@H]1C(=O)c1ccccc1 18059549 GQQMNGZUUPRBMD-SFESLNEESA-N 264.324 3.634 0 40 CHAB C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@H]1CCC2=O)CC(=O)CC4 253618122 RORYLAUXKSWMQL-HPFXQQBRSA-N 272.388 3.841 0 40 CHAB O=C(O)c1cccnc1Nc1cc(Cl)ccc1Cl 21016429 MUDPEZYGYRIJHF-UHFFFAOYSA-N 283.114 3.830 0 40 CHAB C[C@H]1CCC[C@H](C)N1CCCCOc1cccc(C=O)c1 217795127 DMMOKWRPHDEISO-HOTGVXAUSA-N 289.419 3.921 0 40 CHAB O=C(O)c1cc([C@@H]2C[C@H]3C=C[C@H]2C3)nc2ccccc12 100018459 QKDDGOCUYOOPRI-GMXVVIOVSA-N 265.312 3.613 0 40 CHAB Cc1cccc(-c2nc3cc(C(=O)O)ccc3o2)c1 20222859 UKMZPWMYWJCHRM-UHFFFAOYSA-N 253.257 3.501 0 40 CHAB Nc1cccc(-c2ccccc2OC(F)(F)F)c1 20281336 KHBNVBGLFTZFQR-UHFFFAOYSA-N 253.223 3.834 0 40 CHAB Cc1nc2ccc(NC(=O)[C@H]3CC=CCC3)cc2s1 7670302 KJVUEALNXAUQOD-NSHDSACASA-N 272.373 3.900 0 40 CHAB Cc1ccc2c(CN3CCCC[C@@H]3C)cc(=O)oc2c1C 2355063 MEUUBMIEFPFTSQ-ZDUSSCGKSA-N 285.387 3.784 0 40 CHAB O=C(c1ccc(F)c(F)c1)N1CCCc2ccccc21 796966 HTVWIURVPLJJDY-UHFFFAOYSA-N 273.282 3.558 0 40 CHAB O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)CCC2 20457888 MVWHJENOLYOEJD-UHFFFAOYSA-N 284.334 3.636 0 40 CHAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 3422944 FSLCNPSMSQZHPE-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB CC[C@H](N[C@@H](C)c1ccc(C)o1)c1c(C)noc1C 90886175 JJGIQAJUBPSIPV-GWCFXTLKSA-N 262.353 3.995 0 40 CHAB O[C@H](CNc1ccc(Br)cc1)c1ccccc1 32152565 XFRALYJTWIROQI-CQSZACIVSA-N 292.176 3.595 0 40 CHAB in-vitro Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1cccnc1 11768895 NEMBMHGOBLPQQE-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 383702 NBVXHMSLWQURSM-UHFFFAOYSA-N 291.144 3.977 0 40 CHAB CC(C)Oc1ccc(NC(=S)NC(C)(C)C)cc1 54938119 JUYVOSLWRULVTQ-UHFFFAOYSA-N 266.410 3.559 0 40 CHAB Cc1occc1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 32931092 CGUGAHUKMDCNBX-VIFPVBQESA-N 295.285 3.680 0 40 CHAB O=C(Nc1cc(F)cc(F)c1)N1CCC[C@H]1C1CCC1 102952438 PBFJKCNEKJMNSP-AWEZNQCLSA-N 280.318 3.761 0 40 CHAB CC(C)n1ncc2c(C(=O)O)cc(-c3ccccc3F)nc21 22224298 MLDCSHBUAJRQJR-UHFFFAOYSA-N 299.305 3.517 0 40 CHAB O=C(Cc1noc2ccccc12)Nc1ccc(Cl)cc1 1018165 FWAHBBQYZNRCPK-UHFFFAOYSA-N 286.718 3.662 0 40 CHAB CC[C@H](C)c1ccc(O[C@@H]2CCNC2)c(Cl)c1 42775089 RJAVNZAOVOORKZ-CMPLNLGQSA-N 253.773 3.594 0 40 CHAB in-vitro C[C@@H]1Oc2ccccc2N(Cc2ccccc2Cl)C1=O 1328515 XESORBQACFGSND-NSHDSACASA-N 287.746 3.654 0 40 CHAB O=Cc1ccc(C(=O)OCc2ccccc2Cl)cc1 58974511 YDFXRSXHEUOEEO-UHFFFAOYSA-N 274.703 3.510 0 40 CHAB O=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccccc21 3135502 VJURTBBMRUNASU-UHFFFAOYSA-N 287.318 3.569 0 40 CHAB O=C(O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 34939268 JJVOPJNIGSYPNV-NXEZZACHSA-N 278.739 3.575 0 40 CHAB in-vitro Cc1cc(-c2csc(NC(=O)c3cccnc3)n2)c(C)o1 58150068 JJIXTYRTVGENEU-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CCCCc1nc2ccccc2n1CC(=O)C(C)(C)C 12520513 ANSNWGGPGOYVNU-UHFFFAOYSA-N 272.392 3.994 0 40 CHAB Cc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cn1 45029059 IMQDRWDWBXMFJF-UHFFFAOYSA-N 265.234 3.640 0 40 CHAB CC(C)[C@@H](C)NC(=O)c1cc2cc(Cl)ccc2o1 17056564 TVEZUKAQDBIJHX-SECBINFHSA-N 265.740 3.861 0 40 CHAB CCCCCCNC(=O)Nc1nc2ccccc2s1 6264043 KESBMEGTLWDJME-UHFFFAOYSA-N 277.393 3.998 0 40 CHAB Cc1ccccc1COc1cccc(-c2nnco2)c1 65607414 ITZVYWZJGQLCNY-UHFFFAOYSA-N 266.300 3.624 0 40 CHAB CCOC(=O)[C@@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 5410802 FLHPYCHSUBYUPD-CQSZACIVSA-N 284.355 3.992 0 40 CHAB CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14397976 MNTDDSHYMSKZFV-OLZOCXBDSA-N 277.408 3.666 0 40 CHAB COc1ccc(-c2nc(-c3ccccc3C)no2)cc1 4672310 NRYUAIFNRQXJMH-UHFFFAOYSA-N 266.300 3.721 0 40 CHAB CCCCCOc1ccc(CSc2nc(C)n[nH]2)cc1 5735296 OBWLWVWUWCTMNJ-UHFFFAOYSA-N 291.420 3.974 0 40 CHAB Cc1cc(SCC(=O)c2ccc[nH]2)nc2ccccc12 6831445 UBEZPGIEIHLOOE-UHFFFAOYSA-N 282.368 3.846 0 40 CHAB C[C@@H](CCc1ccccc1)CNc1cccc(CO)c1 97105326 MCLBUYHFNINGBP-HNNXBMFYSA-N 269.388 3.860 0 40 CHAB Cc1ccc(CN2CCn3c(-c4ccco4)cnc3C2)s1 306139006 SMXBFDUXEORHNK-UHFFFAOYSA-N 299.399 3.529 0 40 CHAB O=Cc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1 514278989 ZQBWPUQDQJPKFQ-UHFFFAOYSA-N 269.197 3.719 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNC2CCCCC2)C1 76330412 PECOMPUWVKAXGD-AWEZNQCLSA-N 296.455 3.556 0 40 CHAB OC1=Nc2c(cnn2C2CCCC2)[C@H](c2cccnc2)C1 71283053 IGIRCEVWTOOPLT-ZDUSSCGKSA-N 282.347 3.517 0 40 CHAB c1ccc(Nc2ncccc2[C@@H]2CCCCN2)cc1 72214150 FTBBXBTXDNOLIR-HNNXBMFYSA-N 253.349 3.640 0 40 CHAB Cc1ccc(C(=O)c2cc(Cl)ccc2Cl)cn1 45029099 LZQVELSFGRIXBM-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CCCN1CCC[C@@H]1c1ccc(N2CCCCC2)nc1C 72219281 IOJSXICHYZJXEK-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB Fc1cccc(-c2nc(-c3cccc(Cl)c3)n[nH]2)c1 40164167 WOTOKQKGEPZZRX-UHFFFAOYSA-N 273.698 3.931 0 40 CHAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225607945 ZSLOLSGJYOIZKF-KRWDZBQOSA-N 293.407 3.783 0 40 CHAB CCOc1ccc([C@@H](O)c2cccc(Cl)c2)cc1 40244440 HBFUMNQQAKQORX-OAHLLOKOSA-N 262.736 3.820 0 40 CHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCC(C)C 44901584 BYVBOLUVGXVPPN-ZDUSSCGKSA-N 283.799 3.660 0 40 CHAB CC(C)Oc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1 226273467 UHMNGPSYODCIKR-CYBMUJFWSA-N 299.370 3.779 0 40 CHAB O=C1[C@@H](c2ccccc2)[C@H]2CC[C@H](O2)[C@H]1c1ccccc1 45027631 NCLNSCDVGHOETK-FZDBZEDMSA-N 278.351 3.684 0 40 CHAB Fc1ccc2ccccc2c1I 88190203 ARHVJMCTZHYRPB-UHFFFAOYSA-N 272.060 3.584 0 40 CHAB CC(=O)c1csc(Nc2ccccc2Cl)n1 122641 CKTQMHYEPIBWOE-UHFFFAOYSA-N 252.726 3.743 0 40 CHAB COc1ccc2[nH]c(C(F)F)c(C(C)C)c(=O)c2c1 685938213 LSZKWRORMHTZFK-UHFFFAOYSA-N 267.275 3.598 0 40 CHAB O=C(c1cnco1)N(Cc1ccccc1)Cc1ccccc1 224060771 HXFWTUUTPWCVNR-UHFFFAOYSA-N 292.338 3.517 0 40 CHAB CNC(=O)O[C@@H](C)CN(c1ccccc1)c1ccccc1 5423414 ZHCVFYNZABEGLU-AWEZNQCLSA-N 284.359 3.569 0 40 CHAB CC[C@H](C(=O)NCc1ccccc1F)c1ccccc1 5630867 LXAGTOOOCQVLCC-HNNXBMFYSA-N 271.335 3.636 0 40 CHAB c1ccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1 19372002 OGHBOGBOSGIMDF-QGZVFWFLSA-N 277.371 3.900 0 40 CHAB Cc1ccccc1[C@@H]1CCN(C(=O)CC2CC2)CCS1 219291235 QVAFZUQXNKRBJM-INIZCTEOSA-N 289.444 3.802 0 40 CHAB O=C(Nc1ccccc1Cc1ccccc1)C1CC1 6495961 JIGAJDOCFMHLNI-UHFFFAOYSA-N 251.329 3.626 0 40 CHAB Cc1n[nH]c(C)c1NC(=O)CCCC1CCCCC1 35134517 MHNQFCJSVCIVGI-UHFFFAOYSA-N 263.385 3.716 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(OC(C)(C)C)cc1 575357811 RQRZGIMAYGDSJH-UHFFFAOYSA-N 292.375 3.780 0 40 CHAB COc1cccc2cc(-c3ccc(C)cc3)c(=O)oc12 39001146 UVXVVLCFJBJNAN-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)CCCc1cccs1 40161050 YOMWNDNDIYKTRJ-JSGCOSHPSA-N 265.422 3.766 0 40 CHAB FC(F)(F)c1ccn(CCOc2cccc(Cl)c2)n1 60059120 JHWLVKGUOWJQGG-UHFFFAOYSA-N 290.672 3.634 0 40 CHAB c1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1 411340 WFUHAMNOWNMQSC-UHFFFAOYSA-N 288.310 3.589 0 40 CHAB CCOC(=O)NCC(C)(c1ccccc1)c1ccccc1 1557336 LPAUJIKDOCPKOE-UHFFFAOYSA-N 283.371 3.739 0 40 CHAB CCOC(=O)[C@@H](CNCc1ccccc1)C1CCCCC1 1593555 AJDXXPIOSIREGY-KRWDZBQOSA-N 289.419 3.536 0 40 CHAB O=C(CCCc1ccccc1)Nc1cccnc1Cl 365454 ULGFXHXHEUNZHW-UHFFFAOYSA-N 274.751 3.696 0 40 CHAB COc1ccc(CC(=O)c2ccc(Cl)cc2)cc1 3171302 CVONNCNINLEUKH-UHFFFAOYSA-N 260.720 3.774 0 40 CHAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC1CCCC1 6010730 QAIYNIWNODPXIJ-CYBMUJFWSA-N 283.371 3.666 0 40 CHAB CCC[C@H](C)NC(=O)c1nc(-c2ccccc2)oc1C 32962425 OKJFYZVWFDTBOV-NSHDSACASA-N 272.348 3.568 0 40 CHAB CC(=O)Nc1sc(Cl)cc1C(=O)Nc1ccccc1 480879 XITIGRIAGROYDD-UHFFFAOYSA-N 294.763 3.612 0 40 CHAB CCC(CC)c1nnc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)s1 102938404 PVNYSVQDPSWGBM-ZMLRMANQSA-N 291.420 3.592 0 40 CHAB C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1cccs1 23265453 JKHHCUCCEFBQEY-XCBNKYQSSA-N 278.204 3.509 0 40 CHAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCC1 23818562 YHEZFHYTJGREEU-UHFFFAOYSA-N 294.379 3.809 0 40 CHAB O=C1CCC(c2ccc(Br)cc2)CC1 34183490 BYVCFGNCJKEOOF-UHFFFAOYSA-N 253.139 3.676 0 40 CHAB Cc1cc(NC(=O)C(C)(C)C)ccc1-c1ccc(CO)o1 20136907 LMJDEYYDOKEBCD-UHFFFAOYSA-N 287.359 3.732 0 40 CHAB CC(C)(NCc1noc(C2CC2)n1)c1ccc(Cl)cc1 57846802 JYFLZXVQLTZLJK-UHFFFAOYSA-N 291.782 3.625 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccccc1O)C2 100477449 GAZVSNAEUUUDEK-KHIZAZIESA-N 274.360 3.764 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccccc1 3237514 QBMMWYHVBZEFSZ-CHWSQXEVSA-N 263.406 3.568 0 40 CHAB C[C@@H](C1CC1)N(C)CC(=O)Nc1cccc2ccccc12 58368365 AKYPDZSMRHUDOV-ZDUSSCGKSA-N 282.387 3.509 0 40 CHAB CC(C)(C)c1csc(NC(=O)c2cc(F)cc(F)c2)n1 3326880 ZGWAUAQYBVWROV-UHFFFAOYSA-N 296.342 3.971 0 40 CHAB C[C@H]1Cc2ccccc2N1c1nc2ccccc2o1 48546228 PZLHMILRBBUNAR-NSHDSACASA-N 250.301 3.911 0 40 CHAB COc1ccccc1CC(=O)Nc1cccc(Cl)c1 3548275 IUJYLZGSCUWAHG-UHFFFAOYSA-N 275.735 3.530 0 40 CHAB O=C(Nc1cccc(Cl)c1)C1=Cc2ccccc2OC1 5034238 YOSBPMPVIVSNRW-UHFFFAOYSA-N 285.730 3.755 0 40 CHAB CCCc1cnc(C)nc1-c1cccc2cnccc12 65396173 JEHDYYPBFSRIFC-UHFFFAOYSA-N 263.344 3.953 0 40 CHAB Clc1ccc(CN2CCCN3CCC[C@@H]3C2)c(Cl)c1 65577724 QMMKWROYXVSAMW-CQSZACIVSA-N 299.245 3.664 0 40 CHAB CCCCCSc1cc(OC)c(CC(=O)O)cc1OC 5464220 CAYSQLKLNHZRHV-UHFFFAOYSA-N 298.404 3.613 0 40 CHAB Cc1cnc(NC(=O)c2cc3ccccc3cc2O)s1 6969083 RXRGWVDDPSQSAT-UHFFFAOYSA-N 284.340 3.563 0 40 CHAB CC(C)n1ccc(CSc2nncc3ccccc23)n1 70008196 DHHBNZOBQVPZMK-UHFFFAOYSA-N 284.388 3.700 0 40 CHAB CCCCC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl 84742872 XFBDOGVTXQEQIJ-YPMHNXCESA-N 251.757 3.502 0 40 CHAB Cc1ccc(-c2c(C)nn3c(C)cc(C)nc23)cc1 22607332 VJVGITXVFPDUPE-UHFFFAOYSA-N 251.333 3.630 0 40 CHAB CN(C(=O)[C@H]1C[C@@H]1c1ccco1)c1nc2ccccc2s1 89365676 QSGJOKJLXMZEJZ-QWRGUYRKSA-N 298.367 3.656 0 40 CHAB O=C(O)C/C=C/c1cccc(OCc2ccccc2)c1 62710455 NTVAVWFPUUGGRS-WEVVVXLNSA-N 268.312 3.754 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2 4215283 CVCDJRPXEWJAAY-UVSUZTNJSA-N 290.447 3.671 0 40 CHAB biogenic,in-vitro CC(C)c1ccc(C(=O)NCCc2cccs2)cc1 36622747 YVKLFYZZEJXFCY-UHFFFAOYSA-N 273.401 3.844 0 40 CHAB O=C(O)c1ccc(OCc2cccc3ccccc23)cc1O 216754950 RFLQRAOFVUGVDH-UHFFFAOYSA-N 294.306 3.823 0 40 CHAB CN(C(=O)c1nc2ccccc2s1)c1ccccc1 74732119 HOBQKXBRXSIWGK-UHFFFAOYSA-N 268.341 3.573 0 40 CHAB CC[C@H](N)c1cnc(Sc2ccccc2)c(C)c1 72222152 LQGNYGPUZJQSKM-AWEZNQCLSA-N 258.390 3.951 0 40 CHAB C[C@H](Sc1ccc(-n2cccn2)nn1)c1ccccc1 70635245 MJVMWCNLRICSBP-LBPRGKRZSA-N 282.372 3.516 0 40 CHAB CC(C)[C@H](N)C(=O)N(C(C)C)[C@H](C)c1cccc(Cl)c1 79418696 HOUGXEVCNRRANU-DOMZBBRYSA-N 296.842 3.621 0 40 CHAB O=C(c1cccc(-c2nc3ccccc3o2)c1)N1CCCC1 41127519 KBEZERJWHRRAQC-UHFFFAOYSA-N 292.338 3.731 0 40 CHAB COc1ccc(C(=O)NC(C(C)C)C(C)C)cc1Cl 223013290 UWRKFRCVCDXDBZ-UHFFFAOYSA-N 283.799 3.759 0 40 CHAB CCOc1ccc([C@H](CC)NCC(C)C)cc1OC 222638692 WSXRVZNIMYLIGZ-AWEZNQCLSA-N 265.397 3.791 0 40 CHAB CCc1nc2ccc(NC(=S)NCC(C)C)cc2s1 225205925 AKSPGMJCRRJEEG-UHFFFAOYSA-N 293.461 3.801 0 40 CHAB COc1ccc(Br)cc1C1(C#N)CCCC1 149146518 JAFYXLCESIEQIC-UHFFFAOYSA-N 280.165 3.793 0 40 CHAB CCc1ccccc1C(=O)c1c(F)cccc1OC 95916884 VYPFNPSLYITYPA-UHFFFAOYSA-N 258.292 3.628 0 40 CHAB CC(C)(C)OC(=O)CC(=O)c1ccc(C(F)(F)F)cc1 575408788 XJBLVJMKLPJRFN-UHFFFAOYSA-N 288.265 3.620 0 40 CHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)C1CCC1 15497609 HDMTYPJALZEHJU-LBPRGKRZSA-N 281.808 3.793 0 40 CHAB COCCNc1nc(-c2cccc(C)c2)cc2ncccc12 19235312 VXVCEQKEHLHGBY-UHFFFAOYSA-N 293.370 3.664 0 40 CHAB O=C(Nc1ccncc1)c1ncoc1-c1ccccc1Cl 19368294 FGBNBOLCFWFESU-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CC(=O)c1cccc(NC(=O)c2ccc(C)c(F)c2)c1 7951628 NISBXSTUGNDLRM-UHFFFAOYSA-N 271.291 3.589 0 40 CHAB C[C@H](c1ccccc1)N(C)C(=O)NCc1ccccc1 9961029 SYGQCIJZXHYIHO-CQSZACIVSA-N 268.360 3.589 0 40 CHAB CCCCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138165 VXAAQOLFPZTIOX-UHFFFAOYSA-N 284.403 3.853 0 40 CHAB Cc1oncc1C(=O)NCc1ccccc1-c1ccsc1 206872882 KKYGHKWDQINYHI-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB O=C(c1ccoc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 208001866 NMKNEZPGWRFCBM-CQSZACIVSA-N 287.334 3.829 0 40 CHAB C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cccnc2)C1 98014241 TULAAQGZLPNOMG-BLLLJJGKSA-N 299.349 3.836 0 40 CHAB Cc1ccc(OC(C)(C)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 20367911 PBTKMRKQBDCHML-GJZGRUSLSA-N 289.419 3.657 0 40 CHAB O=C1Nc2ccccc2[C@H]1Cc1ccc2ncccc2c1 100793547 FPEZBRSBCHWZEF-OAHLLOKOSA-N 274.323 3.513 0 40 CHAB biogenic CCOC(=O)c1cc(-c2cccc(Cl)c2Cl)on1 1857794011 UFCCEIPTFXJWRX-UHFFFAOYSA-N 286.114 3.825 0 40 CHAB c1ccc(-c2ccccc2NC2=NCCS2)cc1 98723 DMRHCJDVMSJANJ-UHFFFAOYSA-N 254.358 3.868 0 40 CHAB Cc1ccc(C)c(CN2C(=O)[C@H](C)Oc3ccc(C)cc32)c1 1328408 DSYPIEILNKNBHR-HNNXBMFYSA-N 295.382 3.926 0 40 CHAB Cc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1 1372380 MESQQJVXXQIPJC-CYBMUJFWSA-N 274.389 3.709 0 40 CHAB COc1cccc(OC)c1C(=O)Oc1cc(C)ccc1C 363049 IJJPTRLBANLPBW-UHFFFAOYSA-N 286.327 3.540 0 40 CHAB CCCCCCNC(=O)c1ccc(NC(=O)CCC)cc1 4696271 UZCYAVYQMFHTKE-UHFFFAOYSA-N 290.407 3.735 0 40 CHAB CCNC(=S)N(Cc1ccccc1)c1ccccc1 7584175 WWWXBTICSKXJPM-UHFFFAOYSA-N 270.401 3.588 0 40 CHAB Cc1cc([C@@H](O)c2cccc(Br)c2)ccc1F 55201590 QODMGSVRAIMKNY-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB COc1cc(Cl)c(NC(=O)c2occc2C)cc1OC 23054269 YCKBVJCUZUBSRJ-UHFFFAOYSA-N 295.722 3.511 0 40 CHAB Fc1ccc(CN2CCc3ccccc32)c2ncccc12 24678730 VEQGTYYYHAKSJO-UHFFFAOYSA-N 278.330 3.937 0 40 CHAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(F)cc1 55531780 VVQUGKHKNAMZNC-MRXNPFEDSA-N 269.319 3.803 0 40 CHAB C[C@H](Oc1ccc(F)cc1)C(=O)NC1CCCCCCC1 26537890 XBFWMUKQJNPJGT-ZDUSSCGKSA-N 293.382 3.822 0 40 CHAB CCCCC(=O)Nc1cc2c(cc1Cl)OCCCO2 26980285 MVGAULYLGKBKBD-UHFFFAOYSA-N 283.755 3.630 0 40 CHAB CC(C)c1ccc([C@@H](NC(=O)NC2CC2)C(C)C)cc1 10036070 BTFNJAAJUIWRIG-INIZCTEOSA-N 274.408 3.969 0 40 CHAB CCCCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 44891417 UNCOIRIFGJGBOM-UHFFFAOYSA-N 271.364 3.618 0 40 CHAB CSCc1nc(Cl)c2c(C)c(C)sc2n1 3887560 KXSAORHVOKMCEV-UHFFFAOYSA-N 258.799 3.825 0 40 CHAB CCc1c(C)nn(-c2cccc(Br)c2)c1C 49538288 HXUKSRQUJHQPEF-UHFFFAOYSA-N 279.181 3.814 0 40 CHAB in-vitro O=C(Nc1ccccc1F)Nc1cccc2c1NCCC2 19388564 UBNICVTUTWOADQ-UHFFFAOYSA-N 285.322 3.828 0 40 CHAB in-vitro O=C([C@H]1C[C@@H]1c1ccco1)N1CCC(c2ccccc2)CC1 71835057 WTKJTMTWCBYQCL-IRXDYDNUSA-N 295.382 3.789 0 40 CHAB Cc1oc(C)c(C(=O)N[C@H]2CCCc3occc32)c1C 71185745 ONPINMINKATKAV-ZDUSSCGKSA-N 273.332 3.605 0 40 CHAB CC(C)(C)C(=O)CSc1nc(-c2ccccc2)c[nH]1 5726536 LVFMFRSHJZGLFP-UHFFFAOYSA-N 274.389 3.784 0 40 CHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(F)c1 15594022 UDROSEKUUCHUPX-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CC[C@@H](C)NC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 68755601 BFSQAYZLLKQFKF-CHWSQXEVSA-N 285.387 3.867 0 40 CHAB CSCc1cc(NCc2ncc[nH]2)ccc1Cl 97022666 ACAQJMDMHMFVRT-UHFFFAOYSA-N 267.785 3.538 0 40 CHAB CN(C(=O)c1ccc(N2CCCCC2)cc1)C1CCCC1 22528058 VJNFKNOBMQUEDY-UHFFFAOYSA-N 286.419 3.692 0 40 CHAB O=C(CCOc1ccccc1)Nc1cnc2ccccc2c1 25155937 DKHXCMSVKUKPLR-UHFFFAOYSA-N 292.338 3.642 0 40 CHAB CNC[C@@H](OC(C)C)c1ccc(Cl)cc1Cl 62711730 ZEACSUMQHSFARU-GFCCVEGCSA-N 262.180 3.679 0 40 CHAB C/C(=C/c1ccccc1)S(=O)(=O)c1ccccc1 31717132 YMTZAJXCKSXNEN-SEYXRHQNSA-N 258.342 3.521 0 40 CHAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccccc1F 216952682 QIRKYGQWDUGXTM-UHFFFAOYSA-N 281.286 3.590 0 40 CHAB CC[C@H](C(=O)O)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223197567 BOOZSCLMPFIFAK-GXTWGEPZSA-N 275.392 3.950 0 40 CHAB CN(C(=O)[C@H]1C[C@H]1c1ccco1)c1nc2ccccc2s1 89365680 QSGJOKJLXMZEJZ-MNOVXSKESA-N 298.367 3.656 0 40 CHAB Cc1cccc2sc(-c3ccc(N)cc3O)nc12 45946635 YWTZTSAZDWYTQW-UHFFFAOYSA-N 256.330 3.560 0 40 CHAB COc1ccc(NC(=O)Cc2ccc(C)cc2C)cc1OC 225805000 RWQPFCJJTPUOBW-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB COc1c(C)cc([C@H](O)c2ccc(C)s2)cc1C 95727962 MIGHWBKMIQXKLA-AWEZNQCLSA-N 262.374 3.764 0 40 CHAB N[C@H]1CCCc2n[nH]c(-c3ccc(Cl)c(Cl)c3)c21 96511236 MUIJHMWLYQFTOW-JTQLQIEISA-N 282.174 3.720 0 40 CHAB Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N 42288994 AJBZVMQIODFKQN-SSDOTTSWSA-N 297.221 3.901 0 40 CHAB in-vitro CC[C@H](C)[C@H](C(=O)NCc1nccs1)c1ccccc1 96408382 ACYFJOLDPMOSDK-WFASDCNBSA-N 288.416 3.589 0 40 CHAB O[C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1 4242389 FLUYWFRZYKPTTH-ZDUSSCGKSA-N 254.663 3.700 0 40 CHAB CCOc1ccccc1NC(=S)NC(CC)CC 13823742 WSIBSFGKAWYLMZ-UHFFFAOYSA-N 266.410 3.560 0 40 CHAB O=C(O)[C@@H]1/C(=C/c2ccccc2)[C@@H]1c1ccccc1 17430419 DDQINRMAUKWYHO-QNHDLBPPSA-N 250.297 3.568 0 40 CHAB Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)c1 11207127 NEWJFGQPUGWRON-IBGZPJMESA-N 295.382 3.641 0 40 CHAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc(F)cc1 32817742 FLCAVSJYRIDCFB-UHFFFAOYSA-N 294.329 3.798 0 40 CHAB c1cncc(CSc2nc3ccccc3s2)c1 6277092 RZWBWHPCCRKLBZ-UHFFFAOYSA-N 258.371 3.984 0 40 CHAB C[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1 4906153 HBGSSXPVPKMKAU-PXAZEXFGSA-N 254.377 3.671 0 40 CHAB biogenic Cc1ccc(CCC2CCN(C(=O)C(C)C)CC2)cc1 40023455 OZXPICREKPMVAO-UHFFFAOYSA-N 273.420 3.822 0 40 CHAB CCC[C@H](O)c1nc2ccccc2n1CCC(C)C 20897523 JQMOLKRXCBXQDT-HNNXBMFYSA-N 260.381 3.916 0 40 CHAB COc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1 141515 NDBXUKAJMXTNKU-UHFFFAOYSA-N 270.263 3.551 0 40 CHAB CCC[C@@H]1CCCN(C(=O)c2c(C)nsc2NC)CC1 61596453 TWOLMNKJWMJDKJ-GFCCVEGCSA-N 295.452 3.536 0 40 CHAB c1ccc(CNCCCc2c[nH]c3ccccc23)cc1 2197791 LLYSVXLWCQNOSB-UHFFFAOYSA-N 264.372 3.890 0 40 CHAB C[C@@H]1Oc2c(C(=O)NCC3CCCCC3)cccc2[C@H]1C 23076295 XOVLRDGJKCZKTL-STQMWFEESA-N 287.403 3.881 0 40 CHAB Cc1nnc(SCc2c(F)cccc2Cl)s1 6320490 PALNUQWKZBWKHG-UHFFFAOYSA-N 274.773 3.931 0 40 CHAB CC(C)CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 6325839 FSHZFLYXENRQSW-NSHDSACASA-N 285.840 3.983 0 40 CHAB O=C(c1cc2cc(Cl)ccc2o1)N1CCCCC1 7911515 BOFCYKCSFFQZQR-UHFFFAOYSA-N 263.724 3.712 0 40 CHAB c1csc(-c2[nH]nc3c2CCc2ccccc2-3)c1 8651660 WNMWTQISTURZQG-UHFFFAOYSA-N 252.342 3.904 0 40 CHAB Nc1[nH]nc(-c2ccco2)c1-c1ccc(Cl)cc1 8701283 CASCTQOABIVONF-UHFFFAOYSA-N 259.696 3.572 0 40 CHAB COc1c(Cc2ccccc2)cc(Cl)cc1C(=O)O 57352746 MAXXMCJEHYXUHC-UHFFFAOYSA-N 276.719 3.638 0 40 CHAB O=C(Nc1ccc(F)c(F)c1F)c1cc2c(s1)CCC2 3331752 KFLJTGUKPHYXRP-UHFFFAOYSA-N 297.301 3.906 0 40 CHAB CSc1ccc([C@H](C)NC(=O)Cc2cccs2)cc1 22250566 AMZIEUXQUKPHMJ-NSHDSACASA-N 291.441 3.890 0 40 CHAB Cc1ccc(-n2cc(C(=O)O)c(-c3ccccc3)n2)cc1 3394904 LNXXVLMXQUWUNK-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB O[C@@H](c1ccccc1-c1ccccc1)C(F)(F)F 113537124 BGBIUILYNBOXDU-ZDUSSCGKSA-N 252.235 3.949 0 40 CHAB CCCSc1nnc(Nc2cccc(OC)c2)s1 3439572 ZTUKYEIHMCCBQO-UHFFFAOYSA-N 281.406 3.792 0 40 CHAB Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)n1 48782743 UBXVRMNEFHFGIC-GHMZBOCLSA-N 286.297 3.697 0 40 CHAB O=C(NCCC1=CCCCC1)c1cc2cc(F)ccc2[nH]1 5268526 JBHLEJOVBKJDNR-UHFFFAOYSA-N 286.350 3.927 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nn2cnc3ccccc32)cc1 14190458 ACVJLLFZTIXVIA-UHFFFAOYSA-N 293.370 3.718 0 40 CHAB Cc1csc(NC(=O)CCC2CCCCC2)n1 4559930 AVKGAAOUKCQYBI-UHFFFAOYSA-N 252.383 3.751 0 40 CHAB O=C(c1cccs1)c1c[nH]cc1-c1ccccc1 4568148 MZFMFMYTUJBQOK-UHFFFAOYSA-N 253.326 3.974 0 40 CHAB Cc1nc(NC(=O)N2CCC[C@H]2C2CCCCC2)oc1C 65815794 YZZQRZGKYFGFGL-AWEZNQCLSA-N 291.395 3.868 0 40 CHAB Cc1ccc(NC(=O)Cc2noc3ccc(C)cc23)cc1 4667845 MPUAFUCMHRSVCA-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB Cc1ccc2onc(CC(=O)Nc3ccc(C)c(C)c3)c2c1 4667851 YDPUUAMTMKADGI-UHFFFAOYSA-N 294.354 3.934 0 40 CHAB CCOc1ccc(NC(=O)c2ccc(C)s2)cc1 6851606 APEPMESCVFADSD-UHFFFAOYSA-N 261.346 3.708 0 40 CHAB CC1(C)CCc2cc3c4c(/c(=N\O)oc3cc2O1)CCCC4 9306340 XDKNKAYEHWOIOJ-HTXNQAPBSA-N 299.370 3.705 0 40 CHAB C[C@@H]1C[C@@H](C)CN(Cc2c(C3CC3)[nH]c3ncccc23)C1 72393360 XDHNHUSEJYPHFQ-CHWSQXEVSA-N 283.419 3.918 0 40 CHAB Cc1ccc(F)cc1NCC(=O)Nc1cccc(C)c1C 7972709 PMYPLOOPHGQWIG-UHFFFAOYSA-N 286.350 3.802 0 40 CHAB CC(C)C[C@@H](NC(=O)c1ccoc1)c1nc2ccccc2[nH]1 8720049 ZZQATOXHLHXVDB-OAHLLOKOSA-N 297.358 3.673 0 40 CHAB CCCCNC(=O)c1ccc(NC(=O)C(CC)CC)cc1 8782394 PCNQPFDUGGAUPK-UHFFFAOYSA-N 290.407 3.591 0 40 CHAB Nc1ccc(Br)cc1C(=O)OC1CCCCC1 39951681 IPSYYZAHRBSBFK-UHFFFAOYSA-N 298.180 3.521 0 40 CHAB CC(=O)OC[C@@]12CC=C(C)[C@@H](C1)[C@H](c1ccccc1)OC2 36367385 OORPXUWOQSNTSJ-FGTMMUONSA-N 286.371 3.664 0 40 CHAB biogenic Cc1cc(C(=O)c2c(F)cc(F)cc2F)ccc1F 63055338 KIZRLQKOJVIRFE-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB CCc1nnc2sc(-c3cccc(Cl)c3Cl)nn12 34983973 BSYCNQPADYTQKL-UHFFFAOYSA-N 299.186 3.722 0 40 CHAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)CC[C@H](O)[C@@H]12 123392399 UMFJXEJVAKBCPM-ULTMTAQRSA-N 292.463 3.751 0 40 CHAB Cc1cncc([C@H]2CCCCN2C(=O)OC(C)(C)C)c1 72211369 RZDPYXIBZMPCLH-CQSZACIVSA-N 276.380 3.852 0 40 CHAB Fc1cccc(CNC(=S)Nc2ccc(F)c(F)c2)c1 225837044 KGEJADKGZFVGEQ-UHFFFAOYSA-N 296.317 3.591 0 40 CHAB CCCCOCc1cc(C(=O)N[C@@H](C)CC)ccc1OC 224433391 WUWGHHZPYMAAIP-ZDUSSCGKSA-N 293.407 3.540 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1ccccc1F 41144346 LWBROXOEOMXZER-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CCCCNCc1cccn1-c1cc(C)cc(C)c1 223682808 BCLFCHYCAMKNMF-UHFFFAOYSA-N 256.393 3.984 0 40 CHAB Brc1ccc(COCc2ccco2)cc1 49600909 LJOHKQCJMDZJMS-UHFFFAOYSA-N 267.122 3.759 0 40 CHAB CCSc1ccccc1C(=O)N[C@@H](C)C(C)C 225221682 YWZNKOGQZIJYBJ-NSHDSACASA-N 251.395 3.573 0 40 CHAB CCOCc1c(C)c2ccc(C(C)(C)C)cc2[nH]c1=O 98086836 FAXUAIVKRFDJKP-UHFFFAOYSA-N 273.376 3.671 0 40 CHAB CN(CCc1ccccn1)c1cccc(Br)c1 95915540 XMZPMTVTGXQSNI-UHFFFAOYSA-N 291.192 3.523 0 40 CHAB CC(C)Oc1nc2cccc(C(F)(F)F)c2cc1N 685938643 REDLDVKACBKPJF-UHFFFAOYSA-N 270.254 3.623 0 40 CHAB FC(F)c1nc(Oc2cccnc2)c2ccccc2n1 65528901 OBPUPZLXJIUJSC-UHFFFAOYSA-N 273.242 3.755 0 40 CHAB CS[C@H](C)C(=O)Nc1cccnc1Oc1ccccc1 48792275 VAXADEFZPSKOEB-LLVKDONJSA-N 288.372 3.564 0 40 CHAB C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C 26263768 CCCIJQPRIXGQOE-RDGPPVDQSA-N 284.399 3.719 0 40 CHAB Cn1ccnc1SCC(=O)c1ccc2ccccc2c1 12599641 YTSHBFIBNUVZDE-UHFFFAOYSA-N 282.368 3.548 0 40 CHAB c1ccc([C@H]2CN(C[C@@H]3CCOC3)CC23CCCC3)cc1 19369997 UDZOJCHIZIODME-FUHWJXTLSA-N 285.431 3.683 0 40 CHAB COc1cc(N)ccc1NC(=O)c1ccc(C(C)C)cc1 19411903 CEELGTLLBBQXNY-UHFFFAOYSA-N 284.359 3.653 0 40 CHAB FC(F)(F)c1ccc([C@@H]2NCCc3ccccc32)cc1 19726649 YPHQWGSEPCKQEG-HNNXBMFYSA-N 277.289 3.941 0 40 CHAB CC(C)(C)[C@H]1COC(c2cccc(Cc3ccccc3)n2)=N1 642814178 HJHMNYMYKJKHGA-QGZVFWFLSA-N 294.398 3.864 0 40 CHAB c1ccc(CNc2nc(-c3cccnc3)cs2)cc1 190361 BKJUOMQIAKMYAW-UHFFFAOYSA-N 267.357 3.817 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1ccc2ncsc2c1 10217389 ZURJUIPWHSIMIM-UHFFFAOYSA-N 286.331 3.617 0 40 CHAB COc1ccc2c(c1)CCCN2C(=O)c1sccc1C 24874644 FJPGLVHKHMABRR-UHFFFAOYSA-N 287.384 3.658 0 40 CHAB CCOc1ccccc1Oc1ccccc1C(=O)O 20080691 RFTUVUFIWSPYPX-UHFFFAOYSA-N 258.273 3.576 0 40 CHAB in-vitro Cc1oc(-c2ccccc2)nc1C(=O)NC(C1CC1)C1CC1 30800356 ZLTFSHGYYVHIAT-UHFFFAOYSA-N 296.370 3.568 0 40 CHAB Cc1ccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1Cl 100580461 DOGDBBHAXPJGES-WQAKAFBOSA-N 291.778 3.574 0 40 CHAB Cc1ccc(CNCCCOC2CCCCC2)s1 21009063 TYPLMCJHMXVICT-UHFFFAOYSA-N 267.438 3.886 0 40 CHAB CC1(C)C(=O)[C@@]2(C(=O)Nc3cccc(Cl)c3)CC[C@@H]1C2 352945 AYQHCBUMVMKAFK-QLJPJBMISA-N 291.778 3.674 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)CCC2 32829201 AZRABXWCXXNBRX-AWEZNQCLSA-N 279.383 3.975 0 40 CHAB CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)cc1 454552 MQCKIWHLRVCIAY-INWMFGNUSA-N 271.404 3.903 0 40 CHAB Brc1ccc2ncc(Br)cc2c1 369304 CYLMMNPZLQGNEW-UHFFFAOYSA-N 286.954 3.760 0 40 CHAB Cc1cccc([C@H](OCCN(C)C)c2ccccc2)c1 377872 VSIVTUKDXUYWPL-GOSISDBHSA-N 269.388 3.663 0 40 CHAB in-vitro O=C(COc1cccc2ccccc12)NCc1ccccc1 508795 RWAYNFBAZGHHON-UHFFFAOYSA-N 291.350 3.535 0 40 CHAB C[C@H]1CCc2nc(NC(=O)c3ccc(F)cc3)sc2C1 567833 SOAISKZTRDTZDX-VIFPVBQESA-N 290.363 3.659 0 40 CHAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccs1 813752 OZPWKUIKOXIKBM-UHFFFAOYSA-N 295.429 3.981 0 40 CHAB Cc1ccc(N2C(=O)S[C@@H](Nc3ccccc3)C2=O)cc1 1516277 HIERSLZHYIQVLR-CQSZACIVSA-N 298.367 3.633 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1 3292662 FJVGEMBYUUJBHN-UHFFFAOYSA-N 264.328 3.739 0 40 CHAB biogenic CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4027114 VRAQFSFGVZLHAG-OQIRLWNYSA-N 286.371 3.951 0 40 CHAB Cc1cccc(C)c1NC(=O)Nc1ccc2snnc2c1 4110181 UJNYZOORNPMFIX-UHFFFAOYSA-N 298.371 3.952 0 40 CHAB CCn1c(CNC(=O)c2cccs2)cc2cc(C)ccc21 4973490 WMXVHISHPYINEV-UHFFFAOYSA-N 298.411 3.961 0 40 CHAB Nc1sc2ccccc2c(=O)c1-c1ccccc1 5031661 ZMQHRZGEVPJVCG-UHFFFAOYSA-N 253.326 3.511 0 40 CHAB O=c1nc2n(c3c1sc1ccccc13)Cc1ccccc1-2 5600093 LBSQDVJZJAAREG-UHFFFAOYSA-N 290.347 3.640 0 40 CHAB CCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2Cl)n1 5625374 CXUYYOBHIUZDDJ-UHFFFAOYSA-N 298.173 3.773 0 40 CHAB Clc1ccc(-c2cc(CN3CCCCC3)no2)cc1 5763637 YLZJTEBBYVIJQS-UHFFFAOYSA-N 276.767 3.981 0 40 CHAB CCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 7261715 ZPHNQYIUKSAZLO-ZDUSSCGKSA-N 273.376 3.890 0 40 CHAB O=C(Nc1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 7914009 SHLZMKJWEUSDHT-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB CCc1cccc(NC(=O)c2cc3ccccc3[nH]2)c1 8428114 WWDFVFITPQENCZ-UHFFFAOYSA-N 264.328 3.983 0 40 CHAB Cc1cccc(CCCNC(=O)CSc2ccccc2)c1 10110617 XWMYXGBAFGMKJC-UHFFFAOYSA-N 299.439 3.836 0 40 CHAB CCCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 13012673 XYHXYINXZDZIIZ-UHFFFAOYSA-N 299.345 3.587 0 40 CHAB COc1ccc(COC(=O)c2ccc3ccccc3n2)cc1 14705408 AFIGWSAGPOHFEQ-UHFFFAOYSA-N 293.322 3.600 0 40 CHAB CCc1nc(C)cn1C(=O)Nc1cccc2ccccc12 16162524 XOHPRQJTUGHTON-UHFFFAOYSA-N 279.343 3.987 0 40 CHAB Cc1ccc(NC(=S)N(C)c2ccccc2)cc1 16211762 QSIXZVHSRFHKNM-UHFFFAOYSA-N 256.374 3.828 0 40 CHAB Cc1nc2ccccc2nc1CN1CCCc2ccccc21 16265198 XXPDMUZOMLZQPV-UHFFFAOYSA-N 289.382 3.891 0 40 CHAB Cc1csc(Sc2ccc(N)cc2Cl)n1 19845688 BRIOHPWVNABADU-UHFFFAOYSA-N 256.783 3.838 0 40 CHAB in-vitro CCSc1ccccc1NC(=O)COc1ccccc1 20104209 CZNCTFRGIVOJPF-UHFFFAOYSA-N 287.384 3.816 0 40 CHAB CC(C)[C@@H](C)NCc1cc(Br)ccc1F 20305434 KENRIABLUJZXKH-SECBINFHSA-N 274.177 3.722 0 40 CHAB COc1ccc(OC)c(CC(=O)Nc2c(C)cccc2C)c1 20447792 PBKXFJHKRKRFIS-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC2 20569897 HGVJDMPQHDEPHE-LRDDRELGSA-N 272.392 3.876 0 40 CHAB C/C=C/C=C/C(=O)N[C@H](C)c1cccc(Br)c1 30468066 FPMCMGCZGLLZNN-DKHWSBQMSA-N 294.192 3.759 0 40 CHAB CCc1cccc2c(-c3cn4cccc(O)c4n3)c[nH]c12 32727490 QTWWJVLJLFIXGK-UHFFFAOYSA-N 277.327 3.751 0 40 CHAB Cc1noc(C)c1C(=O)Nc1ccc2oc(C3CC3)nc2c1 33214531 PZZNEKDXBLBCGG-UHFFFAOYSA-N 297.314 3.562 0 40 CHAB COc1ccc(OC)c(C(=O)c2cc(Cl)ccc2F)c1 36940102 GCMQTBPSJACXDA-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1 38070891 XITIQWONYFISAZ-UHFFFAOYSA-N 251.251 3.831 0 40 CHAB Cc1cc(NC(=O)NC2CCCC2)ccc1Br 40097478 AVUAWTLLUGHWSV-UHFFFAOYSA-N 297.196 3.822 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1ccc(Cl)c(F)c1 43210081 JFGRQPFFJMXWCE-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB C[C@@]12CCC[C@]1(O)[C@H]1CC=C3C[C@H](O)CC[C@]3(C)[C@@H]1CC2 43722352 HSOALUOHWZYSOE-SVMUCYCZSA-N 290.447 3.815 0 40 CHAB CCOc1cccc(NC(=O)Cc2cc(C)ccc2C)c1 44883514 KVJUCJGJNBWODD-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cc[nH]n2)cc1 46675376 QHNUCIBPEYUSKZ-INIZCTEOSA-N 297.402 3.685 0 40 CHAB Oc1ccc(SCc2nc(Cc3ccccc3)no2)cc1 47895552 LXMXULPJARDJGX-UHFFFAOYSA-N 298.367 3.658 0 40 CHAB CC[C@@H](C)Oc1cccc(N[C@H](C)c2cnn(C)c2)c1 51780140 DVGXQZYIHQTBJR-CHWSQXEVSA-N 273.380 3.771 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC(COc2ccccc2)CC1 55424032 HJANHUDCKGUDBJ-MRXNPFEDSA-N 299.414 3.660 0 40 CHAB Cc1ccc(-n2nc(C)c(NC(=O)C3CCCC3)c2C)cc1 57525450 SZDPQWSUTLZPTQ-UHFFFAOYSA-N 297.402 3.926 0 40 CHAB COC(=O)c1c(Br)ccc(Cl)c1Cl 72338578 MYEFCOYNQLZZCE-UHFFFAOYSA-N 283.936 3.543 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cccc(-c3ncon3)c2)c1 76019143 ZGWDBWWPSBZPBL-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB S=C(SCc1ccc2ccccc2n1)N1CCCC1 78515223 FZJMBOWXASJESQ-UHFFFAOYSA-N 288.441 3.849 0 40 CHAB Brc1ccc2c(-c3ccccc3)n[nH]c2c1 82048560 NBDDKVVSMSJOSD-UHFFFAOYSA-N 273.133 3.992 0 40 CHAB CC(C)CO[C@@H]1C[C@H](OC(=O)c2ccccc2)C1(C)C 84544346 IIMWHXABNWSQRS-CABCVRRESA-N 276.376 3.683 0 40 CHAB CC(C)(C)c1n[nH]cc1CNc1ccc(-c2cnco2)cc1 89694600 JYIUUIVGRWRGJC-UHFFFAOYSA-N 296.374 3.974 0 40 CHAB Cc1cc(CSCc2ccn(-c3ccccc3)n2)on1 95351475 PJXQTYOQSUZYPJ-UHFFFAOYSA-N 285.372 3.602 0 40 CHAB Cc1noc(C)c1CN[C@@H](C)c1cccc(N2CCCC2)c1 95985998 UDZPXULGUAVLKL-ZDUSSCGKSA-N 299.418 3.742 0 40 CHAB C[C@@H]1OCC[C@H]1NC(=O)N(c1ccccc1)c1ccccc1 96007782 MVHGFORHZBXIJX-WMLDXEAASA-N 296.370 3.712 0 40 CHAB Cc1nc(C(F)(F)F)ccc1-c1cc[nH]c(=S)n1 97436733 QBIIIRUPWJAHDS-UHFFFAOYSA-N 271.267 3.528 0 40 CHAB O=C(Nc1ccccc1Br)[C@H]1C[C@H]2C=C[C@H]1C2 101407144 UQOMILOVXRWKAF-DCAQKATOSA-N 292.176 3.600 0 40 CHAB F[C@H](C(F)(F)F)C(F)(F)OCC(Cl)(Cl)Cl 196343368 AYCCKVROTZNEIU-UWTATZPHSA-N 299.425 3.866 0 40 CHAB COC(=O)C(C)(C)N1c2c(C)cccc2C(C)=CC1(C)C 223205696 YSZXPEANRGGTQD-UHFFFAOYSA-N 287.403 3.949 0 40 CHAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(C)n2)cc1 225470837 AIHXLQPBMBYQKC-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1 226273483 QVMFASDLOKDPOE-CYBMUJFWSA-N 299.370 3.781 0 40 CHAB c1ccc(CN2CCC(c3cccs3)CC2)nc1 575604114 QUICIYWOBQDNSG-UHFFFAOYSA-N 258.390 3.523 0 40 CHAB CCOc1ccc(-c2cc(=O)c3cc(O)ccc3o2)cc1 112026 QLMBMAAPRVIGGV-UHFFFAOYSA-N 282.295 3.564 0 40 CHAB biogenic CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Cl)nc1)C1CC1 78509679 RSNOLSACENALNP-MNOVXSKESA-N 280.799 3.774 0 40 CHAB CC[C@](O)(c1ccccc1)[C@@H](OC)c1ccccc1 1597680 OOJYEFKCICPSQA-IRXDYDNUSA-N 256.345 3.672 0 40 CHAB CCN(CC)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1691279 IEVVHMTWFAUOKJ-MGPQQGTHSA-N 255.402 3.926 0 40 CHAB Cc1ccnc(NC(=O)c2ccc3c(c2)CCCC3)c1 24580961 CIVGQXPWHHTDQK-UHFFFAOYSA-N 266.344 3.521 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)C1CCCCC1 20041734 HVYYDCGFZTYHPX-INIZCTEOSA-N 293.382 3.774 0 40 CHAB CCc1ccc(NC(=O)[C@]23CC[C@@H](C2)C(C)(C)C3=O)cc1 100769160 ZFBPDCMVHFIDKD-SCLBCKFNSA-N 285.387 3.583 0 40 CHAB CCOc1ccccc1NC(=O)c1cc2ccccc2[nH]1 12806624 BLNDLCAJYOHSOQ-UHFFFAOYSA-N 280.327 3.819 0 40 CHAB FC(F)(F)Oc1ccc(-c2noc(-c3ccc[nH]3)n2)cc1 57351818 WMCVAEJPBWXFFM-UHFFFAOYSA-N 295.220 3.630 0 40 CHAB Nc1nnc(-c2ccc(-c3cccc(F)c3)cc2)s1 27914096 CQEDJXNRZCMHQD-UHFFFAOYSA-N 271.320 3.593 0 40 CHAB C[C@H](NC(=O)NCCC1=CCCCC1)c1ccccc1 12950043 ULKMKMKHTLVGIU-AWEZNQCLSA-N 272.392 3.937 0 40 CHAB Cc1cc(Cl)n2nc(C)c(-c3cccs3)c2n1 13483283 OSRUUJFRLADCGK-UHFFFAOYSA-N 263.753 3.728 0 40 CHAB O=C(c1ccccc1F)N(Cc1ccco1)Cc1ccco1 9204706 VTEBCRDRPMSKKY-UHFFFAOYSA-N 299.301 3.854 0 40 CHAB CCC[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1 28210492 NZCQFPDRCPTVNB-VIFPVBQESA-N 259.271 3.624 0 40 CHAB Cc1ccc(S(=O)(=O)c2csc(C(C)(C)C)n2)cc1 16742534 WGGYODJLMYBMIT-UHFFFAOYSA-N 295.429 3.582 0 40 CHAB O=C(NC1=NCCS1)c1ccc(C2CCCCC2)cc1 8346069 PYFCDOZSIVGVMV-UHFFFAOYSA-N 288.416 3.567 0 40 CHAB COC(=O)c1cc(-c2ccco2)nc2c(Cl)cccc12 17022029 UGXLEZKLAZHAKV-UHFFFAOYSA-N 287.702 3.935 0 40 CHAB CCc1sc(-c2nnc3n2CCCCC3)cc1C 8877935 NRCYZKVCNJEBMT-UHFFFAOYSA-N 261.394 3.604 0 40 CHAB CC(C)c1noc2ncc(-c3nnc([C@@H]4C[C@@H]4C)o3)cc12 72274995 WDHNQSJUAKVMCP-WCBMZHEXSA-N 284.319 3.520 0 40 CHAB C[C@H](NCc1cnc2ccccn12)c1cccc(Cl)c1 72272613 BRDFJVXAMZNQBB-LBPRGKRZSA-N 285.778 3.839 0 40 CHAB Cc1ccc([C@@H](C)NCCC(=O)Nc2ccccc2C)o1 97111291 RFTWKCWWIXIVSH-CQSZACIVSA-N 286.375 3.576 0 40 CHAB CCc1noc(CNc2ccccc2CCC(F)(F)F)n1 89119017 DXYHYFIFDHNDCC-UHFFFAOYSA-N 299.296 3.739 0 40 CHAB COc1ccc(OCCN[C@@H](C)CCc2ccccc2)cc1 89895764 DSUIFNKOMVBJQY-INIZCTEOSA-N 299.414 3.685 0 40 CHAB OC1=C(C2=NCCN2)CCC/C1=C\c1cccc(Cl)c1 62716110 ICWDARRHKGQMJK-FMIVXFBMSA-N 288.778 3.721 0 40 CHAB CC[C@H](C)OCc1nn([C@@H](C)CC)cc1Br 408716356 LWQWLHDNWNDDTB-UWVGGRQHSA-N 289.217 3.932 0 40 CHAB C[C@H](OCc1ccccc1)C(=O)c1ccc(F)cc1F 36406995 XBLJRJZCBFBRNA-NSHDSACASA-N 276.282 3.753 0 40 CHAB Cc1cccc(CSc2nc(O)c3ccsc3n2)c1 408597838 FOZPFZPAIBDSIR-UHFFFAOYSA-N 288.397 3.998 0 40 CHAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCCN1C(C)C 72218941 WVJUIJABVPSNLQ-QGZVFWFLSA-N 287.451 3.926 0 40 CHAB Cc1ccc2oc([C@H]3CCN(CC(C)C)C3)nc2c1 35446495 MWHROXCUEMHIAV-ZDUSSCGKSA-N 258.365 3.582 0 40 CHAB biogenic,in-vitro Cc1cccc(C(=O)c2c(F)cc(F)cc2F)c1C 37358830 FTKYXVOZSWOINS-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB CSc1ccc([C@H]2CCCCN2CC(C)C)cn1 72216903 ODKADYXKFLWGLT-CQSZACIVSA-N 264.438 3.987 0 40 CHAB Cc1ccc(-n2cccc2CNCC(C)C)c(C)c1 223681052 CNHMVJZTBJXKHH-UHFFFAOYSA-N 256.393 3.840 0 40 CHAB Clc1nccc(-c2sccc2Br)n1 87571719 YBFFZHBVYBKIJC-UHFFFAOYSA-N 275.558 3.621 0 40 CHAB Cc1ccc(OCC[C@@H]2CCCCN2)c(Cl)c1 42770862 XWDREOFGFGKLBT-LBPRGKRZSA-N 253.773 3.559 0 40 CHAB COc1ccc(NC(=S)NC(C(C)C)C(C)C)cc1 225326163 NCFQSDMYZIMVJQ-UHFFFAOYSA-N 280.437 3.662 0 40 CHAB O=Cc1ccc(OCc2ccc(Cl)cc2F)cc1 95738611 AATMXUOKNADOEP-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB CO[C@H](C)c1nc(Cl)cc(-c2cccc(C)c2)n1 96529138 KYNKJYILKQAHOU-SNVBAGLBSA-N 262.740 3.813 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CC[C@@H](O)C(C)(C)C 242687700 UQWKTINIAKDQEY-CHWSQXEVSA-N 285.428 3.573 0 40 CHAB Cc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1 260658812 QBWSOONDISHYIE-YDHLFZDLSA-N 274.433 3.778 0 40 CHAB Cc1ccc(-c2n[nH]cc2CNc2ccc(F)cc2F)o1 37212352 LIIUDDZXCTUYTL-UHFFFAOYSA-N 289.285 3.868 0 40 CHAB O=C(CSCc1cccnc1)NC1CCCCCCC1 41751127 OMNNCLMCFFPLLU-UHFFFAOYSA-N 292.448 3.544 0 40 CHAB O=C(/C=C/c1ccco1)NCC1(c2ccccc2)CCCC1 319510 VTCISSYITXHBGE-ZHACJKMWSA-N 295.382 3.921 0 40 CHAB CCc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 3248883 NORPRFYPNIAWBH-JLHYYAGUSA-N 283.352 3.655 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1 14022378 MCJGGAMBURUVSS-MRXNPFEDSA-N 287.334 3.930 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1N 19386523 RHJZBZMQZWPVNB-UHFFFAOYSA-N 294.276 3.848 0 40 CHAB CC(=O)Nc1sc2c(c1C(=O)O)CC[C@H](C(C)(C)C)C2 8731397 UWNMXDQJOINJOB-VIFPVBQESA-N 295.404 3.556 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1cn(C)c2ccccc12 5265693 JLIYNKZKLNKSSI-JSGCOSHPSA-N 285.391 3.879 0 40 CHAB O=C(c1ccc(CSc2ccccn2)cc1)N1CCCC1 40051489 JAJNGOKQYYWGRF-UHFFFAOYSA-N 298.411 3.610 0 40 CHAB O=C(CCc1ccco1)Nc1ccc(-c2nccs2)cc1 21358829 JMDSNEHRSQFNMI-UHFFFAOYSA-N 298.367 3.974 0 40 CHAB O=C(CCSc1ccccc1)NCCc1cccs1 32988818 JUULPWSNIFBCCQ-UHFFFAOYSA-N 291.441 3.589 0 40 CHAB Cc1sc2ncnc(Nc3ccc(C(=O)O)cc3)c2c1C 135930 JJOICSWAGNNCAM-UHFFFAOYSA-N 299.355 3.750 0 40 CHAB COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C(C)=O 386242 JRKXLYGOCVGIRA-UHFFFAOYSA-N 294.306 3.671 0 40 CHAB Cc1ccn2c(NC(C)C)c(-c3ccc(O)cc3)nc2c1 413699 KELLJZHBTPISEC-UHFFFAOYSA-N 281.359 3.836 0 40 CHAB O=C1CCc2c1[nH]c1ccc(OCc3ccccc3)cc21 507522 PGGVIXRQFMGSCZ-UHFFFAOYSA-N 277.323 3.876 0 40 CHAB C[C@@H]1COc2ccccc2N1C(=O)c1ccc(Cl)cc1 1389057 UILNYSZPKJYGPZ-LLVKDONJSA-N 287.746 3.768 0 40 CHAB Clc1nn2c(-c3ccccc3)nnc2c2ccccc12 1421379 HNOGCUCCQQVHCI-UHFFFAOYSA-N 280.718 3.598 0 40 CHAB CCCC[C@@H](CC)CNC(=O)Cc1cccs1 2739443 NFHCBWIMPRHLFX-GFCCVEGCSA-N 253.411 3.623 0 40 CHAB CC[C@@H](C)c1ccc(NC(=O)c2cnn(CC)c2C)cc1 2760099 FDADSFWDWCYCLY-GFCCVEGCSA-N 285.391 3.977 0 40 CHAB COC(=O)N1[C@@H](c2ccccc2)[C@@H]1c1ccccc1 2839297 RCDUNEOSRBMNMC-GJZGRUSLSA-N 253.301 3.551 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(Br)c1 3195055 RPCLEUQDNJREQQ-GHMZBOCLSA-N 296.208 3.852 0 40 CHAB O[C@@H](c1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 4025554 IFGUZODIMGJQLR-INIZCTEOSA-N 284.746 3.607 0 40 CHAB CCN(CC)C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 4743800 IEVVHMTWFAUOKJ-MJBXVCDLSA-N 255.402 3.926 0 40 CHAB Cc1ccccc1OCCOc1ccc2ccc(=O)oc2c1 5221478 YXZYBHFPKIWRCO-UHFFFAOYSA-N 296.322 3.559 0 40 CHAB CCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 5416955 KGCRSOHNRVUHNJ-UHFFFAOYSA-N 275.348 3.525 0 40 CHAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1C 5558512 ULCCELHIJBOVQV-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CC(C)C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2[nH]1 5643796 QCEUWSMXJLAVQA-CQSZACIVSA-N 297.358 3.673 0 40 CHAB CC(=O)c1ccccc1NC(=O)c1sccc1C 6602887 RKQOTHWVOHYHGB-UHFFFAOYSA-N 259.330 3.511 0 40 CHAB COc1ccc(CN(C)C(=S)Nc2ccccc2)cc1 7375321 PEZKHAQJHSSRME-UHFFFAOYSA-N 286.400 3.524 0 40 CHAB CC[C@@H](Oc1ccccc1F)C(=O)NC1CCCCCC1 8048893 KOVOLWDAVPJUEQ-OAHLLOKOSA-N 293.382 3.822 0 40 CHAB COC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 9256552 PFOFXQAINPEHHO-UHFFFAOYSA-N 295.382 3.605 0 40 CHAB O=C(Cc1ccccc1F)N[C@@H](c1cccs1)C1CC1 11235241 AHBNVYAZHDSMPA-MRXNPFEDSA-N 289.375 3.697 0 40 CHAB O=C(NC1CCCCCCC1)c1ccc[nH]c1=S 12623394 BIINTPORBSQZLI-UHFFFAOYSA-N 264.394 3.587 0 40 CHAB CN(C(=O)c1ccc(F)cc1F)[C@H]1CCc2ccccc21 12779913 LBULOPKVXGXFRL-INIZCTEOSA-N 287.309 3.724 0 40 CHAB Cc1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1C 13668661 NPGHQYXJACEIFD-OAHLLOKOSA-N 295.382 3.660 0 40 CHAB Cc1ccc(C)c(CC(=O)NCCSc2ccccc2)c1 20108599 NJZMDUANZDBPNC-UHFFFAOYSA-N 299.439 3.754 0 40 CHAB O=C(CCC1CCCCC1)NCc1ccccc1F 21269907 WXCIYQNMWJKAST-UHFFFAOYSA-N 263.356 3.802 0 40 CHAB Cc1ccsc1C(=O)N[C@H](C)c1ccc(F)cc1F 23546071 DZUNOHWIMVIRHH-SECBINFHSA-N 281.327 3.826 0 40 CHAB Cc1ccc(CNc2nc(Cl)cc(Cl)n2)cc1 24747362 TXMXKUAUJMZQLX-UHFFFAOYSA-N 268.147 3.704 0 40 CHAB Cc1cc(C)cc(NC(=O)c2ccc(N(C)C)cc2)c1 26534195 PECVECLMOBOGRT-UHFFFAOYSA-N 268.360 3.622 0 40 CHAB C[C@H](Nc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 28907031 XMADZPHMJXDDSR-ZDUSSCGKSA-N 290.382 3.633 0 40 CHAB CC[C@H](C)C(=O)NCc1ccc(-c2ccc(F)cc2)o1 29676298 JYUYLCDCFSZXAN-NSHDSACASA-N 275.323 3.748 0 40 CHAB CC(=O)c1cccc(OCCOc2cccc(C(C)=O)c2)c1 34579855 QTKKYMGLXBOHTL-UHFFFAOYSA-N 298.338 3.550 0 40 CHAB in-vitro COc1ccc2oc(-c3ccc(N)c(Cl)c3)nc2c1 45954155 IECPFYPISSAOGD-UHFFFAOYSA-N 274.707 3.739 0 40 CHAB O=C(COCc1ccccc1)c1ccccc1Cl 50159279 ZFERTAYMPGZUJD-UHFFFAOYSA-N 260.720 3.740 0 40 CHAB CC(C)Oc1ccc(-c2nc3cc(N)ccc3o2)cc1 57326875 DKMFYWFVTDHCCY-UHFFFAOYSA-N 268.316 3.864 0 40 CHAB Cc1ccc2nc3c(cc2c1)CN(c1ccccc1)CCO3 57466998 GDLGDWDCYCETQL-UHFFFAOYSA-N 290.366 3.942 0 40 CHAB CCOc1cc(-c2nc(C)cc(Cl)n2)ccc1OC 58043370 MVHZYIUMBWQYOD-UHFFFAOYSA-N 278.739 3.513 0 40 CHAB CCc1cc(N)cc2nc(-c3cccc(C)c3)oc12 62536561 OGORVWWOBVGANP-UHFFFAOYSA-N 252.317 3.948 0 40 CHAB CC[C@@H](COC)N[C@H](C)c1ccc(Br)s1 70657885 QRMYKNDQERPTPB-BDAKNGLRSA-N 292.242 3.586 0 40 CHAB CC(C)n1nccc1NC(=O)[C@@H](C)SC1CCCCC1 71846653 ZOTXSJCKCNUCSU-GFCCVEGCSA-N 295.452 3.857 0 40 CHAB CCCN1CCCC[C@@H]1c1ccc(SC)nc1 72216899 FARFSKADGKVFGN-CYBMUJFWSA-N 250.411 3.741 0 40 CHAB Cc1csc([C@H]2CCCCN2C(=O)[C@@H](C)C(C)C)n1 72281664 HQNWWKQKOXTPCT-QWHCGFSZSA-N 280.437 3.797 0 40 CHAB Nc1cccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1 76045859 DYVKNTAQLINUHX-UHFFFAOYSA-N 277.249 3.831 0 40 CHAB COCc1noc(-c2cc(C3CC3)nc3ccc(C)cc23)n1 89657517 NYLHAYJMHKZXQW-UHFFFAOYSA-N 295.342 3.617 0 40 CHAB Oc1ccccc1SCc1nnc(Cc2ccccc2)o1 89840369 KLVVPQYNOHTRMY-UHFFFAOYSA-N 298.367 3.658 0 40 CHAB C[C@@H](c1ccc(C(=O)O)o1)N1CC[C@H](c2ccccc2)C1 91782137 XDOMRYDHWLBXEU-JSGCOSHPSA-N 285.343 3.528 0 40 CHAB Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)c2ccccc2n1 95458014 ZFRBPGDWGDAJRV-UONOGXRCSA-N 270.376 3.770 0 40 CHAB COc1cc(C(=O)c2cccc(C)c2C)ccc1F 95916796 STUVQTJSWNFHHP-UHFFFAOYSA-N 258.292 3.682 0 40 CHAB COc1ccc(CN[C@H]2CCC(C)(C)C2)cc1F 95982767 RQDYLHMWWDOEIA-LBPRGKRZSA-N 251.345 3.503 0 40 CHAB CCCCc1nc(CSCc2nnc(C)o2)cs1 96467806 DXGKFXUVQQKEQQ-UHFFFAOYSA-N 283.422 3.611 0 40 CHAB C[C@H](NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)c1ccccn1 97010343 BYNYSWRJGOMANI-GRDNDAEWSA-N 295.386 3.545 0 40 CHAB CC(=O)[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)C 103212158 YOZCVQKUWBRLMA-DTZQCDIJSA-N 282.424 3.852 0 40 CHAB C[C@@]12CC[C@H]3[C@H](CC[C@H]4OCCC[C@]34C)[C@@H]1CC[C@@H]2O 104378930 JMNISNRAJNKYBE-FHXWZAGWSA-N 278.436 3.769 0 40 CHAB COC(OC)c1cc(C(F)(F)F)ccc1Br 113972832 SISRCXMRMFMKFT-UHFFFAOYSA-N 299.086 3.759 0 40 CHAB O=Cc1cc(Br)cc(OCc2ccccc2)c1 139379768 HJXNNMNSTYFXGX-UHFFFAOYSA-N 291.144 3.841 0 40 CHAB Cc1nscc1C(=O)N1CCC=Cc2ccccc21 188252380 RTCFLBJWZLEULL-UHFFFAOYSA-N 270.357 3.515 0 40 CHAB CC(C)(C)NC(=O)N1CCS[C@H](c2cccs2)CC1 219528825 LGIVRQGASXFJLT-LBPRGKRZSA-N 298.477 3.736 0 40 CHAB CC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225604220 AFSDFGCORRFSAY-QGZVFWFLSA-N 293.407 3.844 0 40 CHAB COc1ccc(/C=C/c2nc3cc(N)ccc3o2)cc1 226249933 XXFQOOUWWRYWBT-RUDMXATFSA-N 266.300 3.589 0 40 CHAB CNc1ccc(N2CCCC[C@H]2C)c(Br)c1 226275554 GOHMVGUDGVUIDZ-SNVBAGLBSA-N 283.213 3.870 0 40 CHAB Cc1cc(C)cc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260659288 VHZJCFMKDCXUGC-KCQAQPDRSA-N 274.433 3.778 0 40 CHAB CCN1C(=O)S/C(=C/c2c(C)cc(C)cc2C)C1=O 409070596 CMVGVQMRPSTKGC-MDWZMJQESA-N 275.373 3.668 0 40 CHAB CSc1ccccc1NC(=O)c1cc(C)nc(C2CC2)n1 1888879670 RCWCNWLEVLTLJQ-UHFFFAOYSA-N 299.399 3.637 0 40 CHAB O=C1c2ccccc2CN1c1cccc(Br)c1 38071 JDTNLTGGONOCME-UHFFFAOYSA-N 288.144 3.610 0 40 CHAB CCCCC[C@@H]1OC[C@]2(CO)[C@@H](C)C=C(C)[C@H]1[C@H]2C 4027097 KWAQTWWTBCDMPK-BQJWPVKWSA-N 266.425 3.793 0 40 CHAB biogenic Cc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 6238385 UVNGWDVFBIFOTL-UHFFFAOYSA-N 296.370 3.842 0 40 CHAB C[C@H]1CN=C(Nc2ccc(Cl)c(Cl)c2)S1 3227046 YKMKYRMIBXLAKY-LURJTMIESA-N 261.177 3.897 0 40 CHAB O=C(O)c1ccc(CNc2cccc(C(F)(F)F)c2)o1 8702189 UIZUYIPIANDFDF-UHFFFAOYSA-N 285.221 3.609 0 40 CHAB COc1cccc(CN[C@H](C)c2ccc(F)c(F)c2)c1 34992847 SPUNLYUKDJRHCU-LLVKDONJSA-N 277.314 3.824 0 40 CHAB Nc1ccc(Oc2cccc(F)c2)c2ccncc12 35333069 KCYUSMAAYVFSGW-UHFFFAOYSA-N 254.264 3.748 0 40 CHAB in-vitro C[C@]12CC3CC(NC(=O)c4ccco4)(C1)C[C@](C)(C3)C2 100980771 HLDVZZYEHAALMM-UNXMRWRESA-N 273.376 3.758 0 40 CHAB O=C(O)c1ccc(/C=C/c2nc3ccccc3o2)cc1 57457334 BPZPFGPYTUDYEK-JXMROGBWSA-N 265.268 3.696 0 40 CHAB Cc1noc(C)c1NC(=O)CCSc1ccccc1F 58201142 UHSRSQDCBZJUIV-UHFFFAOYSA-N 294.351 3.551 0 40 CHAB CCOc1ccc(Oc2ncnc3ccsc23)cc1 73109063 YBLWFQGHIGCKOV-UHFFFAOYSA-N 272.329 3.882 0 40 CHAB CC(C)c1ccc(Nc2nnc(-c3ccncc3)o2)cc1 27752980 IVMWZUYNJMWFTM-UHFFFAOYSA-N 280.331 3.999 0 40 CHAB CC[C@H](NC(=O)c1ccc(C)s1)c1ccccc1 2770144 XGHWVOGHIHIODL-ZDUSSCGKSA-N 259.374 3.938 0 40 CHAB CC(=O)c1c(-c2ccccc2)c2cc(C)ccc2n(C)c1=O 2700688 ZBPMYHBMGJXZHZ-UHFFFAOYSA-N 291.350 3.717 0 40 CHAB O=C(Nc1nsc(-c2ccccc2)n1)c1ccc(F)cc1 2889438 YGEZZZKWXNGMFD-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)c1 113943604 YIKXNWFNOPPSJH-AWEZNQCLSA-N 277.408 3.559 0 40 CHAB O=C1C[C@H](c2cccs2)c2c(-c3ccccc3)n[nH]c2N1 9012414 ZPHXCSYRUUSYDE-LLVKDONJSA-N 295.367 3.612 0 40 CHAB C[C@H](CCc1cn(C)c2ccccc12)NC(=O)c1ccco1 3765595 YQMWHLTZYBQPHC-CYBMUJFWSA-N 296.370 3.522 0 40 CHAB C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)CC(C)(C)C1 13138457 RJOWTKXJOABMPB-GBIKHYSHSA-N 292.250 3.901 0 40 CHAB C/C=C/C=C/C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 65488488 DTLKMZWUSHTTNX-UPGIUHQOSA-N 273.376 3.850 0 40 CHAB O=C(NCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 5466727 LSRXUGHIUSKLQZ-UHFFFAOYSA-N 287.378 3.658 0 40 CHAB Cc1ccc(C(=O)Nc2ccnc3ccccc23)cc1 6613632 PEBVRVAZLCFBJT-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB CCS[C@H]1c2ccccc2C(=O)N1CCC(C)C 19798369 YLZBXMGIFNIZDS-HNNXBMFYSA-N 263.406 3.940 0 40 CHAB c1ccc(-c2nc3ccccc3nc2N2CCCC2)cc1 4741207 WGBMGARHRHOJII-UHFFFAOYSA-N 275.355 3.897 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)CCc1c(C)noc1C 9459846 OCNIJONLNDDBNO-UHFFFAOYSA-N 298.386 3.512 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(F)cc2Cl)o1 40082052 LFDJMGJLBHKTRK-UHFFFAOYSA-N 267.687 3.887 0 40 CHAB CCCC[C@H](CC)CN1C(=O)c2cscc2C1=O 91301383 PCLDQMLVTDTSOU-JTQLQIEISA-N 265.378 3.561 0 40 CHAB CCN(CC(=O)N(CC)c1ccccc1)c1ccccc1 66191601 BOHFAQRDEGYIMU-UHFFFAOYSA-N 282.387 3.566 0 40 CHAB CC[C@H](C)Oc1cccc(N[C@H](C)c2cnccn2)c1 70479611 LVFJGCRYNIVULP-QWHCGFSZSA-N 271.364 3.827 0 40 CHAB CC1(C)Cc2cccc(OCc3nc4ccccc4[nH]3)c2O1 8624160 QJYCGXNXVAJMMQ-UHFFFAOYSA-N 294.354 3.855 0 40 CHAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCCCC1 8705287 LQWYVGKOEUYAPM-UHFFFAOYSA-N 280.371 3.738 0 40 CHAB Cc1oc(-c2cccs2)nc1CN[C@H](C)c1ccncc1 97084032 MKKHXAQAKDKJCV-LLVKDONJSA-N 299.399 3.957 0 40 CHAB COc1cccc(CNC(=S)c2cccc(Cl)c2)c1 408572012 DVCNSQVWEAMVFJ-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB Cc1ccc(F)cc1Oc1ncnc2ccsc12 526045149 WVVFEDJUCPVVII-UHFFFAOYSA-N 260.293 3.931 0 40 CHAB CCCCN(CCCC)C(=O)Cc1cccc(F)c1 75496703 LPMMDMCLUHLPIS-UHFFFAOYSA-N 265.372 3.797 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1ccc(F)cc1Cl 36941579 CQROAVAAKBUQJA-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB CCCCCNC(=O)[C@H](CC)Oc1cccc(C)c1C 38753175 FYSHPNAKQZWGMD-HNNXBMFYSA-N 277.408 3.767 0 40 CHAB C[C@@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 45734930 BFZGBODCZCPXLE-GFCCVEGCSA-N 274.339 3.713 0 40 CHAB CCN1CC=C(c2nc3cc(C)cc(C)c3o2)CC1 73636004 QPJORPPBUVEDTH-UHFFFAOYSA-N 256.349 3.554 0 40 CHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@@H]2C)cc1 32823486 ULQJVFOQBNRMGO-JQFCIGGWSA-N 287.403 3.795 0 40 CHAB Cc1ccnc(C(=O)c2ccc(C(C)(C)C)cc2)c1 45028616 DCZJMLLWHTXHAZ-UHFFFAOYSA-N 253.345 3.919 0 40 CHAB COCCCN[C@H](C)c1cccc(OC2CCCC2)c1 225166815 CVAHMWZBMVZXDI-CQSZACIVSA-N 277.408 3.695 0 40 CHAB Cc1nc(C2CC2)ncc1C(=O)Nc1cccc(Cl)c1 222562820 BJWOMKIOCISTTA-UHFFFAOYSA-N 287.750 3.568 0 40 CHAB CC[n+]1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 226774583 ZXKVBHPOEKCZMZ-UHFFFAOYSA-N 267.352 3.926 0 40 CHAB CS(=O)(=O)c1cc[nH]c1-c1ccc(-c2ccccc2)cc1 96532671 XAOHBJOHERXATH-UHFFFAOYSA-N 297.379 3.752 0 40 CHAB CSC[C@H](C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 96412482 WIYONDNAMRWMDE-NSHDSACASA-N 291.420 3.555 0 40 CHAB COc1ccc(-c2cc3cccc(Cl)n3n2)cc1 90547510 FYHDEKUEAVBKRT-UHFFFAOYSA-N 258.708 3.663 0 40 CHAB FC(F)(F)c1ccc(SCc2ccco2)nc1 161201 SEZXRVIMNNKJQT-UHFFFAOYSA-N 259.252 3.986 0 40 CHAB CCOC(=O)[C@@H](Oc1ccc(Cl)cc1C)C(F)(F)F 261828315 KDJFXAASMSJEGP-SNVBAGLBSA-N 296.672 3.521 0 40 CHAB Cc1cccc(NC(=S)N[C@H]2CCCC[C@H]2C)c1 5689554 ZLFLSCGLBHIOKM-OCCSQVGLSA-N 262.422 3.860 0 40 CHAB Cc1ccc2nc(NC(=O)CC(C)(C)C)sc2c1 5710570 BKTFIZLQLVKYHX-UHFFFAOYSA-N 262.378 3.979 0 40 CHAB CCCCO[P@](=O)(c1ccccc1)N1CCCCC1 5973705 CUOKGTGMJHRYBY-LJQANCHMSA-N 281.336 3.808 0 40 CHAB Cc1nc2ccccc2nc1-c1nnc(CC(C)C)s1 16265665 FVTRVUBQEFRFKJ-UHFFFAOYSA-N 284.388 3.655 0 40 CHAB c1ccc([C@@H]2[C@H]3CCC[C@H]3[C@H]2NCc2cccnc2)cc1 19373733 GWXPQEXEPYMTMU-WJFTUGDTSA-N 278.399 3.754 0 40 CHAB CC(C)OC(=O)OCCCC(F)(F)C(F)(F)F 169795755 HWVZHAYEGPFVMT-UHFFFAOYSA-N 264.190 3.526 0 40 CHAB CN(Cc1ncc(Cl)n1C)[C@@H]1CCCc2ccccc21 26815911 XBGZPRYITCOORV-CQSZACIVSA-N 289.810 3.583 0 40 CHAB NC(=O)c1cccc(COc2cccc(Cl)c2Cl)c1 32827025 UIJGTTYZHTYOLY-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB CN(C(=O)c1ccncc1)c1ccc2ccccc2c1 50034206 DKACBQZLJBNNEJ-UHFFFAOYSA-N 262.312 3.511 0 40 CHAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102213151 GIZUHUTZKZGUSF-QXRTWZOPSA-N 297.398 3.571 0 40 CHAB CCc1nnc(NC(=O)c2cccc3ccccc23)s1 362347 QIIWUHVRVDAMKA-UHFFFAOYSA-N 283.356 3.506 0 40 CHAB COc1ccc(CN(C(=O)C[C@@H]2C=CCC2)C2CC2)cc1 32740921 NCVBGOOTHDVBFF-CQSZACIVSA-N 285.387 3.543 0 40 CHAB COc1ccc(OCc2nc(-c3ccccc3C)no2)cc1 516053 MGPCFALJVPHVRT-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB C[C@H](Sc1nc(C2CC2)n[nH]1)c1ccc(F)cc1 22613661 ZAIDUJGRYXQJBI-QMMMGPOBSA-N 263.341 3.675 0 40 CHAB Cc1ccc(-c2nc3ccccc3n3c(C)nnc23)cc1 309207 TTWMTXRHJUBVGC-UHFFFAOYSA-N 274.327 3.561 0 40 CHAB S=C(Nc1cccc(Cl)c1)NC1CCCC1 1002767 NTDPBYPQIPASSO-UHFFFAOYSA-N 254.786 3.569 0 40 CHAB CCCCc1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1 1789199 NYMOQZSKLBTDCB-UHFFFAOYSA-N 298.169 3.592 0 40 CHAB Cc1ccc2[nH]cc(CCNC(=O)c3cccc(F)c3)c2c1 2342226 RHBZBKJKSZDERK-UHFFFAOYSA-N 296.345 3.588 0 40 CHAB biogenic Cc1ccc(NC(=O)Cc2ccccc2F)cc1Cl 2630273 PYBICOORZKIEDT-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CC1(C)CC(=O)c2sc3nc4ccccc4n3c2C1 3012987 RTAPKBPQTJRDKD-UHFFFAOYSA-N 270.357 3.704 0 40 CHAB Cc1csc(NC(=O)CSc2ccccc2Cl)n1 3348701 DJQREECXTURJCR-UHFFFAOYSA-N 298.820 3.836 0 40 CHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)c(C)c1 3394069 NYNBUAHSMOBRQL-UHFFFAOYSA-N 292.338 3.854 0 40 CHAB Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(F)cc2)c1 3431000 ZLOFFTMDYIENCH-ZDUSSCGKSA-N 271.335 3.934 0 40 CHAB O=C(NCc1ccccc1)c1cc2c(s1)CCCC2 3480380 ZPINRLZHBPHQAW-UHFFFAOYSA-N 271.385 3.557 0 40 CHAB CCc1cccc(C)c1NC(=O)c1cccnc1Cl 5477446 BLRKYVDPLCVNKX-UHFFFAOYSA-N 274.751 3.858 0 40 CHAB Cc1ccccc1CNC(=O)c1ccc2c(c1)CCCC2 8052761 PVBXHQUKDWYUKM-UHFFFAOYSA-N 279.383 3.804 0 40 CHAB Cc1ccc(CCC(=O)N2CCc3ccccc32)cc1 10328629 XRQDNXPBAUTUGD-UHFFFAOYSA-N 265.356 3.517 0 40 CHAB COc1ccc(OCc2cn3cc(Cl)ccc3n2)cc1 12506466 ANPBFAQXDBFJIZ-UHFFFAOYSA-N 288.734 3.575 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)Sc2ccc(N)cc2)cc1 17009702 SYAJYLNZFCDTDF-LBPRGKRZSA-N 286.400 3.697 0 40 CHAB Cc1cc(C(F)(F)F)nc2cc(-c3ccc(F)cc3)nn12 17023667 ZPTDBMJBZOLBSA-UHFFFAOYSA-N 295.239 3.863 0 40 CHAB O=C(NCCC1=CCCCC1)NCC1(c2ccccc2)CC1 22427388 MYOPCRSLWCJXLF-UHFFFAOYSA-N 298.430 3.908 0 40 CHAB Cc1cccc(C(=O)NC[C@@H](C)N(C)c2ccccc2)c1C 32931194 NOQOBYCKUHKMRW-OAHLLOKOSA-N 296.414 3.558 0 40 CHAB CC(C)c1noc(CSc2ncccc2Cl)n1 40049452 GRSHLVJXCVJXNZ-UHFFFAOYSA-N 269.757 3.534 0 40 CHAB CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 40091948 MYUUCOGFAKWXGX-QWHCGFSZSA-N 289.375 3.671 0 40 CHAB CC[C@H](C)[C@H](NC(=O)C1CCC1)c1nc2ccccc2[nH]1 40146161 GBUOVPSOJMUCFN-NHYWBVRUSA-N 285.391 3.566 0 40 CHAB C[C@H]1CCCCN1Cc1ccc(Br)cc1F 42205986 OZZROOCKZCBKHC-JTQLQIEISA-N 286.188 3.963 0 40 CHAB CCCCCNC(=O)Nc1ccc(SC)cc1 43867501 URWKKIWMVKMVRL-UHFFFAOYSA-N 252.383 3.720 0 40 CHAB CC(C)[C@@H](C)NC(=O)CCSc1ccc(Cl)cc1 44195571 GKSDKEAHARTIMP-LLVKDONJSA-N 285.840 3.983 0 40 CHAB Cc1ccc(N[C@@H]2OC(=O)c3cccc4[nH]cc2c34)cc1 44900714 AYLFLOSQMXBDBW-MRXNPFEDSA-N 278.311 3.757 0 40 CHAB Cc1ccc(C(=O)c2c(Cl)cccc2Cl)cn1 45029100 IROJJHCYQHLOHZ-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB CCc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 48413058 NCRFCEWSXUPXCF-QGZVFWFLSA-N 265.356 3.666 0 40 CHAB Cc1cc(C)c(NC(=O)c2ccccc2Cl)c(N)c1 70462820 VOGRTOZTNDTHEO-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB c1csc(CN(c2ncnc3ccsc23)C2CC2)c1 71798566 JVLPBNIEAFRVMW-UHFFFAOYSA-N 287.413 3.922 0 40 CHAB COC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 72193693 RNJJHTOVKRPHMP-VQHVLOKHSA-N 262.692 3.786 0 40 CHAB Cc1ccccc1-c1csc(Br)n1 72204580 HNHNBPFDJHOODW-UHFFFAOYSA-N 254.152 3.881 0 40 CHAB Fc1ccccc1[C@@H]1CCN1c1ncnc2cccc(F)c12 75094565 ZXOXKIHIPMSHAS-HNNXBMFYSA-N 297.308 3.859 0 40 CHAB Cc1cc(Br)cc2cc(C=O)c(Cl)nc12 95095278 GHKLGNKGBOVJAT-UHFFFAOYSA-N 284.540 3.772 0 40 CHAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(F)c1 95116652 BITLDMURAACAMS-AWEZNQCLSA-N 288.347 3.585 0 40 CHAB O=C(N1CCCO1)N(c1ccccc1)c1ccccc1 97114672 XIZXTSGHRJPFPG-UHFFFAOYSA-N 268.316 3.582 0 40 CHAB CCS[C@@H]1CC[C@H](NC(=O)N(C)[C@H](C)c2ccco2)C1 107144866 AOWGHTKGXOJVSR-FRRDWIJNSA-N 296.436 3.656 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H](c1nccs1)C1CC1 107502039 VGYFYSPKFNGRSS-GZCFXPHUSA-N 290.432 3.537 0 40 CHAB CSCCC(=O)c1ccccc1OC(F)(F)F 135873662 UNVZCPZTUMIVPI-UHFFFAOYSA-N 264.268 3.521 0 40 CHAB CC[C@@H](C)C(=O)c1ccc(Br)cc1F 166081060 KEANRHNHVPNCEQ-SSDOTTSWSA-N 259.118 3.817 0 40 CHAB CCC1(CC)Oc2ccc(N[C@H](C)c3cnccn3)cc2O1 191614645 YHFOBANAOIAZFC-GFCCVEGCSA-N 299.374 3.937 0 40 CHAB C[C@H](NCc1ccnc(N)c1)c1ccc2ccccc2c1 193472611 WKWLLNQHKCRZKL-ZDUSSCGKSA-N 277.371 3.668 0 40 CHAB Cc1cc(C)cc([C@H](O)[C@@H](O)c2cc(C)cc(C)c2)c1 196833515 RDELXTLVFMMXHO-ROUUACIJSA-N 270.372 3.687 0 40 CHAB CC[C@@H](Oc1ccccc1C)C(=O)NCC1=CCCCC1 224432712 LYOHVLMCXTULPQ-MRXNPFEDSA-N 287.403 3.769 0 40 CHAB Cc1ccc(O[C@@H](Cc2cccc(Cl)c2)C(=O)O)cc1 225058212 ROVUHDSUBJWEJP-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB CCc1ccccc1NC(=O)c1ccc2c(c1)nc(C)n2C 225893756 GMMUSZCKEADXMF-UHFFFAOYSA-N 293.370 3.696 0 40 CHAB Cc1cc(NCc2cnn(C(C)C)c2C)nn1CC(C)C 256050593 FRGFOBVCMNKYLU-UHFFFAOYSA-N 289.427 3.545 0 40 CHAB Cc1nc(C)c(-c2nc([C@@H]3CCCc4ccccc43)no2)o1 329561771 JGSKDEOGVUBEMD-CQSZACIVSA-N 295.342 3.810 0 40 CHAB CCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 58040 PJVVLWSZQQCBRZ-UHFFFAOYSA-N 296.322 3.867 0 40 CHAB biogenic CC[C@@H](C(=O)n1cnc2ccccc21)c1ccccc1 117407 HYVRTKFPAVSLJI-CQSZACIVSA-N 264.328 3.870 0 40 CHAB Cc1cccc(NC(=O)COc2ccc(C)cc2C)c1 362531 XEYZVTDBZNGDPX-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB CC(=O)OC[C@]12COC[C@H](C3=CCCC(C)(C)[C@@H]3C1)[C@H]2C 517226 AOWHBUFUMSNEAB-BUIXCFAXSA-N 292.419 3.585 0 40 CHAB biogenic CC(C)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 800881 WUNHWERGJQVSHC-UHFFFAOYSA-N 263.724 3.738 0 40 CHAB CCO[C@@H]1CN=C(Nc2cccc3ccccc23)S1 1636981 WYFBKFOXIUUMFQ-AWEZNQCLSA-N 272.373 3.717 0 40 CHAB Cc1cc2c(c(C)c1O)C(C)(C)CN2C(=O)C(C)(C)C 1643535 FXWDWMOUPSIZLD-UHFFFAOYSA-N 275.392 3.679 0 40 CHAB CCCC[C@@H](CCC(=O)Nc1ccccc1Cl)C(=O)O 2326633 LUKOFTMSHBKEOI-NSHDSACASA-N 297.782 3.950 0 40 CHAB CCC(=O)Nc1nc2c(C)c(Cl)ccc2s1 2713938 YTJLAHPBOJNKHC-UHFFFAOYSA-N 254.742 3.607 0 40 CHAB CCc1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 3524333 REQACDBEKWYUNV-CQSZACIVSA-N 283.371 3.963 0 40 CHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F 5344210 SEESVLMJLBKUHA-UHFFFAOYSA-N 291.578 3.860 0 40 CHAB CCCCOc1ccc(NC(=O)c2ccccc2N)cc1 5608274 JKVNKZKTFIOZNF-UHFFFAOYSA-N 284.359 3.700 0 40 CHAB CCOc1ccc(CNc2ccc(N(C)C)cc2)cc1 5615656 VXVTXRLAPHUATA-UHFFFAOYSA-N 270.376 3.763 0 40 CHAB Cc1ccc(CSc2nnnn2-c2ccccc2)c(C)c1 5961285 KRIOXHQBJIYVMV-UHFFFAOYSA-N 296.399 3.571 0 40 CHAB COC(=O)c1cccc(N2Cc3cc(C)c(C)cc3C2)c1 6255672 WHBWXWXWVWFRFX-UHFFFAOYSA-N 281.355 3.610 0 40 CHAB O=C(CSC1CCCC1)Nc1ccnn1C1CCCC1 7655671 IGCDUWVJRCSOSY-UHFFFAOYSA-N 293.436 3.613 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=S)N(C)Cc1ccccc1F 7662508 XXIROAZEFJGYER-DOMZBBRYSA-N 294.439 3.711 0 40 CHAB Nc1cc(C(F)(F)F)ccc1N1CCCCCC1 8026710 QZWMLICXQMNDKW-UHFFFAOYSA-N 258.287 3.668 0 40 CHAB O=C(Nc1ccccc1F)Nc1ccc(F)cc1F 9836609 UQTTUODOXBNKOT-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB COc1ccc(OC)c(NC(=O)Nc2cccc(C)c2)c1 9875817 CLUJDOXOXJKUSI-UHFFFAOYSA-N 286.331 3.656 0 40 CHAB Oc1cc(-c2ccc(F)cc2)nn1-c1ccc(F)cc1 9937408 UCLFFNJJGUBBGZ-UHFFFAOYSA-N 272.254 3.523 0 40 CHAB Cn1cccc1C(=O)Nc1ccc2c(c1)-c1ccccc1C2 12697328 ZCHMDUFUFLHFEJ-UHFFFAOYSA-N 288.350 3.849 0 40 CHAB CCCCc1c/c(=N\N)oc2cc3occ(C)c3cc12 13690304 XOPLZXKALSVKQE-FBMGVBCBSA-N 270.332 3.604 0 40 CHAB CN(Cc1nc(CC2CC2)no1)[C@@H]1CCCc2ccccc21 15078771 CUHCJKSBUYGAGY-MRXNPFEDSA-N 297.402 3.532 0 40 CHAB C=CC(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 16138252 GQMZVBKTJHLHEX-UHFFFAOYSA-N 282.274 3.758 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C)c1 20486448 OUAZSTDJGFFHFO-SFHVURJKSA-N 297.398 3.777 0 40 CHAB CSCc1ccc(C(=O)Nc2cc(C)ccn2)cc1 21877287 HWFAFAAZSMLVIC-UHFFFAOYSA-N 272.373 3.505 0 40 CHAB O=C(Cc1ccc(Cl)c(Cl)c1)NC(C1CC1)C1CC1 22385245 DXXQOQPBHCAJOP-UHFFFAOYSA-N 298.213 3.841 0 40 CHAB O=C(NC(C1CC1)C1CC1)c1ccccc1C(F)(F)F 26129397 ONDUFSDIHWVDJQ-UHFFFAOYSA-N 283.293 3.624 0 40 CHAB CCOC(=O)c1cnc(Nc2ccc(Cl)cc2)s1 26896229 MZVGWWZDIDIKCU-UHFFFAOYSA-N 282.752 3.717 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)c2ccccc2F)cc1 36623353 DHAILDRLATZLGM-GFCCVEGCSA-N 271.335 3.879 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1Cc1ccc(N)cc1Br 37515912 FPVDVIKKPOYZMN-GHMZBOCLSA-N 297.240 3.794 0 40 CHAB COc1ccc(Nc2nc3ccc(C)cc3[nH]2)cc1 41596091 PBWGIAQTNKQCMD-UHFFFAOYSA-N 253.305 3.624 0 40 CHAB CC(C)[C@@H](CNC(=O)c1ccccc1)Nc1ccccc1 41787668 NPVOCHXOVKEFBJ-QGZVFWFLSA-N 282.387 3.553 0 40 CHAB CC(C)c1nnc(-c2ccc(Br)cc2)o1 50308866 SOVFVPQNNITZIU-UHFFFAOYSA-N 267.126 3.623 0 40 CHAB in-vitro CCCc1nc(C)c(C(=O)NC(C)(C)CCC)s1 50497440 LDDBIIIUCLWVEG-UHFFFAOYSA-N 268.426 3.713 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)c1cc(F)ccc1F 55242895 FMRFBFXSRJHOOP-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB CCc1nc(CN2CC[C@@H](c3ccccc3)C2)cs1 69894804 NSUDKSAMLPPYFW-CQSZACIVSA-N 272.417 3.695 0 40 CHAB Fc1cccc(-c2cncc(Br)c2)c1 72192737 KSGOPNBABYXQIH-UHFFFAOYSA-N 252.086 3.650 0 40 CHAB CC(C)N1CCC[C@@H]1c1ccc(NC2CCC2)nc1 72213837 DJGPUCFARRPBDB-OAHLLOKOSA-N 259.397 3.591 0 40 CHAB CC(C)(O)CCSc1ncc(-c2ccc(F)cc2)o1 72307090 ACXWYUNNVICODB-UHFFFAOYSA-N 281.352 3.734 0 40 CHAB CC[C@H]1CN(C(=O)c2ccoc2)CC[C@@H]1c1ccccc1 80451539 KTNIWYCSNYMVNY-YOEHRIQHSA-N 283.371 3.936 0 40 CHAB COCC[C@@H](NCc1cccs1)c1ccc(F)cc1 95419356 VRBAOFCXJTZLIS-OAHLLOKOSA-N 279.380 3.755 0 40 CHAB CCC[C@@H](N[C@@H](C)CC(C)C)C(=O)OC(C)(C)C 95943400 MAQRMAIOFOFNPX-QWHCGFSZSA-N 257.418 3.521 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1nccs1 95950842 RIEXZIDIPYLFCO-NWDGAFQWSA-N 289.404 3.573 0 40 CHAB C[C@@H](NCC1(Sc2ccccc2)CC1)C1CCOCC1 95967872 MKJHPSDRXLUJLA-CQSZACIVSA-N 291.460 3.716 0 40 CHAB CCc1ccc([C@H](C)N[C@H]2CCO[C@@]3(CCSC3)C2)o1 110704204 ZZDNZXRLQJBYGM-XEZPLFJOSA-N 295.448 3.547 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1[C@@H](O)C2 123387145 YOGRGJCUTNCLJZ-MFXFBURESA-N 292.463 3.751 0 40 CHAB C/C(=C\c1csc(-c2ccco2)n1)c1cnccn1 221885561 FIFPAIAYSAASMB-JXMROGBWSA-N 269.329 3.754 0 40 CHAB Cc1ccccc1O[C@H](Cc1ccccc1Cl)C(=O)O 225055552 WRKUCSMSLCYMDL-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB CCOc1ccc(-c2noc(-c3cccc(N)c3C)n2)cc1 225172488 MYHJZNUVAFIXOJ-UHFFFAOYSA-N 295.342 3.693 0 40 CHAB Cc1c(N)cccc1[C@@H](O)c1cccc2ccccc12 226294489 KNWWJRIKCYOLHJ-GOSISDBHSA-N 263.340 3.812 0 40 CHAB c1ccc2nc(N3CCc4sccc4C3)ccc2c1 301089532 QOGLRYFMRBGOQE-UHFFFAOYSA-N 266.369 3.859 0 40 CHAB COc1cc(F)c(F)cc1C(=O)CCc1ccccc1 575358133 KWPPRIMIGOVPHI-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB OCc1cc(-c2cccs2)nc2cccc(F)c12 685937001 GIGIPKSENFPJPG-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(C)n1 498680 AEWHEGJBXLZVSK-UHFFFAOYSA-N 295.342 3.814 0 40 CHAB Cc1ccsc1/C=C1/SC(=O)N(C(C)C)C1=O 1018447 WWPNPPUTKILLFX-UXBLZVDNSA-N 267.375 3.501 0 40 CHAB COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OC 1387047 GOOMUHBHUSAARV-UHFFFAOYSA-N 299.305 3.530 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)OCCOc2ccccc2)C1(C)C 1719056 PLYKECUVQBIVEJ-CVEARBPZSA-N 288.387 3.847 0 40 CHAB O=C(COC(=O)c1ccccc1F)c1ccc(Cl)cc1 1948629 QOMDUAHIWZAACS-UHFFFAOYSA-N 292.693 3.519 0 40 CHAB Cc1cccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)c1 2182956 BDKDVLDEICODNB-UHFFFAOYSA-N 294.358 3.688 0 40 CHAB O=C(O)/C=C/c1c(-c2ccc(Cl)cc2)nc2ccccn12 2510926 LHNPJAJWNKTFSO-CMDGGOBGSA-N 298.729 3.753 0 40 CHAB O=C(O)CCCCCC(=O)c1cccc(Br)c1 2567378 IFRDHEMFAOLDFR-UHFFFAOYSA-N 299.164 3.667 0 40 CHAB CCCC[C@@H](NC=O)c1ccc(Cl)cc1Cl 3163837 UJGHPUAXFJNMKV-GFCCVEGCSA-N 260.164 3.971 0 40 CHAB CCCCCC[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 4562319 KHRMCTVZJNXFTQ-CQSZACIVSA-N 276.424 3.841 0 40 CHAB Cc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1 4696011 WVXQVKQLKRPAQB-CYBMUJFWSA-N 278.355 3.967 0 40 CHAB Cc1nc2cc(NC(=O)Nc3ccccc3F)ccc2n1C 4741715 GVGBFRJCRPTOAA-UHFFFAOYSA-N 298.321 3.665 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(F)cc1)C2 4958120 DWICXINJNFRVIU-MRRJBJDNSA-N 275.367 3.770 0 40 CHAB Cc1ccc(CSc2nnc([C@@H](N)CC(C)C)o2)cc1 5047174 BBZDPPNXUBIAKJ-ZDUSSCGKSA-N 291.420 3.716 0 40 CHAB O=C1c2ccccc2CC[C@]12N=NC[C@@H]2c1ccccc1 5053716 BBHOAMKKLRNTFS-SJLPKXTDSA-N 276.339 3.804 0 40 CHAB CCCCO[C@@H]1C[C@H]2c3ccccc3[C@@H]1c1cccc[n+]12 5120982 VCJVDCDMNOMMRL-IPMKNSEASA-N 280.391 3.598 0 40 CHAB Cc1ccc2nc(-c3cc4ccccc4oc3=N)[nH]c2c1 5129331 RMHDNTKNCCMULG-UHFFFAOYSA-N 275.311 3.764 0 40 CHAB CCCCCNC(=O)/C=C/c1ccc(Cl)cc1 5463671 CVHFESQJZSYYIM-JXMROGBWSA-N 251.757 3.660 0 40 CHAB CSCc1ccc(C(=O)NCc2ccccc2F)cc1 5630714 FFBIAOQWFOYVJX-UHFFFAOYSA-N 289.375 3.619 0 40 CHAB Cc1ccccc1NC(=O)Cc1c(C)nn(CC(C)C)c1C 7756885 WMAICJYARLGQSO-UHFFFAOYSA-N 299.418 3.646 0 40 CHAB O=C(OCc1nc2ccccc2o1)c1cc2ccccc2[nH]1 8131931 SBXDMFCDIBEDNA-UHFFFAOYSA-N 292.294 3.666 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1Cl 8936986 OVAKIUASEIQGMM-POYBYMJQSA-N 288.572 3.697 0 40 CHAB CCSc1nnc(NC(=O)c2cc(C)sc2C)s1 9050515 SWDBCTNOCNHMBT-UHFFFAOYSA-N 299.446 3.581 0 40 CHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2C)c1 9112352 QBBSLNLHYHXXLF-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB CSCc1cccc(C(=O)Nc2nc(C)cs2)c1 10554939 NTJCHNROHJPDBH-UHFFFAOYSA-N 278.402 3.567 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CC[C@H](c2ccccc2)C1 12020469 UEQDBZJTNOIEHV-HNNXBMFYSA-N 285.774 3.970 0 40 CHAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1Cl 12737221 NODHXACKAQEXMX-LLVKDONJSA-N 292.766 3.593 0 40 CHAB Cc1ccc(S(=O)(=O)Cc2cccc3cccnc23)cc1 12866194 WUOVGGILIVDBJQ-UHFFFAOYSA-N 297.379 3.517 0 40 CHAB S=C(c1ccc(Cl)c(Cl)c1)N1CCCC1 13943445 ZPRGDGPJBAWYDY-UHFFFAOYSA-N 260.189 3.765 0 40 CHAB CC(C)Oc1cccc(C(=O)Cc2ccccc2)c1 15441652 WGVIEODWNNRNNS-UHFFFAOYSA-N 254.329 3.899 0 40 CHAB COc1ccc([C@H](N)c2cccc(C(F)(F)F)c2)cc1 19415865 QJIFUHQJTOGINK-AWEZNQCLSA-N 281.277 3.762 0 40 CHAB C[C@H](N)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 20594509 DDJQFAXXZPWWOV-MORSLUCNSA-N 267.372 3.716 0 40 CHAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 22529346 BABPBKIFKVJVKG-MRXNPFEDSA-N 297.398 3.729 0 40 CHAB O=C(CCc1cccs1)Nc1ccc(F)cc1F 23130870 SYESOZYRNYVVFT-UHFFFAOYSA-N 267.300 3.598 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1C 25590110 RIQZVSQJARXFPD-QGZVFWFLSA-N 280.371 3.676 0 40 CHAB CCOc1ccc(Oc2ccccc2NC(C)=O)cc1 32750262 KBJFZWRGJKLWET-UHFFFAOYSA-N 271.316 3.836 0 40 CHAB Cc1ccsc1CNC(=O)CCc1ccc(F)c(F)c1 32816718 VLIRSDJTOATQEA-UHFFFAOYSA-N 295.354 3.584 0 40 CHAB COC(=O)c1c(/C=C/c2cccs2)cccc1OC 35973583 AQOZDKDUZBMCOB-CMDGGOBGSA-N 274.341 3.714 0 40 CHAB Cc1n[nH]cc1CN[C@@H]1CCSc2ccc(Cl)cc21 37073469 SUNCVWMNPCBADI-CYBMUJFWSA-N 293.823 3.698 0 40 CHAB CC1CCN([C@@H](CN)c2cccc(Cl)c2Cl)CC1 39034757 IEPJOPKFBLKRGT-ZDUSSCGKSA-N 287.234 3.725 0 40 CHAB COc1ccc(C)cc1NC(=O)N[C@H](C)c1ccc(C)o1 40097968 AXIJJDFVZJTKNO-GFCCVEGCSA-N 288.347 3.788 0 40 CHAB CCOC(=O)c1ccc(N2CCCc3ccccc32)c(N)c1 42783474 JTQUVCSVJCWVFS-UHFFFAOYSA-N 296.370 3.530 0 40 CHAB Cc1ccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1 45951857 ZWOZCAYKSPKENQ-GOEBONIOSA-N 290.407 3.712 0 40 CHAB O=C(COCC1CC1)Nc1ccc2c(c1)oc1ccccc12 58357053 VKSMEKGBZJQEFT-UHFFFAOYSA-N 295.338 3.951 0 40 CHAB Cc1cc(C(=O)N2CCC[C@H]2CC2CCCCC2)no1 61570560 KXAKRBJUJYJASF-AWEZNQCLSA-N 276.380 3.558 0 40 CHAB O=C(Cc1cccc(Cl)c1)Nc1ccc(F)cc1F 67787885 YEPFQLRNYMKZBX-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB Cc1cccnc1[C@@H]1CCCCN1C(=O)c1ccccc1 72211167 NVQLBAXESKBPKC-INIZCTEOSA-N 280.371 3.757 0 40 CHAB CC[C@@H](N)c1cnc(N2CCCc3ccccc32)c(C)c1 72222881 SEPNNMCUHQNCPH-MRXNPFEDSA-N 281.403 3.884 0 40 CHAB C[C@@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)[C@H](C)C1 72313568 LXCRJYGACYEXSY-ZIAGYGMSSA-N 298.390 3.525 0 40 CHAB C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(F)cc1 78556237 VITAQECVULGQBJ-WYRIXSBYSA-N 280.339 3.975 0 40 CHAB CN(CCCNc1nc2ccccc2o1)c1ccccc1F 83860831 NUHLEEJBLUYHHE-UHFFFAOYSA-N 299.349 3.905 0 40 CHAB Cc1cnc(N(C)Cc2ccc3ccccc3c2)nc1C 95449295 PAXYRJODTRUMRD-UHFFFAOYSA-N 277.371 3.883 0 40 CHAB Fc1cncc(F)c1C(F)(F)C(F)(Cl)Cl 96171920 OGMRPZHUNAUUBG-UHFFFAOYSA-N 265.996 3.553 0 40 CHAB CC[C@](C)(NC(=O)CC1=CCCCC1)c1nccs1 96416604 CEGCVOVZUTVESX-HNNXBMFYSA-N 278.421 3.775 0 40 CHAB C[C@@H](O)c1cccc(NC(=O)C2CCC(F)(F)CC2)c1 216480279 IUYYXEPBJQVLLJ-SNVBAGLBSA-N 283.318 3.504 0 40 CHAB CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1 225642690 MCOLAKYJRDHINH-YVEFUNNKSA-N 291.391 3.618 0 40 CHAB O=C(NCCSCc1ccccc1Cl)C1CCCC1 225860163 USUMITRZHDJWPM-UHFFFAOYSA-N 297.851 3.880 0 40 CHAB CC[C@H](C)OCc1c(Br)cnn1[C@H](C)CC 408715904 GOKLZAPBZSXMNR-ZJUUUORDSA-N 289.217 3.932 0 40 CHAB CC[C@H](C(=O)c1ccccc1OC(C)=O)c1ccccc1 575361771 LFBDWPIVZAAIBR-HNNXBMFYSA-N 282.339 3.988 0 40 CHAB O=C(c1cc(F)c(F)cc1Cl)N1CCCCCC1 89524 PXAKYMNUEQDHKP-UHFFFAOYSA-N 273.710 3.634 0 40 CHAB O=C(Nc1cccc2ccccc12)c1onc2c1CCCC2 385049 HZTHLNSSPBRDRX-UHFFFAOYSA-N 292.338 3.959 0 40 CHAB Cc1nc(Br)c(Br)c(C)c1C 480689 AGKZMFVFQKVRJQ-UHFFFAOYSA-N 278.975 3.532 0 40 CHAB Cc1nc(N2CCC[C@H](C)C2)c2oc3ccccc3c2n1 543525 VUPNUKFJSJXFQR-NSHDSACASA-N 281.359 3.921 0 40 CHAB Cc1ccc(OCCCC(=O)NC2CCCC2)c(C)c1 1913850 DAVDTSBKBZMLSR-UHFFFAOYSA-N 275.392 3.521 0 40 CHAB CCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 2573376 KXTGQPLJEJKCDR-UHFFFAOYSA-N 278.691 3.589 0 40 CHAB CCC[C@H](C)NC(=O)/C=C/c1ccccc1Cl 4590683 WEKQAIGQGHZRAC-USKTWTLRSA-N 251.757 3.658 0 40 CHAB CSc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 5222862 ZXXNPZDWRHRYDI-UHFFFAOYSA-N 285.368 3.863 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1cccc(OC)c1 5597345 QBLUXQUADZITNK-CYBMUJFWSA-N 263.381 3.641 0 40 CHAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(C)c2C)c1 5610304 MOFVQQXVOUYHEB-UHFFFAOYSA-N 297.354 3.651 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 6478019 SAGSRPFUFAHKDM-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB c1nc(Nc2ccc3c(c2)CCC3)c2sccc2n1 8710505 BJXDPQZHRSIGPD-UHFFFAOYSA-N 267.357 3.924 0 40 CHAB CC[C@H]1CCCCN1CCCOc1ccc(C=O)cc1 8731534 FFJLQVVISDKCDX-INIZCTEOSA-N 275.392 3.533 0 40 CHAB CCCCCC(=O)Nc1ccccc1OC(F)F 9141797 CXRUVVZQJOBKPI-UHFFFAOYSA-N 257.280 3.807 0 40 CHAB C[C@@H](CNC(=O)Nc1ccccc1)c1ccccc1 9315898 QLZMAEIJBWLQRN-ZDUSSCGKSA-N 254.333 3.612 0 40 CHAB CCc1ccc(CCC(=O)NCCSC(C)(C)C)cc1 10335808 RBEUDCFGIVZLKW-UHFFFAOYSA-N 293.476 3.830 0 40 CHAB Cc1cc(C)cc(NC(=O)c2ccc3nnsc3c2)c1 12274818 GMJGIBODWFBQHQ-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1cccc(N)c1C 19736334 OBIKKAHJEVHJRH-AWEZNQCLSA-N 298.386 3.600 0 40 CHAB C[C@H](NC(=O)NC1CCCC1)c1ccccc1Cl 20538703 MQDOXYAHNZDBJF-JTQLQIEISA-N 266.772 3.643 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 21197474 BJFUVADQBJJCDY-CYBMUJFWSA-N 271.335 3.934 0 40 CHAB CC(C)c1ccc(S(=O)(=O)NCC2=CCCCC2)cc1 22259239 GUXFTPKCDFJELA-UHFFFAOYSA-N 293.432 3.589 0 40 CHAB COc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1 23234123 IRJFOKBQVBHOLL-UHFFFAOYSA-N 270.332 3.956 0 40 CHAB Cc1ccc(-n2c(CNc3ccccc3)n[nH]c2=S)cc1 26439351 MCOLQQVYJOXLPD-UHFFFAOYSA-N 296.399 3.850 0 40 CHAB COc1ccc(N[C@H](C)c2nc(-c3ccco3)no2)cc1 26982524 PXBRAPAEJQALED-SNVBAGLBSA-N 285.303 3.511 0 40 CHAB CSc1ccc([C@H](C)NC(=O)CCc2ccco2)cc1 27162852 CXCATGDHCKMOGF-LBPRGKRZSA-N 289.400 3.812 0 40 CHAB CC(C)c1nc(CC(=O)Nc2ccc(F)cc2)cs1 32924035 VYTHHQMKVHTIQH-UHFFFAOYSA-N 278.352 3.587 0 40 CHAB CCOC(=O)c1cc(Cl)c(Cl)c(Cl)c1 34346976 ADSPWCLKYZTTFP-UHFFFAOYSA-N 253.512 3.824 0 40 CHAB Cc1ccccc1C(=O)Nc1ccccc1CN1CCCC1 40090879 BCLKPZSACTXHMF-UHFFFAOYSA-N 294.398 3.843 0 40 CHAB O=C(NC1CCCCC1)c1[nH]c2ccccc2c1Cl 40142888 PFDSYCCLXISHCG-UHFFFAOYSA-N 276.767 3.884 0 40 CHAB CCOC(=O)c1ccccc1-c1c(OC)cccc1OC 43503499 XZNKPZAMFXFZAD-UHFFFAOYSA-N 286.327 3.548 0 40 CHAB C[C@H]1COC(=O)N(c2ccc(-c3ccc(C=O)cc3)cc2)C1 44563535 JWYOJJDBRPLRJW-CYBMUJFWSA-N 295.338 3.759 0 40 CHAB C[C@@H](NC(=O)Nc1ccccn1)c1ccc(Cl)s1 46598844 CWNJYDKZBGCLLC-MRVPVSSYSA-N 281.768 3.679 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H](C)C1CC1 48113693 AJZDJOABTHKWQL-BXUZGUMPSA-N 290.407 3.699 0 40 CHAB NC1CCC(Sc2nc3ccccc3s2)CC1 55143721 WRNOFJPQIITWJE-UHFFFAOYSA-N 264.419 3.658 0 40 CHAB Cc1ccc(CN(C(=O)NCc2ccccc2)C(C)C)o1 56358833 RFQXKGKJQKWKPU-UHFFFAOYSA-N 286.375 3.708 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cccc3ncccc23)c1 57525300 GUQGZEKVFNTLOV-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB O=C(Cc1cccc(F)c1)N1CCSc2ccccc21 58007624 UXOSQZGLVYGABO-UHFFFAOYSA-N 287.359 3.507 0 40 CHAB Cc1cccc2sc(NCc3ccccn3)nc12 61968259 CYMMMUZSVIOARH-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB COc1ccc(-c2cc(-c3ccc(F)cc3)nc(N)n2)cc1 71977355 PINNGHAZGIRIKV-UHFFFAOYSA-N 295.317 3.541 0 40 CHAB Cc1cccnc1[C@H]1CCCN1C(=O)OCc1ccccc1 72211128 VTJONMYGOKPLIX-MRXNPFEDSA-N 296.370 3.864 0 40 CHAB Cc1cc(NC(C)(C)C)ncc1C(=O)c1ccccc1 72223969 RWBVRCIQEPIHLL-UHFFFAOYSA-N 268.360 3.831 0 40 CHAB c1cn(-c2ccc(-c3ccc(-n4ccnc4)cc3)cc2)cn1 73170078 MIFVIKFUGIBACJ-UHFFFAOYSA-N 286.338 3.725 0 40 CHAB COC(=O)CCCN1Cc2ccccc2-c2ccccc2C1 78760673 IXDRPJJYXZRGEL-UHFFFAOYSA-N 295.382 3.622 0 40 CHAB O=C(O)Cc1ccccc1Oc1cccc(Cl)c1 91690389 MSBNHUMUZQOHLU-UHFFFAOYSA-N 262.692 3.759 0 40 CHAB CCCCOc1c(C)cc(-c2noc([C@H](C)N)n2)cc1C 95095351 IRDFZGHQTHDGIK-LBPRGKRZSA-N 289.379 3.552 0 40 CHAB Cc1cc(O)ccc1NC(=O)[C@H]1SCCc2ccccc21 95431726 RVGYSMZOSQJOOY-INIZCTEOSA-N 299.395 3.670 0 40 CHAB Cc1cc(C(F)(F)F)nc(NCc2ccccc2C)n1 95469177 MZPWXNKILVTGRU-UHFFFAOYSA-N 281.281 3.724 0 40 CHAB Cc1noc(C)c1CNc1ccc(SC(F)F)nc1 97045558 PESRDAMDNXVCMM-UHFFFAOYSA-N 285.319 3.613 0 40 CHAB C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 98018466 YBPIJJVEHUEBRJ-LLVKDONJSA-N 292.354 3.631 0 40 CHAB COc1ccccc1NC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101012843 KSASYBXWKGARSH-SYQHCUMBSA-N 288.391 3.641 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101489385 GITAKVTZYVRZDB-SHFYGJNESA-N 287.403 3.640 0 40 CHAB COc1ccc(CC(=O)Nc2ccc(C)cc2C)cc1C 223652156 GWIZWVDUFOCSQB-UHFFFAOYSA-N 283.371 3.802 0 40 CHAB CC[C@H](NC(=S)Nc1ccncc1)c1ccccc1C 225759364 RLDFLSLKXIQXNI-HNNXBMFYSA-N 285.416 3.828 0 40 CHAB CC(=O)c1ccc2c(c1)N(CCCN)c1ccccc1S2 504752215 IHSDZMLFESXTNQ-UHFFFAOYSA-N 298.411 3.841 0 40 CHAB CCOC(=O)[C@H](c1ccc2ccccc2c1)[C@@H]1CCCCN1 606451963 OTQVTBPHZRARTL-ZWKOTPCHSA-N 297.398 3.629 0 40 CHAB in-vitro COC(=O)c1ccc(OCc2ccccc2)c2cc[nH]c12 1083813832 XZYJPZKDPBQDQW-UHFFFAOYSA-N 281.311 3.534 0 40 CHAB CCc1ccccc1NC(=O)c1cccc(OC)c1 311460 DLBYDLGBLBQWMQ-UHFFFAOYSA-N 255.317 3.510 0 40 CHAB c1ccc(-c2csc(-n3ncc4c3CCCC4)n2)cc1 387602 LMMVUSDXXSYOGY-UHFFFAOYSA-N 281.384 3.875 0 40 CHAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)cc1)c1ccccc1O2 422972 HKYLZEZPWSBFRR-RHSMWYFYSA-N 298.317 3.595 0 40 CHAB CNc1nc(-c2c(C)n(C)c3ccccc23)cs1 544548 NYAXVHINIJNPPG-UHFFFAOYSA-N 257.362 3.652 0 40 CHAB COc1ccccc1C1=N[C@H](c2ccc(C)cc2)N=C1C 1386250 VLZXHIOAOFAPFB-GOSISDBHSA-N 278.355 3.966 0 40 CHAB CNc1ccccc1C(=O)Nc1ccccc1Cl 1734754 IGHZHLIRWFWIEK-UHFFFAOYSA-N 260.724 3.634 0 40 CHAB CSc1ccc(NC(=O)NCCc2ccccc2)cc1 1741793 DXKBOGJRXFDGTP-UHFFFAOYSA-N 286.400 3.773 0 40 CHAB CCCCCNC(=O)c1c(-c2ccccc2)noc1C 2081873 UZPRXBHOQRHXNG-UHFFFAOYSA-N 272.348 3.570 0 40 CHAB Cc1ccc(NCc2c(C)[nH]c3ccccc3c2=O)cc1 2706769 UMCMFZVFGLVVPM-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1cccc(C)c1N1C(=O)c2ccc(Cl)cc2C1=O 3100089 ILWHHOSXTXSZSE-UHFFFAOYSA-N 285.730 3.757 0 40 CHAB CCOCCCNC(=O)c1sc2ccccc2c1Cl 4560005 QGVLFOGYRDWOSE-UHFFFAOYSA-N 297.807 3.711 0 40 CHAB CCC(CC)c1cc(C(=O)O)c2cccc(O)c2n1 5454864 QBEAWWFUDVVPRS-UHFFFAOYSA-N 259.305 3.542 0 40 CHAB COc1c(Cl)cc(Cl)cc1CNCC(C)C 5817283 ZKJBSOVDFVHZJG-UHFFFAOYSA-N 262.180 3.748 0 40 CHAB CCOc1ccc([C@H](C)c2cc3c(cc2O)OCO3)cc1 5962337 NYIJGHXLXKNTQR-NSHDSACASA-N 286.327 3.671 0 40 CHAB CCCOC(=O)C[C@@H](c1ccccc1)N1CCCCC1 6380578 GRDVFGSDHKMFIS-INIZCTEOSA-N 275.392 3.557 0 40 CHAB Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 6412789 UIZZVANKTJPXKT-UHFFFAOYSA-N 285.134 3.669 0 40 CHAB CCC[C@@H](C)NC(=O)CSCc1ccccc1Cl 6945465 CHTCGXGNJFVRAP-LLVKDONJSA-N 285.840 3.878 0 40 CHAB COc1cccc(NC(=S)NC2CCCCCC2)c1 7529876 KYLWCYDUWVCUMF-UHFFFAOYSA-N 278.421 3.704 0 40 CHAB O=C(Nc1ccc(F)cc1)c1cc2c(s1)CCC2 7638393 YCTCUOPXAGAXQY-UHFFFAOYSA-N 261.321 3.628 0 40 CHAB Cc1cccc(NC2=NN=C(c3ccccc3)CS2)c1 7849888 ZPIQYYWIVYBMAW-UHFFFAOYSA-N 281.384 3.914 0 40 CHAB O=C(Nc1ccccc1SC(F)F)c1ccccn1 8406712 CXFJEACAKWVISA-UHFFFAOYSA-N 280.299 3.649 0 40 CHAB Cc1ccc(NC(=O)N2CCC[C@H]2c2cccn2C)cc1 8993844 STLPGGZREUVKLH-INIZCTEOSA-N 283.375 3.703 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)c2ccccc2)c1C 9316961 HEDVJMMQKKZLLQ-CYBMUJFWSA-N 298.386 3.667 0 40 CHAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2)c1 9816900 MDXCYKKATITFFF-QGZVFWFLSA-N 299.370 3.881 0 40 CHAB CCOc1cccc(NC(=O)/C=C/c2ccc(OC)cc2)c1 10294044 SOWHAPNXLFUEJC-FMIVXFBMSA-N 297.354 3.746 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)Nc2c(F)cccc2F)c1 12598990 GZFVBOCQNDWKAN-LLVKDONJSA-N 291.297 3.679 0 40 CHAB Cc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12608876 YDVWZLRINJDPJI-UHFFFAOYSA-N 292.382 3.770 0 40 CHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1F 12623718 MQTGNRCXIMYCLM-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB CCONC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12848998 CXMCWJMJISTXDS-HNNXBMFYSA-N 287.384 3.588 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3ccccc3cc2O)C1 13001219 FRFBOIDLUJWXAD-CHWSQXEVSA-N 283.371 3.664 0 40 CHAB S=C(Nc1ccccc1)Nc1ccnc(Cl)c1 16490062 HLTWCYMRSAYZHP-UHFFFAOYSA-N 263.753 3.544 0 40 CHAB Cc1cc(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)ccc1F 16738460 AGAHXZNZDCBNEG-UONOGXRCSA-N 298.313 3.849 0 40 CHAB Nc1ccc(C(=O)Nc2cccc(Cl)c2)c(Cl)c1 20220970 SQTXSYJCRKYGPT-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Cc1ccoc1C(=O)NCc1cccc(C(F)(F)F)c1 21668397 KMGIEAPLIJJNSK-UHFFFAOYSA-N 283.249 3.537 0 40 CHAB C[C@@H](Sc1ccccc1)C(=O)N(C)C1CCCC1 22530973 ORKLVPKOCGSGBM-GFCCVEGCSA-N 263.406 3.568 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1ccnc(Cl)c1 25384771 UEHZYANMCDYRNG-AWEZNQCLSA-N 286.762 3.542 0 40 CHAB COc1ccc(C(=O)CC(C)C)cc1Br 34977057 CMOGQSYBDAIOJI-UHFFFAOYSA-N 271.154 3.687 0 40 CHAB CCC(=O)c1c[nH]c2ccc(Br)cc12 36925211 WVLPIVLOKYKIIO-UHFFFAOYSA-N 252.111 3.523 0 40 CHAB CCN(C(=O)NCc1ccc(C)cc1)C1CCCCC1 40119656 UUTBKFWXNWXXRY-UHFFFAOYSA-N 274.408 3.859 0 40 CHAB COC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1C 41079638 KRYDOTKEVOGHFQ-UHFFFAOYSA-N 290.750 3.761 0 40 CHAB CCOC(=O)Cc1ccc(-c2nc3ccccc3o2)cc1 41127108 YNIVOAFZRYZMAJ-UHFFFAOYSA-N 281.311 3.600 0 40 CHAB CC[C@H](C)c1ccc(OCC[C@H]2CCCNC2)cc1 42773226 QRBPPUWAVHFXJH-LSDHHAIUSA-N 261.409 3.969 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CC=CCC1 52988377 WMPQSAXTDBEOKI-VXGBXAGGSA-N 261.390 3.550 0 40 CHAB CC[C@@H](CO)N(Cc1ccsc1)Cc1sccc1C 55325618 WLZWOGXWZWZGGG-AWEZNQCLSA-N 295.473 3.891 0 40 CHAB CN(CCCCc1ccccc1)C(=O)c1cc(Cl)c[nH]1 56992489 WZUDTALKCQVMTJ-UHFFFAOYSA-N 290.794 3.763 0 40 CHAB Cc1cc(C2(N)CCCCC2)ccc1Br 71599599 QYFZYUMPVCCQHL-UHFFFAOYSA-N 268.198 3.876 0 40 CHAB Cc1cc(C[C@@H]2CCC[C@H]2NCCCc2ccccc2)on1 72395101 WUQLCNDYMPPRCM-PKOBYXMFSA-N 298.430 3.917 0 40 CHAB C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 72398475 IAFWDNUHCNWVCC-JQFCIGGWSA-N 294.398 3.597 0 40 CHAB O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCCCC1 73260869 MBJOGKBBIGAYSD-OLZOCXBDSA-N 297.320 3.821 0 40 CHAB CCCCN(CCCC)C(=O)COc1ccc(F)cc1 75496686 SUGHWGLIGVAARY-UHFFFAOYSA-N 281.371 3.633 0 40 CHAB C[C@H]1CCN(Cc2cscn2)[C@H](c2ccco2)C1 76090245 VJKUZCRYJDKHIE-AAEUAGOBSA-N 262.378 3.709 0 40 CHAB CCOC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1 82725750 OSXWGQCZIUQALB-UHFFFAOYSA-N 277.147 3.957 0 40 CHAB CC(C)n1ccc(C[S@@](=O)[C@@H](C)c2cccs2)n1 95418333 YKGFTMGAHKXHRS-VOJFVSQTSA-N 282.434 3.535 0 40 CHAB CCC/C=C/CCN1CCC(OCC(C)C)CC1 95442943 ILGHWIIBAHDPCP-VOTSOKGWSA-N 253.430 3.870 0 40 CHAB COC(=O)C[C@@H](C)CC(=O)c1cc(Cl)cc(Cl)c1 95728769 XJTFIYGZBXBYGH-QMMMGPOBSA-N 289.158 3.765 0 40 CHAB COc1cccc(C(=O)c2cc(F)cc(Cl)c2)c1 95916207 NTQHBIDKRVUGOR-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CCc1cc(N(C)[C@H](C)C(C)C)nc(-c2ccccn2)n1 95959041 FIQWLGJWHRFMNK-CYBMUJFWSA-N 284.407 3.582 0 40 CHAB O=C(O)c1ccc(NN=C2CC(c3ccc(F)cc3)C2)cc1 95965665 GMFJYVBIDYQLPH-UHFFFAOYSA-N 298.317 3.869 0 40 CHAB CSCC[C@@H](C)NC(=O)c1ccccc1C(F)(F)F 96412315 FNHSLMORBNPDJQ-SECBINFHSA-N 291.338 3.577 0 40 CHAB Cc1nc(CSc2ncc(C(C)(C)C)o2)oc1C 96474559 BIONXCDKWXAHKU-UHFFFAOYSA-N 266.366 3.869 0 40 CHAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)s1 104810841 RELNPVHRGMKICG-VZZFWQQMSA-N 277.433 3.919 0 40 CHAB O=C(CC1CC1)N1CCS[C@H](c2ccccc2F)CC1 219124445 XJBAYKWAGXTZGN-HNNXBMFYSA-N 293.407 3.632 0 40 CHAB CCCN1c2ccc(C(=O)O)cc2[C@@H](C)CC1(C)C 223777122 AZXGMAABWKGVSI-NSHDSACASA-N 261.365 3.887 0 40 CHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1 225649419 PATIQGQNHPYUGO-QGZVFWFLSA-N 293.407 3.865 0 40 CHAB CC(C)CC(=O)Nc1cc(C(=O)O)cc(Cl)c1Cl 226354384 USNPILLWDJLFEC-UHFFFAOYSA-N 290.146 3.676 0 40 CHAB CC[C@@H](C)N1CCC(COc2ccncc2Cl)CC1 1889090355 OQFSGZDGVFLUBJ-GFCCVEGCSA-N 282.815 3.624 0 40 CHAB CSc1ccc2nc(NC[C@@H]3CCCO3)cc(C)c2c1 23634755 YCUGPXLRDDQLRM-LBPRGKRZSA-N 288.416 3.856 0 40 CHAB COC(=O)NC(=C(Cl)Cl)c1ccc(C)c(F)c1 3177616 OMILIZJEOLMZIW-UHFFFAOYSA-N 278.110 3.594 0 40 CHAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 3830764 VOXZDWNPVJITMN-KFGODFMUSA-N 272.388 3.609 0 40 CHAB Cc1csc(S[C@H](C)C(=O)NC2CCC(C)CC2)n1 23958127 KMQBMGAEYSLVEX-CKBZRRDASA-N 298.477 3.627 0 40 CHAB CNCc1cn(Cc2ccccc2)nc1-c1cccc(C)c1 24321375 VILYHLBCXJNBJN-UHFFFAOYSA-N 291.398 3.626 0 40 CHAB CCn1c(-c2cccnc2Cl)nc2ccccc21 1386034 VWVCISLTKOUKRT-UHFFFAOYSA-N 257.724 3.772 0 40 CHAB CC/N=C1\S/C(=C/c2cccc(Cl)c2)C(=O)N1CC 109596728 SSNMXSNJPBBUHA-XATUQZFKSA-N 294.807 3.652 0 40 CHAB CC[C@@H](NC1CC1)c1cccc(Br)c1 37183806 BNGPPIHTVAQZLJ-GFCCVEGCSA-N 254.171 3.652 0 40 CHAB Cc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1 3577870 KRKKGRGCAYQUBM-UHFFFAOYSA-N 292.382 3.725 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1F 13325346 OAVFVIRSMKLNPH-SKDRFNHKSA-N 268.307 3.665 0 40 CHAB Clc1ccc(-c2ccnc(-n3cccc3)n2)s1 4088644 FVCAAUADNSOSIV-UHFFFAOYSA-N 261.737 3.649 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1nnc(SCC)s1 4155398 QPPLUUKWCGQLSI-SECBINFHSA-N 287.454 3.805 0 40 CHAB O=c1c(O)c(/C=C/c2ccccc2)oc2ccccc12 6060632 FVCHDTCZUBXONT-ZHACJKMWSA-N 264.280 3.669 0 40 CHAB O=C(/C=C/C1=Cc2ccccc2OC1)Nc1ccccc1 5034366 BWLZTRBHFVBSSO-ZHACJKMWSA-N 277.323 3.657 0 40 CHAB Cc1ccc(C)c(NCc2cc3ccccc3[nH]c2=O)c1 5025509 ZHJGLPLXXBGAHK-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB O=C(Cc1cccs1)Nc1cccc(Cl)c1F 9252842 MSYRDNGCSLVTAD-UHFFFAOYSA-N 269.728 3.722 0 40 CHAB CCc1sc(C(=O)Nc2ncccc2C)cc1C 5701578 MHJVKLRYZXMWPH-UHFFFAOYSA-N 260.362 3.575 0 40 CHAB O=C(CCc1ccco1)Nc1ccc(Cl)cc1F 15077594 MNIVJLIQXGTGNO-UHFFFAOYSA-N 267.687 3.643 0 40 CHAB Cc1cc(NC(=O)[C@H](C)Oc2cccc3ccccc23)no1 9450350 AILKDOKXBZKGQU-LBPRGKRZSA-N 296.326 3.542 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CC=CCC1 7264058 ISJTXURYVWWHTO-GOEBONIOSA-N 255.361 3.537 0 40 CHAB COCc1nc2cc(NCc3sccc3C)ccc2o1 80342832 DJTQUBBXJJOTCJ-UHFFFAOYSA-N 288.372 3.956 0 40 CHAB COc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1 19908958 NHIUKCJAMTZFSC-MLGOLLRUSA-N 271.360 3.701 0 40 CHAB C[C@H](OC(=O)C[C@H](C)C1CC1)c1nc2ccccc2[nH]1 95392631 YERIVVDVYXTFMF-QWRGUYRKSA-N 272.348 3.603 0 40 CHAB C[C@H]1CCCC[C@@H]1OCCNc1cnc2ccccc2n1 95951817 QMWNOOZMQJMRQJ-BBRMVZONSA-N 285.391 3.637 0 40 CHAB CCO[C@@H]1C[C@H](NCc2cccc(OC)c2)C12CCCC2 85679960 OBCFGXJHXMMKAL-DLBZAZTESA-N 289.419 3.523 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCCCCC1 22532359 HYHJMHVMYTXTIO-MRXNPFEDSA-N 289.419 3.863 0 40 CHAB CC(C)Oc1cccc([C@]2(C)CCN(C)C[C@@H]2C)c1 34508705 MBZFTKIQJBBOSB-WMLDXEAASA-N 261.409 3.703 0 40 CHAB O=C(NCc1ccccc1)N1CCC[C@H]1c1ccccc1F 36621088 CGQYOQQIGKCRPT-KRWDZBQOSA-N 298.361 3.872 0 40 CHAB Cc1cc(C(=O)c2cc(Cl)cc(Cl)c2)ccn1 45038615 RJMAUHYBZZUBLC-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB O=C(NCCCc1ccc(Cl)cc1)c1cccc(F)c1 224957242 DRGZKWIIJREHNM-UHFFFAOYSA-N 291.753 3.842 0 40 CHAB C[C@@H](NC[C@H]1CCCO1)c1ccccc1OC1CCCC1 225162280 RDERECKJMXNEPY-GDBMZVCRSA-N 289.419 3.838 0 40 CHAB CCc1ccc(CC(=O)N[C@@H]2CCCc3ccccc32)cc1 225074961 MLSJPBGNCXYKCO-LJQANCHMSA-N 293.410 3.985 0 40 CHAB CCc1nc2cc(C(=O)Nc3cccc(C)c3)ccc2n1C 225896165 TUZJENFQMRDZDV-UHFFFAOYSA-N 293.370 3.696 0 40 CHAB Fc1ccc(Cl)cc1NCc1nc(-c2ccco2)no1 44072775 MYYILJGUHJLHQH-UHFFFAOYSA-N 293.685 3.734 0 40 CHAB O=Cc1cccn1-c1ccc(Cl)cc1Br 88123506 VOFJYWPESNPVCR-UHFFFAOYSA-N 284.540 3.706 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2cc(C)cc(C)n2)c1 89224870 GWHRVSCXMMAQOB-UHFFFAOYSA-N 254.333 3.568 0 40 CHAB CCC1(CC)C[C@H](NC(=O)C(C)C)c2ccccc2O1 225148184 FNIUDLRINQCHMO-AWEZNQCLSA-N 275.392 3.841 0 40 CHAB COc1ccc(C(=O)c2cccc(SC)c2)cc1F 95917216 GVZDRZOOKIBSEY-UHFFFAOYSA-N 276.332 3.787 0 40 CHAB CN(Cc1cc(Br)cs1)C(=O)C(C)(C)C 48069656 KTNQUQHWBTWZEO-UHFFFAOYSA-N 290.226 3.515 0 40 CHAB CC(C)N(C(=O)COCCc1ccccc1)c1ccccc1 58693755 UURGNUGQGUYBQB-UHFFFAOYSA-N 297.398 3.687 0 40 CHAB COCc1ccccc1CNC(=O)Nc1cc(C)ccc1C 40094992 GPGNQFIJUUWFBH-UHFFFAOYSA-N 298.386 3.772 0 40 CHAB CC[C@@H](NCCn1cc(C)cn1)c1cccc(Cl)c1 89947855 RKOQBXYGPHTPSD-OAHLLOKOSA-N 277.799 3.586 0 40 CHAB CC(C)(C)CCNC(=O)NC[C@@H]1CCCc2ccccc21 62009716 DLYGQHFVLOCPAT-HNNXBMFYSA-N 288.435 3.842 0 40 CHAB c1ccc(-c2nnc(CNC3CCCCCC3)o2)cc1 12374334 MIXBVMRRUVNAMU-UHFFFAOYSA-N 271.364 3.549 0 40 CHAB Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C)c1 17321925 JMBNRTHXFHZGFS-UHFFFAOYSA-N 265.356 3.502 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1cccnc1Cl 161014 FBUKKWOCTWFCGO-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB Cc1cc(C)n2cc(CSc3ccccc3)nc2n1 1281016 CSIKQPBGGIKENN-UHFFFAOYSA-N 269.373 3.638 0 40 CHAB O=C(CSc1ncnc2ccccc12)c1cccs1 6871384 XAOCYKOKAORRRU-UHFFFAOYSA-N 286.381 3.666 0 40 CHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2)o1 16705364 QZHMVMJANOZTRA-FSEJROPFSA-N 281.355 3.733 0 40 CHAB CC(C)(C)[C@H](O)[C@@H](Oc1ccc(Cl)cc1)n1ccnc1 5114294 JRGUJQIBKGUMHR-ZIAGYGMSSA-N 294.782 3.521 0 40 CHAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccnc1 36329 HXLWYXFNMBZDTM-ONGXEEELSA-N 285.174 3.611 0 40 CHAB Cc1cc2cc(CNC(=O)Nc3ccccc3)ccc2[nH]1 429829 NNLXUOHCCNJYIT-UHFFFAOYSA-N 279.343 3.798 0 40 CHAB O=C(NCCc1ccc(F)cc1)Nc1c[nH]c2ccccc12 5299910 IDXJPBMTJXUJOC-UHFFFAOYSA-N 297.333 3.671 0 40 CHAB C[C@H](c1ccccc1)N1CCC(Oc2nccs2)CC1 2086884654 DIPHSAWPNCAGCO-CYBMUJFWSA-N 288.416 3.748 0 40 CHAB COc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 38567336 MNABBSTYEZJZEH-OAHLLOKOSA-N 296.370 3.717 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)o1)Nc1cccs1 575610040 JIKCKRAQQZNXSW-UHFFFAOYSA-N 288.328 3.923 0 40 CHAB Cc1ccc(C)c(C2=NN(c3ccccc3)C(=O)CC2)c1 39557171 YYIZDVUEMBLVFD-UHFFFAOYSA-N 278.355 3.835 0 40 CHAB CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 40103359 YLZJTBMMQDYCSU-UHFFFAOYSA-N 280.371 3.839 0 40 CHAB CCc1nc(NC(=O)c2ccc(C)s2)sc1C 40118953 VQHBXZZJYKGRDA-UHFFFAOYSA-N 266.391 3.636 0 40 CHAB CC(=O)Nc1sc(C)c(C)c1CN1CCC(C)CC1 33029256 UCSQSFZOGAIYJG-UHFFFAOYSA-N 280.437 3.555 0 40 CHAB CCOc1ccccc1C(=O)Nc1c(C)cccc1C 482845 BHWAWVRXEWKXKL-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCOc1nc(-c2ccccc2)ccc1-c1noc(C)n1 498714 RMMYJUQKLROKRM-UHFFFAOYSA-N 281.315 3.506 0 40 CHAB Cc1cccc(N[C@@H]2OC(=O)c3ccccc32)c1C 202901 NAEDYDIANMTQJU-OAHLLOKOSA-N 253.301 3.585 0 40 CHAB CCOc1nc(C)ccc1-c1noc(-c2cccs2)n1 387924 KTZVGAFMHVUBHJ-UHFFFAOYSA-N 287.344 3.567 0 40 CHAB CC(=O)Nc1ccc2c(c1)CN(c1ccc(C)cc1C)CO2 534408 KREPYSQUAQFZJL-UHFFFAOYSA-N 296.370 3.618 0 40 CHAB Cc1cccc(C)c1OC(=O)C(Cl)(Cl)Cl 1653880 GLOBHTVVKOQQCE-UHFFFAOYSA-N 267.539 3.579 0 40 CHAB CC(=O)Nc1ccc(OCc2ccccc2)c(C)c1C 1748818 AZGGTQWWVKNHOB-UHFFFAOYSA-N 269.344 3.841 0 40 CHAB C=C(c1ccccc1)[n+]1ccc(C(=O)c2ccccc2)cc1 2570497 MRJGLHZFSBOKSX-UHFFFAOYSA-N 286.354 3.724 0 40 CHAB COc1ccc2nc(NCc3ccccc3)sc2c1 2617006 BMGAUNIDKBRZJM-UHFFFAOYSA-N 270.357 3.917 0 40 CHAB Cc1nc2c(C)cccn2c1C(=O)Nc1ccc(Cl)cc1 3029439 SMSBUIKZMGAVPI-UHFFFAOYSA-N 299.761 3.857 0 40 CHAB CCCCCNC(=O)COc1ccc(Cl)cc1Cl 3188197 UMZSOQHGNUNNEC-UHFFFAOYSA-N 290.190 3.679 0 40 CHAB Cc1ccccc1OCCCn1c(=O)sc2ccccc21 4503893 VDMDAIAKZNLKEY-UHFFFAOYSA-N 299.395 3.841 0 40 CHAB c1c(C23CC4CC(CC(C4)C2)C3)nc2n1CCCC2 4576425 OTWVMBQJKNLUSG-UHFFFAOYSA-N 256.393 3.687 0 40 CHAB CCC(CC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4723564 GEGJDKOGTJJDTQ-UHFFFAOYSA-N 283.799 3.802 0 40 CHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(F)(F)F 4831078 ATXCXBAHNZQECW-IVZWLZJFSA-N 252.276 3.553 0 40 CHAB c1ccc(C23c4ccccc4C2c2ccccc23)nc1 5010887 QCJWQYMHBWKDFW-UHFFFAOYSA-N 255.320 3.875 0 40 CHAB Cc1ccc(C(=O)Nc2ncnc3sccc23)c(C)c1 5299488 SZTZWEMUZGLSHI-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB Cc1cc(N(CCO)c2ccccc2)nc2ccccc12 5337032 IOWWJUBTZWPTMC-UHFFFAOYSA-N 278.355 3.674 0 40 CHAB CCCCC(=O)Nc1nonc1-c1ccc(Cl)cc1 5427379 RNLFRISMKXJNOU-UHFFFAOYSA-N 279.727 3.519 0 40 CHAB Cc1nc(-c2c(F)cccc2Cl)sc1C(=O)O 5592379 RQZFUHBUZBIHEU-UHFFFAOYSA-N 271.700 3.609 0 40 CHAB CC(C)[C@@H](C(=O)CCN(C)C)c1ccc(Cl)cc1 5963258 NTFQBQOOTJCIEC-OAHLLOKOSA-N 267.800 3.600 0 40 CHAB Cc1oc2ccc(O)cc2c1C(=O)Nc1ccccc1 6174069 SUYMBMZOHMWECR-UHFFFAOYSA-N 267.284 3.699 0 40 CHAB CCc1ccccc1NS(=O)(=O)c1cc(C)ccc1C 7050658 QNVCEQYZCUVUQQ-UHFFFAOYSA-N 289.400 3.667 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7306566 NMLDQJOMSUZIDH-XPUUQOCRSA-N 277.673 3.953 0 40 CHAB C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccco1 7741293 FLRGCFPONVSBRE-CYBMUJFWSA-N 279.339 3.853 0 40 CHAB C(=C\c1csnn1)\c1ccc(/C=C\c2csnn2)cc1 8655446 VSOOOCVTXWGMNV-SFECMWDFSA-N 298.396 3.730 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc(F)c(F)c1 8943467 YHNXFVJKSUFRGD-UHFFFAOYSA-N 277.270 3.534 0 40 CHAB COc1ccc(C)cc1NC(=O)c1ccc2ncsc2c1 10026184 QGICDOQIFHPDIK-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB Clc1ccccc1-c1noc(-c2cc(C3CC3)[nH]n2)n1 10273302 NNIHRBLFDZZJSW-UHFFFAOYSA-N 286.722 3.658 0 40 CHAB O=C(NCC1CCCCC1)c1csc(-c2ccco2)n1 12901412 JYNLRLTZXQXIJZ-UHFFFAOYSA-N 290.388 3.713 0 40 CHAB c1ccc(-c2ccccc2OCC2CCNCC2)cc1 14631427 GIUZGBNKXKPNHV-UHFFFAOYSA-N 267.372 3.732 0 40 CHAB in-vitro COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1C 15605769 BRQBUFSTRHMJGT-UHFFFAOYSA-N 281.355 3.745 0 40 CHAB Cc1nc2ccccc2nc1CN(C)c1ccccc1 16265152 FAEFTPUSGDRSHJ-UHFFFAOYSA-N 263.344 3.575 0 40 CHAB C[C@H](NC(=O)c1ccc(F)cc1Cl)C(C)(C)C 16989706 ZXAFCSMULBGESD-QMMMGPOBSA-N 257.736 3.644 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)CN1[C@@H](C)CCC[C@H]1C 17009339 MOAYJGSEGKYGEV-BETUJISGSA-N 284.403 3.922 0 40 CHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 17023880 KWNRKRLIBIWIRX-KBPBESRZSA-N 295.448 3.763 0 40 CHAB Cc1ccc(CN(C)C(=O)c2ccccc2Cl)cc1 20112051 BJTKAALPXKJKSY-UHFFFAOYSA-N 273.763 3.921 0 40 CHAB Cc1ccccc1OC(=O)c1cc(-c2ccccc2)on1 20896619 HGJYQUJLIUXWOG-UHFFFAOYSA-N 279.295 3.869 0 40 CHAB COc1ccc(SCc2noc(-c3ccco3)n2)cc1 23030588 YMLBQPRGBWRQKG-UHFFFAOYSA-N 288.328 3.631 0 40 CHAB Cc1cccc(C(=O)NC[C@H](C)c2ccccc2)c1 23080266 GPCVQNGCFUINMB-AWEZNQCLSA-N 253.345 3.529 0 40 CHAB Cc1noc(CNc2ccccc2-c2ccccc2)n1 24662061 UGRRQKOBIBAAKE-UHFFFAOYSA-N 265.316 3.657 0 40 CHAB Cc1ccsc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 28225734 BBIORMIEOXGLFU-QMMMGPOBSA-N 292.429 3.890 0 40 CHAB c1ccc(-c2nc(CSC3=NCCS3)cs2)nc1 40039306 JKFYSPRFTLMRQW-UHFFFAOYSA-N 293.442 3.541 0 40 CHAB CCCC(=O)NCC1(c2ccccc2)CCCCC1 40082617 IRCAVSQRRVRHAE-UHFFFAOYSA-N 259.393 3.805 0 40 CHAB Cc1cc(N/N=C2/CCCCc3ccccc32)nc(C)n1 43988772 HKYCBAOXDOJVGQ-SILNSSARSA-N 280.375 3.636 0 40 CHAB O=C(NCc1ccc2ccccc2c1)C1CCCC1 45201237 DDSWJOQVZUZZSF-UHFFFAOYSA-N 253.345 3.646 0 40 CHAB COCc1cccc(Nc2nc3ccccc3o2)c1 58357888 BZZLQUVQISOWCB-UHFFFAOYSA-N 254.289 3.718 0 40 CHAB Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)c2[nH]ncc12 58441097 YQQSASWIHCMUDH-UHFFFAOYSA-N 291.354 3.612 0 40 CHAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)c1 59351582 SMGQEVVYEBTWED-INIZCTEOSA-N 297.398 3.868 0 40 CHAB Cc1n[nH]cc1CN[C@@H](CC(C)C)c1cccs1 65464965 OKBGTLFXEGZDDT-ZDUSSCGKSA-N 263.410 3.657 0 40 CHAB C[C@@H](C1CC1)N(C)C(=O)c1ccnc(Oc2ccccc2)c1 69586233 QJEGYIKUXDIXNO-ZDUSSCGKSA-N 296.370 3.744 0 40 CHAB CCOC(=O)c1cn[nH]c1-c1ccc(C(C)(C)C)cc1 71980835 SHOOWZYNDVZXTM-UHFFFAOYSA-N 272.348 3.551 0 40 CHAB CCCOc1ccc(/C=C/C(=O)OCC)cc1Cl 72209101 SRPQIOJNDAEIPK-SOFGYWHQSA-N 268.740 3.705 0 40 CHAB Cc1ccc(CSCC(=O)N2CCCC2(C)C)cc1 72242409 DFQMLLJNHTUZRT-UHFFFAOYSA-N 277.433 3.629 0 40 CHAB O=C(Nc1cccc(F)c1)N1CC[C@@H]1c1ccccc1F 75103807 VWBNQBFFBYALNC-OAHLLOKOSA-N 288.297 3.944 0 40 CHAB Clc1ccc(-c2nccn2C2CCNCC2)cc1Cl 82735857 GXKSONQXHYIVGQ-UHFFFAOYSA-N 296.201 3.781 0 40 CHAB CC(C)Oc1ccc2nc(Br)sc2c1 85389830 OKCFPLFSXVRRFE-UHFFFAOYSA-N 272.167 3.846 0 40 CHAB Fc1ccc([C@@H](CC(F)(F)F)NC2CCOCC2)cc1 90969053 VWFBAXGCNDTYQN-CYBMUJFWSA-N 291.288 3.588 0 40 CHAB FC(F)(F)c1cnc(-c2cc[nH]c(=S)n2)c(Cl)c1 91695663 CIBHKLSBBQYHTM-UHFFFAOYSA-N 291.685 3.873 0 40 CHAB c1csc(-c2n[nH]cc2CN2CCc3ccccc32)c1 95467737 IPZRISQIEVOQNT-UHFFFAOYSA-N 281.384 3.701 0 40 CHAB Cc1cc(OCc2noc(C3CC3)n2)c2cccc(C)c2n1 95992747 MIRRGRFRHSYPMH-UHFFFAOYSA-N 295.342 3.691 0 40 CHAB O=C(Nc1cnc(C2CC2)nc1)c1sccc1C1CC1 96403942 HNBIUVMHWUAHES-UHFFFAOYSA-N 285.372 3.545 0 40 CHAB O=C(O)C1(Cc2ccccc2C(F)(F)F)CCC1 98214077 FBHGPVFFIFTFSV-UHFFFAOYSA-N 258.239 3.503 0 40 CHAB C[C@]12CCCC[C@@H]1C[C@H](O)[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)CCC[C@@H]12 123391383 TUAKQCBZMOACQA-OQZODWCVSA-N 292.463 3.751 0 40 CHAB Cc1cccc([C@H](O)CN[C@H]2CCCNc3ccccc32)c1 193027400 URJHURDWQYJVKV-RBUKOAKNSA-N 296.414 3.565 0 40 CHAB CCc1nc(CNc2nnc(C3CCCCC3)o2)cs1 195552193 WFPOGEFLJNFBIT-UHFFFAOYSA-N 292.408 3.748 0 40 CHAB COc1cccc2c(SCc3cc(C)on3)ccnc12 195571483 JQHWDDMXYIOWIE-UHFFFAOYSA-N 286.356 3.832 0 40 CHAB COc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2C)cc1 222819501 WGYZXMJMOQUTBN-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB CC[C@H](C)CCOC(=O)c1snnc1-c1cccs1 223846444 JNHFXWJKUBFEPU-VIFPVBQESA-N 296.417 3.860 0 40 CHAB CCC(=O)Nc1c(CC)cc(Br)cc1CC 226097918 IOQRGOXISIBHRU-UHFFFAOYSA-N 284.197 3.922 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3)o2)C1 226301578 IGWMOTYUURKSKU-CHWSQXEVSA-N 298.386 3.647 0 40 CHAB C=Cc1ccc(C(=O)COCc2ccccc2)cc1 382690331 HYFACMFBMZAATL-UHFFFAOYSA-N 252.313 3.729 0 40 CHAB CCCOCc1nn(C2CCCC2)cc1Br 408716034 IFDVMLODPDFKDE-UHFFFAOYSA-N 287.201 3.687 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 515470949 JUWCQSASYSYFDE-YDHLFZDLSA-N 275.779 3.511 0 40 CHAB CCC[C@@H](C(=O)c1ccc(C)c(C)c1)N1CCCC1 575598505 IKKXRCRMSQZNLG-INIZCTEOSA-N 259.393 3.751 0 40 CHAB in-vitro O=C(Cc1cccc2ccccc12)N1CCC[C@H](CF)C1 881591230 KIWARNFJWGKNGE-CQSZACIVSA-N 285.362 3.590 0 40 CHAB O=C1C=CC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 71266 SEQAWNPOKAZYCO-UHFFFAOYSA-N 299.713 3.562 0 40 CHAB COc1ccccc1CNc1ncnc2sc(C)c(C)c12 215480 XHEKHSZZIFFINL-UHFFFAOYSA-N 299.399 3.929 0 40 CHAB CCSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 422634 SOCFPZXWDGPILF-UHFFFAOYSA-N 296.399 3.750 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2C1 576072 RSTTZEFIQUOSMC-OKILXGFUSA-N 289.762 3.576 0 40 CHAB CC[C@@H](O)c1ccc(OCc2cccnc2Cl)cc1 78869086 HJKGKAXUCGGBQK-CQSZACIVSA-N 277.751 3.757 0 40 CHAB C[C@@]12CC[C@H]3c4ccc(O)cc4C=C[C@@H]3[C@@H]1CCC2=O 4370098 WTRRIQCGCGCMQA-NBOOPKSLSA-N 268.356 3.898 0 40 CHAB C[C@H](NC(=O)Nc1ccncc1)c1ccccc1Cl 43182322 KLDFGYODLURRKJ-JTQLQIEISA-N 275.739 3.618 0 40 CHAB Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 100825051 SIQGKPGBLYKQBB-ILXRZTDVSA-N 257.377 3.987 0 40 CHAB C[C@H]1CCCCN1C(=O)c1ccc2c3c(cccc13)CC2 59843217 AAASWXLGHGCCEE-ZDUSSCGKSA-N 279.383 3.953 0 40 CHAB C[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13616300 ZYFARORWTRCJDY-MLGOLLRUSA-N 264.328 3.576 0 40 CHAB COc1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1 4340555 LWTHOCBZFFQOLY-YRNVUSSQSA-N 276.359 3.843 0 40 CHAB CC(C)(C)N1CO[C@H](c2cc(Cl)c(N)c(Cl)c2)C1 21983050 XJOOPZUCOGIFIX-NSHDSACASA-N 289.206 3.705 0 40 CHAB COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2s1 6486936 PKRYSGKDHHKOMQ-LURJTMIESA-N 287.793 3.603 0 40 CHAB CCCCc1ccc(NC(=O)c2cccc(O)c2)cc1 4673167 SJGOQAQMGLBDSM-UHFFFAOYSA-N 269.344 3.987 0 40 CHAB CC[C@@H](C(=O)Nc1ccc(Cl)cn1)c1ccccc1 4680059 ZQUVMYUEWDEPFW-CYBMUJFWSA-N 274.751 3.867 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CN[C@H]1CCCC[C@H]1C 6604168 HJCZAXHJTSFZEY-RISCZKNCSA-N 294.826 3.755 0 40 CHAB C1=C[C@H](Sc2nccn2Cc2ccccn2)CCC1 71903283 MRDWXPWZXPSIKY-AWEZNQCLSA-N 271.389 3.527 0 40 CHAB C[C@@H](C(=O)Nc1ccccc1)N1CC[C@H](c2ccccc2)C1 69737533 HULAMQHRSAXYQB-RDJZCZTQSA-N 294.398 3.503 0 40 CHAB COC(=O)/C=C/c1ccccc1OCc1ccc(C)cc1 62715330 CKSUEKAZOZTMDV-VAWYXSNFSA-N 282.339 3.760 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)[C@@H](COC(=O)c2ccccc2)C1=O 3845727 VFYMSGHHSKKLOQ-VNQPRFMTSA-N 288.387 3.731 0 40 CHAB biogenic Brc1ccc2c(c1)ncn2Cc1ccccc1 32500698 FPDLPMGXYMEYLH-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB COCc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1 32905300 FLNWAZIMQLATPA-GOSISDBHSA-N 295.382 3.593 0 40 CHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3ccccc32)c1 219540131 WLXKCLJUCNBXKP-HNNXBMFYSA-N 295.382 3.660 0 40 CHAB Cc1cc([C@@H](C)N)cnc1SC1CCCCC1 72222798 BDNXJUGOGFLWFI-LLVKDONJSA-N 250.411 3.835 0 40 CHAB Cc1nc(C)c(C(=O)N2CC[C@H](C)CC[C@@H]2C(C)C)o1 73793540 BSEWZPVIJZJTJI-BXUZGUMPSA-N 278.396 3.578 0 40 CHAB CCc1ccc(NC(=S)NCCCc2ccco2)cc1 225804603 PRBMYUGUKBKIRL-UHFFFAOYSA-N 288.416 3.761 0 40 CHAB COc1ccc(CNCc2ccc(CC(C)C)[nH]2)cc1 226020011 QZRUVGQMZAGLAF-UHFFFAOYSA-N 272.392 3.512 0 40 CHAB CC(C)c1ccccc1OCCNC(=O)C1CCCCC1 223784379 SNZRMTGAFZQUOJ-UHFFFAOYSA-N 289.419 3.885 0 40 CHAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H](C)C(C)C 225216361 PJWFVAAIJROPLV-ZIAGYGMSSA-N 277.408 3.738 0 40 CHAB Cc1ccc(Nc2ccc(N)cc2C(=O)NC(C)C)c(C)c1 225464553 FABPJFHLUDQFLF-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB CCCCO[C@@H](Cc1cccc(Cl)c1Cl)C(=O)O 225084409 XKGHHBYNXBRIBF-NSHDSACASA-N 291.174 3.806 0 40 CHAB CCCc1n[nH]c(SCc2ccc(C)cc2C)n1 95116156 HWTLNOYOVSWVCR-UHFFFAOYSA-N 261.394 3.666 0 40 CHAB CC(=O)OCCc1ccc(Oc2ccccc2)cc1 95729924 UIKYKWKVJQAQLK-UHFFFAOYSA-N 256.301 3.585 0 40 CHAB COc1ccc(C(=O)c2cc(C)c(C)cc2C)cc1F 95917385 RLEMHGQAGVZREL-UHFFFAOYSA-N 272.319 3.991 0 40 CHAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 28628402 ZUEJGAMOGANUBX-IUCAKERBSA-N 277.311 3.599 0 40 CHAB CSc1nnc(SC[C@H]2CC2(Cl)Cl)s1 40161885 MIQUKHXNPCUAHH-SCSAIBSYSA-N 287.262 3.546 0 40 CHAB C=Cc1cc(Br)cc(Br)c1 60121590 OITDEAXLQUVPQW-UHFFFAOYSA-N 261.944 3.855 0 40 CHAB in-vitro CCS[C@@H](C)C[C@@H]1CC(=O)c2c(CC)noc2C1 5470429 RNANQWURTQNRTD-VHSXEESVSA-N 267.394 3.514 0 40 CHAB N=C1NC(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S1 5665614 NHVBYNHFRVVWJY-GXDHUFHOSA-N 296.351 3.618 0 40 CHAB O=C(C1CCCC1)N1CCC(Cc2ccccc2)CC1 5682447 ZBCLJIOKAGJAPE-UHFFFAOYSA-N 271.404 3.658 0 40 CHAB Cc1cc(C)c2cc3c(nc2c1)OC(=O)N(CC1CC1)C3 12222972 RWRAUQAJYJUPBY-UHFFFAOYSA-N 282.343 3.576 0 40 CHAB O=C(CCSCc1ccccc1)N1CCCCCC1 13687921 DHTYWMGCQVWODH-UHFFFAOYSA-N 277.433 3.713 0 40 CHAB O=C(CCSCc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 13687959 YNBNIRZUMMKNMA-ARFHVFGLSA-N 289.444 3.615 0 40 CHAB Cc1cccc(NC(=O)Nc2ccc(C(=O)O)cc2C)c1 22149429 HXMCZTSCXVCELA-UHFFFAOYSA-N 284.315 3.646 0 40 CHAB Cc1ccc(C)c(NC(=S)NC2CCCCC2)c1 2779240 QECYAFNNKSXDOJ-UHFFFAOYSA-N 262.422 3.923 0 40 CHAB Cc1nnc([C@H](C)Oc2cccc(C(F)(F)F)c2)o1 96428791 PUDVQENYQFFISW-ZETCQYMHSA-N 272.226 3.537 0 40 CHAB C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 20569954 JCENVZGUYUCNGD-VIFPVBQESA-N 270.735 3.743 0 40 CHAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1 384997 MSWFUSXPDZBYKG-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1C 32753745 QKVQYUGTMHVNHA-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB Cc1ccc2c(c1)[nH]c1c(N3CCC[C@H](C)C3)ncnc12 545554 KNYMODYJDICWPD-LBPRGKRZSA-N 280.375 3.656 0 40 CHAB Oc1ccc(-c2csc(-c3ccccc3)n2)c(O)c1 351566 IQBVJLNTZBGDAM-UHFFFAOYSA-N 269.325 3.888 0 40 CHAB Cc1cccc2cc(CNc3ccc(F)cc3)c(=O)[nH]c12 421442 QFEQIRHZRJPHOM-UHFFFAOYSA-N 282.318 3.588 0 40 CHAB O=C(c1c2c(nc3ccccc13)CCCC2)N1CCCCC1 2029617 QVOXSBQCBQISDL-UHFFFAOYSA-N 294.398 3.740 0 40 CHAB c1ccc(COCCCOCc2ccccc2)cc1 2547804 YCUQCDFHCPHJQU-UHFFFAOYSA-N 256.345 3.810 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)c1ccccn1 3592047 SYGWIDLTQACWJX-UHFFFAOYSA-N 254.333 3.766 0 40 CHAB Cc1ccc(NC(=O)CCN2C[C@H](C)C[C@@H](C)C2)cc1C 4744727 PZFJVVRWNVRPQM-ZIAGYGMSSA-N 288.435 3.610 0 40 CHAB CCOC(=O)/C=C(C)\C=C\c1ccc2ccccc2n1 4854769 IMDFAIKEMOYJAW-SMEYHRCOSA-N 267.328 3.757 0 40 CHAB C[C@H](c1ccccc1)N1C(=O)CS[C@H]1c1ccc(O)cc1 5532844 FNWJXJUQGDYTCV-PXAZEXFGSA-N 299.395 3.727 0 40 CHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(C)c(C)c1 5555544 NTPHGOYRQVWJPU-UHFFFAOYSA-N 295.448 3.647 0 40 CHAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1Cl 6304187 MTQJFRNJQKUDMN-AWEZNQCLSA-N 288.734 3.631 0 40 CHAB C[C@H](CNC1CCCCC1)OC(=O)Nc1ccccc1 6491823 LQMYFVIMZYVTHD-CYBMUJFWSA-N 276.380 3.546 0 40 CHAB O=C(CSCc1cccc(F)c1)Nc1ccccc1 7145856 GRTJLGIVLKSUCQ-UHFFFAOYSA-N 275.348 3.698 0 40 CHAB Cc1ccc(N[C@@H](C)C(=O)N2CCc3ccccc32)cc1C 7222945 WFTVWZVUMKRMIJ-HNNXBMFYSA-N 294.398 3.693 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=S)Nc1ccccc1 10113684 VIHXDTVMTKSBQH-LBPRGKRZSA-N 268.385 3.835 0 40 CHAB N[C@@H](c1ccncc1)c1ccc(OCc2ccccc2)cc1 11832621 KQHSVUCAUIYKQD-LJQANCHMSA-N 290.366 3.709 0 40 CHAB O=C(NCCc1cc2ccccc2[nH]1)Nc1ccccc1 11990792 YPEMJJCMXHEROQ-UHFFFAOYSA-N 279.343 3.532 0 40 CHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)(C)C 14221634 BCRVUOFXNRJFSC-GFCCVEGCSA-N 291.416 3.553 0 40 CHAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1F 18114316 WYSOXUILDYILOX-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB Cc1cc(SCC(=O)c2ccccc2)nc(C(C)C)n1 20120564 ZVPLVFOOGKUUNP-UHFFFAOYSA-N 286.400 3.883 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(C)c1 20193780 OEDJPZYPDXYEGW-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB O=C(N1CCCc2ccccc21)C1(c2ccc(F)cc2)CC1 21695555 STIUOCJXYFEMRQ-UHFFFAOYSA-N 295.357 3.837 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1cc(F)ccc1F 22578099 SQLKPNZFVOKVFH-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB CCOC(=O)Nc1c(-c2cccs2)nc2ccccn12 26963129 AEIVETDGHMWTRN-UHFFFAOYSA-N 287.344 3.631 0 40 CHAB Cc1noc(C)c1Cn1c(C(F)(F)F)nc2ccccc21 28775416 UJPOAFHFCFXENX-UHFFFAOYSA-N 295.264 3.708 0 40 CHAB CCc1ccc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 28875089 IFTGPQGROJABMB-GJZGRUSLSA-N 296.414 3.927 0 40 CHAB C[C@H](NC(=O)c1cccs1)c1ccc(Cl)s1 32038999 XUISDDKTIRKMHR-ZETCQYMHSA-N 271.794 3.954 0 40 CHAB NC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 32879204 UAJYQAGPEVLTGG-ZDUSSCGKSA-N 296.153 3.599 0 40 CHAB C[C@@H](Oc1ccccc1)C(=O)N1CCSc2ccccc21 32997919 ILEQOPIJKUAEHG-CYBMUJFWSA-N 299.395 3.593 0 40 CHAB Cc1ccc(C)c(Sc2ccccc2N2CCNCC2)c1 34019147 OLSUXQFACZYSFC-UHFFFAOYSA-N 298.455 3.864 0 40 CHAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 36623478 RKZQJYWMEDYYKV-LSDHHAIUSA-N 297.398 3.894 0 40 CHAB Cc1ccc(CNc2ccc(-c3cnco3)cc2)o1 37775335 VOECTWSVECXSKL-UHFFFAOYSA-N 254.289 3.855 0 40 CHAB CCC[C@@H](C)C(=O)Nc1cc(Cl)c(OC)cc1OC 44569944 CIYFSPSQYYHKCV-SECBINFHSA-N 285.771 3.732 0 40 CHAB O=C(c1ccc(Br)cc1)c1ccc(Cl)nc1 45038724 FCMSFRRFJDYZFW-UHFFFAOYSA-N 296.551 3.729 0 40 CHAB FC(F)Oc1nc(C(F)(F)F)ccc1-c1cccnc1 47218517 OQTQDJTWXQUEHD-UHFFFAOYSA-N 290.191 3.764 0 40 CHAB CC(C)O[C@@H]1CCc2cc(Br)ccc21 47843790 AVUQWQCTLHMHME-GFCCVEGCSA-N 255.155 3.861 0 40 CHAB in-vitro Cc1cccc(C)c1NC(=O)NC[C@H]1CC=CCC1 49300028 NKOBFAGTSXDAJO-AWEZNQCLSA-N 258.365 3.781 0 40 CHAB CCCNC(=O)c1cc(Cl)c(OCCC)c(OCC)c1 49935202 SYHFITCJJKYVST-UHFFFAOYSA-N 299.798 3.667 0 40 CHAB Cc1ccc(F)cc1[C@@H](O)c1ccccc1Br 55203381 HKAPAZGGHWXOGV-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB CCCCOc1ccc(C(C)=O)cc1Br 61695769 VLWJZRNMKUNYIC-UHFFFAOYSA-N 271.154 3.831 0 40 CHAB c1ccc(-c2ccc3oc(C4CCNCC4)nc3c2)cc1 62557238 YQJKIBLFOBOZQW-UHFFFAOYSA-N 278.355 3.962 0 40 CHAB O[C@H](c1ccccc1)c1ccc(Nc2ccccc2)nc1 72225305 GLWHRTCXSXOBCT-GOSISDBHSA-N 276.339 3.907 0 40 CHAB CCN(CC)C(=O)c1ccc(-c2cccs2)nc1C 73325923 YHMLFOCFHAKINM-UHFFFAOYSA-N 274.389 3.601 0 40 CHAB CC(C)c1cccc2c(Br)c(C(=O)O)cnc12 85386462 QZVIZQHVNUISCY-UHFFFAOYSA-N 294.148 3.819 0 40 CHAB CN1C(=O)c2ccccc2N[C@H]1c1cnc(C2CCC2)s1 89374756 NXYBYINUZXUZOT-CQSZACIVSA-N 299.399 3.607 0 40 CHAB O=C(C1CC1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 89872990 FTLAWLMZQNVJCV-INIZCTEOSA-N 268.360 3.632 0 40 CHAB CC[C@H]1CC[C@H](C)N1c1ccc(Br)cn1 95458742 FVKRWELDIAYQFM-ONGXEEELSA-N 269.186 3.611 0 40 CHAB CC(C)CC[C@](C)(NCc1cccc(Cl)c1)C(=O)O 95948582 JUSATYGBRISKTN-HNNXBMFYSA-N 283.799 3.709 0 40 CHAB Cc1cccc(C(=O)CC(=O)c2cccc(C)c2)c1 100914590 IPRKTKNRGBZOMY-UHFFFAOYSA-N 252.313 3.759 0 40 CHAB O=C(Nc1ccccn1)C12CC3C[C@@H](CC[C@H](C3)C1)C2 101042948 AWOLXBUPSZYHME-GXZXJKLZSA-N 270.376 3.627 0 40 CHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1cccc2cccnc12 105883041 RQZIUTDNRCURFR-JKIFEVAISA-N 296.414 3.718 0 40 CHAB Cc1ccc(CC(=O)NCC2CCCCC2)cc1C 224240396 JANKWEBLEGBVSN-UHFFFAOYSA-N 259.393 3.542 0 40 CHAB COCc1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 224415194 YWXQZQYJDHJGAV-AWEZNQCLSA-N 299.370 3.547 0 40 CHAB CCOc1cccc(NC(=O)Cc2cccc(Cl)c2)c1 225182918 HDRPMECSHWTAFQ-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB Nc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 226314252 LXWVXUGJKGOFHH-RMKNXTFCSA-N 295.367 3.530 0 40 CHAB O[C@@H](c1c(Cl)cccc1Br)C(F)(F)F 306365083 DAKMQGVBBKLFOZ-ZETCQYMHSA-N 289.478 3.698 0 40 CHAB CC(C)(C)OC(=O)Nc1cnc2c(Cl)nccc2c1 1857789619 NLPBXIHXAXJZKP-UHFFFAOYSA-N 279.727 3.630 0 40 CHAB COC(=O)c1c(C)[nH]c2ccc(OCc3ccccc3)cc12 1857795725 ISYIFHKUOVGYJP-UHFFFAOYSA-N 295.338 3.842 0 40 CHAB CC(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 235501 KYSSZLFUHHADSF-UHFFFAOYSA-N 285.734 3.842 0 40 CHAB COc1ccccc1OC(=O)Cc1cccc2ccccc12 363963 SDNYDTGCHIPKIY-UHFFFAOYSA-N 292.334 3.997 0 40 CHAB CN(C(=O)c1ccoc1)c1ccc2ccccc2c1 384463 REYHBYFHXTUVES-UHFFFAOYSA-N 251.285 3.709 0 40 CHAB Cc1nc2ccccc2n1Cn1c(C)nc2ccccc21 392390 VLNMECJWHIZPIH-UHFFFAOYSA-N 276.343 3.509 0 40 CHAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cccs1 430966 LJXHBMXIMGIDTL-HUKVCQRGSA-N 281.336 3.758 0 40 CHAB CCOC(=O)CCCC(=O)c1ccccc1C(F)(F)F 2580319 LQKOJVYUCCNKRI-UHFFFAOYSA-N 288.265 3.622 0 40 CHAB CCNC(=O)N[C@H]1c2ccccc2CSc2ccccc21 4146440 UDTQLIFTMFDQAL-INIZCTEOSA-N 298.411 3.701 0 40 CHAB CCCN1C[C@H](C)[C@](OC(C)=O)(c2ccccc2)C[C@@H]1C 4188674 KOICPRXXJBUEBL-MPGHIAIKSA-N 289.419 3.585 0 40 CHAB NC(=O)Nc1ccc(/C=C2\C=Cc3ccccc32)cc1 4963672 IHCKIQWKCHGQNB-SDNWHVSQSA-N 262.312 3.745 0 40 CHAB CCN(C(=S)NCc1ccccc1)c1ccccc1C 5127437 OFVHKTZRVVLGHG-UHFFFAOYSA-N 284.428 3.896 0 40 CHAB CCOc1ccc(C(=O)N(C)c2ccccc2)cc1OCC 5466390 XLSMWBJOKTVEAH-UHFFFAOYSA-N 299.370 3.761 0 40 CHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCC(C)C 6270720 VTCCZECGLPKGHK-LBPRGKRZSA-N 283.799 3.578 0 40 CHAB CCN(C(=O)c1ccc2nccnc2c1)c1ccccc1C 6676567 ZGYKJRSPGRMEPA-UHFFFAOYSA-N 291.354 3.605 0 40 CHAB CCOC(=O)c1cccc(NC(=O)c2cc(C)ccc2C)c1 7922648 RORUFFHEWQODRY-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB CC[C@H](Sc1ccccc1NC(=O)CC(C)C)C(=O)O 8732855 VVYUVFJYKMAHSL-LBPRGKRZSA-N 295.404 3.627 0 40 CHAB CCC[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)C(=O)O 8732899 ARWICHUXJIMQGT-QWRGUYRKSA-N 295.404 3.627 0 40 CHAB C[C@H]1CCCCN1Cc1ccc(Br)cc1 9998196 OBBKUSZEBQMHCN-NSHDSACASA-N 268.198 3.824 0 40 CHAB CCOc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 11750022 VUKMEQPXIZFADP-UHFFFAOYSA-N 295.382 3.547 0 40 CHAB Cc1cc(C(=O)Nc2cccc(Br)c2)c(C)o1 13325726 PQAXIKCEPIQSQA-UHFFFAOYSA-N 294.148 3.911 0 40 CHAB CC(C)c1ccccc1NC(=O)Cn1cnc2ccccc21 14737567 DSNALUUFEGXVPW-UHFFFAOYSA-N 293.370 3.798 0 40 CHAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccccc2C)c1 18013892 HBTVLJFFEJORSP-INIZCTEOSA-N 297.398 3.868 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1n[nH]cc1Cl 28226334 RYQLSLVCZYTOPQ-UHFFFAOYSA-N 290.537 3.622 0 40 CHAB CC(C)(C)CC(=O)N[C@@H](c1ccccc1)c1ccccn1 29713192 WKONWCJUEUJFLS-KRWDZBQOSA-N 282.387 3.723 0 40 CHAB CCCCCCNC(=O)c1cccc2c1O[C@H](C)[C@H]2C 32903813 QTWLZBIBJKJXEK-CHWSQXEVSA-N 275.392 3.881 0 40 CHAB CCc1noc(-c2cccc(NC(=O)C3CCCCC3)c2)n1 33012810 GVPUYMXGPWJBGX-UHFFFAOYSA-N 299.374 3.818 0 40 CHAB CCCCOc1ccc(CNC(C)C)cc1OCC 34651997 JURMUYBGZMGKKC-UHFFFAOYSA-N 265.397 3.762 0 40 CHAB Nc1ccc(Cl)c(-c2nc(-c3cccs3)no2)c1 37641939 AJRGBLDCAFVIBT-UHFFFAOYSA-N 277.736 3.701 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1ccsc1 40534475 OHFYDCYMVGBKJI-OCCSQVGLSA-N 261.390 3.768 0 40 CHAB CCc1cc(N)cc(C)c1NC(=O)c1cccc(C)c1 45888433 UHRQIULFAHQSKS-UHFFFAOYSA-N 268.360 3.700 0 40 CHAB O=C(O)Cc1ccc(-c2nc3ccc(F)cc3s2)cc1 45923153 MORWOZBPNIZTEU-UHFFFAOYSA-N 287.315 3.730 0 40 CHAB COc1ccc(Nc2nc3ccccc3o2)cc1F 48562113 NIMYPVYRSXJUAB-UHFFFAOYSA-N 258.252 3.719 0 40 CHAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccco3)c2C)cc1 57529739 FWEKXDIDCVNTIJ-UHFFFAOYSA-N 295.342 3.643 0 40 CHAB COc1ccc(C(F)(F)F)cc1-c1ccc(O)c(C=O)c1 65342166 YSDXGQCHJWTQJQ-UHFFFAOYSA-N 296.244 3.899 0 40 CHAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCNC2)n1 72354408 SCVKCIITVLCSKA-SFHVURJKSA-N 280.415 3.756 0 40 CHAB Cc1ccc(-c2nc(COc3ccccn3)co2)cc1 73699983 MQHFANLYHQHMHL-UHFFFAOYSA-N 266.300 3.624 0 40 CHAB Fc1ncc(Br)cc1-c1ccccc1 90413348 WLEHFWRHEVIYNO-UHFFFAOYSA-N 252.086 3.650 0 40 CHAB Cc1cccc(CO)c1OCc1ccc(F)cc1Cl 95095188 SQNVYLUTOULBMI-UHFFFAOYSA-N 280.726 3.859 0 40 CHAB CCOC(=O)/C(C)=C/c1c(Cl)cccc1Cl 95829594 YUGSBHRZJHUFOR-BQYQJAHWSA-N 259.132 3.960 0 40 CHAB in-vitro O=C(Cc1ccc(Cl)cc1F)NCC1CCCCC1 225203695 BKPLWEZOTMGLDE-UHFFFAOYSA-N 283.774 3.718 0 40 CHAB CCCCc1ccc(C(=O)OC)n1Cc1ccc(F)cc1 226027081 LJYDQMJXJKOJLW-UHFFFAOYSA-N 289.350 3.805 0 40 CHAB COC(=O)c1cc(-c2cccc(-c3ccccc3)c2)on1 260788695 ZWQNUDGKSSXMAS-UHFFFAOYSA-N 279.295 3.795 0 40 CHAB CC[C@H](C)N1C(=O)S/C(=C/c2cccc(C)c2)C1=O 409010759 LAAIMSHPWJYBPR-GJSJWPQCSA-N 275.373 3.830 0 40 CHAB C[C@@H]1CCC[C@@H](OCc2nnc(-c3ccccc3)o2)C1 521393743 RJHNFFLVOQOQJV-TZMCWYRMSA-N 272.348 3.832 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)o1)[C@H]1CC=CCC1 575611391 UZKVGIDAVQLJTP-LBPRGKRZSA-N 271.316 3.512 0 40 CHAB Cc1cc(C=O)c(C)n1CCc1c[nH]c2ccccc12 9394 AVHBVLXBUKWXGC-UHFFFAOYSA-N 266.344 3.641 0 40 CHAB Cc1cc(C)cc(CSCC(=O)Nc2cccnc2)c1 281459 QMAPZQCEQVHNOD-UHFFFAOYSA-N 286.400 3.570 0 40 CHAB Cc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 370676 DVIJULUJRZGEQX-OAHLLOKOSA-N 267.372 3.746 0 40 CHAB CC(=O)c1cccc(OC(=O)Nc2ccccc2)c1 1591111 UWPJTEKVXJSGSS-UHFFFAOYSA-N 255.273 3.500 0 40 CHAB O=C(c1ccccc1)c1ccc(-c2ccccc2)c(=O)o1 1728145 WZZSWNVLVXGHDV-UHFFFAOYSA-N 276.291 3.538 0 40 CHAB CCOC(=O)c1sc(Nc2ccccc2C)nc1C 4245077 OXDYMCUBIHPMGB-UHFFFAOYSA-N 276.361 3.680 0 40 CHAB Cc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1 12619695 JDWPMGXZOANHGM-MRXNPFEDSA-N 283.396 3.959 0 40 CHAB O[C@H](c1c(F)cncc1Br)C1CCCCC1 62152103 GNFNLOGQSXGZQQ-LBPRGKRZSA-N 288.160 3.597 0 40 CHAB in-vitro CCC(CC)NC(=O)Cc1coc2cc(C)ccc12 12734605 UEZCMFYFHQLTJR-UHFFFAOYSA-N 259.349 3.589 0 40 CHAB C[C@H](c1ccc2ccccc2c1)N(C)C(=O)c1csnn1 56175782 DBECWBSNGNNGOM-LLVKDONJSA-N 297.383 3.525 0 40 CHAB Cc1ccc(C[S@](=O)Cc2ccccc2C)cc1 58168123 ACHVAXKHEDFMTO-GOSISDBHSA-N 258.386 3.752 0 40 CHAB CC(C)CNc1ncc(C(F)(F)F)cc1Cl 20008057 XAJJVOMNCQBPMJ-UHFFFAOYSA-N 252.667 3.822 0 40 CHAB C[C@@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1 25967420 QFTARLGTPVLGDH-SNVBAGLBSA-N 277.364 3.913 0 40 CHAB Fc1cccc(NCc2cc(F)c(F)c(F)c2)c1 62705638 SMJWCIJUYKXZHU-UHFFFAOYSA-N 255.214 3.855 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Br)c1 3613652 SPKGAGSONNJNFU-GWCFXTLKSA-N 296.208 3.758 0 40 CHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)o1 11565819 TXPPPNDPRQETER-JTQLQIEISA-N 292.718 3.670 0 40 CHAB Cc1ccc(C)c(CC(=O)N[C@H](C)c2ccccc2)c1 22520480 BIFVWLKPNFONDC-OAHLLOKOSA-N 267.372 3.723 0 40 CHAB COc1cc(C(=O)Nc2ccc(F)cc2C)ccc1C 14167987 JTPVBNZOMPZFAO-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB CCCCCC[C@H](C)NC(=O)c1ccc(N(C)C)cc1 4562320 KHRMCTVZJNXFTQ-AWEZNQCLSA-N 276.424 3.841 0 40 CHAB Cc1ccc2c(c1)CC(=O)N2Cc1ccc(Cl)cc1 96319266 MTDTVLFJARAHLK-UHFFFAOYSA-N 271.747 3.738 0 40 CHAB Cc1ccc2[nH]cc(C(=O)c3ccc(C)c(C)c3)c(=O)c2c1 67340933 KYWAHUWORIJZIB-UHFFFAOYSA-N 291.350 3.684 0 40 CHAB Cc1ccc(CCC2CCN(C(=O)NC3CC3)CC2)cc1 84148802 GLWSVSFDGOVFMP-UHFFFAOYSA-N 286.419 3.512 0 40 CHAB CC(C)c1ccc(CN(C(=O)[C@H]2C[C@H]2C)C2CC2)cc1 72753727 WUPIRIUYUUQDCQ-DYVFJYSZSA-N 271.404 3.957 0 40 CHAB Cc1cc([C@@H](C)NC(=O)N(C)Cc2ccoc2C)c(C)o1 95385670 GNOSEFNHJWDUSK-LLVKDONJSA-N 290.363 3.700 0 40 CHAB Cc1c[nH]cc1C(=O)Nc1ccc(N2CCCCC2)cc1 521402309 NORFELBLFXUBMC-UHFFFAOYSA-N 283.375 3.566 0 40 CHAB Cc1cc(C)c2cc(C(=O)OCc3c(C)noc3C)[nH]c2c1 32853978 HQFUITNHZJHHJQ-UHFFFAOYSA-N 298.342 3.747 0 40 CHAB Cc1cc([C@H](N)c2ccccc2)cnc1N1CCCCCC1 72222494 LYMFPDUYMRWGKA-GOSISDBHSA-N 295.430 3.819 0 40 CHAB Cc1ccc(-c2nc(CCNCc3ccco3)co2)cc1 78552477 RZKYVXYLXFSGFC-UHFFFAOYSA-N 282.343 3.575 0 40 CHAB CC(C)(C)c1cc(CCCN)cc(C(C)(C)C)c1O 39153205 LUWJFAGOLNUTBA-UHFFFAOYSA-N 263.425 3.879 0 40 CHAB COCc1ccccc1C(=O)Nc1ccc2[nH]ccc2c1 79043195 VDMVXPHEGJRWPD-UHFFFAOYSA-N 280.327 3.567 0 40 CHAB Cc1ccc(CN(C)C(=O)CSCc2ccccc2)cc1 44508622 GHUWMBAWVNBMFX-UHFFFAOYSA-N 299.439 3.887 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)NCC1CCCCC1 223411184 XQBSDDGOXJWEEV-ZDUSSCGKSA-N 277.433 3.864 0 40 CHAB CN(C(=O)Cc1ccc(F)cc1)[C@H]1CCc2ccccc21 40049950 PNJNVNABSXZDAF-KRWDZBQOSA-N 283.346 3.514 0 40 CHAB Cc1cccc(OCC(=O)N2CCSc3ccccc32)c1 41155146 YWJQMIOCCNPEBI-UHFFFAOYSA-N 299.395 3.513 0 40 CHAB CCOC(=O)c1cccc(OCc2ccc(C)cc2)c1 43503609 QOYRWFJXZQPACV-UHFFFAOYSA-N 270.328 3.751 0 40 CHAB Cc1c(O[C@@H]2CCCCO2)ccc(Br)c1F 84847351 FSUDJWLFFXKJCN-LLVKDONJSA-N 289.144 3.802 0 40 CHAB C[C@@H](NC(=O)Cc1ccccc1)c1ccc2c(c1)CCC2 223150761 RKBWPEIZNCIWMQ-CQSZACIVSA-N 279.383 3.595 0 40 CHAB Cc1cccc(CCC(=O)c2ccc3c(c2)OCO3)c1 228922611 GFBOMXHSIUKKRP-UHFFFAOYSA-N 268.312 3.539 0 40 CHAB O=C(O)[C@H]1CCCN(C(c2ccccc2)c2ccccc2)C1 140154649 DSGNBFPMVZOXDE-KRWDZBQOSA-N 295.382 3.573 0 40 CHAB Cc1nc2ccc(-c3cnc(N)s3)cc2n1C(C)(C)C 95629698 YNNNRPOHINNDLC-UHFFFAOYSA-N 286.404 3.805 0 40 CHAB Cc1ccc([C@H](C)NCc2ccnc(OCC3CC3)c2)o1 95422234 OHCTURDAEIULBM-ZDUSSCGKSA-N 286.375 3.623 0 40 CHAB COc1cccc2c(=O)c(C(C)C)c(C(C)C)[nH]c12 685938721 UDAMCSAFOJMWFT-UHFFFAOYSA-N 259.349 3.784 0 40 CHAB CCC(C)(C)CSc1nnc(N(C(C)=O)C2CC2)s1 95452325 TWEGHKMICPELJK-UHFFFAOYSA-N 299.465 3.582 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccccc1F 573351 BUKZFLNYMSYUFM-KPKJPENVSA-N 273.694 3.972 0 40 CHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 5862025 FKASCKMAGNBKCY-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB CCN(CC)CCOc1cc(C)cc2ccccc12 1614872 NITILWRQDYCYOL-UHFFFAOYSA-N 257.377 3.869 0 40 CHAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCO1 35208022 PYYQCBBQDMIHRR-OIBJUYFYSA-N 294.704 3.733 0 40 CHAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccnc1 36331 HXLWYXFNMBZDTM-KOLCDFICSA-N 285.174 3.611 0 40 CHAB CC(C)(CNC(=O)Cc1ccc(F)cc1)c1ccsc1 1565519440 RXVCKEXITGHJFB-UHFFFAOYSA-N 291.391 3.524 0 40 CHAB O=C(CCc1ccccc1)Nc1nc2c(s1)CCCC2 3141408 KVHVJXZAIAHZCH-UHFFFAOYSA-N 286.400 3.593 0 40 CHAB O=C(NCc1ccc(-c2ccco2)o1)c1ccsc1 575609531 XCHSPMAYDKNGAM-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB CC(C)OP(=O)(OC(C)C)[C@H](N)Cc1ccccc1 35078609 KDKSZCWXFQVNPD-AWEZNQCLSA-N 285.324 3.557 0 40 CHAB CC(C)c1ccc([C@@H](O)Cc2nc3ccccc3n2C)cc1 170115 GLYNSEYXIIEMFQ-SFHVURJKSA-N 294.398 3.973 0 40 CHAB Cc1ccc(C)c(COC(=O)c2cc(Cl)c[nH]2)c1 32777151 HCVPTLCLJHRGRJ-UHFFFAOYSA-N 263.724 3.642 0 40 CHAB Cc1ccc([C@H]2C3=C(O)C[C@@H](C)CC3=Nc3ncnn32)cc1 102602517 ONNDERDSODQIFB-ZBEGNZNMSA-N 294.358 3.504 0 40 CHAB CCc1ccc(CCC(=O)Nc2ccc(C(C)=O)cc2)o1 538850 LYPSJXFSEXNQFY-UHFFFAOYSA-N 285.343 3.616 0 40 CHAB O=C(O)c1cccc(NCc2ccc(Cl)cc2)c1 575150 IQFUDPRNOBVNAC-UHFFFAOYSA-N 261.708 3.650 0 40 CHAB CC1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 205356 WVLQKBOAWPOSCC-UHFFFAOYSA-N 279.380 3.812 0 40 CHAB CCCCO[P@@](=O)(c1ccccc1)N1CCCCC1 1737486 CUOKGTGMJHRYBY-IBGZPJMESA-N 281.336 3.808 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 2181307 ZIRSUMJKMNSBOU-UHFFFAOYSA-N 289.400 3.919 0 40 CHAB CCOP(=O)(Cc1ccc(C(=O)CC)o1)OCC 2295067 ZKIDIYAIQNHGFJ-UHFFFAOYSA-N 274.253 3.638 0 40 CHAB O=C1N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1(F)F 3182916 AEZVMCHXNAYUGS-ZDUSSCGKSA-N 277.245 3.549 0 40 CHAB Cc1nc2cc(NC(=O)COc3ccccc3)ccc2s1 3191688 CGINNISHRMPYHT-UHFFFAOYSA-N 298.367 3.622 0 40 CHAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)N1CCCC1 3199833 GMUJCCQHMRCMCI-CSKARUKUSA-N 285.318 3.721 0 40 CHAB Cc1cnc(NC(=O)CCCSc2ccccc2)s1 3334469 UYBXRDNDKNDSFG-UHFFFAOYSA-N 292.429 3.963 0 40 CHAB CCSc1nnc(-c2ccc(N(CC)CC)cc2)o1 3420189 PUCGRERYYJLDJP-UHFFFAOYSA-N 277.393 3.695 0 40 CHAB COc1ccc2c(c1)[C@@]1(C)CCC[C@@](C)(CO)[C@H]1CC2 3947545 HMPJUDGZKICNFY-FGTMMUONSA-N 274.404 3.698 0 40 CHAB Cc1[nH]c2ccc(Br)cc2c(=O)c1CC(C)C 3984918 QPFJVXXVDNZUDH-UHFFFAOYSA-N 294.192 3.798 0 40 CHAB biogenic O=C(Nc1ccccc1)c1cc2ccccc2c(=O)s1 4167947 PFMCYSBYEYKAEI-UHFFFAOYSA-N 281.336 3.514 0 40 CHAB Cc1ccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)cc1 4588628 AJEXDCAWOFPKMU-GDNBJRDFSA-N 297.741 3.993 0 40 CHAB Cc1[nH]nc2c1[C@@H](c1ccco1)CC(c1ccco1)=C2 4632246 MHYSOCCMALECIQ-GFCCVEGCSA-N 266.300 3.980 0 40 CHAB Cc1ccc(Nc2nc(Cl)ncc2F)cc1C 4741127 BNYIIKBLRHYKOV-UHFFFAOYSA-N 251.692 3.630 0 40 CHAB CCC[C@@H](CC)[C@@H](C(=O)OCC)C1=NC(C)(C)C[C@H](C)O1 5105508 DVDAUYKMYNRTGT-BFHYXJOUSA-N 297.439 3.978 0 40 CHAB C[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 6250022 FXEYREUKSBZEDG-CYBMUJFWSA-N 253.345 3.712 0 40 CHAB O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 6513374 DQNYDTMVSHGBHI-UHFFFAOYSA-N 275.436 3.899 0 40 CHAB CCCCn1c(SCC(C)=O)nc2ccccc21 6564537 HMSBDPQGIYHFQK-UHFFFAOYSA-N 262.378 3.518 0 40 CHAB CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC)cc1 7240335 AWPCQNBGISPLJI-CYBMUJFWSA-N 298.386 3.697 0 40 CHAB Cc1ccsc1CN(C)[C@H](C)C(=O)Nc1ccccc1 8310038 KLELBBTUYFZUOA-CYBMUJFWSA-N 288.416 3.516 0 40 CHAB Cc1cnc(NC(=O)c2ccc(C)c(-n3cccc3)c2)s1 8707338 BEYUQJGEMKTDET-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 8778483 PIPFBDBHSVCKBB-SMDDNHRTSA-N 291.354 3.824 0 40 CHAB COc1ccc(C)cc1NC(=O)CCc1cccs1 8987757 MOOIBPIRVRROET-UHFFFAOYSA-N 275.373 3.636 0 40 CHAB Cc1ccnc(NC(=O)c2ccc3ccccc3c2)c1 9338957 QIJNYFJBRHAQHK-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB CC(C)OCCCNC(=O)CCc1ccc(C(C)C)cc1 10371586 MKASVBRGDRGZID-UHFFFAOYSA-N 291.435 3.674 0 40 CHAB CC1CCN(Cc2ccc(Br)cc2)CC1 10495481 NGJYGCPOKZUZMU-UHFFFAOYSA-N 268.198 3.681 0 40 CHAB Cc1ccc(/C=C/C(=O)NCCOc2cccc(C)c2)cc1 21785506 KNYLCMCODKMPSN-ZHACJKMWSA-N 295.382 3.512 0 40 CHAB Cc1ccc(CN2CCN(c3ccc(C)cc3)CC2)cc1 23279881 GIPVEBUOOHPOIU-UHFFFAOYSA-N 280.415 3.626 0 40 CHAB FC(F)(F)c1ccc(-c2cccnc2)c(Cl)n1 47212661 SANNJCDTZVTSEJ-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB CCC[C@H](C)N(C)C(=O)c1cc2ccccc2c(OC)n1 48309331 QYXGUWDGQOHVDC-LBPRGKRZSA-N 286.375 3.504 0 40 CHAB CCc1cccc(C)c1NC(=O)N[C@@H](C)c1ccccn1 48324422 BCYCMEHUAPULTO-ZDUSSCGKSA-N 283.375 3.835 0 40 CHAB COC(=O)c1ccc(-c2ccc(Br)c(C)c2)o1 49896434 KSIYJEJOVDALSM-UHFFFAOYSA-N 295.132 3.804 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 57541850 NUFBFLBABAIKHH-ZOWVGILCSA-N 278.355 3.847 0 40 CHAB Cc1c(C(=O)Nc2ccc(F)cn2)sc2ccccc12 60368882 KQGXRSVENYHMSP-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB CC(C)c1nnc2sc(-c3ccc4ncccc4c3)nn12 61721365 RJWYICBKGNEIOF-UHFFFAOYSA-N 295.371 3.524 0 40 CHAB CC(C)n1cnnc1SC/C=C/c1ccccc1 65607712 GVSVMYCRZDDRBY-RMKNXTFCSA-N 259.378 3.665 0 40 CHAB CCCN1CCC[C@H]1c1cnc(N2CCCC2)cc1C 72218862 ZPQXPZZXYQWKDM-INIZCTEOSA-N 273.424 3.537 0 40 CHAB CN(C)C(=O)c1ccc(OCCCC2CCCC2)cc1 79075731 OXTNIHGCHWWBFO-UHFFFAOYSA-N 275.392 3.738 0 40 CHAB COCCn1c(-c2cccc(C)c2C)nc2ccccc21 89688773 PWSKRJPEJLXSKL-UHFFFAOYSA-N 280.371 3.967 0 40 CHAB CC(C)c1cnc(-c2ccc(NCc3nccn3C)cc2)o1 95429218 MOTQCEJXJVXNRX-UHFFFAOYSA-N 296.374 3.811 0 40 CHAB C[C@@H]1Cc2c(ccc3c(=O)cc(-c4ccccc4)oc23)O1 96306246 ZIGGIWVMPUXTCD-LLVKDONJSA-N 278.307 3.783 0 40 CHAB C/C(=C\C(=O)N1CCC[C@@H]1c1cc(C)on1)c1ccccc1 96400721 PIQIANOJMJYJOV-MLFXKNMZSA-N 296.370 3.750 0 40 CHAB CCc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 100759552 IHJPNIPCCNPMJQ-RTBURBONSA-N 299.414 3.973 0 40 CHAB COc1ccc(OC)c2c1[C@H]1[C@@H]3C4C5[C@@]6(CC=CC[C@@]516)[C@H]2[C@H]43 104289938 XMXRUOZBHCNPLA-NTWSKFIHSA-N 292.378 3.727 0 40 CHAB CC[C@@H](C)CC(=O)N1CCC(OCc2ccccc2)CC1 191479151 TWYLDTOQQAXHJT-OAHLLOKOSA-N 289.419 3.630 0 40 CHAB CCOC(=O)c1cc(-c2cc3ccccc3s2)on1 222274499 WZHJYFWHVBNECU-UHFFFAOYSA-N 273.313 3.733 0 40 CHAB COc1ccc(CCC(=O)Nc2ccccc2)cc1C 224226280 STXPPQBWWRWSOB-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB CCCOc1c(Br)ccc2cccnc12 225390141 JRVUTYUYJKBQNL-UHFFFAOYSA-N 266.138 3.786 0 40 CHAB Cc1ccc([C@@H](C)NC(=S)Nc2cc(C)ccn2)cc1 225470910 VSMKSFWUDHBQEZ-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB CCCCn1c(CCc2ccccc2)ccc1C(=O)O 226028614 DDDAZFQAOXETQT-UHFFFAOYSA-N 271.360 3.772 0 40 CHAB COc1ccc(Cl)cc1C(=O)C(Cl)(Cl)Cl 382708488 VSIJSOAMSGKWDT-UHFFFAOYSA-N 287.957 3.902 0 40 CHAB COC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccn1 390835709 VQPSDNCKPSVRIC-MRXNPFEDSA-N 290.794 3.555 0 40 CHAB CC(=O)c1ccc(OC(F)F)cc1C(F)(F)F 604221807 NYPUKHUNWYVOSH-UHFFFAOYSA-N 254.154 3.509 0 40 CHAB COc1cccc(-c2nc(=S)c3c(o2)CCCC3)c1 615012 PZVAKNPWAOKJAU-UHFFFAOYSA-N 273.357 3.958 0 40 CHAB Cc1nn2c(O)cc(C(C)C)nc2c1-c1cccs1 100163349 MLBLLGKBPPPXPO-UHFFFAOYSA-N 273.361 3.595 0 40 CHAB O=C(Nc1ccc(F)cc1F)c1cccc2ncccc12 25056879 SZQKEJXBZJKDMY-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 1460457 KWNRKRLIBIWIRX-UONOGXRCSA-N 295.448 3.763 0 40 CHAB Cn1c(-c2cccnc2Cl)nc2cc(Cl)ccc21 1405246 KIKQBVOVETVPKQ-UHFFFAOYSA-N 278.142 3.942 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccc(F)cc1F 2243642 TUEOAXMWXHFWIN-UHFFFAOYSA-N 284.302 3.661 0 40 CHAB CCCCN(C(=O)c1ccccc1)C(=O)c1ccccc1 28221814 XGXAYRXBNXGSEM-UHFFFAOYSA-N 281.355 3.769 0 40 CHAB Cc1ccccc1OCC(=O)NC(C)(C)CC(C)(C)C 60622243 NPPTXUBNRLTIPE-UHFFFAOYSA-N 277.408 3.705 0 40 CHAB C1=CC[C@H]2[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2C1 102805862 OUQFYCOJMMHQMV-JCGVRSQUSA-N 264.372 3.663 0 40 CHAB biogenic Cc1cc(C)cc(NC(=O)CSc2nc(C)cs2)c1 3413891 PFVHGUYYUMPTMQ-UHFFFAOYSA-N 292.429 3.799 0 40 CHAB Cc1cccc(C(=O)c2ccc(CN3CCC3)cc2)c1C 2514620 CEKSJZYTASTONP-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB Cc1cc(SCCCCCO)nc2ccccc12 60330953 GIKRYDYWPKCZGD-UHFFFAOYSA-N 261.390 3.798 0 40 CHAB CCc1ccc(CN(Cc2nnc(C(C)C)o2)C2CC2)cc1 60372812 NCPWPTKGCPVPHM-UHFFFAOYSA-N 299.418 3.920 0 40 CHAB Cc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)cc1F 3536983 DGKLTGOHLDWWQR-CYBMUJFWSA-N 298.361 3.524 0 40 CHAB Cc1nc(CN(C)CC23CC4CC(CC(C4)C2)C3)oc1C 60569405 XMJCJQGKRQDEPH-UHFFFAOYSA-N 288.435 3.940 0 40 CHAB CC[C@H](C)C(=O)Nc1nc2c(C)cc(C)cc2s1 12920080 ZFKYHDMAGKSVTP-VIFPVBQESA-N 262.378 3.898 0 40 CHAB O=C1CCC[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]12 4041283 RFCMYEBTZKSRRN-GUDVDZBRSA-N 293.366 3.917 0 40 CHAB CC[C@H](NC(=O)N[C@H](C)CC)c1cccc(Cl)c1 13746448 YMBFKFJZXJPYFP-MFKMUULPSA-N 268.788 3.889 0 40 CHAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3F)cc2c1C 14251531 WLHUZRPAWVKHAX-UHFFFAOYSA-N 296.345 3.854 0 40 CHAB CC1=C(C)[C@H](Nc2ccccc2)N(Cc2ccccc2)C1=O 4608123 KYLRLWZSGLNLQX-GOSISDBHSA-N 292.382 3.803 0 40 CHAB C[C@H](NC(=O)c1cccc2ccccc12)c1ccncc1 7184024 RCHCLLUPRRRIQW-ZDUSSCGKSA-N 276.339 3.726 0 40 CHAB CCP1(=O)OP(=O)(CC)OP(=O)(CC)O1 80443967 KGMOTOPNEPTZJH-UHFFFAOYSA-N 276.102 3.689 0 40 CHAB in-vitro COc1ccccc1[C@H](C)NC(=O)c1sccc1C 15967011 WHGMGFUFKRSMPS-NSHDSACASA-N 275.373 3.556 0 40 CHAB CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)c1nccs1 68450991 WKNPMHILCNEXLF-UHFFFAOYSA-N 291.763 3.554 0 40 CHAB Cc1cccc(CSCC(=O)Nc2nc(C)cs2)c1 7813660 FLQACVATXOIHBY-UHFFFAOYSA-N 292.429 3.632 0 40 CHAB O=Cc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1 409177889 CPWWKYTYBVMWDZ-UHFFFAOYSA-N 274.703 3.510 0 40 CHAB Cc1cc(NC(=O)C2(c3ccccc3)CC2)cnc1Cl 72313696 NJACLEPAZGFGPO-UHFFFAOYSA-N 286.762 3.714 0 40 CHAB Cc1csc(CCCN[C@H](C)Cc2ccsc2)n1 95421636 AASCVQQCAHGBDM-LLVKDONJSA-N 280.462 3.666 0 40 CHAB COc1ccc(C(=S)NCc2ccc(Cl)cc2)cc1 408578545 YNZGDZUSZBUDCH-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB Cc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)c(C)c1 33418339 ABEVRQNZADAZPT-UHFFFAOYSA-N 286.356 3.686 0 40 CHAB CCC[C@H]1C(=O)C[C@@H](c2ccco2)N[C@H]1c1ccco1 34798056 LFJPCHSRZIMWGY-MQIPJXDCSA-N 273.332 3.634 0 40 CHAB CN(c1ccccc1)c1ccc([C@H]2CCCCN2C=O)cn1 72214231 MDRRNFAIMCPPAO-QGZVFWFLSA-N 295.386 3.533 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)N1CCCC(C)(C)C1 30755359 FSTIGUDCJXRVIT-CQSZACIVSA-N 289.419 3.665 0 40 CHAB CCCN1CCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 72219161 IMVGAVSCQWYUAC-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB CCCN1CCC[C@H]1c1ccc(N[C@@H](C)CC)nc1 72213508 FIZLAPMVBYATNF-ZFWWWQNUSA-N 261.413 3.839 0 40 CHAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCN1C(C)C 72219220 HIDUAEMOURONMU-QGZVFWFLSA-N 287.451 3.926 0 40 CHAB COc1ccccc1NC(=S)Nc1cc(F)cc(F)c1 71760958 QARMRTDTNCFMLP-UHFFFAOYSA-N 294.326 3.782 0 40 CHAB CC[C@H](C)c1ccc(O[C@H]2CCNC2)c(Br)c1 42774616 RLHMZIYAIYDVCU-JQWIXIFHSA-N 298.224 3.703 0 40 CHAB CC(C)(C)c1ccc(-c2c(N)n[nH]c2C(F)(F)F)cc1 41440484 QHHQQDNTPSTSLN-UHFFFAOYSA-N 283.297 3.975 0 40 CHAB CNc1cc(C)c2oc(-c3cc(OC)cc(OC)c3)nc2c1 226272041 DZLCDMDMWUNCRA-UHFFFAOYSA-N 298.342 3.862 0 40 CHAB C[C@@H](CCc1ccccc1)NC[C@H](C)C(=O)OC(C)(C)C 47219110 PFAQPKYRXXXRNK-GJZGRUSLSA-N 291.435 3.575 0 40 CHAB Cc1cc(C)c(C(=O)N[C@@H](C)COc2ccccc2)cc1C 225652083 CCILZXIWNHUENV-INIZCTEOSA-N 297.398 3.809 0 40 CHAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1 225891930 VIMQLSSABHMZIQ-UHFFFAOYSA-N 293.370 3.949 0 40 CHAB COc1ccc(-c2ncc(-c3cccc(N)c3)o2)cc1 226102889 AURMUXBWCRHGIX-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB C[C@H]1CCCCN1c1c(Cl)cc(N)cc1Cl 45885818 YHEQHOVVYQRYQH-QMMMGPOBSA-N 259.180 3.954 0 40 CHAB CCc1ccc(CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 224609488 IAWOKRNEXJTBOZ-ZDUSSCGKSA-N 285.362 3.808 0 40 CHAB CC(C)Oc1ccc(NCc2cscn2)c(F)c1 95448764 NMFLCJHMPBLWHU-UHFFFAOYSA-N 266.341 3.682 0 40 CHAB CCCn1nc(C2CC2)cc1CNCc1ccc(F)s1 256053146 QFKTYFWTWYAEHJ-UHFFFAOYSA-N 293.411 3.661 0 40 CHAB C[C@@]1(c2ccccc2)COC(=O)N1c1ccccc1 44563725 SUDKKTYDGGNQIP-INIZCTEOSA-N 253.301 3.559 0 40 CHAB CCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 48805511 BBNHHAVSXVGPEZ-GFCCVEGCSA-N 270.376 3.804 0 40 CHAB C[C@@H](c1ccncc1)N(C)Cc1cccc2[nH]ccc12 97113705 IXWXYVOCHVMNBE-ZDUSSCGKSA-N 265.360 3.756 0 40 CHAB CC1(C)COC(CC(=O)c2ccc(C(C)(C)C)cc2)=N1 5044199 OOYNDFVFSOWISI-UHFFFAOYSA-N 273.376 3.764 0 40 CHAB CO[C@@H](CNC(=O)C1CC(C)(C)C1)c1ccc(Cl)cc1 513348311 RHTQMKPPXAYLFA-AWEZNQCLSA-N 295.810 3.580 0 40 CHAB CC(C)Sc1nnc(Nc2ccccc2F)s1 8852251 ILUGRZBEKPJCBQ-UHFFFAOYSA-N 269.370 3.921 0 40 CHAB COC(=O)c1cccc2c1N[C@@H]1C[C@H](C)CC[C@@H]1C2(C)C 121027 LEVRTGSAASAKJI-OSAQELSMSA-N 287.403 3.981 0 40 CHAB CC(=O)Oc1cc2sc(C)nc2c2sccc12 118204 HAGLXKAYBABTTM-UHFFFAOYSA-N 263.343 3.745 0 40 CHAB CCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 32795121 IUUOHPFRCBCEKR-ZJUUUORDSA-N 270.323 3.514 0 40 CHAB Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCCC[C@@H]2C)s1 21875499 KGWNITOXVOHCDR-WCQYABFASA-N 293.432 3.714 0 40 CHAB Cc1cc(N2CCC(C)CC2)nc(NCc2ccccc2)n1 524518 ZXDFNGUSZJCZPH-UHFFFAOYSA-N 296.418 3.633 0 40 CHAB CC[n+]1c(-c2ccc(Cl)cc2)csc1NC1CC1 164147 DAEAXKYFWYCOCS-UHFFFAOYSA-O 279.816 3.950 0 40 CHAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccc(F)cc2)C1 201777 XAWQABVNPUODMK-YOEHRIQHSA-N 275.367 3.867 0 40 CHAB CCN(C(=O)C1CC1)c1nc(-c2ccc(F)cc2)cs1 932824 YKJPMJBPOODETE-UHFFFAOYSA-N 290.363 3.712 0 40 CHAB CCc1c(Nc2ccc(C)c(C)c2)nc(N)[nH]c1=S 1682049 KPDGGORPKYGSTF-UHFFFAOYSA-N 274.393 3.644 0 40 CHAB c1ccc(-c2nc3ccccc3cc2N2CCOCC2)cc1 1843014 BYMZQNBGIRVBFD-UHFFFAOYSA-N 290.366 3.738 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1ccc2c(c1)OCO2 2057673 XPPXRPNRDAMCJO-LLVKDONJSA-N 263.337 3.570 0 40 CHAB Cc1cncc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 79783952 NVGNXSFUYPSKOU-SFHVURJKSA-N 292.382 3.682 0 40 CHAB O=C1c2ccccc2C(=O)c2ccc3c4c(ccc1c24)CC3 1019540 WDESSQVVWRMLNA-UHFFFAOYSA-N 284.314 3.714 0 40 CHAB COc1cccc(Cn2cnc3cc(C)c(C)cc32)c1 12550120 CFHDNJUOACZZDR-UHFFFAOYSA-N 266.344 3.710 0 40 CHAB CCOc1ccc2ccccc2c1CNCC(C)C 8325073 FTXVSVSEKZWIOY-UHFFFAOYSA-N 257.377 3.984 0 40 CHAB CN(C(=O)CSCc1cccc(Cl)c1)C1CCCC1 53332779 MLZYCHASQFSTCY-UHFFFAOYSA-N 297.851 3.974 0 40 CHAB COc1cc2c(cc1OC)[C@@H](CCc1ccccc1)NCC2 2011313 ZSTCPHVBMNDKEB-QGZVFWFLSA-N 297.398 3.523 0 40 CHAB CC(=O)OC[C@]12CC[C@@](CCC=C(C)C)(C[C@H]1C)OC2 101570851 AXJOCLMFQAZKPU-PVAVHDDUSA-N 280.408 3.871 0 40 CHAB Cc1csc(NC(=O)CSc2ccc(Cl)cc2)n1 10671207 TUWJIUNJTNUSQQ-UHFFFAOYSA-N 298.820 3.836 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccnc(Cl)c1 59189735 IODXVSLRIRMETH-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB C[C@@]1(C(=O)Nc2ccc(Cl)cc2)C[C@H]2C=C[C@H]1C2 103588729 ONYINCTZMGRKTF-ZIBATOQPSA-N 261.752 3.881 0 40 CHAB O=C(O)Cc1c(-c2cccs2)[nH]c2ccccc12 4207445 XIOJJFZMRZMUDZ-UHFFFAOYSA-N 257.314 3.524 0 40 CHAB Cc1cc(C(=O)CCC(=O)Nc2ccccc2)c(C)s1 6402629 OHBRXFCAJYLEBB-UHFFFAOYSA-N 287.384 3.967 0 40 CHAB CCCCC[C@H](C)NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O 4651530 ZKMOMRBJRDQHJW-ZNMIVQPWSA-N 295.423 3.519 0 40 CHAB O=C1N[C@@H](c2cccc(C(F)(F)F)c2)Nc2ccccc21 5689806 XWBIBLUMCMPAGG-ZDUSSCGKSA-N 292.260 3.560 0 40 CHAB C[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN12 4853927 ZYFARORWTRCJDY-LRDDRELGSA-N 264.328 3.576 0 40 CHAB CC(=O)c1nc2cc(Cl)ccc2n1CC(C)C 64874413 YEWVBALBEAIPKU-UHFFFAOYSA-N 250.729 3.548 0 40 CHAB CCn1ccnc1CNc1cccc(Cl)c1NC(C)C 97227724 ILKSPIAURANLMO-UHFFFAOYSA-N 292.814 3.989 0 40 CHAB C[C@H](Nc1cccc(-c2nc[nH]n2)c1)c1ccc(F)cc1 95991620 CVBYJKVUJLKPEA-NSHDSACASA-N 282.322 3.784 0 40 CHAB COc1cccc(-c2noc([C@H]3C[C@H]3c3ccco3)n2)c1 89471394 BIFNTVXQFVRFNG-OLZOCXBDSA-N 282.299 3.609 0 40 CHAB CC[C@@](C)(NCc1ncc(C(C)C)o1)c1nc(C)cs1 89942119 MBOZNEPIAZNUNW-OAHLLOKOSA-N 293.436 3.978 0 40 CHAB CCOC(=O)[C@]1(c2ccsc2)C=C1c1ccccc1 26897552 VUGQIOQTWQOMBC-INIZCTEOSA-N 270.353 3.646 0 40 CHAB CCn1ccc(NC(=O)Nc2ccc(C(C)C)cc2)n1 27929909 MEPGNIHMVHJGCK-UHFFFAOYSA-N 272.352 3.670 0 40 CHAB CC(C)(C)NCc1ccc(Br)cc1Cl 37927222 XFAUHEOVDFIIIL-UHFFFAOYSA-N 276.605 3.991 0 40 CHAB Fc1ccc(CNC(=S)c2cccc(Cl)c2)cc1 408572335 GGYKNYPKCKFOSG-UHFFFAOYSA-N 279.767 3.944 0 40 CHAB Cc1ccc(CNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 30864443 DFUBWXCJCKHMPC-INIZCTEOSA-N 297.398 3.696 0 40 CHAB COc1cccc2cc(C(=O)Nc3cccc(F)c3)oc12 73900958 DUAKLOMNRWISOM-UHFFFAOYSA-N 285.274 3.833 0 40 CHAB Cc1cncc([C@H]2CCCN2Cc2ccccc2)c1 72211333 WGQOXVXOBQPHQV-QGZVFWFLSA-N 252.361 3.727 0 40 CHAB Cc1ccc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1C 224050970 BDOPXSCOYPXFEC-GVDBMIGSSA-N 271.404 3.541 0 40 CHAB COC(=O)[C@@H](C)N1c2cc(Cl)ccc2[C@@H](C)CC1(C)C 223830052 DRDKTBPPDHCOIQ-WDEREUQCSA-N 295.810 3.994 0 40 CHAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1 225600853 AMCDFFNUYLCBFK-INIZCTEOSA-N 279.380 3.619 0 40 CHAB COc1ccccc1C(=O)c1cccc(SC)c1 95917224 XXWIBOZUXGSPLQ-UHFFFAOYSA-N 258.342 3.648 0 40 CHAB Cc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2C)cc1 386170113 DAZSLPMMPVWOMI-UHFFFAOYSA-N 292.338 3.854 0 40 CHAB CCCCCNC(=O)N[C@H](C)c1ccc(SC)cc1 31103477 RAULXGZJWKPQHR-GFCCVEGCSA-N 280.437 3.959 0 40 CHAB Clc1cnc(N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)nc1 1776009646 VFIANQHAOJWTBT-KBPBESRZSA-N 275.783 3.598 0 40 CHAB COCCn1c(-c2cc(C)c(O)c(C)c2)nc2ccccc21 48880394 ULNPOJBYTYZFDU-UHFFFAOYSA-N 296.370 3.672 0 40 CHAB CC[Si](CC)(CC)c1cnc(N(C)C)cc1Cl 196297057 XXSLKEYKUDENTG-UHFFFAOYSA-N 270.880 3.517 0 40 CHAB O=C1Nc2ccccc2S/C1=C\c1ccccc1 71385 DOQUSBFMNDTPGT-UVTDQMKNSA-N 253.326 3.772 0 40 CHAB CCCCC(=O)N1CCC(Cc2ccccc2)CC1 5457893 DESNKNGQMYKEDY-UHFFFAOYSA-N 259.393 3.658 0 40 CHAB Cc1ccc(C)c(/C=C2/N=C(c3ccc(F)cc3)OC2=O)c1 445747 KLUKIANXQXNTBG-MHWRWJLKSA-N 295.313 3.787 0 40 CHAB BrC1=NO[C@H]2c3cccc4cccc(c34)[C@H]12 5767902 MELXZMFYUDZEJV-RYUDHWBXSA-N 274.117 3.717 0 40 CHAB Nc1ccc(Oc2ccc(Cl)cc2Cl)cn1 19869115 HKGLDMWQGVTZEY-UHFFFAOYSA-N 255.104 3.763 0 40 CHAB O=C(Nc1ccccc1)OC/C=C\c1ccccc1 5328966 DXODDGVNDLOMLO-YFHOEESVSA-N 253.301 3.949 0 40 CHAB C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@@H]2O 4026403 PUQSDJZESAQGQS-BDXSIMOUSA-N 272.388 3.553 0 40 CHAB biogenic,in-vitro CN(Cc1ccsc1)C(=O)c1cc2ccccc2[nH]1 12949905 CSEVRSCTODRKPV-UHFFFAOYSA-N 270.357 3.502 0 40 CHAB O=C(c1cc(OC(F)(F)F)ccc1Cl)C(F)F 575243003 RSNYYVPHYVZACU-UHFFFAOYSA-N 274.572 3.686 0 40 CHAB O=C(c1ccccc1F)N1CCCc2ccc(F)cc21 40117126 JBOSCQCESWCDMM-UHFFFAOYSA-N 273.282 3.558 0 40 CHAB COc1ccc2cc(CNCc3cccnc3)ccc2c1 20140579 KGNQETSHBRWYGO-UHFFFAOYSA-N 278.355 3.533 0 40 CHAB CC(C)c1cccc(NC(=O)c2cccnc2N(C)C)c1 31699001 SUKARINPBOWXJG-UHFFFAOYSA-N 283.375 3.523 0 40 CHAB Cc1cc(C)nc(SCCC(=O)c2ccc(F)cc2)n1 51607799 ZCGFHSIVKOORFC-UHFFFAOYSA-N 290.363 3.598 0 40 CHAB CN(Cc1ccsc1)C(=O)N[C@H]1CCc2ccccc21 32802494 RWPUADLEIYABJP-HNNXBMFYSA-N 286.400 3.577 0 40 CHAB O=C(O)c1ccc(COc2ccc(Cl)cc2Cl)o1 133422 VSMPMYSNFPYXIY-UHFFFAOYSA-N 287.098 3.864 0 40 CHAB Cc1nc(N2CCCCC2)c2c3c(sc2n1)CCCC3 126491 QNUDUWPRRNLQJU-UHFFFAOYSA-N 287.432 3.869 0 40 CHAB COc1ccc(-c2nc3ccccc3s2)c(OC)c1 804917 MZBJTAFSXBMGKB-UHFFFAOYSA-N 271.341 3.981 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)CCc1ccc2[nH]ccc2c1 95986517 MCCHURLTSLNFRF-CZUORRHYSA-N 284.403 3.795 0 40 CHAB O=Cc1ccc2nc(C(Cl)(Cl)Cl)ccc2c1 1572047 WVDLPAHHYKECCM-UHFFFAOYSA-N 274.534 3.874 0 40 CHAB O=C(CCc1ccc(F)cc1)Nc1cccc(F)c1 7127747 BPPYOGWTPNCCOE-UHFFFAOYSA-N 261.271 3.536 0 40 CHAB O=Cc1nc2ccc(Cl)cc2n1Cc1ccccc1 53944122 CAOSMRYOPSSRFN-UHFFFAOYSA-N 270.719 3.551 0 40 CHAB CSc1nc(Cl)cc(N(C)c2ccccc2)n1 1402778 LCRNLHPOPGUZPR-UHFFFAOYSA-N 265.769 3.620 0 40 CHAB CCCn1ccc(C(=O)Nc2ccc(C(C)C)cc2)n1 28242652 VITDXDTYACDZHP-UHFFFAOYSA-N 271.364 3.669 0 40 CHAB CC1CCC(N(C)C(=O)c2ccc3ncsc3c2)CC1 12764826 FDKFHRYUJFUECW-UHFFFAOYSA-N 288.416 3.947 0 40 CHAB CCCCN(C)C(=O)Nc1ccc(NC(=O)OCC)cc1 44950284 AWTKQNZYFNYYOF-UHFFFAOYSA-N 293.367 3.519 0 40 CHAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccs1 20139471 HBDAYNNMOASRGG-UHFFFAOYSA-N 299.351 3.753 0 40 CHAB CCOC(=O)CCCCC(=O)c1ccc(OC(C)C)cc1 2580396 JJLHRUXVNHYAGY-UHFFFAOYSA-N 292.375 3.780 0 40 CHAB COc1ccccc1NC(=O)CCc1ccc(Cl)cc1 10403939 SGRDZLSFIRARST-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB CCOc1ccc(CC(=O)Nc2ccc(F)cc2C)cc1 13326621 TXDGHKSOSVCPCT-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB C[C@H](c1cccc(Cl)c1)[S@](=O)CC1CCOCC1 95439198 DLZSBZWJRXQXOD-ZMZPIMSZSA-N 286.824 3.576 0 40 CHAB Cc1ccc(Cl)cc1-n1nc(C)c2ccccc2c1=O 4548051 MPBCTCHGVRDYHN-UHFFFAOYSA-N 284.746 3.656 0 40 CHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CCc1cscn1)C2 95410472 BLVUQHQWCYBEMT-NORZTCDRSA-N 293.432 3.834 0 40 CHAB c1ccc(OCCOc2ccc(NCC3CC3)cc2)cc1 19738243 DVJDKZAKXJLXAP-UHFFFAOYSA-N 283.371 3.966 0 40 CHAB Cc1ccc2onc(CC(=O)Nc3cccc(C)c3C)c2c1 4667852 UDINOCMBHALQST-UHFFFAOYSA-N 294.354 3.934 0 40 CHAB C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 4674601 ULXVRCZTNAIDOX-GJZGRUSLSA-N 295.382 3.603 0 40 CHAB COc1ccc2c(c1)[nH]c(=S)n2Cc1ccccc1 5529827 TWBSELPGKTZOLI-UHFFFAOYSA-N 270.357 3.756 0 40 CHAB Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCCC[C@H]1C 6790471 WCNBEXAGHDBVEF-RISCZKNCSA-N 295.810 3.722 0 40 CHAB Cc1ccc(CSc2nnc(-c3cccnc3)o2)cc1 4954340 FUNHXXNTXVFZHS-UHFFFAOYSA-N 283.356 3.732 0 40 CHAB COc1ccccc1CSc1nnc(-c2ccco2)o1 7564805 UUOMWYBHQRUUJV-UHFFFAOYSA-N 288.328 3.631 0 40 CHAB CCc1oc2ccccc2c1/C=C/C(=O)NCc1ccco1 7752719 GHTLAWWNXCDTHT-MDZDMXLPSA-N 295.338 3.918 0 40 CHAB O=C(NC1CCCCCC1)c1cccc(-n2cccc2)c1 8156922 HWBTYNGITURBGM-UHFFFAOYSA-N 282.387 3.930 0 40 CHAB O=c1ccc2ccc(OCc3nc4ccccc4o3)cc2o1 8222382 IFSWQFOHSWTSFQ-UHFFFAOYSA-N 293.278 3.513 0 40 CHAB O=C(Nc1nccs1)[C@@H]1C[C@H]1c1ccccc1Cl 9953193 UYIIIKBKGKWAPX-VHSXEESVSA-N 278.764 3.539 0 40 CHAB Cc1nc(S[C@@H](C)C(=O)c2cc(F)ccc2F)oc1C 69620557 ZRRMXDLCBXNUEG-VIFPVBQESA-N 297.326 3.933 0 40 CHAB COc1ccc(-c2c[nH]nc2-c2ccc(OC)cc2)cc1 8567433 LPWXLVNCHJUDST-UHFFFAOYSA-N 280.327 3.761 0 40 CHAB Cc1ccc(-c2[nH]ncc2C(=O)NCC2CCCCC2)cc1 72328957 KDZWXUXJMJQYKI-UHFFFAOYSA-N 297.402 3.695 0 40 CHAB COc1ccc(-c2nc(C)ncc2C)c2ccc(C)nc12 67783750 YBVHDRIPWBKPIA-UHFFFAOYSA-N 279.343 3.626 0 40 CHAB Nc1ccccc1-c1nnc(-c2ccccc2Cl)o1 30823947 HISVCTQVXXJITH-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB Cc1cc(C)cc(CC(=O)N(C)c2ccc(C)cc2F)c1 1528974940 UAZPXGSOBNEOBO-UHFFFAOYSA-N 285.362 3.956 0 40 CHAB S=C(NCc1ccco1)c1cccc2ccccc12 408575513 VKHYAUOMSVBSHW-UHFFFAOYSA-N 267.353 3.898 0 40 CHAB Clc1ccc(CN2CCC(c3ccccc3)=N2)cc1 35325757 XAYMRXOGXPHWHP-UHFFFAOYSA-N 270.763 3.950 0 40 CHAB CC(C)C[C@H]1SCC(O)=Nc2c1cnn2C(C)C 79481766 VNGCDHWREZEFKO-LLVKDONJSA-N 267.398 3.886 0 40 CHAB CCc1cc(N)cc2nc(-c3ccccc3C)oc12 73641642 JHXZCTMBZSQKGS-UHFFFAOYSA-N 252.317 3.948 0 40 CHAB NC(=O)CCc1ccc(-c2ccc(Cl)cc2Cl)o1 216924534 ARTSQDYEXSIIRM-UHFFFAOYSA-N 284.142 3.671 0 40 CHAB O=C(O)c1ccc(-c2cnc(-c3ccc(O)cc3)s2)cc1 72233663 DVOVZXZESNOCDB-UHFFFAOYSA-N 297.335 3.881 0 40 CHAB CC[C@H](C)Oc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 225167915 JLUASHWRFHLWRX-ZQIUZPCESA-N 277.408 3.694 0 40 CHAB C[C@H]1COc2ccc3cc(Br)ccc3c2C1=O 85399414 GFGHGDFGWNVGCG-QMMMGPOBSA-N 291.144 3.814 0 40 CHAB CC1=CC(C)(C)N([C@@H](C)C(=O)O)c2ccc(Cl)cc21 223190554 PKICVMXDZBPTMF-JTQLQIEISA-N 279.767 3.815 0 40 CHAB Cc1ccc(-c2cc(C(F)(F)F)nc(S)n2)cc1 41391295 RKJAIBDULLLKQZ-UHFFFAOYSA-N 270.279 3.760 0 40 CHAB O=C(NCc1ccc(F)cc1F)Nc1cccc(Cl)c1 44845719 LQRAXOZTWDKRKY-UHFFFAOYSA-N 296.704 3.940 0 40 CHAB Fc1ccc(CNc2ncnc3ccccc23)cc1F 49577917 HLDOYYKOSGULIB-UHFFFAOYSA-N 271.270 3.520 0 40 CHAB COc1ccc(CC(=O)c2ccc(F)c(Cl)c2)cc1 95916185 XJDHPNRUYLJFHZ-UHFFFAOYSA-N 278.710 3.913 0 40 CHAB C[C@H](Cl)C(=O)c1ccc(F)cc1C(F)(F)F 390237367 LRKFOUMHKYSWKR-YFKPBYRVSA-N 254.610 3.655 0 40 CHAB OCc1cc(C2CC2)nc2cc(C(F)(F)F)ccc12 685937368 NZJVVRZXNRYLPH-UHFFFAOYSA-N 267.250 3.623 0 40 CHAB CN(CCCc1ccccc1)C(=O)CCc1cccs1 60440241 IPNWAOPAWXXKPS-UHFFFAOYSA-N 287.428 3.772 0 40 CHAB Fc1cc([C@@H]2CCCCN2)ccc1OC(F)(F)F 575183642 SKIXLXALYGHERN-JTQLQIEISA-N 263.234 3.539 0 40 CHAB Clc1cc(Br)c2nc(Cl)[nH]c2c1 200890741 NOBATVWXGQUXSJ-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB CCOP(=O)(CNc1ccc(Cl)cc1N)OCC 2243878 PNZDVMGMHFOHOJ-UHFFFAOYSA-N 292.703 3.558 0 40 CHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccncc1 1512146 UNTBVCDGVLHSPN-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@H](O)C3)CC[C@H]12 15222688 JWCUOJUQSHVMBS-SDNTUTLCSA-N 278.392 3.519 0 40 CHAB O=C(O)c1cc(-c2ccccc2)nc2c(F)cccc12 2536640 NZTZDQKINLDWQK-UHFFFAOYSA-N 267.259 3.739 0 40 CHAB CN(C(=O)c1ccc(-c2cccc(N)c2)o1)c1ccccc1 226303993 RUHTUJUOMSYZSU-UHFFFAOYSA-N 292.338 3.805 0 40 CHAB C[C@@H](Nc1nnc(C(C)(C)C)s1)c1cccc(O)c1 153409516 NROYRLPIHPAKPJ-SECBINFHSA-N 277.393 3.714 0 40 CHAB CCc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1 28539971 MVYHZRWHLFTAHR-UHFFFAOYSA-N 287.388 3.807 0 40 CHAB Cc1ccc(C(=O)Nc2nnc(-c3cccc(C)c3)o2)cc1 11613309 YOBKLRRYUJQCTI-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB C[C@H]1CCCCCCCc2cc(O)cc(O)c2C(=O)O1 34319583 NFEVFCAOVZCHBN-NSHDSACASA-N 278.348 3.540 0 40 CHAB biogenic CN(C(=O)/C=C/c1cscn1)c1cccc2ccccc12 50341491 WPRKZKRTPOQMBV-MDZDMXLPSA-N 294.379 3.973 0 40 CHAB CCN(Cc1ccc(Cl)s1)C(=O)C1CCC1 40460951 XVUSBYWYDYHFGR-UHFFFAOYSA-N 257.786 3.550 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1 102181168 IKUBFGZYUXDDRM-WBTNSWJXSA-N 271.404 3.858 0 40 CHAB Cc1nc(C(C)C)sc1C(=O)NCCc1cccs1 32924162 PAROZVDNMGREFB-UHFFFAOYSA-N 294.445 3.609 0 40 CHAB O=C(CSC1CCCCC1)Nc1ccc(Cl)cn1 42368451 MHBAGRINULCAEJ-UHFFFAOYSA-N 284.812 3.739 0 40 CHAB CCS[C@H]1CCCCN(Cc2cnc(Cl)s2)C1 78689029 LKKSKCAGRKXUME-JTQLQIEISA-N 290.885 3.904 0 40 CHAB CC(=O)c1cn(C(=O)OC(C)(C)C)c2ccccc12 34327632 JPHRXDCUOPQYKE-UHFFFAOYSA-N 259.305 3.627 0 40 CHAB O=C(O)[C@@H]1/C=C\c2ccc(cc2)CCc2ccc(cc2)C1 4788246 GKYBFAQZOMLALH-YUIUBULTSA-N 278.351 3.742 0 40 CHAB CC(=O)c1ccccc1NC(=S)Nc1ccccc1F 6238670 WUDOQPLNYVADDY-UHFFFAOYSA-N 288.347 3.837 0 40 CHAB CC[C@H](O)C(CCN(C)C)(c1ccccc1)c1ccccc1 6411671 WKQWJEXZFBJISX-IBGZPJMESA-N 297.442 3.695 0 40 CHAB CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1C(=O)O 6963933 ZAPVUQMEINIECK-WOJGMQOQSA-N 299.326 3.543 0 40 CHAB CCc1ccc(Nc2nccc(C(F)(F)F)n2)cc1 24993471 BDGMBKUJWJDPHU-UHFFFAOYSA-N 267.254 3.801 0 40 CHAB CCCOc1cccc(C(=O)Nc2ccc(C)c(N)c2)c1 57340418 CBNANXRIVNAERJ-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Cc1ccc(C)c(OCCCn2nnc3ccccc32)c1 35143476 AZJKOXCLHORUHV-UHFFFAOYSA-N 281.359 3.517 0 40 CHAB COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1OC(F)F 12749137 XYAWZHLHJLTYPD-SNVBAGLBSA-N 297.301 3.591 0 40 CHAB Cc1ccc(C(=O)[C@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100858611 CBJIKKHQXWOTES-DEYYWGMASA-N 270.372 3.819 0 40 CHAB Cc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100979692 PEFGLBUQBGPATL-MGPQQGTHSA-N 258.365 3.553 0 40 CHAB CC(=O)Nc1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1 44729303 SOZKPOXLTUBTOK-LBPRGKRZSA-N 286.375 3.706 0 40 CHAB COCc1cccc(C(=O)Nc2cccc3cccnc23)c1 12851018 NQLUUIYVIDHNDB-UHFFFAOYSA-N 292.338 3.634 0 40 CHAB COc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)n1 45028742 OVKNIURJUQNPQV-UHFFFAOYSA-N 269.344 3.619 0 40 CHAB CC(C)(C)c1nnc(CSC2CCCCC2)o1 95949625 AAYPUSMNJBYRSD-UHFFFAOYSA-N 254.399 3.933 0 40 CHAB Cc1ccc(C(=O)c2cccc(CN3CCC3)c2)cc1C 2515125 INEZATBOKSMSEI-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB O=C(CCC1CCCC1)Nc1cccc(-c2nnco2)c1 24743845 NPGMBANIAYQRIX-UHFFFAOYSA-N 285.347 3.646 0 40 CHAB O=C(O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 37374890 DVDAIOQKIUPXRT-ZDUSSCGKSA-N 280.295 3.883 0 40 CHAB in-vitro Cc1ccccc1C[n+]1cc(-c2ccccc2)n2c1CCC2 13777932 LNQAKZHBIHEFBK-UHFFFAOYSA-N 289.402 3.746 0 40 CHAB CSc1ccc(CN2CCn3cccc3[C@H]2C)cc1 65529952 KBJDNSROGWWJBC-CYBMUJFWSA-N 272.417 3.787 0 40 CHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](C)C1 65591546 XXQWTMSXVMQLIY-MNOVXSKESA-N 277.393 3.591 0 40 CHAB O=C(O)c1ccc(-c2ccccc2OC(F)(F)F)o1 4658787 PSLFQKRPFOCZHR-UHFFFAOYSA-N 272.178 3.543 0 40 CHAB in-vivo Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)c(C)c1C 5555542 DTWDJIMPHMDXDP-UHFFFAOYSA-N 295.448 3.565 0 40 CHAB CCN1c2cc(OC)c(C=O)cc2[C@@H](C)CC1(C)C 113799654 RNPSQMXDPGWMJL-NSHDSACASA-N 261.365 3.620 0 40 CHAB Cc1cc(C[S@@](=O)Cc2ccc(C(C)C)cc2)on1 71858826 RUEBYRTZBJFSQX-LJQANCHMSA-N 277.389 3.555 0 40 CHAB COc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1F 69873638 ZKHSTGOFJVAAMU-INIZCTEOSA-N 285.362 3.824 0 40 CHAB CC[C@@](C)(NCc1ccc(COC)o1)c1ccccc1 89942115 FFACNFSECRTZDK-QGZVFWFLSA-N 273.376 3.841 0 40 CHAB COc1ccc(-c2csc(-c3ccncc3)n2)cc1OC 23623223 CDMFNKQSSCLQMY-UHFFFAOYSA-N 298.367 3.889 0 40 CHAB Cc1ccc(C(=O)NCCCOC2CCCCC2)c(C)c1 71805084 UDXSALZGDCZTDH-UHFFFAOYSA-N 289.419 3.773 0 40 CHAB CCOc1ncccc1-c1nnc(-c2cccc(C)c2)o1 216602983 IGXSEORJFKXRDW-UHFFFAOYSA-N 281.315 3.506 0 40 CHAB CC[C@@H](C)OCc1nn(CC(C)C)cc1Br 408716237 KGZXEBFGYVGGMA-SNVBAGLBSA-N 289.217 3.617 0 40 CHAB CC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2F)C[C@H]1O 507809395 XNZMUGNVZYUCDN-AUUYWEPGSA-N 299.389 3.695 0 40 CHAB Nc1cc(C(=O)O)ccc1Nc1cccc(C(F)(F)F)c1 37930300 UUPUDIMZILVGLN-UHFFFAOYSA-N 296.248 3.729 0 40 CHAB O=C(Nc1ccccc1)n1nccc1-c1ccccc1 408723202 PNPSKHWDRVOHOK-UHFFFAOYSA-N 263.300 3.630 0 40 CHAB CC(C)(C)c1ccc(-c2nc(CO)c3ccccn23)cc1 36644035 BNUZLJCLYDNXJL-UHFFFAOYSA-N 280.371 3.791 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)N(C)C1CCCCC1 38755286 LAPDNHZESAWWJP-CQSZACIVSA-N 275.392 3.553 0 40 CHAB Cc1cc(C(=O)N[C@@H](c2cccs2)C2CCCC2)on1 32397216 HQCIPSLNBUJJCD-CQSZACIVSA-N 290.388 3.706 0 40 CHAB CCCN(CCC)c1ccc([C@H](O)c2ccccc2)cn1 72225281 NMGIJTPFQNBQNK-GOSISDBHSA-N 284.403 3.790 0 40 CHAB CCc1ncc(-c2nc(-c3cccc4[nH]ccc34)no2)s1 545567877 MTRAHRJAYVRXLZ-UHFFFAOYSA-N 296.355 3.904 0 40 CHAB CCCN1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213959 MUZGPACWTJGUJA-MRXNPFEDSA-N 273.424 3.983 0 40 CHAB Cc1cc(N2CCCCCC2)ncc1[C@H](N)c1ccccc1 72223534 BOTWKVCGEBSPQX-LJQANCHMSA-N 295.430 3.819 0 40 CHAB CCOc1cccc(NC(=O)Cc2ccc(CC)cc2)c1 223093057 SOQPWOKEIRUYKX-UHFFFAOYSA-N 283.371 3.829 0 40 CHAB CCOc1ccc(C(=O)CC2(CC(=O)O)CCCC2)cc1 40224360 QZBDRGVCKYSGCY-UHFFFAOYSA-N 290.359 3.693 0 40 CHAB CCCOC(C)(C)C(=O)Nc1ccc(OCC)c(C)c1 225727825 JDUNZHYDRRZGAZ-UHFFFAOYSA-N 279.380 3.537 0 40 CHAB CCc1noc(-c2ccc(NC(=O)c3ccccc3)cc2)n1 46018793 QUZNXKGGXOWPPX-UHFFFAOYSA-N 293.326 3.551 0 40 CHAB COc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1C 222962618 RNBAWQRNWFEIOI-UHFFFAOYSA-N 283.371 3.897 0 40 CHAB Cc1ccc(CNc2cc(-c3ccco3)n[nH]2)cc1 95472046 HAXOICFKFYPZOZ-UHFFFAOYSA-N 253.305 3.590 0 40 CHAB COc1ccc(C(=O)c2cc(F)cc(Cl)c2)cc1OC 95916199 KPFOXZTYQAUYLO-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB O=C(/C=C\c1ccc(Cl)cc1)Nc1ccccc1 96482321 SKAAIEVEVCBTTH-FLIBITNWSA-N 257.720 3.992 0 40 CHAB Cc1ccsc1CN1CCCC[C@H]1c1ccncn1 257253035 JXIOJOIJGYNWRD-AWEZNQCLSA-N 273.405 3.574 0 40 CHAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(Cl)c1 254790952 GYHDHQRBABUUEI-SDDRHHMPSA-N 278.783 3.898 0 40 CHAB CSc1ccc2nc(C(F)(F)F)c(C)c(O)c2c1 685938133 KLIKTIZFIQKKIG-UHFFFAOYSA-N 273.279 3.990 0 40 CHAB FC(F)(F)c1ccccc1-c1c[nH]c([C@H]2CCCN2)n1 36874060 DIVWFDGFBNTRRP-LLVKDONJSA-N 281.281 3.520 0 40 CHAB in-vitro CC[C@@H](NCc1cccc(OC)c1)c1nc2ccccc2[nH]1 76020713 ZVXYXDUURNFWKV-OAHLLOKOSA-N 295.386 3.812 0 40 CHAB CNCc1ccccc1Sc1cccc(OC)c1 5353661 OIWKOIAIXYFZHR-UHFFFAOYSA-N 259.374 3.566 0 40 CHAB COc1cccc(C(=O)N2c3ccc(F)cc3CC[C@H]2C)c1 5528176 DWHLOLBDLYBRSQ-GFCCVEGCSA-N 299.345 3.816 0 40 CHAB CCCc1c(C)nc2ncnn2c1Nc1ccc(F)cc1C 13365041 JJOXEWGUAAADNY-UHFFFAOYSA-N 299.353 3.576 0 40 CHAB CC[C@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 13820866 SPAHWOQROXSSJZ-QMMMGPOBSA-N 276.327 3.790 0 40 CHAB Cc1ccccc1NC(=O)CCc1ccc(F)cc1 18114104 TYNNFEKEBLYMEA-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB COc1ccc(C(=O)NCc2cccc3ccccc23)cc1 19074483 FHILOOHPERSULW-UHFFFAOYSA-N 291.350 3.778 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1cccc(Cl)c1 5560110 BNRVDRRNZNBFGG-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB Cc1ccc(NC(=O)NCCSCc2ccco2)cc1 9762656 CRKUMXMWZWJGFO-UHFFFAOYSA-N 290.388 3.643 0 40 CHAB O=C(Nc1ccccc1)NC1C2CC3CC(C2)CC1C3 3293523 VFIXCTQCYWSGNW-UHFFFAOYSA-N 270.376 3.633 0 40 CHAB Cc1ccc(O)c(C(=O)N[C@@H](C)c2ccccc2C)c1 12767452 BSMWXTAWYRVTJZ-ZDUSSCGKSA-N 269.344 3.500 0 40 CHAB CCCCCC(=O)N1CCC(c2ccc(O)cc2)CC1 37498252 YOXOKCJFDGIKKU-UHFFFAOYSA-N 275.392 3.679 0 40 CHAB O=C(O)Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 170003 BMZCMTIGPMYJKO-UHFFFAOYSA-N 299.757 3.970 0 40 CHAB in-vitro CCOc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 32478556 WITPGQVNDHCFAZ-UHFFFAOYSA-N 280.327 3.819 0 40 CHAB O=C(Nc1ccc(F)cc1F)[C@@H]1C[C@H]1c1ccccc1 473432 CCHOTFCJTOHMGZ-QWHCGFSZSA-N 273.282 3.707 0 40 CHAB O=C(Nc1ccc2c3c(cccc13)C(=O)N2)c1ccccc1 127465 GEAQUZMJAADWTK-UHFFFAOYSA-N 288.306 3.658 0 40 CHAB CC(=O)c1ccc(NC(=O)COc2c(C)cccc2C)cc1 361912 OSJGIIIZINTQCT-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB Cc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 364983 PLYAJGPOKOBMCN-QGZVFWFLSA-N 265.356 3.802 0 40 CHAB Cc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 370674 DVIJULUJRZGEQX-HNNXBMFYSA-N 267.372 3.746 0 40 CHAB CCc1ccc(C(=O)CC[C@H]2CCCCC2=O)cc1 521744 MIUJHQDOKLUNNU-CQSZACIVSA-N 258.361 3.971 0 40 CHAB CN1c2ccc(C=O)cc2Sc2cc(C=O)ccc21 1615994 FCHUFBLISOGXHO-UHFFFAOYSA-N 269.325 3.544 0 40 CHAB O[C@H](c1ccccc1)c1ccccc1[C@H](O)c1ccccc1 1672201 LLYOFPFZFTWUGU-WOJBJXKFSA-N 290.362 3.850 0 40 CHAB ClC(Cl)(Cl)c1ccc(C2OCCO2)cc1 1718183 UJVASMROIOLBIO-UHFFFAOYSA-N 267.539 3.559 0 40 CHAB O=C(O)Cc1ccc2nc(-c3ccccc3)sc2c1 2008345 DGIRRQAONAAJCV-UHFFFAOYSA-N 269.325 3.590 0 40 CHAB CCn1nc(C)c2c(C(F)F)cc(C(F)F)nc21 2732175 ZLNNSTMKGGKIPM-UHFFFAOYSA-N 261.222 3.635 0 40 CHAB Cc1ccc(NC(=O)c2c(Cl)nc3sccn23)cc1 3230615 DVRGASRYWDNYBY-UHFFFAOYSA-N 291.763 3.610 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1ccccc1 3237513 QBMMWYHVBZEFSZ-BETUJISGSA-N 263.406 3.568 0 40 CHAB c1csc(-c2csc(N3CCCCC3)n2)c1 3254279 XEHKQIVCXFWVNN-UHFFFAOYSA-N 250.392 3.862 0 40 CHAB C[C@H](NC(=O)C1CCC1)C12CC3CC(CC(C3)C1)C2 5444004 ZCOGAFNKOIJXAS-GVMDUPDNSA-N 261.409 3.508 0 40 CHAB CC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1 5476871 LCZSTHIODUZSKX-XHSDSOJGSA-N 257.377 3.581 0 40 CHAB C[C@@H](c1ccccc1)N1C(=O)CS[C@H]1c1ccc(O)cc1 5515689 FNWJXJUQGDYTCV-SJCJKPOMSA-N 299.395 3.727 0 40 CHAB Cc1ccc(S/C=C2\NC(=O)c3ccccc32)cc1 5546135 BGMYHXXJEBGJJC-GDNBJRDFSA-N 267.353 3.829 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccccc2F)C1 6468414 GAVSWDDGJAXVSY-GHMZBOCLSA-N 266.385 3.500 0 40 CHAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCC1 6657470 XDBMNEWKZBLCCN-UHFFFAOYSA-N 291.354 3.969 0 40 CHAB COc1ccc(C2=Nc3ccccc3NCC2)cc1 6733610 DZBSMRWHLYTOMW-UHFFFAOYSA-N 252.317 3.632 0 40 CHAB CCCCNc1nc(C)c(C(=O)Nc2ccccc2)s1 7844052 WZORINNFESOMFX-UHFFFAOYSA-N 289.404 3.916 0 40 CHAB Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 8701894 LVRLWMIKICRPFE-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB COc1ccc2cc(CNC(=O)c3ccc(C)o3)ccc2c1 9879049 BTZLPYWCSPXYCX-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB CCOC(=O)/C=C/c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 12869628 UWGNVHMWKKKIOE-SAAWKEMMSA-N 299.370 3.558 0 40 CHAB C[C@H](N(C)C(=O)CCc1c[nH]c2ccccc12)C(C)(C)C 12945798 DGLPBMXEKJBUOI-ZDUSSCGKSA-N 286.419 3.994 0 40 CHAB Sc1nc2cc3c(cc2cc1Cc1ccccc1)OCO3 13534211 OQMCIGHHBGFWNV-UHFFFAOYSA-N 295.363 3.843 0 40 CHAB CC(C)(C)c1ccc(OCCOC(=O)c2cccnc2)cc1 16694880 GGBNYLFZJGGMDE-UHFFFAOYSA-N 299.370 3.615 0 40 CHAB Cc1cc(C(=O)O)ccc1-c1cccc(Br)n1 16696616 NMSVGDOJIZPXLH-UHFFFAOYSA-N 292.132 3.518 0 40 CHAB O=C(COc1ccc2c(c1)CCC2)NCCC1=CCCCC1 17334810 LWURBIWVXSHAII-UHFFFAOYSA-N 299.414 3.561 0 40 CHAB c1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2NCc2cccnc2)cc1 19373731 GWXPQEXEPYMTMU-NCXUSEDFSA-N 278.399 3.754 0 40 CHAB N[C@H](Cc1ccccc1)c1nc2ccccc2s1 19429617 PNSYMFALJUIRBH-GFCCVEGCSA-N 254.358 3.539 0 40 CHAB Cc1cc(C)cc(COC(=O)C2=Cc3ccccc3OC2)c1 19612917 QDASLMHPBRAVDS-UHFFFAOYSA-N 294.350 3.823 0 40 CHAB Cc1noc(C)c1CN1CCCc2cc(Cl)ccc21 26340052 IVGXAFDKHJZPLM-UHFFFAOYSA-N 276.767 3.898 0 40 CHAB COCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 29144043 DOVJJQTZBFFOTD-UHFFFAOYSA-N 275.735 3.739 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc(-c3cccnc3)on2)c1 33250596 SQMOJGMASYHBLF-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB Cc1nc(-c2cccc(NC(=O)c3cccnc3)c2)oc1C 33415078 UYRBBNNEVPTHRT-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB O=C(CCC(=O)c1cccs1)c1ccsc1 35572234 GCVVPHQQAQJAPR-UHFFFAOYSA-N 250.344 3.655 0 40 CHAB Cc1ccccc1[C@@H](C)NC(=O)NC1CCCCC1 43467038 FNXYMEBNCMMQSB-CYBMUJFWSA-N 260.381 3.688 0 40 CHAB COc1c(CO)cc(C(C)(C)C)cc1C(C)(C)C 44198588 HEHZZUOEBWRTME-UHFFFAOYSA-N 250.382 3.783 0 40 CHAB C[C@@H]1COC(=O)N(c2ccc(-c3ccc(C=O)cc3)cc2)C1 44563537 JWYOJJDBRPLRJW-ZDUSSCGKSA-N 295.338 3.759 0 40 CHAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1ccsc1 49545426 FVXARYTYPRCNMD-SNVBAGLBSA-N 275.377 3.823 0 40 CHAB O=C(c1nc(-c2cccs2)n2ccccc12)C(F)(F)F 71651084 XYXBYVZEZAEPOA-UHFFFAOYSA-N 296.273 3.808 0 40 CHAB CC(C)(C)OC(=O)Nc1cccc(F)c1Br 75926100 HLSMRTSASZMMJZ-UHFFFAOYSA-N 290.132 3.935 0 40 CHAB C(=C/c1nc(SCc2ccccn2)n[nH]1)\c1ccccc1 84517629 UERFMAWWXWWNGK-MDZDMXLPSA-N 294.383 3.662 0 40 CHAB Cc1nc(C(=O)N2C[C@@H](C)Sc3ccccc32)cs1 88223101 ZOPNRRJAYYUWEQ-SECBINFHSA-N 290.413 3.593 0 40 CHAB C[C@H]1CCc2c(-c3ccccc3)[nH]c(=S)c(C(N)=O)c2C1 95117573 GCGGCIFLKAAPAT-JTQLQIEISA-N 298.411 3.635 0 40 CHAB C[C@@H](OC(=O)C[C@@H](C)C1CC1)c1nc2ccccc2[nH]1 95392633 YERIVVDVYXTFMF-GHMZBOCLSA-N 272.348 3.603 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101067954 RJKCLOQTRSQISA-JURCDPSOSA-N 287.428 3.796 0 40 CHAB Cc1cnccc1NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 120508633 QTGRWTKZRXHEST-DOMZBBRYSA-N 299.374 3.988 0 40 CHAB Cc1cccc(C(=O)C(Cl)(Cl)Cl)c1C 212727945 IPPLQDYAKGDSGB-UHFFFAOYSA-N 251.540 3.856 0 40 CHAB CC[C@H](C(=O)OC)N1c2ccccc2C(C)=CC1(C)C 223198671 FFYHLQVODZVTPY-CQSZACIVSA-N 273.376 3.640 0 40 CHAB CC(C)C(NC(=S)Nc1ccccc1F)C(C)C 225326513 SYWJMJWGGOFXSV-UHFFFAOYSA-N 268.401 3.793 0 40 CHAB CCOC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225648228 ITECBGZAGCFZCZ-CYBMUJFWSA-N 293.407 3.926 0 40 CHAB Cc1cc(F)cc(-c2nn3c(c2Br)CCC3)c1 247884992 SRGKFRFQZLPUFD-UHFFFAOYSA-N 295.155 3.706 0 40 CHAB Cc1cc(NCc2ccc(F)s2)nn1CC(C)C 256052621 OBRZXZAJAIOGIK-UHFFFAOYSA-N 267.373 3.660 0 40 CHAB CC(C)(C)OC(=O)Cc1ccc(Cl)nc1C(F)F 575629425 WQLYQVPAIUBLSC-UHFFFAOYSA-N 277.698 3.557 0 40 CHAB FCc1ccc(C(F)(F)F)c(Br)c1 1504206500 OZXFNTPYKDGPTD-UHFFFAOYSA-N 257.024 3.937 0 40 CHAB Oc1cccnc1Nc1ncc(C(F)(F)F)cc1Cl 1888888452 GZJLUXNOQPTOBM-UHFFFAOYSA-N 289.644 3.598 0 40 CHAB CC(=O)Oc1cc2c(C(C)=O)coc2c(Cl)c1Cl 127755 SQEHYEDGLACEFP-UHFFFAOYSA-N 287.098 3.868 0 40 CHAB O=C1c2ccccc2CC[C@@]12O[C@H]2c1ccc(Cl)cc1 163825 PNULDHLWNWEBIT-DLBZAZTESA-N 284.742 3.979 0 40 CHAB O=C(/C=C/c1ccco1)Nc1ccc(OC(F)(F)F)cc1 359356 RUMDKWBJRWKDRM-BQYQJAHWSA-N 297.232 3.830 0 40 CHAB O=C(N/C=C/c1ccco1)OCc1cccc(Cl)c1 1382471 AQKNTZJQLSBCAR-VOTSOKGWSA-N 277.707 3.830 0 40 CHAB Cc1cc(C)c(C(=O)c2cccc(C)c2C(=O)O)c(C)c1 1600775 HJLHQJJASRPVGT-UHFFFAOYSA-N 282.339 3.849 0 40 CHAB CSc1ccccc1C(=O)c1ccc(CN2CCC2)cc1 2514612 HHIUWCNHVYPKOW-UHFFFAOYSA-N 297.423 3.845 0 40 CHAB CC(C)=CCc1c2occc2c(O)c2ccc(=O)oc12 2563652 JLCROWZWGSUEMR-UHFFFAOYSA-N 270.284 3.754 0 40 CHAB biogenic,in-vitro O=C(NCc1ccccc1Cl)c1ccc2ccccc2n1 2634539 APJGSRSTFAGFDY-UHFFFAOYSA-N 296.757 3.818 0 40 CHAB O=C(Nc1ccc(SC(F)F)cc1)c1ccncc1 3607268 UUDVTXVOQGQETM-UHFFFAOYSA-N 280.299 3.649 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CC[C@@H]1C3=NN[C@H]1c1ccco1 3905315 LPRZUORTNAVOLN-BLLLJJGKSA-N 291.354 3.680 0 40 CHAB CC(C)(C)C(=O)Nc1nc2c(s1)Cc1ccccc1-2 4088242 LPJROJQIDYLDCN-UHFFFAOYSA-N 272.373 3.699 0 40 CHAB COc1nc2c(C)cccc2cc1-c1noc(C(C)C)n1 4383820 LKPFATQZBSFFBX-UHFFFAOYSA-N 283.331 3.725 0 40 CHAB O=C1N[C@H](c2ccc(Cl)c(Cl)c2)Oc2ccccc21 4997933 UWVVHYWLGGUWPL-AWEZNQCLSA-N 294.137 3.814 0 40 CHAB Cc1noc(C)c1CCC(=O)Nc1ccc(Cl)cc1F 6879495 YJYOTTFNZVHZCA-UHFFFAOYSA-N 296.729 3.655 0 40 CHAB Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCCc2ccccc21 7278138 VKAILBVQGIWECN-OAHLLOKOSA-N 298.386 3.914 0 40 CHAB Cc1ccc(NC(=S)N[C@@H](C)c2ccncc2)cc1C 7531450 LMEWIKIGESAIMO-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB CCc1cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc2s1 7989911 HEBOYQBOOFLOGI-GHMZBOCLSA-N 275.421 3.736 0 40 CHAB Cc1cc(COC(=O)c2cc3cc(Cl)ccc3o2)on1 8355848 VADLJZYALLCWAM-UHFFFAOYSA-N 291.690 3.740 0 40 CHAB C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2N)C1 8702534 IOGJSNXLAMOEPF-VIFPVBQESA-N 258.287 3.524 0 40 CHAB O=C1C[C@H](c2cc(F)cc(F)c2)c2sccc2N1 12360689 OPYWVUYXTSHEIX-SNVBAGLBSA-N 265.284 3.500 0 40 CHAB O=C1OC=C[C@@H](c2ccccc2)Cc2ccccc21 13407466 LPQMUKNRTNHKEO-CQSZACIVSA-N 250.297 3.697 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc(F)cc1 13671594 QRSIWXHLDLTFIL-RUNBWSAHSA-N 281.330 3.817 0 40 CHAB S=C(NC1CC1)N(Cc1cccs1)C1CCCC1 13691536 PCVUDTZAQHTKBN-UHFFFAOYSA-N 280.462 3.530 0 40 CHAB CCOc1ccc([C@@H](CC)NC(=O)N[C@H](C)CC)cc1 13746436 XXQGFNGBKJGQNM-IUODEOHRSA-N 278.396 3.634 0 40 CHAB CCC(C)(C)NC(=S)Nc1cccc(Cl)c1 13823515 ALFIXERSCMHEAI-UHFFFAOYSA-N 256.802 3.815 0 40 CHAB CCc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1 15540494 GHPDPYBCZIQKIN-UHFFFAOYSA-N 280.327 3.951 0 40 CHAB CC(/C=C1\N=C(c2ccccc2)NC1=O)=C\c1ccccc1 16136533 VAIQXHGTUZHXLT-PZAFVPBJSA-N 288.350 3.550 0 40 CHAB Cc1cs/c(=N\C(=O)c2ccccc2)n1-c1ccccc1 16711336 JILFXUPUVMLVRV-ZCXUNETKSA-N 294.379 3.588 0 40 CHAB Cc1cc(Cl)ccc1O[C@@H](C(=O)O)c1ccccc1 19669930 YNXFAEHDDVUDKC-CQSZACIVSA-N 276.719 3.853 0 40 CHAB CC(C)CCOc1cccc(C(=O)Nc2cccc(N)c2)c1 19736040 NDOASCMGMWXBCU-UHFFFAOYSA-N 298.386 3.946 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)NCCc2ccccc2)cc1 20368356 COEXTJGSEOSAMX-OAHLLOKOSA-N 299.439 3.835 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1 20462748 FALOQEFVQCVKGH-UHFFFAOYSA-N 277.726 3.751 0 40 CHAB C[C@@H](NC(=O)NC1CC1)c1ccc(Cl)cc1Cl 20536019 QNNAIKJCBBCASG-SSDOTTSWSA-N 273.163 3.516 0 40 CHAB CC[C@@H](Nc1ccccc1)c1nc(-c2ccccn2)no1 20919148 XLDGADJZKKFJIQ-CYBMUJFWSA-N 280.331 3.695 0 40 CHAB O=C(CCc1ccccc1O)Nc1cccc2c1CCCC2 22879993 AXTAFHCHJPVFMU-UHFFFAOYSA-N 295.382 3.842 0 40 CHAB O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccco1 27662952 LSKVNLHOKRSXFR-UHFFFAOYSA-N 288.690 3.840 0 40 CHAB O=C(Nc1cccc2cccnc12)N1CCCCCC1 28295915 NLLPYJDIZKWCDH-UHFFFAOYSA-N 269.348 3.643 0 40 CHAB CCCCNCc1ccc(OCCCC)c(OC)c1 32114204 DFGBZQOMSMPIJH-UHFFFAOYSA-N 265.397 3.764 0 40 CHAB Cc1ccc([C@H](C)NCc2ccc(-n3ccnc3)cc2)o1 34993693 WQMBISOSEBWQNM-AWEZNQCLSA-N 281.359 3.625 0 40 CHAB CC(C)c1cccc(NC(=O)c2cccc(C(=O)O)c2)c1 35347737 FZSHIVHPJBAUJQ-UHFFFAOYSA-N 283.327 3.761 0 40 CHAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1cccc(F)c1 37124161 ZMOWIGFHUUMPGU-LLVKDONJSA-N 284.334 3.884 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)CSc2ccccc2)cc1 38752336 DZDZPBYIDNZRCX-CQSZACIVSA-N 285.412 3.965 0 40 CHAB O=C(c1cnc2ccccc2c1)c1cccc(F)c1F 45028960 ZEINMPSRVWTHPS-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB Clc1cncc(NCCNc2cccc3ccccc23)n1 65608060 FSYGLZDREHEEHK-UHFFFAOYSA-N 298.777 3.807 0 40 CHAB CC[C@H](C)Nc1ccc([C@H]2CCCN2C(C)C)cn1 72213506 OBRGPSBTKPREKR-DZGCQCFKSA-N 261.413 3.837 0 40 CHAB CCCN1CCCC[C@@H]1c1ccc(Cl)nc1C 72217918 LHNPETNSBCQQIC-CYBMUJFWSA-N 252.789 3.980 0 40 CHAB Cc1cc([C@H](C)O)cnc1SCc1ccccc1 72222410 ZKEZPFJUYNXBCW-LBPRGKRZSA-N 259.374 3.736 0 40 CHAB C[C@H]1C[C@H](c2ccsc2)CN1C(=O)CCc1ccco1 75145806 LIILRSNQPZLPQT-JSGCOSHPSA-N 289.400 3.678 0 40 CHAB O=C(CC1CCSCC1)OCc1ccc(Cl)s1 79110814 PYPABIMAWMSVMK-UHFFFAOYSA-N 290.837 3.978 0 40 CHAB COc1cccc([C@@H](C)SC2=NCCS2)c1 83595033 ILNFSHNTKNYFOH-SECBINFHSA-N 253.392 3.592 0 40 CHAB CCN(C)C(=O)c1cccc(OCCSCC(C)C)c1 89508489 JNCOLMOTVWEPMQ-UHFFFAOYSA-N 295.448 3.547 0 40 CHAB COc1cc(C(=O)Cc2ccccc2)ccc1Cl 94007483 UJMXHDCUPCABDV-UHFFFAOYSA-N 260.720 3.774 0 40 CHAB Cc1cc(CN(C)Cc2cccnc2)c2ccccc2n1 96489103 KMECJHWGQUSKQS-UHFFFAOYSA-N 277.371 3.570 0 40 CHAB O=Cc1cc(Cl)c(Cl)c(OC(F)(F)F)c1 98210682 WVHPYHZLTHPKHN-UHFFFAOYSA-N 259.010 3.705 0 40 CHAB Cc1ccccc1[C@H]1OC2=Nc3ccccc3NC2=C1O 103981341 ZUGSXUFFDHAQHN-MRXNPFEDSA-N 278.311 3.992 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1CC[C@H]1CCCCN1 211626167 RMFTVQFBERWPGY-CABCVRRESA-N 296.455 3.698 0 40 CHAB O=C(O)c1ccnc([C@H]2CCCC23SCCCS3)c1 217630602 UIQDINZCNOLIRN-LLVKDONJSA-N 295.429 3.614 0 40 CHAB C[C@@H]1CCC[C@H](Nc2cccc(C[S@](C)=O)c2)[C@@H]1C 221359306 SILIOTDCYBBNAK-LYMQGIMYSA-N 279.449 3.802 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCC1CCCCC1 224439486 HIODSLZGGPQHMS-KRWDZBQOSA-N 289.419 3.849 0 40 CHAB COC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCCC1 225625385 JVIZSBVQVCGWJN-UHFFFAOYSA-N 291.391 3.619 0 40 CHAB Cc1ccc2ccccc2c1[C@H](O)c1cccc(N)c1 226294459 RPNNTCYMXQSQDR-GOSISDBHSA-N 263.340 3.812 0 40 CHAB Cc1cc(N)cc(Cl)c1NC(=O)c1cccs1 226756037 WWWBROIFIRQATR-UHFFFAOYSA-N 266.753 3.544 0 40 CHAB Cc1ccc(C)c(NC(=O)c2cc(C)n(C)c2C)c1 298152580 XCIKSRISSFTHSX-UHFFFAOYSA-N 256.349 3.511 0 40 CHAB C[C@@H]1CCCN(Cc2cc(F)ccc2Br)C1 309538446 FTLVQNACQAKORR-SNVBAGLBSA-N 286.188 3.820 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccc(CO)c1 616616601 JFVJNGDAJDCTQW-HNNXBMFYSA-N 291.391 3.641 0 40 CHAB CCN(CC)c1cc(C(F)(F)F)c2cccc(O)c2n1 685938464 TZSVYPUVFHSBSV-UHFFFAOYSA-N 284.281 3.805 0 40 CHAB COc1ccc(-c2c(C)c3ccc(OC)cc3oc2=O)cc1 58066 QKTZSGVZWBCCAP-UHFFFAOYSA-N 296.322 3.786 0 40 CHAB biogenic O=C(c1c[nH]c(-c2ccncc2)c1)c1cc(Cl)ccc1O 12597369 SXJBSGFHRDJQAS-UHFFFAOYSA-N 298.729 3.667 0 40 CHAB O=C(COc1ccc(Cl)cc1)OCc1ccc(F)cc1 1972406 QVLDSIKOSXJNCV-UHFFFAOYSA-N 294.709 3.601 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Cc2ccc(F)cc2)c(C)c1 1002650 IVNYEQMKAUCRBW-AWEZNQCLSA-N 285.362 3.862 0 40 CHAB C[C@H]1CCC[C@H](n2cnc3cc(C(=O)O)ccc32)[C@@H]1C 3913518 JFJGSDXMDSYRFY-WDMOLILDSA-N 272.348 3.732 0 40 CHAB Cc1cccc(Cn2c(=O)cc(C)c3cccc(C)c32)c1 1394032 SOPFYDJCAVVAAS-UHFFFAOYSA-N 277.367 3.975 0 40 CHAB CC(C)(C)c1nccc(-c2ccc(Cl)c(C(=O)O)c2)n1 72233631 ZDNLZHUJKKGMAS-UHFFFAOYSA-N 290.750 3.793 0 40 CHAB CCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1 2052116 HEMFMWSXMCLCKX-UHFFFAOYSA-N 284.812 3.733 0 40 CHAB CC(C)(C)C(=O)N[C@H]1CCSc2ccc(F)cc21 12853300 NUQZUBKKWBEZDO-NSHDSACASA-N 267.369 3.525 0 40 CHAB Cc1cccc(C(=O)c2ccc(CN3CCCC3)cc2)c1 2514546 MIMNIWBEFNDTGJ-UHFFFAOYSA-N 279.383 3.822 0 40 CHAB C[C@H]1CCc2[nH]c3ccc(C(=O)NC4CCCC4)cc3c2C1 9377386 RWDRVAOZQVQZRY-LBPRGKRZSA-N 296.414 3.965 0 40 CHAB O=C(O)C/C=C/c1ccc(OCc2ccccc2)cc1 62710458 UVUATMMBRHFWCD-QPJJXVBHSA-N 268.312 3.754 0 40 CHAB O=C1CCC(=O)N1C1CCCCCCCCCCC1 5382512 SYPOBYLCGYCRGY-UHFFFAOYSA-N 265.397 3.809 0 40 CHAB CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(N)c2C)cc1 19736327 YTUSLXQABPTLLW-ZDUSSCGKSA-N 298.386 3.546 0 40 CHAB CNc1nc(-c2cc(C)n(-c3cc(C)on3)c2C)cs1 6605386 BRKGSRUDUZIITJ-UHFFFAOYSA-N 288.376 3.556 0 40 CHAB CC[C@H](C)C(=O)Nc1ccc(Br)cc1C 5665440 TZJNTAQAOAFRSC-QMMMGPOBSA-N 270.170 3.742 0 40 CHAB CCc1ccc2[nH]cc(C(=O)c3ccc(C)cc3)c(=O)c2c1 67172444 VIGICEGHCHJTGG-UHFFFAOYSA-N 291.350 3.630 0 40 CHAB Cc1cc(C)cc(NS(=O)(=O)c2ccccc2Cl)c1 6919656 LDLHCZOPOIDADD-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB Cc1csc(S[C@H](C)C(=O)NC2CCCCCC2)n1 7816969 BNJISSKNPUWPQS-LLVKDONJSA-N 298.477 3.771 0 40 CHAB CSc1ccccc1C(=O)N(C)Cc1ccc(C)cc1 20456910 PUPNYSWINUKFQS-UHFFFAOYSA-N 285.412 3.989 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H]1C1CCCC1 95393234 GFESSBALJBZLOD-KRWDZBQOSA-N 282.387 3.963 0 40 CHAB C[C@H](NC(=O)c1cc(Cl)sc1Cl)C1CC1 8729254 PDDUWHMNGIYSKL-YFKPBYRVSA-N 264.177 3.583 0 40 CHAB Cc1ccc(CCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 20111367 QCRBCUDEXDXCQK-CQSZACIVSA-N 285.362 3.944 0 40 CHAB Cc1cc(CN(C)CCc2ccncc2)c2ccccc2n1 95999365 CAUFDMHEIKWFGD-UHFFFAOYSA-N 291.398 3.613 0 40 CHAB CC1=C(C)C[C@H](c2cn(-c3ccccc3)nn2)SC1 3844530 UYBPDWAFBVHPCQ-OAHLLOKOSA-N 271.389 3.782 0 40 CHAB biogenic C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2O 4692059 MGZZPWXYQSLHGQ-YISWTCPOSA-N 292.463 3.751 0 40 CHAB biogenic,in-vitro COc1ccc(C)cc1NC(=O)[C@@H](C)SC(F)(F)F 33147916 UQMYAPPMHPXXRV-MRVPVSSYSA-N 293.310 3.584 0 40 CHAB C[C@H](c1ccco1)N(C)Cc1cccn1-c1ccncc1 72397958 SWEZNQJICSXDKR-CQSZACIVSA-N 281.359 3.658 0 40 CHAB CC(C)n1cc(-c2ccc(Br)cc2)cn1 72209976 JGFGQFJWLMZVKY-UHFFFAOYSA-N 265.154 3.894 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 226893501 RAEVZJVIAYFCKP-HJAHTOOOSA-N 283.415 3.731 0 40 CHAB Cc1cc(NC(C)C)n2nc(-c3ccccc3)c(C)c2n1 40216674 NNBHAUZFNHFNSF-UHFFFAOYSA-N 280.375 3.833 0 40 CHAB COc1cc(C)c([C@@H](C)NC(=O)C2CC2)cc1C(C)C 223386720 HUUKOEPDBGGDEX-GFCCVEGCSA-N 275.392 3.714 0 40 CHAB CCC1(NC(=S)Nc2cccc(F)c2)CCCC1 225855236 JKPVNHUDGGSISH-UHFFFAOYSA-N 266.385 3.835 0 40 CHAB CCOc1cccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 225322761 KPHHIKZKAGKNGZ-JMSVASOKSA-N 290.432 3.560 0 40 CHAB CNc1ccc(-c2cc3ccccc3oc2=O)cc1 226280808 AUGQLFUYSATBCG-UHFFFAOYSA-N 251.285 3.502 0 40 CHAB CC[C@@](C)(NC(=O)c1ccsc1)c1nc(C)cs1 96423358 LEBSRTVQSMTEOZ-CYBMUJFWSA-N 280.418 3.568 0 40 CHAB O=C(c1ccc(Cl)c(F)c1)c1c(F)cccc1F 95916247 FTYIQWUALXDMKT-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB FC(F)c1cc2c(Cl)c(Br)cnc2[nH]1 575629046 IQNJEBXPKJOYNE-UHFFFAOYSA-N 281.487 3.916 0 40 CHAB COc1ccccc1CN[C@@H](C)Cc1ccc(C)cc1 585672787 CBRKBJHWROLUDO-HNNXBMFYSA-N 269.388 3.724 0 40 CHAB in-vitro CC(=O)Nc1cc(C)ccc1SCC(F)(F)F 75142594 PRJPWBIUVYTNAJ-UHFFFAOYSA-N 263.284 3.608 0 40 CHAB CCOc1ccc(NC(=O)c2ccc(Cl)cc2)c(N)c1 76859767 BMTAEVZEOIYLPQ-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB CC(C)C[C@H](N)C1(c2c(F)cccc2F)CCC1 1772714925 NVVFTUKJTNQEIZ-ZDUSSCGKSA-N 253.336 3.760 0 40 CHAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 5285204 RKWPYHHVQFPIKK-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB O=C(Nc1cccc2c1CCCC2)C(Cl)(Cl)Cl 16430879 IORUBAMPLCFSMI-UHFFFAOYSA-N 292.593 3.874 0 40 CHAB C[C@H](CCc1ccccc1)NCCc1ccccc1 13718411 WVNDASDBEDZRQL-MRXNPFEDSA-N 253.389 3.840 0 40 CHAB O[C@H](CCNc1ccc(Cl)cc1)c1ccccc1 5604208 UPAPSCIMJJKPFM-OAHLLOKOSA-N 261.752 3.876 0 40 CHAB O=C(Nc1ccc(F)cc1)c1ccc(Cl)s1 4076710 XSBUUAOCXSJDIC-UHFFFAOYSA-N 255.701 3.793 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)o1)c1cccs1 575610418 MKKJVOLZBUUDSN-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB Cc1ccc(CN(C)C(=O)c2csc3c2CCCC3)o1 40161726 XCLIVDBWDKNCSF-UHFFFAOYSA-N 289.400 3.801 0 40 CHAB CSc1ccc(Cl)c(C(=O)Nc2nccs2)c1 40253 IBSDYJWYXHNYHM-UHFFFAOYSA-N 284.793 3.771 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)Nc1ccc(Cl)cn1 20494126 KVEAJECAQDPRTC-UHFFFAOYSA-N 287.750 3.868 0 40 CHAB CCCc1noc([C@@H](C)N(C)CC2CCCCC2)n1 32769962 PMKRWRUYGVAVEY-GFCCVEGCSA-N 265.401 3.595 0 40 CHAB CCOc1ccccc1C(=O)Oc1ccc(C)cc1C 363890 YVYTZAJSZWZRGZ-UHFFFAOYSA-N 270.328 3.921 0 40 CHAB O=C1c2cc(Cl)ccc2-c2c(O)cc(Cl)cc21 1609844 SXMMYGMDDNLAIK-UHFFFAOYSA-N 265.095 3.910 0 40 CHAB O=C(Cc1ccccc1)Nc1cccc2c1CCCC2 3058112 MZGZRNCYEGLQHM-UHFFFAOYSA-N 265.356 3.747 0 40 CHAB Cc1noc(C)c1C(=O)Nc1ccc(Cl)c(Cl)c1 3105221 QMYBMGHOOVJZHK-UHFFFAOYSA-N 285.130 3.851 0 40 CHAB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1cccnc1)N2 4458701 IOVAHOLPZVDXOD-QGZVFWFLSA-N 276.343 3.534 0 40 CHAB CCCN(CCC)C(=O)c1cccc(NC(=O)C(C)C)c1 4696229 UNURVPKSWFPLEZ-UHFFFAOYSA-N 290.407 3.543 0 40 CHAB C[C@@H](CNC[C@H]1CCCO1)COc1cccc2ccccc12 4811912 VOHCIXMVPQJCBT-DOTOQJQBSA-N 299.414 3.623 0 40 CHAB CC[C@@H](C)Nc1nc(C)nc2c1oc1ccccc12 5254180 BJFMPXPJFNJWKE-SECBINFHSA-N 255.321 3.895 0 40 CHAB CCOc1ccc(-c2ncncc2-c2ccccc2)c(O)c1 5427306 SQJNKBMFONAESM-UHFFFAOYSA-N 292.338 3.915 0 40 CHAB biogenic CC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 5546761 GZVBBDRYRMILDP-UHFFFAOYSA-N 267.328 3.758 0 40 CHAB Cc1csc(NC(=O)CCc2c[nH]c3ccccc23)n1 5678443 MJOABYOZJWZJHF-UHFFFAOYSA-N 285.372 3.504 0 40 CHAB O=C(c1ccc(F)cc1)c1ccc(Oc2ncccn2)cc1 7466529 TZAWQBXWHURFHS-UHFFFAOYSA-N 294.285 3.639 0 40 CHAB O=C(CCSCc1ccccc1)NCc1ccccc1 7685608 WGIYMCZUCUYLPU-UHFFFAOYSA-N 285.412 3.626 0 40 CHAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1C 7886461 RPEGTKVMJQVNSN-KRWDZBQOSA-N 280.371 3.972 0 40 CHAB CSCc1cccc(C(=O)Nc2ccc(C)cc2O)c1 8241891 RTHPKOWQOJQORN-UHFFFAOYSA-N 287.384 3.816 0 40 CHAB C1CCC(Nc2nnc(SC[C@@H]3CCCO3)s2)CC1 9884863 QUAPUJWSXQZAQY-NSHDSACASA-N 299.465 3.554 0 40 CHAB O=C(CCc1ccco1)Nc1ccc(F)c(Cl)c1 10490893 IUKGFJAPMJCMAT-UHFFFAOYSA-N 267.687 3.643 0 40 CHAB Cc1nc(NC(=O)c2ccc(Cl)s2)sc1C 10590492 GEXXNGXATTWGSP-UHFFFAOYSA-N 272.782 3.727 0 40 CHAB Clc1ncccc1-c1ccc(Br)cn1 12359490 IDLUBXMKPAIZQB-UHFFFAOYSA-N 269.529 3.560 0 40 CHAB Cc1ccc(-c2csc(NC[C@H]3CCCO3)n2)s1 12986841 LBZJFZNFYXLAFY-SNVBAGLBSA-N 280.418 3.771 0 40 CHAB C[C@@H](c1ccccc1)N(C)c1ncnc2sccc12 12987447 AMEZOMQBYXWDCB-NSHDSACASA-N 269.373 3.889 0 40 CHAB COc1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1 13120483 NNGXWSJCTXANCH-DHZHZOJOSA-N 294.310 3.621 0 40 CHAB Cc1ccc(CNC(=S)Nc2cccc(F)c2)cc1 13786783 AJAXDEGQSZTLCY-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB O=C(Nc1nc2ccc(F)cc2s1)c1ccsc1 14201285 ACYPLKMUVWGXLZ-UHFFFAOYSA-N 278.333 3.749 0 40 CHAB CCCCCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 14722447 XARBKQJIYWGUNU-UHFFFAOYSA-N 273.332 3.620 0 40 CHAB COc1cc(/C=C2/C=Nc3ccccc32)ccc1O 17023370 KKINKORVJXAKLU-WQLSENKSSA-N 251.285 3.657 0 40 CHAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C)cc2)cc1 20104242 UKYAELYMEXXSLG-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB CCc1ccccc1NC(=O)Cc1ccccc1C 23123374 ULFVDSDFKQHFPR-UHFFFAOYSA-N 253.345 3.739 0 40 CHAB CO[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@H]1C 36094353 QMTKQILBJORGOU-SAUZDDAKSA-N 273.376 3.612 0 40 CHAB CCCCOc1ccc(Br)cc1C(C)=O 36193415 DRGBZWGYCMNVME-UHFFFAOYSA-N 271.154 3.831 0 40 CHAB CCOC(=O)c1ccc(OCc2ccc(C)cc2)cc1 39220520 XKXWWCKVFAKGBJ-UHFFFAOYSA-N 270.328 3.751 0 40 CHAB CSCc1nnc(SCc2ccccc2Cl)o1 40023668 UCRDUFNPVMDUIK-UHFFFAOYSA-N 286.809 3.878 0 40 CHAB O=C(NCCc1ccc(C(F)(F)F)cc1)C1CCCC1 40159477 NSXQHCXBPNGTMV-UHFFFAOYSA-N 285.309 3.554 0 40 CHAB O=C(Nc1ccccc1CN1CCCC1)c1ccccc1F 40516507 QUCZNVKPKOBSNT-UHFFFAOYSA-N 298.361 3.674 0 40 CHAB CCc1cc(Cl)ccc1OCCC1CCNCC1 42770950 GSKFZFUBEKOGCT-UHFFFAOYSA-N 267.800 3.671 0 40 CHAB O=C(CCc1cccc(Cl)c1)NCc1ccsc1 42930760 BHBWEJXZLTWRLA-UHFFFAOYSA-N 279.792 3.651 0 40 CHAB Cc1ccc(CNC(=O)c2ccccc2OC(C)C)cc1 44821655 VTVSSCITXPSPJN-UHFFFAOYSA-N 283.371 3.712 0 40 CHAB COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CC=CCC1 44909042 HWXMJIPGSFRNAD-UONOGXRCSA-N 273.376 3.571 0 40 CHAB Cc1cc(C)cc(-c2nc3cc(-n4cnnc4)ccc3o2)c1 57326748 QXVIZMQNXYIDKR-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB Cc1nc(Cl)cc(NCCc2c[nH]c3ccccc23)n1 58414044 DTHBDYQZQMZRPB-UHFFFAOYSA-N 286.766 3.574 0 40 CHAB O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1ccsc1 65422724 WHSBQYHDXGKSSA-CYBMUJFWSA-N 288.372 3.591 0 40 CHAB Nc1cc(OCc2ccccc2)ccc1Br 66348306 RTDSBDMPNWSMTH-UHFFFAOYSA-N 278.149 3.610 0 40 CHAB in-vitro Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c(N)c1 70462879 GKQOEIFERMCPNK-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB CC(=O)N1CCC[C@@H]1c1cccnc1Oc1ccccc1 72212192 KTPQTIIEZWAXLH-MRXNPFEDSA-N 282.343 3.557 0 40 CHAB COc1ncc([C@H]2CCCCN2CC(C)C)cc1C 72217744 RJJOSEROBQVSAB-OAHLLOKOSA-N 262.397 3.582 0 40 CHAB Cc1cccc(C(=O)c2cc(F)c(F)cc2F)c1 95917180 POYYTSOYNSUANM-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CC[C@@H]1CCc2c(sc(N)c2C(=O)OC(C)(C)C)C1 96034598 SDVPPAZEQURUSD-SECBINFHSA-N 281.421 3.801 0 40 CHAB CCOc1ccc2[nH]cc(CCNC3CCCC3)c2c1 96319602 FVLJSFGWEHLJMR-UHFFFAOYSA-N 272.392 3.641 0 40 CHAB O=C(NCCCCCOC1CCCCC1)C1[C@H]2CCC[C@H]12 101465939 CVJCDZVSYRHUJG-HOTGVXAUSA-N 293.451 3.668 0 40 CHAB C[C@H](O)[C@H](C)S[C@H](C)Cc1nc2ccccc2s1 107512453 PDVVQDIJQNEKQB-VWYCJHECSA-N 281.446 3.730 0 40 CHAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(Cl)cc1 216954331 KZZRRGRKAPNAKR-UHFFFAOYSA-N 299.757 3.784 0 40 CHAB Cc1ccc(CS(=O)(=O)NC(C)(C)CC(C)(C)C)cc1 224169836 IABVRWJHESSBMR-UHFFFAOYSA-N 297.464 3.629 0 40 CHAB CC[C@@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225273197 WLVJOZCTRZZAIX-LLVKDONJSA-N 266.410 3.559 0 40 CHAB Cc1cccc(C(=O)Nc2cc(Cl)c(C)cc2N)c1 226346835 ODZHKMJRWTWEFU-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB C[C@@H]1CC[C@H](Nc2ccccc2C[S@@](C)=O)C[C@H]1C 252587391 XWSFVTKYFIVRCA-PITQQHRWSA-N 279.449 3.802 0 40 CHAB CC[C@@H](C)n1nccc1CNc1nn(C(C)C)cc1C 256054042 USVLRZYJSFQLCO-CYBMUJFWSA-N 275.400 3.552 0 40 CHAB CC1=CC(C)(C)N([C@H](C(=O)O)C(C)C)c2ccccc21 260616327 ILOQPOOEZJFLBH-HNNXBMFYSA-N 273.376 3.798 0 40 CHAB O=C(COCc1ccccc1)c1cccc(OC(F)F)c1 390782828 UFVWUCGSCPAICW-UHFFFAOYSA-N 292.281 3.688 0 40 CHAB COc1ccc(NC(=O)c2ccc3sc(C)nc3c2)cc1 408978841 NNRQCAVWYWDQDR-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB O=C(CC1CC1)NCc1cc(-c2ccsc2)cs1 1888913560 HCXDOSORAFJUFX-UHFFFAOYSA-N 277.414 3.893 0 40 CHAB CN(C)CCCN1Cc2ccccc2Cc2ccccc21 1972 UKCVXGBHVGMFCN-UHFFFAOYSA-N 280.415 3.549 0 40 CHAB in-man Cc1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CCO 357717 UJROHQGNWZSUID-UHFFFAOYSA-N 296.415 3.670 0 40 CHAB CC1=Nn2c(nnc2-c2ccc(C(C)(C)C)cc2)SC1 532747 YDRQRTVHRPLNHT-UHFFFAOYSA-N 286.404 3.572 0 40 CHAB CCCCCC[C@@](C)(O)[C@H](C(=O)O)c1ccccc1 1577314 WSXBEMRFZYJPQB-GOEBONIOSA-N 264.365 3.576 0 40 CHAB Cc1ccc(C(=O)COC(=O)c2cccc(C)c2C)cc1 3239705 XDRJNUFCLPGDON-UHFFFAOYSA-N 282.339 3.652 0 40 CHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1F 4070394 KCZYJJVXQYODDF-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB C[C@H]1CCCN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 4185402 UIMQZAVFCDNWAF-NHCYSSNCSA-N 290.234 3.836 0 40 CHAB C[C@](O)(c1ccccc1)[C@@H](c1ccccc1)[C@@H]1CCCCN1 4783479 KDFJCXJFHLCCRU-UFYCRDLUSA-N 295.426 3.820 0 40 CHAB Cc1ccc(/C=C/C(=O)NC2CCCCCC2)cc1 5539612 STVSDNCLNJETKD-OUKQBFOZSA-N 257.377 3.847 0 40 CHAB Oc1ccc(Cl)cc1NC(=S)Nc1ccccc1 5800058 WSMAKVHYDXBIBN-UHFFFAOYSA-N 278.764 3.855 0 40 CHAB CC(=O)c1cccc(NC(=O)C2(c3ccccc3)CC2)c1 6561249 OWLYHZXYYNXSJC-UHFFFAOYSA-N 279.339 3.560 0 40 CHAB FC(F)(F)c1ccc(N/N=C/c2cccs2)nc1 6866714 DYVRKQAFNBNQRE-FRKPEAEDSA-N 271.267 3.608 0 40 CHAB COc1cccc(NC(=S)Nc2cc(C)ccc2F)c1 6965498 NJTHGKMCVUWGBU-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB C[C@@H]1CCc2nc(NC(=O)/C=C/c3ccco3)sc2C1 6995047 LOVLPHJOMAYCGI-BREXMAIKSA-N 288.372 3.513 0 40 CHAB O=C(Cn1ccc2ccccc21)Nc1ccc(F)cc1F 7099461 QTUJGKWDORHVRZ-UHFFFAOYSA-N 286.281 3.558 0 40 CHAB Cc1ccccc1CNC(=S)Nc1ccc(F)cc1 7390509 INEYRAQZWAUKAD-UHFFFAOYSA-N 274.364 3.621 0 40 CHAB Cc1cc(COC(=O)c2cc3c(s2)CC[C@H](C)C3)no1 7836442 YNKMUTHQYIMDIO-VIFPVBQESA-N 291.372 3.526 0 40 CHAB CC[C@H](NC(=O)c1ccncc1)c1ccc(Cl)cc1 8734162 DTLXSTXSSXNZEC-AWEZNQCLSA-N 274.751 3.616 0 40 CHAB COc1ccc(C(=O)O)cc1OCc1ccc(Cl)cc1 11952818 GZULLTCJEYTQAO-UHFFFAOYSA-N 292.718 3.626 0 40 CHAB COc1cccc(NC(=O)N[C@@H](C)c2ccccc2C)c1 13048469 CITLJACZCGOLHX-ZDUSSCGKSA-N 284.359 3.886 0 40 CHAB Cc1ccc(C(=O)c2c(N)sc3c2CCC3)c(C)c1 19776227 WTLOMMHGHMUZAC-UHFFFAOYSA-N 271.385 3.667 0 40 CHAB in-vitro CCNC(=O)c1cccc(OCc2ccccc2Cl)c1 22258205 PNNMCUQRVSKMEF-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cn1 22416668 SPNUYIBVYDVYAA-MRXNPFEDSA-N 286.350 3.656 0 40 CHAB C[C@@H](OC(=O)c1cccs1)C(=O)c1ccc(Cl)cc1 32603809 FAPFCTUTWKLZKK-SECBINFHSA-N 294.759 3.830 0 40 CHAB CN(C(=O)c1cc(C2CC2)nn1C(C)(C)C)c1ccccc1 40120803 ZGLXHBHCHWZAGK-UHFFFAOYSA-N 297.402 3.792 0 40 CHAB CC(C)CCN(C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 44488032 HJNPUYVBCCETAV-NWDGAFQWSA-N 279.346 3.860 0 40 CHAB Cc1cccnc1-c1ccc(Br)cc1F 45028362 TYVWYOJZWMJVFM-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB C[C@H]1CCCCN1Cc1cc(-c2cccs2)on1 48368140 QHCHMJLBRGXABV-NSHDSACASA-N 262.378 3.778 0 40 CHAB O=C1O[C@@H](c2ccccc2)Nc2cc(C(F)(F)F)ccc21 54363825 UNZMAZISGABVIK-ZDUSSCGKSA-N 293.244 3.987 0 40 CHAB O=C(O)C1(c2ccccc2Br)CCCCC1 55336232 JOBPBLUXMVBAQM-UHFFFAOYSA-N 283.165 3.736 0 40 CHAB CN(C(=O)COc1ccc(Cl)cc1)c1ccc(F)cc1 55750039 HTGBKDPJONFPCS-UHFFFAOYSA-N 293.725 3.521 0 40 CHAB Cc1ccc(Cl)c2sc(NC[C@@H]3CCCO3)nc12 56900922 WADLHSXDNCFEIX-VIFPVBQESA-N 282.796 3.849 0 40 CHAB C[C@@H](CCNC(=O)N[C@@H](C)c1ccncc1)c1ccccc1 58289610 GPFQXOHAQXBALY-GJZGRUSLSA-N 297.402 3.636 0 40 CHAB Cc1nc(C)c(C(=O)OCc2ccc(Cl)cc2)s1 58742739 NDDDTLDFQLBTSW-UHFFFAOYSA-N 281.764 3.770 0 40 CHAB CCC(C)(CC)NC(=O)Cc1coc(-c2ccccc2)n1 69874181 IGKGZRNSSGEDRI-UHFFFAOYSA-N 286.375 3.579 0 40 CHAB COc1ccccc1-c1nc2cc(Cl)ccc2[nH]1 70238365 WWSAAZFBTWUWBD-UHFFFAOYSA-N 258.708 3.892 0 40 CHAB CN1CCCC[C@H]1c1cccnc1OCc1ccccc1 72212094 PQMLSXFSNYYQLW-KRWDZBQOSA-N 282.387 3.817 0 40 CHAB CC(=O)N1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213992 LYRCIXDTCMBNRM-MRXNPFEDSA-N 287.407 3.510 0 40 CHAB CCCCN1CCC[C@H]1c1c(OC)cccc1OC 72221426 CPPIRHUPMGLVJS-ZDUSSCGKSA-N 263.381 3.641 0 40 CHAB Cc1c(Cl)cccc1C(=O)N[C@@H](C)c1cncs1 82286908 OUFXYNHLGAHHEL-VIFPVBQESA-N 280.780 3.596 0 40 CHAB CC[C@@]1(C)CCN(C(=O)c2ccc(F)cc2Cl)C1 84735405 LCOFPUMZNDXOQQ-AWEZNQCLSA-N 269.747 3.741 0 40 CHAB O=C(OCc1ccccc1)c1cccc2cc[nH]c12 89157478 UMGLSMYSWIQHOX-UHFFFAOYSA-N 251.285 3.525 0 40 CHAB O=Cc1c[nH]c2cc(COCc3ccccc3)ccc12 89203510 MFWKYGZJWHTLSA-UHFFFAOYSA-N 265.312 3.697 0 40 CHAB CC(=O)CCCOC(=O)c1cc2c(s1)CCCCCC2 89930327 MNQKVLDJLRMGEU-UHFFFAOYSA-N 294.416 3.933 0 40 CHAB CC[C@H]1CC[C@@H](C)N1c1cc(C)nc(-c2ccccn2)n1 95458740 UDUOVCPNBQBLPJ-KGLIPLIRSA-N 282.391 3.614 0 40 CHAB CC(C)(C)OC(=O)NCc1cccc(OC(F)(F)F)c1 95486386 SYQKKDAMNTUJEI-UHFFFAOYSA-N 291.269 3.610 0 40 CHAB CCCCOc1c(F)cc(F)cc1C(=O)C(F)(F)F 95732748 BWJJQYGJULICFM-UHFFFAOYSA-N 282.208 3.889 0 40 CHAB c1ccc([C@H](NC2CCCCCCC2)c2nnc[nH]2)cc1 95940858 AUCQOMSNKYSNHZ-INIZCTEOSA-N 284.407 3.597 0 40 CHAB CSc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1F 97017100 LKPGHFLGVDDJQP-MNOVXSKESA-N 293.411 3.693 0 40 CHAB COC1(OC)[C@H]2C=C[C@H]1[C@H]1[C@@H]3CC[C@H](c4ccccc43)[C@H]21 101044649 TXQRANBDSQOWKX-GVLSGGHMSA-N 282.383 3.699 0 40 CHAB Br/C=C(\Br)c1ccccc1 111414630 PBTWQCPURDEMRQ-VURMDHGXSA-N 261.944 3.775 0 40 CHAB Cc1c(-c2ccccc2F)nn(Cc2ccccc2)c1N 199750355 XFWQDVWPQBURFP-UHFFFAOYSA-N 281.334 3.628 0 40 CHAB Cc1cc(OCC(=O)NC(C(C)C)C(C)C)ccc1Cl 218936463 ACXSFVAXVDDHLV-UHFFFAOYSA-N 297.826 3.824 0 40 CHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCCC1 223731851 XLNSEBIDAMNQMN-HNNXBMFYSA-N 287.403 3.904 0 40 CHAB COc1cccc2cc(C(=O)NCC3CCCCC3)oc12 224097689 ZYZADNYNRCXDGF-UHFFFAOYSA-N 287.359 3.752 0 40 CHAB CCc1ccc(CC(=O)NCc2ccccc2Cl)cc1 224291809 CUTPXEBMSJELDV-UHFFFAOYSA-N 287.790 3.761 0 40 CHAB CCc1ccc(CC)c(CNC(=O)Cc2ccc(F)cc2)c1 224931159 BHVYXVSXEYXFOY-UHFFFAOYSA-N 299.389 3.809 0 40 CHAB CCCN(c1cccc2ccccc12)[C@@H](C)C(=O)O 224986403 OQKPRHQKSXKHHE-LBPRGKRZSA-N 257.333 3.529 0 40 CHAB Cc1ccnc(NC(=S)N[C@H](C)CCc2ccccc2)c1 225202462 ARDSUSHRJHAIQF-CQSZACIVSA-N 299.443 3.698 0 40 CHAB CC[C@@H](NC(=S)Nc1ncccc1C)c1ccccc1 225482316 BCPQPQZMKMPJCE-CQSZACIVSA-N 285.416 3.828 0 40 CHAB CC(C)(C)SCCNC(=O)c1ccc2c(c1)CCCC2 225627415 RKIYWHDJZSLDTP-UHFFFAOYSA-N 291.460 3.827 0 40 CHAB Cc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1 409205228 GQQZYTCAFYWWKE-UHFFFAOYSA-N 294.398 3.566 0 40 CHAB C[C@H]1CCCCN1C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 105766629 AOVYCUDSBDWJDJ-IPYPFGDCSA-N 275.392 3.737 0 40 CHAB CCOC(=O)[C@H](CC)C(O)(c1ccccc1)c1ccccc1 1682187 FRDBLWGQNYXCOQ-KRWDZBQOSA-N 298.382 3.512 0 40 CHAB CN(C)c1ccc(C(=O)Cc2ccc3ccccc3n2)cc1 1763203 APZNRJBHRDTAJM-UHFFFAOYSA-N 290.366 3.726 0 40 CHAB NCCc1c(-c2ccc3ncccc3c2)[nH]c2ccccc12 6733629 SUKKRFFHFNTDAU-UHFFFAOYSA-N 287.366 3.884 0 40 CHAB CC1(C)CCC(CSc2nnc(N)n2C2CC2)CC1 95992773 FORRQFFBFLBAMZ-UHFFFAOYSA-N 280.441 3.504 0 40 CHAB CC(C)Cc1ccc(-c2cnc(CCC(=O)O)o2)cc1 12505270 VISKHAXVXGLINM-UHFFFAOYSA-N 273.332 3.557 0 40 CHAB Cc1ccsc1CNC(=O)CCc1ccccc1Cl 25720350 NVEVGTRNZPIMFA-UHFFFAOYSA-N 293.819 3.959 0 40 CHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 8558609 ZVZJTJSBVDBWMD-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB Clc1cccc2sc(NC[C@H]3CCCO3)nc12 26423894 RBQANZFFIULCIZ-MRVPVSSYSA-N 268.769 3.541 0 40 CHAB CCC[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)O 8730668 QJPYUIUVISFHBC-SNVBAGLBSA-N 262.136 3.659 0 40 CHAB C[C@]12C[C@@H](c3ccccc31)[C@@](C)(O)c1ccccc12 101020737 KDXRXFMOGDIKSH-BZSNNMDCSA-N 250.341 3.701 0 40 CHAB CCOC(=O)CCCCCC(=O)C1CCCCC1 2243654 CGLXGLVLRGHIRH-UHFFFAOYSA-N 254.370 3.649 0 40 CHAB Cc1cc(Cl)nc(COc2ccc(Cl)c(C)c2)n1 58043506 LFJAGARJQRUWES-UHFFFAOYSA-N 283.158 3.979 0 40 CHAB CC[C@H](NCc1cn2ccsc2n1)c1ccc(F)cc1 95421034 RFKUVNHDGHLCFX-AWEZNQCLSA-N 289.379 3.776 0 40 CHAB COc1ccc(C(=O)c2ccc(CN3CCCC3)cc2)cc1 2514550 WGNKLEOMNXCKBY-UHFFFAOYSA-N 295.382 3.522 0 40 CHAB Cc1cccc(C(=O)c2cccc(CN3CC=CC3)c2)c1C 2515397 HSHLHUZFCPXEGE-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1 2626182 ZMFGOEYSWYLXCD-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 2783900 AGGSIEONHNHNID-NWDGAFQWSA-N 299.271 3.991 0 40 CHAB Cc1nc(-c2ccc(NC(=O)C3CCCC3)cc2)co1 12935353 RELIEWHZEUGDRS-UHFFFAOYSA-N 270.332 3.779 0 40 CHAB CC(C)(CC(=O)O)CC(=O)Nc1ccccc1C(C)(C)C 13006624 FIDQPSYDPZGDCH-UHFFFAOYSA-N 291.391 3.814 0 40 CHAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccccc1 4070342 BZLYWJBGVOMBFZ-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCc2ccccc21 5322594 BVOPYZLUOONHCE-UHFFFAOYSA-N 280.302 3.510 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccc(Br)cc1F 5593245 NKTUPMHPHWJOQA-SSDOTTSWSA-N 274.133 3.573 0 40 CHAB Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(F)c1 7402804 VOBYWYFLWJWRBL-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB COCc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 8075442 QAMKZRVNSJJMOI-UHFFFAOYSA-N 293.725 3.878 0 40 CHAB CCc1ccc(-c2nc3cc(N)cc(C)c3o2)cc1 70461449 AASXHSBFHXMFFA-UHFFFAOYSA-N 252.317 3.948 0 40 CHAB Cc1ccc(Cc2cc(C)cc(C)c2S(C)(=O)=O)cc1 18194203 ORVKINLULOGJNL-UHFFFAOYSA-N 288.412 3.606 0 40 CHAB CCc1c(N[C@@H](C)c2ccccn2)cnn1CC(C)C 97038715 BQQYZWJAIWFPPI-ZDUSSCGKSA-N 272.396 3.670 0 40 CHAB Cc1ccc(Cl)cc1C(=O)C(F)(F)Br 307244163 LAZNFPSFUKSXHV-UHFFFAOYSA-N 283.499 3.819 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)Cc2cccs2)cc1 22250563 AMZIEUXQUKPHMJ-LLVKDONJSA-N 291.441 3.890 0 40 CHAB CC1(C)O[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2O1 3844381 OGYWZLRKXZWQGH-OPQOLIRYSA-N 278.351 3.798 0 40 CHAB biogenic C/C=C/C=C/C(=O)Nc1nc(C)c(-c2ccccn2)s1 30937944 MVVSOKOTDQIDCL-PRKJJMSOSA-N 285.372 3.584 0 40 CHAB C[C@H]1C[C@H](C)CN(Cc2c(C3CC3)[nH]c3ncccc23)C1 72393359 XDHNHUSEJYPHFQ-STQMWFEESA-N 283.419 3.918 0 40 CHAB CN(Cc1cccc(F)c1)C(=O)c1cccc2c1ccn2C 524017708 PRDFSGAOCMCNHW-UHFFFAOYSA-N 296.345 3.590 0 40 CHAB Cc1ncsc1-c1nc(CSc2ccoc2C)no1 131400605 DWPVRRMMIAYRPG-UHFFFAOYSA-N 293.373 3.695 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1F 45175016 DDKLGVNPSQCLNL-LBPRGKRZSA-N 287.334 3.634 0 40 CHAB CNc1ccc2nc(-c3ccc(OC)c(OC)c3)oc2c1 226271966 OBKDFFVHRSFMSH-UHFFFAOYSA-N 284.315 3.554 0 40 CHAB Cc1cc(C(=O)NCCO[C@H]2CCCC[C@H]2C)sc1C 40108236 QBRMVSMLNQTGQO-RISCZKNCSA-N 295.448 3.690 0 40 CHAB CCCCN[C@H](CC)c1ccc(OCC)c(OC)c1 222638545 BUPLGEJTHLMBNT-CQSZACIVSA-N 265.397 3.935 0 40 CHAB CC1(C)CCNc2cc(F)c(Br)cc21 225811227 XTYGVKIWQUIDQX-UHFFFAOYSA-N 258.134 3.681 0 40 CHAB CCCCn1c(C)c(CNC(C)C)c2cc(O)ccc21 223768539 QHUJAAAWIJZNFL-UHFFFAOYSA-N 274.408 3.953 0 40 CHAB CO[C@H](C)c1nc(Cl)cc(-c2ccccc2F)n1 96529155 PQDBWOKHHDGZRY-MRVPVSSYSA-N 266.703 3.644 0 40 CHAB C1=C(CCN[C@H]2CC3(CCC3)Oc3ccccc32)CCOC1 90809476 GZCKNXVNDPBNFL-KRWDZBQOSA-N 299.414 3.759 0 40 CHAB CC1(C)C[C@@H](Cn2ccc(-c3nccs3)n2)C(C)(C)O1 882989463 RIEORMVRWXBYBI-NSHDSACASA-N 291.420 3.600 0 40 CHAB CCOc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1 40243886 POGUZKHYQZDBEY-HNNXBMFYSA-N 262.736 3.820 0 40 CHAB Cc1ccc(F)cc1NC(=O)NC1CCC(C)CC1 40097796 CPLMGIVGTDGVCP-UHFFFAOYSA-N 264.344 3.834 0 40 CHAB CNCc1cc(F)ccc1Oc1ccc(F)cc1F 12359660 MFAJRYWQXVCHHW-UHFFFAOYSA-N 267.250 3.616 0 40 CHAB COC(=O)c1ccccc1NCc1cccc2[nH]ccc12 15423593 HYCIHTWKMNRWLO-UHFFFAOYSA-N 280.327 3.567 0 40 CHAB c1ccc2nc(SCc3cn4ccsc4n3)cnc2c1 16545594 FQPUXGIQBWXKQM-UHFFFAOYSA-N 298.396 3.631 0 40 CHAB Cc1ccc(C(=O)NCc2ccccc2C)cc1C 18833954 QACKRZRLLYQHLM-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB Cc1cccc(NC(=O)NCc2ccccc2Cl)c1 137629 RQQFPFUSWDZCPN-UHFFFAOYSA-N 274.751 3.970 0 40 CHAB O=C(O)c1sccc1SCc1ccccc1 34211239 KASGJWVNJHAGGA-UHFFFAOYSA-N 250.344 3.739 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)C(C)(C)C 32904056 BCBUOVONIFDRRJ-NSHDSACASA-N 251.395 3.630 0 40 CHAB Cc1csc(C2=C(O)CN(C3CCCCCC3)C2=N)n1 102721570 AREUFNUEJDAJJT-UHFFFAOYSA-N 291.420 3.736 0 40 CHAB c1ccc([C@@H](c2c[nH]c3ccccc23)N2CCCC2)nc1 101833 KMUFNTCIBVGBFX-GOSISDBHSA-N 277.371 3.748 0 40 CHAB Cc1nc(-c2ccc(NC(=O)c3ccccc3)c(C)c2)no1 1428892 GBSPAYABXBOCJT-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB O=C1O[C@](Cl)(C(Cl)(Cl)Cl)c2ccccc21 1581214 VFTIEGAAXQZMIT-QMMMGPOBSA-N 285.941 3.619 0 40 CHAB COc1ccc2c(c1OC)[C@@H]1CCCC[C@H]1SCC2=O 1653748 HIGXJWNBEAVHPT-BXUZGUMPSA-N 292.400 3.660 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 2580271 VWYDIJUCDVTBEO-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB C=C1c2ccccc2NC(=S)N1c1ccc(OC)cc1 3426565 FFSLYSTZUKPTHD-UHFFFAOYSA-N 282.368 3.883 0 40 CHAB Nc1cc(Cl)cc(Cl)c1C1=Nc2ccccc2C1=O 3844888 KJOCIXZTGPZOFT-UHFFFAOYSA-N 291.137 3.893 0 40 CHAB biogenic COc1ccc(C)cc1NC(=O)COc1cccc(C)c1C 4702869 PJPXKSLYCHCDMV-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB O=C(O)c1ccccc1C(=O)O[C@H]1CCC[C@H]2CCC[C@H]12 4990560 VEGRITIPQKETSW-XUJVJEKNSA-N 288.343 3.510 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)c1cnc2ccccc2n1 5424825 WACUSNNEWGCBKS-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB CC(=O)Nc1cccc(OCc2cc(C)ccc2C)c1 5462102 UBKWMFAIZZBWPM-UHFFFAOYSA-N 269.344 3.841 0 40 CHAB CCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 5718584 HRMBLFNBKLEZKA-RVDMUPIBSA-N 265.312 3.578 0 40 CHAB COc1ccccc1-c1c(C)noc1-c1ccc(O)cc1O 6719638 QJGMNBFOCGNUBZ-UHFFFAOYSA-N 297.310 3.737 0 40 CHAB biogenic Cc1ccc(Cl)cc1NC(=O)c1cnc2ccccc2n1 7213175 ARUHBDWATZSZQH-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB Cc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1 7793789 XWTUEUDUTVCBEE-UHFFFAOYSA-N 297.383 3.554 0 40 CHAB CCOc1ccccc1NC(=O)CCc1ccccc1F 8269764 PNNNODLQDBLTMY-UHFFFAOYSA-N 287.334 3.796 0 40 CHAB Cc1ccc(C)c(NC(=S)N(C)CCc2ccccn2)c1 8687449 YXNYTZMRBJBUKR-UHFFFAOYSA-N 299.443 3.570 0 40 CHAB Cc1cc(NC(=O)c2nc(-c3ccccc3)oc2C)ccn1 9256227 WRWHBJUSGUMPMG-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB C[C@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2)C1 10541792 LAKLSGLQRZFYRL-ZDUSSCGKSA-N 295.810 3.758 0 40 CHAB C[C@H]1Cc2ccccc2N1Cc1nc(-c2ccccc2)no1 12536591 CLEDCRJYXDGVSD-ZDUSSCGKSA-N 291.354 3.688 0 40 CHAB Nc1cc(C(F)(F)F)ccc1OCCc1ccccc1 14629448 PECWWJLGZZBMLD-UHFFFAOYSA-N 281.277 3.909 0 40 CHAB O=C(CCOc1ccccc1)NC12CC3CC(CC(C3)C1)C2 16022525 NROCQXBJYYZNHZ-UHFFFAOYSA-N 299.414 3.541 0 40 CHAB CCCCn1nc(C)c2c(C(F)(F)F)cc(C)nc21 16991897 RWUILJODYXZZNE-UHFFFAOYSA-N 271.286 3.867 0 40 CHAB O=C(c1sc2cccc(F)c2c1Cl)n1cccn1 17008431 BVKJDASBXQLKFJ-UHFFFAOYSA-N 280.711 3.579 0 40 CHAB CCc1nnc(SCc2c(F)cccc2Cl)n1CC 17024864 QYNNBSZHGGPKGJ-UHFFFAOYSA-N 299.802 3.945 0 40 CHAB O=C1O[C@@H](/C=C\c2ccccc2)Sc2ccccc21 17161388 RGNQSOOYPAWNOV-JQPIKURYSA-N 268.337 3.989 0 40 CHAB O=C(Cc1ccc2ccccc2c1)NCCc1cccs1 17909475 YCIMIYRMEOOONJ-UHFFFAOYSA-N 295.407 3.803 0 40 CHAB N=C(N)Nc1ccc(/C=C2\C=Cc3ccccc32)cc1 18054087 BOGIJBDMOQJRFY-SDNWHVSQSA-N 261.328 3.559 0 40 CHAB COc1ccc(C)cc1NC(=O)C1(c2ccc(F)cc2)CC1 21695585 RDHVFXNXCJHTTA-UHFFFAOYSA-N 299.345 3.813 0 40 CHAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cn1 23056869 ARVYOTXKPPICMA-KRWDZBQOSA-N 282.387 3.907 0 40 CHAB O=C(c1cc2c(s1)CCCC2)N1CCOc2ccccc21 24585999 HKCJWXGZNCGDHK-UHFFFAOYSA-N 299.395 3.666 0 40 CHAB CCOc1ncccc1NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 27581256 JKKHVGLXNFSZHZ-JSGCOSHPSA-N 288.391 3.657 0 40 CHAB Cc1ccc(C)c(NC(=O)Nc2nc3ccccc3n2C)c1 27923944 MDQJUDSEEJLUKW-UHFFFAOYSA-N 294.358 3.834 0 40 CHAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccncc1 31806496 LIDUSXAQNRJUEG-OAHLLOKOSA-N 286.400 3.804 0 40 CHAB Clc1cccc(CNc2ccc3cn[nH]c3c2)c1 32538776 HIFHSLDUSKSTBQ-UHFFFAOYSA-N 257.724 3.828 0 40 CHAB CN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 32900697 GAOXHCKJHLEEAF-UHFFFAOYSA-N 291.354 3.553 0 40 CHAB O=C(Nc1ccnn1C1CCCCC1)c1ccccc1F 32969272 YIINHALVGZRYLE-UHFFFAOYSA-N 287.338 3.780 0 40 CHAB O=C1Nc2ccccc2/C1=C/c1ccccc1OC(F)F 33390745 BLZMDWSNSWXKIO-XFXZXTDPSA-N 287.265 3.781 0 40 CHAB O=C(Nc1nccs1)c1cc2ccccc2c(Cl)n1 36951556 GPZJLLHHONGIOX-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1ccsc1 40107755 UCNKGQDUFYXHNY-CQSZACIVSA-N 297.383 3.602 0 40 CHAB O=C(N[C@H]1CCCc2occc21)c1cc2ccccc2[nH]1 40432423 FEMDSOBNZJVCHH-AWEZNQCLSA-N 280.327 3.568 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1cncc2ccccc12 45028913 FDBAMISNZANRAA-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB O=C(NC1CCC(c2ccccc2)CC1)c1ccoc1 45417675 STRNKAFJARNIOP-UHFFFAOYSA-N 269.344 3.736 0 40 CHAB CCc1ccc(CNC(=O)Nc2ccccc2OC)s1 45950104 MBJZKFIYOSQOOV-UHFFFAOYSA-N 290.388 3.641 0 40 CHAB O[C@@H](CCC1OCCCO1)c1ccc(Cl)cc1Cl 59654126 WNIBCTBMWCXZCT-LBPRGKRZSA-N 291.174 3.570 0 40 CHAB CCOC(=O)/C=C/c1cccc(OCc2ccccc2)c1 62714412 JNYOQEZSTSEQDN-VAWYXSNFSA-N 282.339 3.842 0 40 CHAB COc1ccc(C(=O)c2ccc(C)c(Cl)c2)cc1 63021125 MHRJJQHWOOLAAG-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB c1ccc(C(OC[C@@H]2CCCCN2)c2ccccc2)cc1 71256391 ADYVVJDGFHEUSH-SFHVURJKSA-N 281.399 3.935 0 40 CHAB O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1Cl 72211507 LTYMNGXNGZAHPL-AWEZNQCLSA-N 286.762 3.712 0 40 CHAB Sc1ncccc1[C@H]1CCCN1Cc1ccccc1 72217050 LUWLKJZPTKEDJC-OAHLLOKOSA-N 270.401 3.707 0 40 CHAB CN1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72348554 QQFZQZVZFZVBAY-CQSZACIVSA-N 270.351 3.697 0 40 CHAB COc1ccccc1-c1ccc(C2CCN(C)CC2)nc1 72365119 FSVFBGNFNZJNSB-UHFFFAOYSA-N 282.387 3.566 0 40 CHAB Cc1cc(C)c(O)c(-c2nn(-c3ccccc3)cc2C=O)c1 96305996 PCVUWTIJDCZUET-UHFFFAOYSA-N 292.338 3.674 0 40 CHAB CCOC(=O)c1nc(CSc2cccs2)cs1 96409132 STWWEMUIOHULLG-UHFFFAOYSA-N 285.415 3.674 0 40 CHAB COc1ccc(C[C@@H](C)Nc2c(C)noc2C2CC2)cc1 97162396 FFVZBYQVKLLPLC-LLVKDONJSA-N 286.375 3.912 0 40 CHAB Cc1csc(C2=C(O)CN([C@@H](C)c3ccccc3)C2=N)n1 102720843 AXRUSIZKDYXCPN-NSHDSACASA-N 299.399 3.775 0 40 CHAB CCOc1ccc(/N=c2/ccn3ccccc3c2)cc1 104209201 OPFQXKLFMQIVPQ-SDXDJHTJSA-N 264.328 3.570 0 40 CHAB Cc1c(-c2ccccc2)[nH]c2c(F)cccc2c1=O 128804306 WQLPEPJQWRGTHV-UHFFFAOYSA-N 253.276 3.643 0 40 CHAB CCc1ccc([C@@H](C)N[C@@H](CC)c2c(C)nn(C)c2C)o1 133847422 OPSAMYKIPSLRIM-ABAIWWIYSA-N 289.423 3.994 0 40 CHAB Nc1cc(OC(F)(F)F)c(Br)cc1Cl 168467845 NUCJNDMRLBQJAH-UHFFFAOYSA-N 290.466 3.583 0 40 CHAB O=C(c1ccc(OC(F)(F)F)cc1)N1[C@H]2C=CC[C@H]1CC2 208017191 YIDZRURYGJVSMK-RYUDHWBXSA-N 297.276 3.518 0 40 CHAB CCCCN[C@H](CC)c1cccc(OC)c1OC 222637730 ZQFRGOZRANTIOF-CYBMUJFWSA-N 251.370 3.545 0 40 CHAB CC[C@H](C(=O)OC)N1c2cc(C)ccc2C(C)=CC1(C)C 223198795 VSBNWDASMWIQHX-OAHLLOKOSA-N 287.403 3.949 0 40 CHAB CCCN(CCCC(=O)O)c1cccc2ccccc12 224986461 WPUACSAIWPBLSQ-UHFFFAOYSA-N 271.360 3.921 0 40 CHAB CCCN(c1cccc(C(F)(F)F)c1)[C@@H](CC)C(=O)O 224996637 UAOZLMMWVJFRSP-LBPRGKRZSA-N 289.297 3.785 0 40 CHAB Cc1ccc(C[C@H](OCc2ccccc2)C(=O)O)cc1C 225035791 NZDNPJRPZWNQEQ-KRWDZBQOSA-N 284.355 3.516 0 40 CHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)C(C)C 225230702 GMHVAEXWCFKQBA-GDBMZVCRSA-N 277.408 3.622 0 40 CHAB C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12CC[C@]3(C)OC=O 254401712 AHZYNUWTBDLJHG-UVQHHTHUSA-N 250.382 3.791 0 40 CHAB C=Cc1ccc(C(=O)C(F)(F)Br)cc1 307249976 PCNLRZMIPWNYJL-UHFFFAOYSA-N 261.065 3.500 0 40 CHAB CC(C)C[C@@H](N)C1(c2cccc(F)c2F)CCC1 1772714908 JPAIHBBEKWXXQK-CYBMUJFWSA-N 253.336 3.760 0 40 CHAB CC(=O)N(C)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 31629 PJBUDJTXKCOSHO-UHFFFAOYSA-N 296.370 3.538 0 40 CHAB C[C@]12OC3(CCCCC3)[C@](C)(OC13CCCCC3)O2 61879 NZCCQNTZOZYXFU-KBPBESRZSA-N 266.381 3.902 0 40 CHAB Cc1ccc(NS(=O)(=O)c2ccccc2C)cc1Cl 364277 LUULYMLECVEBEG-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB Cc1cc(NC(=O)COc2ccccc2)ccc1Cl 365899 SQPJBSLHMMVFBW-UHFFFAOYSA-N 275.735 3.666 0 40 CHAB CC(C)CO[C@H]1CCC[C@H](Oc2ccccc2)O1 1677140 WKHNXJDXZCRGQN-HUUCEWRRSA-N 250.338 3.591 0 40 CHAB CCOC(=O)Nc1cccc2c1-c1ccccc1C2 1713239 VRUXBOIKSWWYNV-UHFFFAOYSA-N 253.301 3.826 0 40 CHAB O=C(OCc1cccc(Cl)c1)c1ccccc1F 3247563 PMORHEGESKZISS-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB Cc1ccccc1NC(=O)CN[C@H]1CCCc2ccccc21 3339707 LJAADATYVQDVAG-SFHVURJKSA-N 294.398 3.601 0 40 CHAB CC1CCC2(CC1)N=C(S)C(c1cccc(F)c1)=N2 4890656 LXPHCRWIGRCKEM-UHFFFAOYSA-N 276.380 3.863 0 40 CHAB CN(CC(C)(C)[C@@H](O)c1ccccc1)C(=O)c1ccccc1 5434598 NEJBKWYGQLTJPZ-KRWDZBQOSA-N 297.398 3.518 0 40 CHAB C[C@H](CC(=O)Nc1cccc(F)c1)c1ccccc1 5560125 MUZNZNSJBWDMEQ-GFCCVEGCSA-N 257.308 3.958 0 40 CHAB NCc1ccccc1-c1cccc(C(F)(F)F)c1 5764200 HELJHEYXZQTZDX-UHFFFAOYSA-N 251.251 3.831 0 40 CHAB Cc1cc(C)[n+](CCCC[n+]2c(C)cc(C)cc2C)c(C)c1 5922183 QUHGCUQSYQADEQ-UHFFFAOYSA-N 298.474 3.593 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 5968225 PETBQYHYPIXEKG-UHFFFAOYSA-N 294.398 3.843 0 40 CHAB CCCCCn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 6078002 KQWPMZKLANTXFC-UHFFFAOYSA-N 294.445 3.799 0 40 CHAB CCc1nonc1NC(=O)c1oc2c(C)c(C)ccc2c1C 6743427 IIEHIEQNOLGWGM-UHFFFAOYSA-N 299.330 3.556 0 40 CHAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)C1CC1 8727337 XTLHVPGYKXQCLF-MRVPVSSYSA-N 292.429 3.708 0 40 CHAB Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 8916607 BNZULELRJSBFFX-UHFFFAOYSA-N 283.346 3.939 0 40 CHAB CCC(=O)Nc1cccc(/C=C/c2ccccn2)c1 11486991 YTMGKZLQGHHCIA-MDZDMXLPSA-N 252.317 3.601 0 40 CHAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1OC 12750924 WYGKAMKQMDWOFU-UHFFFAOYSA-N 299.370 3.963 0 40 CHAB C[C@@H](NCC1(O)CCCCC1)c1cccc(Cl)c1 14113701 WJSWATFZAFNABR-GFCCVEGCSA-N 267.800 3.686 0 40 CHAB CCCN(CCC)C(=S)Nc1cc(C)ccc1OC 17008413 DDAWMRGPEITXDC-UHFFFAOYSA-N 280.437 3.822 0 40 CHAB CC(C)c1ccc(CNC[C@@H](O)c2ccccc2)cc1 20028141 ABAYPBNJVATNDZ-GOSISDBHSA-N 269.388 3.633 0 40 CHAB CC(=O)Nc1cccc([C@@H](C)NCc2cccc(F)c2)c1 20187460 ZNMAVIHRFRMFHL-GFCCVEGCSA-N 286.350 3.635 0 40 CHAB CC[C@@H](c1ccccc1)c1nc(-c2ccc(O)cc2)no1 20432772 XWUNVHVAFSGPAS-HNNXBMFYSA-N 280.327 3.984 0 40 CHAB O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1ccccc1 25463507 MVTBBLXGPHYJBR-OAHLLOKOSA-N 282.343 3.529 0 40 CHAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(Cl)s1 25526463 IQOWMXUTYQOXFT-UHFFFAOYSA-N 298.795 3.751 0 40 CHAB Cc1cccc2c(Nc3cccc(O)c3)ccnc12 28313663 RIZXXBRSIFCPHF-UHFFFAOYSA-N 250.301 3.992 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)N1CCCC(C)(C)C1 30755356 FSTIGUDCJXRVIT-AWEZNQCLSA-N 289.419 3.665 0 40 CHAB CCc1ccc(C(=O)c2c(F)cc(F)cc2F)cc1 36942139 PCTOCTPICHKBAS-UHFFFAOYSA-N 264.246 3.897 0 40 CHAB Clc1ccc(NCc2n[nH]c(-c3ccccc3)n2)cc1 40174503 HJTYRNVRVFKSSU-UHFFFAOYSA-N 284.750 3.737 0 40 CHAB Clc1ccc(COCCC2CCNCC2)c(Cl)c1 42771820 AIOMGAWPJBHMRJ-UHFFFAOYSA-N 288.218 3.900 0 40 CHAB CCOc1ccccc1NC(=O)NCc1sccc1C 43332488 LCZUESDPQGRDGM-UHFFFAOYSA-N 290.388 3.777 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N(C)C2CCCCC2)c1C 44903007 WJTZSZZAOUMMPW-HNNXBMFYSA-N 289.419 3.862 0 40 CHAB S=C(Nc1ccccc1-c1cccs1)NC1CC1 54296461 HMWSEHNXSNBOIS-UHFFFAOYSA-N 274.414 3.864 0 40 CHAB Cc1cc(F)ccc1NC(=O)N(Cc1ccncc1)C1CC1 58344169 AWXWHXQDRQKIFK-UHFFFAOYSA-N 299.349 3.726 0 40 CHAB Cc1ccc(-c2csc(Nc3ncccn3)n2)cc1C 67321705 WCBHZDXWCHWVCD-UHFFFAOYSA-N 282.372 3.961 0 40 CHAB Cc1cc([C@@H]2CCCCN2C(C)C)cnc1S 72218280 PFBKRGPFROJBQN-ZDUSSCGKSA-N 250.411 3.614 0 40 CHAB Cc1ccc(-c2cc(C3(C(=O)O)CCCC3)no2)cc1 72220614 LLONZCPGFQVNOW-UHFFFAOYSA-N 271.316 3.546 0 40 CHAB CC(C)N1CCN(c2ccc(SC(C)(C)C)cn2)CC1 72225623 KMRQEVLOOBQAMR-UHFFFAOYSA-N 293.480 3.503 0 40 CHAB Fc1cc2ncn(CN(C3CCCC3)C3CC3)c2cc1F 75666852 QIQJJADUHVYBMD-UHFFFAOYSA-N 291.345 3.679 0 40 CHAB c1cc2[nH]ncc2cc1NCc1cnc(C2CC2)s1 95440138 XBZWQOSTGJMNLJ-UHFFFAOYSA-N 270.361 3.509 0 40 CHAB CCC[C@H](CN1CCC[C@H]([C@@H](C)O)C1)c1ccccc1 95468619 FXTDLOQKWDLYFF-BPQIPLTHSA-N 275.436 3.663 0 40 CHAB c1cc(-c2csc(Nc3ccc4c(c3)OCO4)n2)co1 96124505 VQNVBJGQKZBJRX-UHFFFAOYSA-N 286.312 3.875 0 40 CHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(F)cc1)CC2=O 100748710 VINHUFDSNVOWBY-IAGOWNOFSA-N 289.350 3.550 0 40 CHAB C[C@]12CC[C@H]3[C@@H](C=C[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O 118936211 XGWRPPUOKMMEOO-CUZKMJQKSA-N 290.447 3.527 0 40 CHAB O=C(c1ccco1)N1CCCSc2ccc(F)cc21 190429375 ZRLNYUABKUDQMW-UHFFFAOYSA-N 277.320 3.561 0 40 CHAB Cc1ccoc1C(=O)N(CC(F)F)c1ccc(F)cc1 193856486 LBIOWJBGLTVEKR-UHFFFAOYSA-N 283.249 3.639 0 40 CHAB O=C(c1ccoc1)N1CCS[C@@H](c2ccccc2)CC1 208041913 QGVDDFSZUPSOAH-OAHLLOKOSA-N 287.384 3.600 0 40 CHAB FC(F)(F)c1nnc(SCc2cccc(Cl)c2)[nH]1 216926885 JDRFAGPPESQYDZ-UHFFFAOYSA-N 293.701 3.769 0 40 CHAB CCCOc1ccc2c(c1)c(CNCC)c(C)n2CC 223763981 BPYOIOXTESGNRL-UHFFFAOYSA-N 274.408 3.868 0 40 CHAB O=C(c1cc2ccccc2o1)N1CCC(=C2CC2)CC1 238958736 YFSXRFBIDRHTIO-UHFFFAOYSA-N 267.328 3.759 0 40 CHAB Cc1ncccc1CNC(=O)Nc1ccc(C2CCC2)cc1 529086518 UJRXMEIACIXIDD-UHFFFAOYSA-N 295.386 3.979 0 40 CHAB O=C(NCc1cncc(-c2ccoc2)c1)Nc1ccccc1 575620584 ORSCPHVOLYVQSL-UHFFFAOYSA-N 293.326 3.663 0 40 CHAB OCc1ccccc1CNc1cccc2ccccc12 46500 GZPZDUGBDYVLNT-UHFFFAOYSA-N 263.340 3.944 0 40 CHAB Cc1cccc(N2C(=O)c3cc4ccccc4cc3C2=O)c1 59121 GFFQDQSBRSWHPF-UHFFFAOYSA-N 287.318 3.949 0 40 CHAB O=C(Nc1ccccc1F)c1ccc2ncsc2c1 105411 TXEXFNCTPFXNQL-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB COc1cccc(/N=c2/cc(C)[nH]c3ccccc23)c1 256324 LFTMKYWQWYEXEN-UHFFFAOYSA-N 264.328 3.717 0 40 CHAB CC(C)c1ccc(NC(=O)Cc2ccccc2)cc1 342778 OLSHDMVCBFJOPM-UHFFFAOYSA-N 253.345 3.991 0 40 CHAB CC[C@H](C)OC(=O)C[C@@H](c1ccccc1)N1CCCCC1 1569410 CQLCJFCUAHKNIE-RDJZCZTQSA-N 289.419 3.945 0 40 CHAB Cc1cc(=O)n(CC=C(Cl)Cl)c2ccccc12 3159015 DMPCYYZGBHNVTQ-UHFFFAOYSA-N 268.143 3.629 0 40 CHAB COc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 3334536 ZVLHNVLZKPKKKG-MRXNPFEDSA-N 281.355 3.503 0 40 CHAB O=C(O)CC[C@@H](C(=O)c1ccccc1)c1ccccc1 3844246 NTPZHUOJVKOUHC-OAHLLOKOSA-N 268.312 3.518 0 40 CHAB biogenic Cn1c(=S)n(-c2ccccc2)s/c1=N\c1ccccc1 3844413 QEYHNLZDXSCRKS-PEZBUJJGSA-N 299.424 3.839 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4026334 QADHLRWLCPCEKT-CYAHPCQSSA-N 290.447 3.671 0 40 CHAB biogenic Cc1ccc2[nH]c(C(=O)NC3CCCCC3)cc2c1 4696056 NQDVDVMXWIPZRM-UHFFFAOYSA-N 256.349 3.539 0 40 CHAB Cc1noc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1Cl 5007067 OOOALQBGZHYFSP-BONVTDFDSA-N 296.798 3.677 0 40 CHAB CC(=O)c1sc(Cc2nc3ccccc3s2)nc1C 7274978 KDGBFVUCSKHXCF-UHFFFAOYSA-N 288.397 3.855 0 40 CHAB Cc1ccnc(NC(=O)c2cc(Cl)nc3ccccc23)c1 8724714 NHMKLEVWVVDREC-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB CCSc1nc(Cl)cc(-c2ccccc2)n1 11770197 LBTUOHROLYROIM-UHFFFAOYSA-N 250.754 3.909 0 40 CHAB CCc1ccccc1NC(=O)c1cn(C)c2ccccc12 12595777 GLIGKEKWPAGZOP-UHFFFAOYSA-N 278.355 3.993 0 40 CHAB CCCSc1nc(/C=C/c2cccs2)n[nH]1 12947193 XHPSNRGMNNDOKI-AATRIKPKSA-N 251.380 3.539 0 40 CHAB CC(C)C(NC(=O)[C@H](C)Oc1ccccc1Cl)C(C)C 13709739 RRIUFASVCDHZFA-LBPRGKRZSA-N 297.826 3.904 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2cccnc2)cc1C 13744304 RAOROEYPIZGYBO-CYBMUJFWSA-N 269.348 3.581 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)Oc1ccccc1 14468058 ONTARFSCHGSJDW-UHFFFAOYSA-N 279.295 3.869 0 40 CHAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccccc2)cc1 20040536 JROKWYSHVSXBNG-GOSISDBHSA-N 297.398 3.895 0 40 CHAB CCCOc1ccc(C=O)c(OCc2csc(C)n2)c1 20284537 MJJGXLPVBAVHMY-UHFFFAOYSA-N 291.372 3.632 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc3c(c2)CCO3)[C@@H]1C 26068625 SPYHDNNZFCMOCO-XZDBHYTPSA-N 299.414 3.576 0 40 CHAB O=C(O)/C=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 26895879 IJPNDKFTPHEXAP-RMKNXTFCSA-N 293.322 3.845 0 40 CHAB FC(F)(F)c1cnn(-c2ccccc2)c1C(F)(F)F 30718786 UGUVELSCWTYGNX-UHFFFAOYSA-N 280.171 3.910 0 40 CHAB Clc1ncn(CCSc2ccccc2)c1Cl 31775826 AVZVUPYZMMKEJL-UHFFFAOYSA-N 273.188 3.982 0 40 CHAB CSc1ccc(C)c(C(=O)Nc2ncccc2C)c1 32906888 PDMDBGNXIONNCQ-UHFFFAOYSA-N 272.373 3.673 0 40 CHAB CCOC(=O)c1ccc(Nc2ccc(C)cc2C)c(N)c1 41081362 FHBQSOZFGLRKDV-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB CC[C@H](C)c1cc(Cl)ccc1O[C@@H]1CCNC1 42775437 URZNKYWYDYHNAF-CMPLNLGQSA-N 253.773 3.594 0 40 CHAB CCCCCC(=O)c1ccc(C2OCCO2)s1 43210331 GVDMATXMXJMFMF-UHFFFAOYSA-N 254.351 3.557 0 40 CHAB CCOC(=O)c1cccc(OCc2ccc(F)cc2)c1 43503558 NTDJEUKNQGPKAR-UHFFFAOYSA-N 274.291 3.581 0 40 CHAB CC(C)[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(F)cc1 43535028 SBBPLGRONUVPFY-ZDUSSCGKSA-N 294.761 3.661 0 40 CHAB CCc1ccc([C@H](C)NC(=O)NC2CCCCC2)cc1 48487191 OOCLAQLUTMHUOC-ZDUSSCGKSA-N 274.408 3.942 0 40 CHAB COC(=O)c1ccc(-c2cc(Cl)ccc2C)o1 49838189 NHMWFDVLIQQLQA-UHFFFAOYSA-N 250.681 3.695 0 40 CHAB CN(Cc1ccccc1)C(=O)CCSc1ccccc1 50123941 OOWQYMFMPYKNKQ-UHFFFAOYSA-N 285.412 3.827 0 40 CHAB O=C(O)c1cccc(F)c1Oc1ccc(Cl)cc1 54187892 XXUGHUCZWYIKOW-UHFFFAOYSA-N 266.655 3.970 0 40 CHAB Cc1ccc(C(=O)Nc2c(F)cccc2F)c(C)c1 57358922 CAOFLZQRELXFEO-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)[C@H]1CC=CCC1 69595442 NJQVQNQNQINEGI-ZDUSSCGKSA-N 299.349 3.521 0 40 CHAB Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cccnc1 69737264 RIGIVMCUCRJEGL-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CN1CCCC[C@H]1c1cccnc1NC1CCCCC1 72214033 IPXXQBCSVKDNDW-INIZCTEOSA-N 273.424 3.983 0 40 CHAB CCc1cc(N(C)C(CC)CC)nc(-c2ccncc2)n1 72307685 HRJBPXKIMWVXEQ-UHFFFAOYSA-N 284.407 3.726 0 40 CHAB Cc1occc1C(=O)NCc1cccc2ccccc12 79142977 VRFZBLONJNZHLG-UHFFFAOYSA-N 265.312 3.671 0 40 CHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnco1 82336931 OCISEINALMIUMX-UHFFFAOYSA-N 290.628 3.599 0 40 CHAB Brc1ccc2c3c(ccc2c1)OCCC3 85399416 CURPLLHMXOFZME-UHFFFAOYSA-N 263.134 3.927 0 40 CHAB Cc1cccc([C@@H](C)NCCCCn2ccnc2C)c1 95423170 KVFRQPVWYKCCJY-OAHLLOKOSA-N 271.408 3.631 0 40 CHAB CC(=O)Nc1cc(NCc2cccnc2C)ccc1Cl 95447297 FJLSJHRBZKVKQZ-UHFFFAOYSA-N 289.766 3.614 0 40 CHAB Clc1cccc(Cn2nc(Cl)c3ccccc32)n1 95462998 XXKZIQAJJXKQCG-UHFFFAOYSA-N 278.142 3.786 0 40 CHAB Cc1ccccc1[C@H](N[C@H](C)c1cnn(C)c1)C1CC1 95967941 BMLPANRPPYCKIC-CXAGYDPISA-N 269.392 3.530 0 40 CHAB CC[C@](CNC(=O)c1ccccc1C)(OC)c1ccccc1 96123685 ULNQCFQRLXDWJD-LJQANCHMSA-N 297.398 3.677 0 40 CHAB COc1cccc(C[S@](=O)CC2CCCCC2)c1 96403873 KRSJEWGJZQVOGN-SFHVURJKSA-N 266.406 3.524 0 40 CHAB CCCCc1noc([C@H](C)SCc2cc(C)no2)n1 96413052 CHMYIIJZJNBKGH-JTQLQIEISA-N 281.381 3.703 0 40 CHAB C[C@]12CCCC[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)CCC[C@@H]12 118935551 TUAKQCBZMOACQA-BHJYBLPNSA-N 292.463 3.751 0 40 CHAB O=C(c1ccccc1C(F)(F)F)N1[C@H]2C=CC[C@H]1CC2 208016114 VBLXRIJUIRCNSS-QWRGUYRKSA-N 281.277 3.639 0 40 CHAB O=C(Oc1ccc(CO)cc1)c1ccc(Cl)c(Cl)c1 216777300 FTMMRMBTJZJIID-UHFFFAOYSA-N 297.137 3.705 0 40 CHAB CCCN(CCCC(=O)O)c1ccc(C)c(Cl)c1 224993289 IUDLOILMGYSMMH-UHFFFAOYSA-N 269.772 3.730 0 40 CHAB Cc1ccc(CCCNC(=O)c2ccc(C)cc2C)cc1 225096931 SKEKTLHHRBIRIR-UHFFFAOYSA-N 281.399 3.974 0 40 CHAB O=Cc1cc2cc(F)c(Br)cc2s1 306948626 UFNQXSKTNJJUFZ-UHFFFAOYSA-N 259.099 3.615 0 40 CHAB Cc1nc2cc(C(=O)Nc3ccccc3)ccc2s1 408980358 VTOBZLTZOLNAHR-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB COc1cccc(Oc2ccccc2CN(C)C)c1 346790 VVEVTPYHBGQASR-UHFFFAOYSA-N 257.333 3.549 0 40 CHAB CCOc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1 422647 PMXFGLLTFRWEHE-UHFFFAOYSA-N 284.290 3.941 0 40 CHAB CC1=C(c2ccccc2)C(=O)N[C@H](c2ccccc2)C1 1277576 OYAPTRCPKHYDSF-INIZCTEOSA-N 263.340 3.721 0 40 CHAB CC[C@@H](C)[C@@H](C(=O)OCCN(CC)CC)c1ccccc1 1649107 LKQUJKDIEHGPLY-NVXWUHKLSA-N 291.435 3.701 0 40 CHAB CCCCCOc1ccc(C(=O)CCNC(C)C)cc1 1774351 KKWAGBUJGDVDBM-UHFFFAOYSA-N 277.408 3.826 0 40 CHAB biogenic CCNc1ncnc2sc(-c3ccccc3)cc12 2646777 CCBOJZOBIXOMKP-UHFFFAOYSA-N 255.346 3.790 0 40 CHAB COC(=O)c1cccc(NC(=O)C[C@H](C)c2ccccc2)c1 3292573 ITFLLZSPNHMFAC-ZDUSSCGKSA-N 297.354 3.606 0 40 CHAB CC(C)(C)C(=O)COC(=O)c1c(Cl)cccc1Cl 3323544 UXLTZWOUJGBPRP-UHFFFAOYSA-N 289.158 3.765 0 40 CHAB C[C@H]1CC[C@H]2[C@@H](C1)c1sc(=O)[nH]c1SC2(C)C 4112633 OQJMAILQCVBBBU-YIZRAAEISA-N 269.435 3.841 0 40 CHAB NCc1cccc(-c2cccc(C(F)(F)F)c2)c1 5763238 AVNTZEXLIDRINJ-UHFFFAOYSA-N 251.251 3.831 0 40 CHAB CC(C)N1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O 6306593 HYZTWYZHVACHOO-QPEQYQDCSA-N 286.356 3.613 0 40 CHAB CCOc1ccc(Oc2ccc(NC(C)=O)cc2)cc1 6982083 AZOAHZPFGXNJDR-UHFFFAOYSA-N 271.316 3.836 0 40 CHAB CN(C)CCCNCc1ccc(-c2cccc(Cl)c2)o1 8373882 JGHLYTCFFWEFIZ-UHFFFAOYSA-N 292.810 3.641 0 40 CHAB COc1ccc(C(=O)NC2CCCCCCC2)cc1C 9140114 RMVLQUGZKODEPG-UHFFFAOYSA-N 275.392 3.846 0 40 CHAB CCCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 9166109 RGWBMDGHTWVOPK-UHFFFAOYSA-N 296.783 3.788 0 40 CHAB Cc1nn(-c2ccc(Cl)cc2)c(O)c1CC(C)C 9937253 RKSLERPUKGWLKY-UHFFFAOYSA-N 264.756 3.738 0 40 CHAB COc1ccccc1NC(=O)CCc1ccccc1Cl 10457816 NUAOKBXCVAPPBJ-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB CCCNC(=O)c1ccccc1CCc1ccccc1 13688336 YXSVALJTNPUVRA-UHFFFAOYSA-N 267.372 3.612 0 40 CHAB COc1ccc(-c2cn3cccc(C)c3n2)cc1Cl 16741634 CTXXKPDXWVCUJY-UHFFFAOYSA-N 272.735 3.972 0 40 CHAB COc1ccc(C(=O)N(C)c2ccccc2)cc1Cl 16751352 GRMYEEXBEJKCJB-UHFFFAOYSA-N 275.735 3.625 0 40 CHAB Cc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 17064529 GADDYVRSLHIUTM-UHFFFAOYSA-N 293.288 3.944 0 40 CHAB Cc1ccc(OCCCCCN2CCOCC2)c(Cl)c1 19815140 CSBCZTFCHKVEHH-UHFFFAOYSA-N 297.826 3.530 0 40 CHAB CCc1ccccc1NCc1ccc(OC)c(OC)c1 19956316 UOKJYPMUAMNXDU-UHFFFAOYSA-N 271.360 3.878 0 40 CHAB CN(C(=O)CCSc1ccccc1)C1CCCC1 20456062 IVAPUEMOXGRKGI-UHFFFAOYSA-N 263.406 3.570 0 40 CHAB O=C1C[C@H](c2ccccc2)Cc2[nH]c(-c3ccccc3)nc21 20674263 YSRDWXJJLXBGRB-OAHLLOKOSA-N 288.350 3.989 0 40 CHAB Cc1nc2cc(NC(=O)Cc3ccccc3C)ccc2o1 24014072 SJZCEIDSFOMMQT-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccn2)cc1 24581174 CEYTXUIJULIZIC-LBPRGKRZSA-N 272.373 3.509 0 40 CHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(F)cc1F 24895021 OYIKXPCHZSRBKI-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB Cc1ccc(NC(=O)c2ccc(-c3nc(C)no3)cc2)cc1 25237270 PDZSOERXBGPEHP-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CCCc1cc(C(=O)N[C@H](C)c2ccccn2)sc1C 28780270 RXKXNMLAXYKPGQ-LLVKDONJSA-N 288.416 3.895 0 40 CHAB CC[C@@H](C(=O)Nc1ccc(CN(C)C)cc1)c1ccccc1 29951974 VVOHFVZEJRCXRL-GOSISDBHSA-N 296.414 3.881 0 40 CHAB CC(C)C[C@@H](C)N(C)C(=O)Cc1c[nH]c2ccccc12 30427911 MPOMSLFWJYWQGQ-CYBMUJFWSA-N 272.392 3.603 0 40 CHAB CN(Cc1ccccc1)C[C@@H](O)c1cccc(Cl)c1 31912050 GPPOVAQIFWICMY-MRXNPFEDSA-N 275.779 3.505 0 40 CHAB COc1cccc(OCc2cc(=O)oc3ccc(C)cc23)c1 34111702 SGBRQUKUXPLWCE-UHFFFAOYSA-N 296.322 3.689 0 40 CHAB COc1ccc(F)cc1[C@@H](C)NCc1ccc(C)o1 37089778 MPLIJCNHMTXYPZ-LLVKDONJSA-N 263.312 3.587 0 40 CHAB O[C@@H](Cc1ccccc1)c1ccc(Br)cc1 37464408 JYLIIPKJJWWRMG-AWEZNQCLSA-N 277.161 3.725 0 40 CHAB COc1cccc(C(=O)c2cc(Cl)cc(Cl)c2)n1 45028764 LMQOVLSKXLKJJS-UHFFFAOYSA-N 282.126 3.628 0 40 CHAB CCc1cccc(NC(=O)N(C)Cc2csc(C)n2)c1 49414245 VTYPRPMUFKJBQM-UHFFFAOYSA-N 289.404 3.678 0 40 CHAB O=C(CCCOc1ccccc1)NCCC1=CCCCC1 57287811 DRPCYONXTPMJMQ-UHFFFAOYSA-N 287.403 3.852 0 40 CHAB C[C@H](Cc1ccsc1)Nc1nccc(C(F)(F)F)n1 60451948 UUMGCDAMNOEKIP-MRVPVSSYSA-N 287.310 3.600 0 40 CHAB CC(C)c1cc(C(=O)O)c2c(Cc3ccccc3)noc2n1 62710662 YHRMGBFHNCJUEF-UHFFFAOYSA-N 296.326 3.635 0 40 CHAB CC(C)N(C(=O)c1ccncc1)c1ccc(Cl)cc1 69558043 IHGGWAHESYHVMP-UHFFFAOYSA-N 274.751 3.790 0 40 CHAB CNC(=O)c1ccc(CN[C@H](c2ccccc2)C(C)C)cc1 74230029 NMLIOAFOYQHIOH-SFHVURJKSA-N 296.414 3.533 0 40 CHAB Cc1cc([C@H](C)NC(=O)N(C)[C@H](C)C2CC2)c(C)s1 84081826 XGKXEZOEELQYMO-WDEREUQCSA-N 280.437 3.866 0 40 CHAB Cc1noc(C)c1NC(=O)Cc1ccc2ccccc2c1 89532503 SIYJHEBBMMBPMN-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB Cc1ccc(OCCCn2c(Cl)cccc2=O)cc1C 95412833 HLUZNPWKZBRRNG-UHFFFAOYSA-N 291.778 3.588 0 40 CHAB FC(F)(F)c1nccc(Br)c1Cl 95761942 IJIXBFNPZJCNET-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB C[C@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918478 FCOKAVPKKDPGKU-SECBINFHSA-N 293.310 3.554 0 40 CHAB Cc1c(-c2ccccc2)[nH]c2ccc(F)cc2c1=O 128807530 QYNGRXOLLDISGS-UHFFFAOYSA-N 253.276 3.643 0 40 CHAB CC[C@@H](C(=O)O)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223197806 BBALXHGTEGPXIW-JSGCOSHPSA-N 275.392 3.950 0 40 CHAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnco1 224060298 BBUUYJKAYCCFAB-UHFFFAOYSA-N 294.310 3.506 0 40 CHAB Cc1ccc(Nc2ccc(N)cc2C(=O)OC(C)C)cc1 225463444 BIMYXBPRIJWWGG-UHFFFAOYSA-N 284.359 3.886 0 40 CHAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1C 225603602 RZAODPAMSXKZFP-KRWDZBQOSA-N 293.407 3.928 0 40 CHAB C[C@](N)(Cc1cccc(Br)c1)c1ccccc1 11568 HAUFLNPHNKNKRR-HNNXBMFYSA-N 290.204 3.866 0 40 CHAB in-vitro COc1cccc(OC)c1C(=O)NC(C)(C)CC(C)(C)C 74962 JDKKETUMMFOHQQ-UHFFFAOYSA-N 293.407 3.648 0 40 CHAB CC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccc(OC)cc1 88212 KACYNOZRMDSDJD-SFHVURJKSA-N 296.370 3.894 0 40 CHAB COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 105428 RJNWSUQYHYIZAF-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB Oc1ccc(SC(F)(F)[C@H](F)C(F)(F)F)c(O)c1 549582 SSJAJMAXKCAXDM-SSDOTTSWSA-N 292.200 3.683 0 40 CHAB Oc1ccc(CC[C@@H]2CC[C@@H](c3ccc(O)cc3)CO2)cc1 1581511 CZAHCAZTHZRDDI-VQIMIIECSA-N 298.382 3.993 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)NCC1CCCCC1 3452215 KLISUBJOIVHGGW-UHFFFAOYSA-N 298.386 3.960 0 40 CHAB CCc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 3524334 REQACDBEKWYUNV-AWEZNQCLSA-N 283.371 3.963 0 40 CHAB Cc1cccc(NCc2cc3cc(C)ccc3[nH]c2=O)c1 5026621 VJQPMKPCDUMXJK-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB Cc1ccc2c(CN3C[C@@H](C)C[C@@H](C)C3)cc(=O)oc2c1 5163216 GYQYYSLJMFFRTC-OKILXGFUSA-N 285.387 3.579 0 40 CHAB biogenic C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 5573361 JYXPYOQFTKIXPK-JTQLQIEISA-N 293.725 3.885 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(F)c(Cl)c1 5616698 PTSGXPUQBJHPLU-HZMBPMFUSA-N 299.773 3.553 0 40 CHAB COc1ccccc1C(=O)Nc1ccc(OC(C)C)cc1 5644355 BRKCAZZTBLXRCF-UHFFFAOYSA-N 285.343 3.735 0 40 CHAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccco2)cs1 5770275 PCBTVQLFMGHLDL-AATRIKPKSA-N 286.312 3.648 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1ccc(OC)cc1OC 6042939 VSMSFFIVEXYRSZ-CYBMUJFWSA-N 293.407 3.650 0 40 CHAB Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 7651871 KRRMOSDOVCIHCC-UHFFFAOYSA-N 257.358 3.798 0 40 CHAB Cc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 7651881 WGJAWWSIMBURNI-UHFFFAOYSA-N 251.329 3.665 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)sc2C)cc1 8339198 ZELRXYVFBVJNAA-UHFFFAOYSA-N 288.372 3.576 0 40 CHAB Cc1ccccc1NC(=S)N(C)Cc1cccs1 8580257 SADVYGSMGZQIPI-UHFFFAOYSA-N 276.430 3.885 0 40 CHAB COc1cccc2cc(C(=O)Nc3ccc(F)cc3)oc12 8960619 SMRRDQVWKOJZKI-UHFFFAOYSA-N 285.274 3.833 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)CCC2CCCCC2)C1 12559107 RKACWDWWQYEARA-OKILXGFUSA-N 251.414 3.851 0 40 CHAB CON(C)C(=O)c1cc(-c2cccs2)nc2ccccc12 12623101 QWMFWXUTBQCXQL-UHFFFAOYSA-N 298.367 3.597 0 40 CHAB CC(=O)Nc1ccc(NC(=O)CCC(C)C)cc1Cl 12784641 OFVOCFLQUXGRKU-UHFFFAOYSA-N 282.771 3.673 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1 14022321 URLOQUDLQKWIFZ-INIZCTEOSA-N 269.344 3.791 0 40 CHAB Fc1ccc(CSC2=N[C@H]3CCCC[C@@H]3N2)c(Cl)c1 14196669 MZLCWNMQPLWQFP-STQMWFEESA-N 298.814 3.983 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1cccc2cccnc12 14516676 ZRGIDJSQHPMHQQ-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCCCCCC2)c1 14915726 AVDFAGFWISEQEH-MRXNPFEDSA-N 288.435 3.897 0 40 CHAB COc1cc2ccccc2cc1C(=O)OCc1cccnc1 15006551 CRTRRJOMLGRVTC-UHFFFAOYSA-N 293.322 3.600 0 40 CHAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccccc1 16503551 QCVNUTLMBREDQH-UHFFFAOYSA-N 287.746 3.942 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc(N)ccc2C)c1 19736094 GQUABEFLDZWDTQ-CQSZACIVSA-N 298.386 3.600 0 40 CHAB CCCCCNC(=O)[C@H](CC)Oc1cccc(Cl)c1 20456504 NDXYWHNQFIDLCR-AWEZNQCLSA-N 283.799 3.804 0 40 CHAB Fc1ccc(-n2nc(-c3ccccc3)nc2Cl)cc1 22125400 WKBBCGUQWWPQAS-UHFFFAOYSA-N 273.698 3.727 0 40 CHAB Cc1cccc(N[C@H](C)C(=O)NC2CCCCCC2)c1C 28744288 JQRHGVRQAKKTOD-OAHLLOKOSA-N 288.435 3.943 0 40 CHAB COc1ccccc1C(=O)c1cc(Cl)ccc1OC 34237023 KCPXAKZLAKHEFA-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB c1ccc2c(c1)CC[C@H](Nc1ccc3[nH]ncc3c1)C2 37284036 QEWXNJBWIDIXFP-HNNXBMFYSA-N 263.344 3.532 0 40 CHAB COc1ccc([C@@H](O)c2ccccc2Br)cc1 39206765 WSGPNOCUUSZBHY-CQSZACIVSA-N 293.160 3.539 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1ccc(F)cc1Cl 53777057 YOKCILBKZAMBFO-HNNXBMFYSA-N 289.737 3.896 0 40 CHAB Cc1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)O 58019773 YPFOKCQNCWRZHY-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB O=C(Nc1ccc(Cl)cn1)[C@@H]1C[C@@H]1c1ccc(F)cc1 67184027 OKFNABZRBMKEPQ-CHWSQXEVSA-N 290.725 3.616 0 40 CHAB COc1ccccc1-c1c[nH]cc1C(=O)N1CCC[C@H](C)C1 69569942 OJNDZGVBXBFFRL-ZDUSSCGKSA-N 298.386 3.562 0 40 CHAB C[C@H](Cc1cccs1)Nc1ncnc2sccc12 70140886 CXFFKXDQDOQNSE-SECBINFHSA-N 275.402 3.796 0 40 CHAB Cc1nc2ccc(NC(=O)Nc3ccccc3)cc2nc1C 71317824 NZSVALNFWADSEN-UHFFFAOYSA-N 292.342 3.891 0 40 CHAB CN(c1ccccc1)c1ccc([C@@H]2CCCN2C)cn1 72214184 NZTASPBDOPFPFL-INIZCTEOSA-N 267.376 3.616 0 40 CHAB CN1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214332 XAXNSOLNWQQLST-ZDUSSCGKSA-N 291.395 3.585 0 40 CHAB O=C(NCc1cccc(F)c1)c1ccc(-c2ccco2)o1 72243269 HXALDNKZFIINGS-UHFFFAOYSA-N 285.274 3.609 0 40 CHAB Cc1c(N=O)cc(C(C)C)c(O)c1Br 78549968 NJECZOBXMPNODJ-UHFFFAOYSA-N 258.115 3.984 0 40 CHAB CC[C@H]1CC[C@@H](C)N1C(=O)CSc1ccccc1 95458852 PAVMLDKTNJEGCU-OLZOCXBDSA-N 263.406 3.568 0 40 CHAB O=C(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 95916661 SDLKWEYCWAMKAC-UHFFFAOYSA-N 295.121 3.953 0 40 CHAB CCn1c(C)nnc1SCc1ccc(OC)cc1Cl 96427046 XZZKDCGLIXBCAK-UHFFFAOYSA-N 297.811 3.561 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100631105 HLLMKAGHNZRMKS-KQTLUZQSSA-N 289.444 3.780 0 40 CHAB C[C@H](NC(=O)Nc1ccc(F)cc1F)[C@@H]1C[C@@H]2CC[C@@H]1C2 100795648 ZKRCVTUYFNGYLD-WGBDABJCSA-N 294.345 3.911 0 40 CHAB O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(C(F)(F)F)c1 100977595 HAIIAJAXYIKTDK-WZRBSPASSA-N 297.320 3.871 0 40 CHAB C/N=c1\oc(-c2ccc(Cl)cc2)nc2ccsc12 101647262 VPVGASJUCQZINO-SQFISAMPSA-N 276.748 3.740 0 40 CHAB CC(C)C(=O)c1cccc(OC(F)(F)C(F)F)c1 575243034 UPNCNTHMHYJPSK-UHFFFAOYSA-N 264.218 3.762 0 40 CHAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccoc1 575618687 AZZAJUYVSWJIKY-LLVKDONJSA-N 285.368 3.855 0 40 CHAB O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccccc1 179936 JAOJXAPKRUBUGQ-HNNXBMFYSA-N 273.332 3.604 0 40 CHAB CC(=O)Nc1ccc(-c2cc3ccccn3c2)cc1 211884 AIHHKQILEUFZBX-UHFFFAOYSA-N 250.301 3.565 0 40 CHAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C(C)C 342197 ILHCCTJQUVVPBC-LLVKDONJSA-N 278.421 3.669 0 40 CHAB O=C(Nc1ccc(Br)cc1F)c1ccccc1 383513 XRFXQWRKLOSMNF-UHFFFAOYSA-N 294.123 3.841 0 40 CHAB c1ccc(-c2cn3ccccc3[n+]2-c2ccccc2)cc1 396031 KDPUIFDPQYPQRK-UHFFFAOYSA-N 271.343 3.883 0 40 CHAB Fc1cccc(F)c1NC(=S)Nc1ccccc1 562733 JBSKPMLIBLFFDA-UHFFFAOYSA-N 264.300 3.774 0 40 CHAB CCCCCNC(=O)C1(c2ccccc2)CCCC1 2512737 LGBBHARLOWSUOY-UHFFFAOYSA-N 259.393 3.805 0 40 CHAB CCCCCOc1ccc(C(=O)CCC(=O)OCC)cc1 2566669 FTIKLJDVXATLRL-UHFFFAOYSA-N 292.375 3.782 0 40 CHAB Cc1ccc(S(=O)(=O)Oc2ccccc2Cl)cc1C 2697011 IGZLYGMGLVPENB-UHFFFAOYSA-N 296.775 3.725 0 40 CHAB Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3184724 QGTCNXNNPZMXFF-UHFFFAOYSA-N 280.249 3.540 0 40 CHAB Cc1cc(C)nc(Nc2nc(-c3ccccc3)cs2)n1 3237231 MEYHVGRXGIMJNL-UHFFFAOYSA-N 282.372 3.961 0 40 CHAB COc1ccccc1NC(=O)c1ccc(OC(F)F)cc1 3481732 PESLHIDEOAOHKL-UHFFFAOYSA-N 293.269 3.549 0 40 CHAB Fc1ccc(CO[C@H]2CCOc3ccccc32)cc1 4107016 XQAHRPDGNVJSON-INIZCTEOSA-N 258.292 3.866 0 40 CHAB Clc1cccc(OCCCN2CCCC2)c1Cl 4472853 GNUQRBYVCIMPBV-UHFFFAOYSA-N 274.191 3.858 0 40 CHAB CNc1ccccc1C(=O)NC1CCCCCCC1 6228584 NVZBIYPEWYBIGE-UHFFFAOYSA-N 260.381 3.571 0 40 CHAB CN(C(=O)c1ccc2ccccc2c1)c1ccccn1 6784498 QPXVHNXAEPTMLV-UHFFFAOYSA-N 262.312 3.511 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2OC(F)F)s1 9315063 JEQYNXMBHBJKOA-UHFFFAOYSA-N 283.299 3.910 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)OC1CCCCC1 10405963 IIEBENBUPUKJQS-UHFFFAOYSA-N 257.333 3.586 0 40 CHAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(F)cc1 11201703 DNHPAPSGUQTOII-MRXNPFEDSA-N 269.319 3.707 0 40 CHAB CCCCC[C@H](C)NC(=O)c1cn2cc(Cl)ccc2n1 12323712 OXZRFYKPLSSUPK-NSHDSACASA-N 293.798 3.686 0 40 CHAB CC(=O)Nc1cccc(C(=O)Nc2c(C)cccc2C)c1 15992695 YIZRMBBLHTYHDA-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(N)c1C 19736305 PUXOJBGJSUVLTR-QGZVFWFLSA-N 298.386 3.682 0 40 CHAB O=C(Nc1cccc2c1CCCC2)c1cccc(O)c1 19838314 RDTSIDDPBLKMSY-UHFFFAOYSA-N 267.328 3.523 0 40 CHAB CC(C)(C)c1ccccc1NC(=O)Cc1cccc(N)c1 20186078 CXTTYWDXCUXNQH-UHFFFAOYSA-N 282.387 3.748 0 40 CHAB CSCc1ccc(C(=O)Nc2ccc(C)cn2)cc1 21877166 GRGJUAFRTQMOAJ-UHFFFAOYSA-N 272.373 3.505 0 40 CHAB O=C(NCC1(c2cccs2)CC1)Oc1ccccc1 22679966 LHCAXWWPHRLXHS-UHFFFAOYSA-N 273.357 3.568 0 40 CHAB Cc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cn1 22697874 HPZOPLCPQDRNRV-CYBMUJFWSA-N 298.411 3.921 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(C2CC2)cs1 25560120 NYHMUXMUVDKSOI-UHFFFAOYSA-N 297.383 3.683 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CCCCCCC1 35133185 YHZBBBZQHRSKIF-UHFFFAOYSA-N 256.349 3.574 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OCc1ccccc1 36393885 BGNJFFDMGYHCJT-HOTGVXAUSA-N 297.398 3.778 0 40 CHAB c1ccc(CN2CCC[C@H](NC3CCCCCC3)C2)cc1 36904544 DBGGASDASAGILN-IBGZPJMESA-N 286.463 3.963 0 40 CHAB CC(C)(C)OC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 39409895 SLDDOBPIIRVZPF-IONNQARKSA-N 265.180 3.919 0 40 CHAB OC[C@H]1CCCCN1Cc1sc2ccccc2c1Cl 40081920 UPMYEADFCAYWPC-LLVKDONJSA-N 295.835 3.902 0 40 CHAB Cc1cc(N(C)C2CCCCC2)nc(-c2ccncc2)n1 48355258 FCPRWWVJLQUKIT-UHFFFAOYSA-N 282.391 3.616 0 40 CHAB CCc1nc(C)c(C(=O)NC(C)(C)c2ccccc2)s1 50354438 KIHXLGCAKCNCSB-UHFFFAOYSA-N 288.416 3.679 0 40 CHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC(C)(C)C)c1 52413775 AXUOLHGTDCYWOD-CYBMUJFWSA-N 277.408 3.800 0 40 CHAB CCC[C@H]1CCCN(C(=O)c2c[nH]c3ncccc23)CC1 71846696 PDFRLKHCNIYXJX-ZDUSSCGKSA-N 285.391 3.605 0 40 CHAB CCCN1CCC[C@H]1c1cnc(N2CCCC2)c(C)c1 72218802 MZCXUCMLZYRULS-INIZCTEOSA-N 273.424 3.537 0 40 CHAB C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C1CCCC1 75107413 BAKJQOJZUFJJLZ-CZUORRHYSA-N 257.377 3.581 0 40 CHAB COc1cccc(C(=O)OC2CCCCCC2)c1OC 83975909 SPSHWDMJMBHDLA-UHFFFAOYSA-N 278.348 3.583 0 40 CHAB C[C@@H](Cc1ccoc1)NC(=O)c1cccc(C(F)(F)F)c1 84828102 PRZAGVYWBUFKQW-JTQLQIEISA-N 297.276 3.659 0 40 CHAB Fc1ccc2nc(Cl)c(Br)cc2c1 95098159 WBUQPETVSXTCMO-UHFFFAOYSA-N 260.493 3.790 0 40 CHAB O=C(Nc1c(F)cccc1NC1CC1)c1ccc(Cl)o1 95413008 JDTGVWGNCSLUIG-UHFFFAOYSA-N 294.713 3.899 0 40 CHAB Cc1ccc(SCCN[C@H](C)c2cnccn2)cc1C 95419247 WYWZGLBRUVPOJK-CQSZACIVSA-N 287.432 3.536 0 40 CHAB Cc1cc(CN[C@@H](C)c2cccc(OC(C)C)c2)no1 97033089 DJIIJUWLPRABBC-ZDUSSCGKSA-N 274.364 3.621 0 40 CHAB C[C@@]1(CO)CCCN1Cc1cc(-c2ccccc2)cs1 97105387 RBJIXVSCCKJLCU-KRWDZBQOSA-N 287.428 3.762 0 40 CHAB CC(C)C(NC(=S)Nc1ccccc1)C(C)C 113934925 SEVAZUHIALXHNQ-UHFFFAOYSA-N 250.411 3.654 0 40 CHAB O=C(Nc1ccn2nccc2c1)c1cccc2ccccc12 217954080 GLTUOTBJWNETFA-UHFFFAOYSA-N 287.322 3.740 0 40 CHAB CC(C)(C)C(=O)NCCOc1ccccc1C(C)(C)C 223734388 YWAINWSDJLYFFW-UHFFFAOYSA-N 277.408 3.525 0 40 CHAB CCc1cc(N)cc(Cl)c1N1CCC[C@H](C)C1 226315460 GACBSWGKCJXQSX-JTQLQIEISA-N 252.789 3.721 0 40 CHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260755935 CKRIKJQXXKZMFY-BYCMXARLSA-N 299.399 3.572 0 40 CHAB O=C(NCc1ccc(-c2ccco2)o1)[C@H]1CC=CCC1 575607309 ZMUOZAZHTSDMCG-LBPRGKRZSA-N 271.316 3.512 0 40 CHAB CSC(=S)Nc1ccc(Br)cc1 135312 PDHYVPIEZSMJRO-UHFFFAOYSA-N 262.197 3.509 0 40 CHAB biogenic Cc1cc(OC(=O)c2cccs2)ccc1Cl 477391 VGEWCDKSUQMKKF-UHFFFAOYSA-N 252.722 3.929 0 40 CHAB Nc1cc(-c2cc3ccccc3oc2=O)ccc1Cl 570085 IWGUZNOTGGVKIG-UHFFFAOYSA-N 271.703 3.696 0 40 CHAB Cc1nn2c(C(F)F)cc(-c3ccco3)nc2c1Cl 2787158 XIYXRYDNAGKACT-UHFFFAOYSA-N 283.665 3.889 0 40 CHAB Cc1ccc(CNC(=O)/C=C/c2cccc(Cl)c2)cc1 3275132 POVDUMVYYGQFQG-MDZDMXLPSA-N 285.774 3.978 0 40 CHAB CCOC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 3290363 WZOKFQYSGIEYRS-UHFFFAOYSA-N 298.367 3.778 0 40 CHAB CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)O)CC2 4222620 HRQSFRCAQXGIMJ-GXTWGEPZSA-N 290.403 3.918 0 40 CHAB biogenic,in-vitro C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5211891 RSIHSRDYCUFFLA-UGCZWRCOSA-N 286.415 3.655 0 40 CHAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CCCCC1 6556218 XLZBKUTZTMHYJM-CQSZACIVSA-N 282.387 3.653 0 40 CHAB Cc1cc(F)ccc1NC(=O)c1ccc2ccccc2n1 6851943 RSXCFQBAIFGJDC-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB c1ccc2oc(CSc3ccc4c(c3)OCCO4)nc2c1 7778698 YHNKIIXZDAWNEZ-UHFFFAOYSA-N 299.351 3.891 0 40 CHAB COCc1c(C(=O)Nc2ccccc2)oc2ccccc12 9544570 HMHOLNFDOSKVIZ-UHFFFAOYSA-N 281.311 3.832 0 40 CHAB O=C(O)c1ccnc(Oc2cccc(C(F)(F)F)c2)c1 12428856 JPTGLLITTQGEJU-UHFFFAOYSA-N 283.205 3.591 0 40 CHAB O=C(CCc1ccccc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 12986256 GKRFHUNHBSUFEH-ZIAGYGMSSA-N 299.336 3.857 0 40 CHAB CCOC(=O)[C@H]1Nc2ccc(Cl)cc2[C@H]2CCC[C@H]12 16957835 XDXFRRBUKGOJKG-MJVIPROJSA-N 279.767 3.581 0 40 CHAB CCN(Cc1ccccc1)C(=O)Nc1ccccc1OC 18175083 YIVGRUKAHWKQDP-UHFFFAOYSA-N 284.359 3.749 0 40 CHAB C[C@@H]1CCCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C1 19496566 VDPLXOGYOJQZNK-CJNGLKHVSA-N 299.418 3.646 0 40 CHAB FC(F)(F)c1cccc(CNc2cccnc2)c1 19884127 OEUUOEIACKZOTK-UHFFFAOYSA-N 252.239 3.713 0 40 CHAB CCOc1ccc(CNc2ccc(OC)cc2)cc1OC 20092839 NRUJNXACWDZIMT-UHFFFAOYSA-N 287.359 3.715 0 40 CHAB Clc1nccnc1N1CCC(Cc2ccccc2)CC1 21658322 ZNQDRXBSMZTVMK-UHFFFAOYSA-N 287.794 3.589 0 40 CHAB FC(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 26420510 HVQDTPPEBOALHZ-UHFFFAOYSA-N 258.630 3.816 0 40 CHAB CCc1ccc(CNC(=O)c2ccc3cc[nH]c3c2)s1 40106766 LWESPNFWMYCRNZ-UHFFFAOYSA-N 284.384 3.722 0 40 CHAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(F)cc2)cc1 42653953 SFCQYLWPOCPKMD-ZHACJKMWSA-N 291.347 3.547 0 40 CHAB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1cccc(Cl)c1 43879386 VUDOUWMBJSNIEY-GXFFZTMASA-N 280.751 3.804 0 40 CHAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCc2ccccc21 44845355 FGAFQXCXVJVOIN-OAHLLOKOSA-N 270.307 3.635 0 40 CHAB O=C(NCCSC1CCCC1)c1cccc(Cl)c1 46450202 NRVHGYFZKSAKTO-UHFFFAOYSA-N 283.824 3.746 0 40 CHAB C[C@H]1c2cccn2CCN1Cc1ncc(-c2ccccc2)o1 48364100 DDPZSYDKFLRFIM-AWEZNQCLSA-N 293.370 3.720 0 40 CHAB CC1(C)C=CN(c2ccccc2Cl)C(S)=N1 54957131 LATJDGWAOSDTAB-UHFFFAOYSA-N 252.770 3.738 0 40 CHAB CCOC(=O)c1nc(-c2ccccc2C(F)(F)F)[nH]c1C 61627405 FPKQRPKERSHBMQ-UHFFFAOYSA-N 298.264 3.581 0 40 CHAB Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccccc1 65875167 LTDGENQEFCVUCW-DBTPVHCXSA-N 295.382 3.592 0 40 CHAB Cc1cccc2nc(C(=O)OC3CCCCCCC3)cn12 72237819 OIIYLDPVGYIINS-UHFFFAOYSA-N 286.375 3.912 0 40 CHAB Cc1ccc(C)c(N(Cc2oc(=O)oc2C)C(C)C)c1 72312085 SUYFBCLDWBYZON-UHFFFAOYSA-N 275.348 3.573 0 40 CHAB COc1cccc2c(Nc3ccc(C(=O)O)cc3)ccnc12 78401497 PJRAIQNUNWDFQI-UHFFFAOYSA-N 294.310 3.685 0 40 CHAB Cc1nc(C(=O)Nc2cccc3c2ccn3C)c(C)s1 79490918 XVRKBMNULQEZAB-UHFFFAOYSA-N 285.372 3.504 0 40 CHAB Cc1ccc(-c2noc(-c3ccc(N)cc3)n2)cc1C 89262403 WZPLNSVPIXMQOM-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB CC(C)(C)c1ccc(NC(=O)/C=C/c2cncc(O)c2)cc1 95456750 QMSCZWZPECFESM-RUDMXATFSA-N 296.370 3.737 0 40 CHAB CC(C)[C@@H](C)[S@](=O)Cc1ncc(Cl)cc1Cl 97148237 RTQCOHWWEMIGQO-BCTVWOGZSA-N 280.220 3.682 0 40 CHAB C[C@@]1(CN2CCCCC2)OCc2ccccc2-n2cccc21 98174884 UFDDQJVAUAWCHY-IBGZPJMESA-N 296.414 3.709 0 40 CHAB CCN(CC)C(=O)Sc1cccc2cccnc12 188133 FVKDPEMETBULSK-UHFFFAOYSA-N 260.362 3.789 0 40 CHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)C 281538 LMNXFXBYXBVQAH-SECBINFHSA-N 271.813 3.735 0 40 CHAB O=C(COc1cccc2ccccc12)NC1CCCCC1 362409 UZXVCXVQARBYIQ-UHFFFAOYSA-N 283.371 3.668 0 40 CHAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 521065 XYKLSOOUVLSMMB-OAHLLOKOSA-N 282.343 3.676 0 40 CHAB Cc1cccc(CSc2nnc(-c3ccco3)o2)c1 1387094 TZKSESZBBYDRFY-UHFFFAOYSA-N 272.329 3.930 0 40 CHAB Fc1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1405980 OUCYQOBXNHFJOF-UHFFFAOYSA-N 256.202 3.983 0 40 CHAB COC(=O)CCN1c2ccccc2Sc2ccccc21 1625700 VCRSYEXMIHNELG-UHFFFAOYSA-N 285.368 3.852 0 40 CHAB Cc1ccc(C)c(S(=O)(=O)c2cc(C)ccc2C)c1 1688180 LVRGWIOEAZMJCV-UHFFFAOYSA-N 274.385 3.753 0 40 CHAB CCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC 2168744 YFWAXWYCHZLBET-SECBINFHSA-N 255.745 3.723 0 40 CHAB CCOC(=O)c1ccccc1C(=O)CCc1ccccc1C 2516368 QXQNZEPXBBJGJC-UHFFFAOYSA-N 296.366 3.987 0 40 CHAB C[C@]12CC[C@@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 4027498 WMEBIWWUBWHAOJ-MQJSTHQHSA-N 291.479 3.717 0 40 CHAB biogenic O=C1NC(=O)/C(=C\c2ccc(Oc3ccccc3)cc2)S1 5604120 YDMLRGYVPHSVSL-GXDHUFHOSA-N 297.335 3.803 0 40 CHAB FC(F)(F)c1cc(-c2cccs2)nc(S)n1 6251593 JOJJMOKPOZTFKX-UHFFFAOYSA-N 262.281 3.513 0 40 CHAB CN[C@H](Cc1ccc(C)cc1)c1ccc(OC)cc1 6522522 HHUWZLMTGJHFSK-QGZVFWFLSA-N 255.361 3.507 0 40 CHAB CCSc1nnc(NC(=O)c2ccc(C)cc2C)s1 7264379 OVGWUDFLYISRRM-UHFFFAOYSA-N 293.417 3.519 0 40 CHAB Cc1cc(C)cc(OCC(=O)NC2CCCCCCC2)c1 7776974 QTJAXMHLOZIBHB-UHFFFAOYSA-N 289.419 3.911 0 40 CHAB CC[C@H](NC(=O)COc1ccccc1C)c1ccc(C)cc1 7792544 XUXPGRAFBWGXQR-KRWDZBQOSA-N 297.398 3.950 0 40 CHAB c1ccc(OCCN2CCCC[C@@H]2c2cccnc2)cc1 8739706 JZGHBBVINUYCBY-GOSISDBHSA-N 282.387 3.688 0 40 CHAB biogenic CC(C)CC(=O)N1CCC(c2nc3ccccc3o2)CC1 9314351 WALUEULBVUDERU-UHFFFAOYSA-N 286.375 3.580 0 40 CHAB CC(C)(C)SCCNC(=O)Cc1ccc(Cl)cc1 10331075 XJHNXNWOHVCATP-UHFFFAOYSA-N 285.840 3.530 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccsc1 10540967 XSZDBPJXOHYOQA-UHFFFAOYSA-N 297.383 3.803 0 40 CHAB COc1ccc(-c2oncc2-c2ccccc2)c(O)c1 11865150 SCTPSQZXBZIJKV-UHFFFAOYSA-N 267.284 3.723 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1Cl 12736095 RDENRJDWWKBIGW-UHFFFAOYSA-N 288.734 3.551 0 40 CHAB O=C(NC[C@H]1CCCc2ccccc21)[C@H]1CC=CCC1 13004366 VXDYCRLRCQKWDF-JKSUJKDBSA-N 269.388 3.579 0 40 CHAB CC1CCC(NC(=O)C2(c3ccc(F)cc3)CCC2)CC1 13006808 QOIVSDOCNIYZJA-UHFFFAOYSA-N 289.394 3.942 0 40 CHAB Cc1nc(/C=C/c2ccccc2)[nH]c(=O)c1-c1ccccc1 13122469 CEENWMACEMUHQH-OUKQBFOZSA-N 288.350 3.916 0 40 CHAB CCCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708519 NEERJUYZHOPLFX-ZDUSSCGKSA-N 271.360 3.523 0 40 CHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)C 14400791 FOBZMTWELAFYNS-GFCCVEGCSA-N 277.408 3.666 0 40 CHAB Cc1ccc(C)c(CSc2nnc([C@H](N)C(C)C)o2)c1 15987415 FPWNUFIDNOTHAK-CYBMUJFWSA-N 291.420 3.635 0 40 CHAB CC(C)c1ccccc1NC(=O)c1cccc(N)c1 19280981 DYWMGEDCGLQXHR-UHFFFAOYSA-N 254.333 3.645 0 40 CHAB Cc1nc2ccccc2nc1Sc1ncc2ccccn12 32771200 RBKCBUFYACTHBN-UHFFFAOYSA-N 292.367 3.737 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32818739 JGBAGSHEFSYHMD-MWLCHTKSSA-N 272.348 3.720 0 40 CHAB Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1 35696789 BUSGIZXIJBVARX-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CSc1cccc(NC(=O)N[C@H](C)C(C)C)c1 40023871 KPQDKVDALBZIPD-SNVBAGLBSA-N 252.383 3.575 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(F)c2)o1 40097601 OUJXIRYIAVRFAM-VIFPVBQESA-N 280.274 3.749 0 40 CHAB CC[C@@H](C)n1c([C@H](C)O)nc2ccc(Cl)cc21 40407662 UBEVUIKAMMMALH-BDAKNGLRSA-N 252.745 3.714 0 40 CHAB CCN(CC)c1c(Cl)cc(N)cc1Br 45885856 WKDYMBLDBBMHCM-UHFFFAOYSA-N 277.593 3.531 0 40 CHAB CC(=O)N1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 72212132 BBBOBMWJFSANPF-MRXNPFEDSA-N 282.343 3.557 0 40 CHAB CCCNc1ncccc1[C@@H]1CCCCN1C(C)C 72213154 MMOCIWKHBDAZJF-HNNXBMFYSA-N 261.413 3.839 0 40 CHAB Cc1ccc2cc3c(nc2c1)OCCN(Cc1ccco1)C3 72392470 YJTZFCYTKUUOSI-UHFFFAOYSA-N 294.354 3.531 0 40 CHAB CS/C=C/C(=O)NCc1cccc(Oc2ccccc2)c1 79050947 BPBBGRBVWSSICS-ZHACJKMWSA-N 299.395 3.972 0 40 CHAB CC(C)Sc1cc(Br)ccc1C=O 82612763 SOSXCMCHPMPLCX-UHFFFAOYSA-N 259.168 3.762 0 40 CHAB in-vitro C[C@@H](Cc1ccc(O)cc1)N(C)c1nc2ccccc2o1 84640706 IGHSHZMNIUTPFW-LBPRGKRZSA-N 282.343 3.601 0 40 CHAB CCCCc1sc(/C=C/C(=O)O)cc1Br 85394035 XYABPFWAJQOMGX-AATRIKPKSA-N 289.194 3.951 0 40 CHAB OCCCSc1ccc(NCc2cccs2)cc1 89800022 VNQQHEZZFIPGTC-UHFFFAOYSA-N 279.430 3.835 0 40 CHAB CC[C@](C)(NCc1ncc(C(C)C)o1)c1nc(C)cs1 89942118 MBOZNEPIAZNUNW-HNNXBMFYSA-N 293.436 3.978 0 40 CHAB COc1ccc(Cl)cc1CN[C@@H](C)c1cncc(F)c1 95421138 NRICYUTXJAVSAD-JTQLQIEISA-N 294.757 3.734 0 40 CHAB CCOC(=O)CCCN1CCC[C@H]1/C=C/c1ccccc1 95468493 SMNGSEFKXHXZFE-UJGDBWEASA-N 287.403 3.508 0 40 CHAB Cc1nnc(CS[C@H](C)CCc2ccccc2)o1 95965640 KXAMLAKLPMDTDA-LLVKDONJSA-N 262.378 3.633 0 40 CHAB COCCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 96431621 LRKJCCNAJJTJMA-BBRMVZONSA-N 293.382 3.552 0 40 CHAB Cc1ccc(C2=C[C@H](c3cccs3)n3ncnc3N2)cc1 100869430 MXJCMDINMJTHMO-CQSZACIVSA-N 294.383 3.704 0 40 CHAB CCCO[C@H]1CCCN(C(=O)C2CCCCCC2)CC1 108235738 BFOWLRMBZPVWGX-INIZCTEOSA-N 281.440 3.765 0 40 CHAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)C(C)C)c1 143713880 LKHRKWXGXKCYJZ-UHFFFAOYSA-N 287.315 3.548 0 40 CHAB F[C@@H](C(F)(F)F)C(F)(F)OCC(Cl)(Cl)Cl 196343377 AYCCKVROTZNEIU-REOHCLBHSA-N 299.425 3.866 0 40 CHAB C[C@@H]1CC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C1 199803116 AKRBEMYRYHZOTK-VIFPVBQESA-N 294.276 3.656 0 40 CHAB O=Cc1cn(C(=O)OCc2ccccc2)c2cccc(F)c12 199814012 SFIVNYSOUSRYKL-UHFFFAOYSA-N 297.285 3.778 0 40 CHAB O=C(COc1ccc2c(c1)CCCC2)Nc1cccc(F)c1 223908105 QADUQKZHMKCXOX-UHFFFAOYSA-N 299.345 3.722 0 40 CHAB CC(=O)OCC(=O)c1sc2ccc(Cl)cc2c1C 575362146 IBWBBJTWAOWVQU-UHFFFAOYSA-N 282.748 3.609 0 40 CHAB CC(C)C[C@H](N)C1(c2ccc3c(c2)OC(F)(F)O3)CCC1 1772714935 PCOXBHPYKJSUGL-AWEZNQCLSA-N 297.345 3.803 0 40 CHAB FC(F)(F)CNc1ncc(-c2cccc3cc[nH]c23)cn1 1888909494 INOZBAIUKBEWTB-UHFFFAOYSA-N 292.264 3.599 0 40 CHAB O=C(Nc1ccc2ccccc2n1)c1cccs1 152080 XKNIDFNHJOFIKK-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB Cc1ccc(C)c(NC(=O)c2sc(Cl)nc2C)c1 385219 WZFSKPBLLBGREV-UHFFFAOYSA-N 280.780 3.974 0 40 CHAB CC[C@@H](C)Nc1nc(-c2ccccn2)nc2ccccc12 533452 UKHAMZBIMNTOHU-GFCCVEGCSA-N 278.359 3.902 0 40 CHAB CCC(C(=O)CCN(C)C)(c1ccccc1)c1ccccc1 1593250 XBBAATZGISSKRH-UHFFFAOYSA-N 295.426 3.904 0 40 CHAB COC(=O)C[C@H]1CCc2ccccc2[C@@H]1c1ccccc1 1632904 RJKXANGMEGTSQG-VQIMIIECSA-N 280.367 3.944 0 40 CHAB CCN(CC)C(=O)OC[C@@H]1[C@H](C=C(C)C)C1(C)C 1690871 UPEYENHMHKVMGQ-QWHCGFSZSA-N 253.386 3.703 0 40 CHAB CC1(C)COC(CCCC(=O)c2cc(F)cc(F)c2)OC1 2518087 YORHTVDFVRIHAV-UHFFFAOYSA-N 298.329 3.717 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1F 2640757 ACOAPEWIXBPUQN-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB Cc1ccc(NC(=O)CNc2cc(C)cc(C)c2)cc1 5332969 VGBHCJNSLPSARE-UHFFFAOYSA-N 268.360 3.662 0 40 CHAB O=C1CCC[C@]2(C1)CC(=O)c1sc3ccccc3c1O2 6243929 TYCHUZRIKKQSAC-INIZCTEOSA-N 286.352 3.748 0 40 CHAB CCOc1cc(C=O)cc(Cl)c1OCc1cccnc1 8702339 XTEXEFBMRLFLJE-UHFFFAOYSA-N 291.734 3.525 0 40 CHAB CC[C@H](C)c1ccccc1NC(=O)c1cc(C)on1 8851706 GWWWMJIQUYZFNV-JTQLQIEISA-N 258.321 3.749 0 40 CHAB O=C(Nc1cccc(F)c1)c1cc2ccccc2c(=O)s1 12030119 YSAVOAIIYGKTDJ-UHFFFAOYSA-N 299.326 3.653 0 40 CHAB O=C(NC1CCCC1)C1(c2cccs2)CCCC1 12157398 MFDJRBBOHPUIQR-UHFFFAOYSA-N 263.406 3.619 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1cc(F)ccc1F 12798215 XOBUCSUAAXESHZ-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(Cl)[nH]1 13007511 TYTBWMXQWCZFNE-VXNVDRBHSA-N 275.179 3.630 0 40 CHAB Cc1ccccc1COc1ccc(C(=O)O)cc1Cl 13085100 OIEYINRVODSYPJ-UHFFFAOYSA-N 276.719 3.926 0 40 CHAB Cc1cc(OCC2CCNCC2)c(Cl)c(C)c1Cl 14631520 FBEZIVHWKOUQAP-UHFFFAOYSA-N 288.218 3.989 0 40 CHAB O=C(Nc1ccc(F)cc1Cl)[C@@H]1CC=CCC1 15010040 HPPFDSOEJJGADS-SECBINFHSA-N 253.704 3.774 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(C)c1 15472061 FUTFPBAIJREMQS-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB C[S@](=O)c1ccc(/C=C2\C=Cc3ccccc32)cc1 17004836 XYWICSPUYKMEFN-LBKOFNPBSA-N 266.365 3.991 0 40 CHAB CC(C)c1noc2nc(-c3ccccc3)cc(C(=O)O)c12 20081494 NNAQQPGFWGIDPH-UHFFFAOYSA-N 282.299 3.711 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC1CCCCC1 22519670 FVXCVDQJHFQWBN-INIZCTEOSA-N 289.419 3.910 0 40 CHAB CN(Cc1ccco1)C(=O)N[C@H](c1ccccc1)C1CC1 23186881 RTYIRNWMHAFHSX-MRXNPFEDSA-N 284.359 3.572 0 40 CHAB CC(C)Oc1ccc(CNCc2ccccc2)cc1 32108824 PBLUSNUAHQRJJG-UHFFFAOYSA-N 255.361 3.764 0 40 CHAB Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)c(C)o1 32905298 VBYOBEJMFDBTEL-MRXNPFEDSA-N 269.344 3.656 0 40 CHAB Cc1cc(C)c2nc(NCCCn3ccnc3)sc2c1 36657639 MHUHQDWZHZBBRY-UHFFFAOYSA-N 286.404 3.612 0 40 CHAB COc1ccc([C@@H]2CCN(C(=O)CC3CCCC3)C2)cc1 38566431 DEOOJIVCZIVKDJ-MRXNPFEDSA-N 287.403 3.591 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(F)cc1Cl 39995071 ZTMNHGLLRKJDFB-GHMZBOCLSA-N 299.773 3.647 0 40 CHAB Cc1noc(C)c1CN(Cc1ccc(F)cc1)C1CC1 40012091 HUQHZJAKIRLJEN-UHFFFAOYSA-N 274.339 3.595 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)C(C)C)c(Br)c1 40023862 XBOIDRSPBAUWSC-SNVBAGLBSA-N 299.212 3.924 0 40 CHAB CSc1cccc(NC(=O)N2CCC(C)CC2)c1 40525526 SVTLJTMSRXGSGO-UHFFFAOYSA-N 264.394 3.672 0 40 CHAB Cc1csc(CNC(=O)Nc2cc(Cl)ccc2C)n1 40526385 DBIYIXYEDMROAI-UHFFFAOYSA-N 295.795 3.735 0 40 CHAB O=C(c1ccccc1)N1CCC[C@H]1c1cccs1 41596978 AFEJOGGTXFPBCZ-ZDUSSCGKSA-N 257.358 3.725 0 40 CHAB O=C(Nc1ccncc1)N[C@@H](c1ccccc1)c1ccco1 45155558 CTLNANYVDJELIO-INIZCTEOSA-N 293.326 3.586 0 40 CHAB Cc1cc2nc(-c3ccc(N)c(C)c3)[nH]c2cc1C 45954332 LXWZPGSXJWSEMQ-UHFFFAOYSA-N 251.333 3.737 0 40 CHAB CCc1nc2ccccc2n1NC(=O)c1ccc(Cl)cc1 58050632 BHQOQXWPRVDNSP-UHFFFAOYSA-N 299.761 3.636 0 40 CHAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 59369373 LVFQUCHPLXQHIZ-CQSZACIVSA-N 283.371 3.963 0 40 CHAB CON(C)C(=O)C1(c2cccc(Cl)c2)CCCCC1 71838884 LEUIPOZNBHTYMZ-UHFFFAOYSA-N 281.783 3.562 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccnc3ccccc23)cc1 74715480 LXBFVHPXACJVOM-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB CC(C)NCc1cccc(OCCC(F)(F)F)c1 80936613 ACOBGIBQSJDWKX-UHFFFAOYSA-N 261.287 3.516 0 40 CHAB Cc1[nH]c2ccccc2c1-c1csc(-c2ccn[nH]2)n1 84027123 QRPLUOZOSGFSCV-UHFFFAOYSA-N 280.356 3.990 0 40 CHAB CCN(C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C1CCCCC1 84761168 GGSVKMCQIHUTBS-IAGOWNOFSA-N 286.419 3.907 0 40 CHAB O=C(C1CC=CC1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 89827758 WASCVALTHPQRBA-PKOBYXMFSA-N 281.399 3.881 0 40 CHAB O=C(NNc1ccccc1)Nc1ccc(Cl)cc1F 89845700 RVXINBZVKMSSSE-UHFFFAOYSA-N 279.702 3.628 0 40 CHAB CC1(C)C(C(=O)Nc2ccc(F)c(F)c2)C1(C)C 96319384 FVRMDCXYJURLCC-UHFFFAOYSA-N 253.292 3.586 0 40 CHAB Cc1c([C@@H](C)NCc2nnc(C3CC3)o2)oc2ccccc12 97374258 TUFKBOGZWLCTCH-LLVKDONJSA-N 297.358 3.852 0 40 CHAB CS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccccc2F)C1 98019219 ARKFUXISIAKFLU-MNOVXSKESA-N 282.384 3.574 0 40 CHAB Cc1cccc(NC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 101489910 LMBPCPDQHYOTBR-DSJMHWKBSA-N 272.392 3.941 0 40 CHAB O=C1CCCc2c1cnn2-c1cc(Cl)ccc1Cl 199727273 NSKLMDIDGYJTMO-UHFFFAOYSA-N 281.142 3.698 0 40 CHAB CCOc1cccc(CNC(=O)c2cc(C)c(C)cc2C)c1 225646139 OZKVRBHWYGYSHK-UHFFFAOYSA-N 297.398 3.941 0 40 CHAB COc1ccc(CN(C)C(=O)Cc2ccc(C)cc2C)cc1 225869484 ICCNXRVPZXUYQI-UHFFFAOYSA-N 297.398 3.513 0 40 CHAB Cc1c(NC(=O)C(C)C)cccc1-c1ccc(C(=O)O)o1 226352237 FERJTXIRMPZGNP-UHFFFAOYSA-N 287.315 3.548 0 40 CHAB CO[C@@H](CNC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 253473327 UFFFTADAQLZPSC-GUYCJALGSA-N 299.370 3.593 0 40 CHAB O=C(O)C1(c2cccc3ccc(Br)cc23)CC1 259848965 MCDPTIQZDNEEGB-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 68852 BDJOEDBVEZKKHS-UHFFFAOYSA-N 266.753 3.730 0 40 CHAB Cc1ccc(C)c(C(=O)N2CCCc3ccccc32)c1 514827 SXSUCRJSDFZSGA-UHFFFAOYSA-N 265.356 3.896 0 40 CHAB Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 577367 KDOGSTJKUCNNJN-UHFFFAOYSA-N 297.379 3.949 0 40 CHAB O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2s1 1405194 OYHJYRUVIDOMRQ-UHFFFAOYSA-N 297.166 3.958 0 40 CHAB NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 2571516 ASGAHGHLFFGPBN-UHFFFAOYSA-N 270.719 3.587 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=S)NC1CCCCC1 3254888 JHQGHWCYOZXJOD-GFCCVEGCSA-N 274.433 3.645 0 40 CHAB O=C(Nc1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 4035693 FRVNIRTZJJDUDP-DZGCQCFKSA-N 258.365 3.873 0 40 CHAB CCn1nc(-c2ccccc2)c2nc3ccccc3nc21 4296026 WKXGDKXWDPBUFH-UHFFFAOYSA-N 274.327 3.666 0 40 CHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(=O)c1ccccc1 4611013 WBMULNOFMGKWPA-NUEKZKHPSA-N 288.387 3.873 0 40 CHAB biogenic,in-vitro CCCCCCOC(=O)N[C@@H](C)CCCN(CC)CC 4742758 HVZIZJATIKUIKV-HNNXBMFYSA-N 286.460 3.803 0 40 CHAB CCNC(=O)c1cc2sccc2n1Cc1ccccc1 4971011 SYAHEJXDBQBSDE-UHFFFAOYSA-N 284.384 3.501 0 40 CHAB CSc1ccccc1NC(=O)/C=C/c1ccco1 5443570 BCRDPTODKQDGRV-CMDGGOBGSA-N 259.330 3.653 0 40 CHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCC1 5559061 KYRCKXLVZUXWJK-UHFFFAOYSA-N 276.336 3.688 0 40 CHAB c1coc(-c2nnc(CSc3nc4ccccc4o3)o2)c1 5628623 UEQWKOLGXGALOV-UHFFFAOYSA-N 299.311 3.763 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=S)Nc1ccccc1F 6851549 VTOXJQCZXDNVFW-GHMZBOCLSA-N 266.385 3.785 0 40 CHAB Cc1ccc(-c2cc(NC(=O)[C@H]3CC=CCC3)on2)cc1 8345718 OEACIBMPWUETEW-AWEZNQCLSA-N 282.343 3.945 0 40 CHAB CCCCc1nnc2sc(-c3ccc(C)cc3)nn12 11277856 KBOWCWJRAMHRHR-UHFFFAOYSA-N 272.377 3.504 0 40 CHAB Cc1cccc(OCc2ccccc2C(=O)O)c1C 11994361 NZRMOEVSQVAUGM-UHFFFAOYSA-N 256.301 3.581 0 40 CHAB CC(C)[C@H](NC(=O)c1ccnn1C(C)C)c1cccs1 13568445 JIIGSNPSQPJPIW-AWEZNQCLSA-N 291.420 3.653 0 40 CHAB CCCN(Cc1cccnc1)C1CC(C)(C)NC(C)(C)C1 13992642 PMKJORXNYKOQLX-UHFFFAOYSA-N 289.467 3.603 0 40 CHAB c1ccc2cc(OCCC3CCNCC3)ccc2c1 14632398 ZCRBNQFKGZVJCK-UHFFFAOYSA-N 255.361 3.608 0 40 CHAB in-vitro CCN1C(=O)[C@@H](Cc2sccc2C)c2ccccc21 15018175 WTNLJUPEANKIOR-ZDUSSCGKSA-N 271.385 3.749 0 40 CHAB Cc1nc(CCNC(=O)c2cccc3ccccc23)cs1 27792841 XHKSUCUTJFBMFG-UHFFFAOYSA-N 296.395 3.577 0 40 CHAB CCOc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 28210609 WVEHOMAVGVZUOV-UHFFFAOYSA-N 295.260 3.755 0 40 CHAB CCN1C(=O)S/C(=C\Nc2cccc3ccccc23)C1=O 36636156 LLYPWHSDXIOFTM-UVTDQMKNSA-N 298.367 3.808 0 40 CHAB O=c1cc(-c2ccccc2)[nH]c2c(F)c(Cl)ccc12 36912418 HZUOLYGWXKPPNY-UHFFFAOYSA-N 273.694 3.988 0 40 CHAB Cc1sc(Br)c(C)c1Br 39044290 RPCAOQRHVBMFNW-UHFFFAOYSA-N 269.989 3.890 0 40 CHAB Cc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c(C)o1 40159555 MZOPVIFWAWEYNT-UHFFFAOYSA-N 295.741 3.961 0 40 CHAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1 44845059 DDLXFQZBVMLXSD-HNNXBMFYSA-N 283.371 3.560 0 40 CHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccoc1 54298764 MMPGVEXNVCPRCJ-LLVKDONJSA-N 280.327 3.520 0 40 CHAB O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1ccco1 54897993 MBFHADBIAFUDFU-UHFFFAOYSA-N 294.354 3.524 0 40 CHAB Cc1ccc(C2=CS[C@H]3N=CN=C(NCC(C)C)[C@@H]23)cc1 57369759 UYLWGJKSAUBLDY-NVXWUHKLSA-N 299.443 3.711 0 40 CHAB Cc1c(F)cccc1-c1ccc([C@H]2C[C@H]2C(=O)O)o1 70452813 ZZXVOSIYQXTFMA-WDEREUQCSA-N 260.264 3.582 0 40 CHAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3)n2c1 71459289 JVPBMCRNKNPKBP-UHFFFAOYSA-N 299.761 3.857 0 40 CHAB Cc1ccnc([C@H]2CCCN2C(=O)OCc2ccccc2)c1 72211182 LBUGNWIBZRUXFQ-QGZVFWFLSA-N 296.370 3.864 0 40 CHAB CC(C)CNc1ncccc1[C@@H]1CCCN1C(C)C 72213253 UAWUNIWKMNGZSC-HNNXBMFYSA-N 261.413 3.695 0 40 CHAB Cc1cc(SCc2ccccc2)ncc1[C@H](C)O 72223449 VKZNMMROSZPNCQ-LBPRGKRZSA-N 259.374 3.736 0 40 CHAB CCn1c2ccc([C@@H](C)O)cc2c2cc([C@@H](C)O)ccc21 73634188 DLTNNSFHHCRQFD-VXGBXAGGSA-N 283.371 3.921 0 40 CHAB COC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 74418597 SBMRJKITYIBTOL-UHFFFAOYSA-N 275.131 3.519 0 40 CHAB CC(C)(C)c1ccc(COC(=O)Cc2ccc(O)cc2)cc1 84284422 JOUGTGHXAPTFPI-UHFFFAOYSA-N 298.382 3.976 0 40 CHAB CCC(=O)Nc1ccc(NCc2ccccc2)cc1C 95395005 JLXGWDWCMZMPAM-UHFFFAOYSA-N 268.360 3.956 0 40 CHAB Cc1cnc(CCN[C@H]2CCSc3ccccc32)s1 95423292 NPNPQKKMYFUYJI-ZDUSSCGKSA-N 290.457 3.821 0 40 CHAB CC(C)c1ncc(C(=O)N(c2cccnc2)C(C)C)s1 95430950 OBHGSHPUCQFYBW-UHFFFAOYSA-N 289.404 3.717 0 40 CHAB O=C(c1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1C(=O)O 95634043 ONEKAMQWORJZKD-VHSXEESVSA-N 284.714 3.553 0 40 CHAB Fc1ccc(Br)cc1-n1cnc2ccccc21 95915646 HFEKVSOXHBQCBS-UHFFFAOYSA-N 291.123 3.927 0 40 CHAB COc1cc(OC)cc(C(=O)c2cc(Cl)ccc2C)c1 95916568 WNGILMRVCYHKNL-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB COc1cccc(C(=O)c2cccc(F)c2Cl)c1 95917146 OEMFZFOLBXSQED-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CC(C)c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)no1 96181201 NJLOMAHBMNECKK-UHFFFAOYSA-N 293.392 3.804 0 40 CHAB Cc1nnc(CCCS[C@@H]2CCc3c(F)cccc32)o1 97379557 KINYFRWSLXYQLB-CQSZACIVSA-N 292.379 3.870 0 40 CHAB O=C1C[C@H]2c3ccccc3C(=O)C[C@@H]2c2ccccc21 140447161 QXNOHQMRONMROP-IYBDPMFKSA-N 262.308 3.727 0 40 CHAB COc1ccc(C(=O)CCc2ccc(C)s2)cc1OC 199729179 LMDNUMOZVJOXKF-UHFFFAOYSA-N 290.384 3.889 0 40 CHAB Cc1ccc(CN(C)C(=O)c2ccc(C)c(C)c2)cc1 224801136 GUTDKJDIBSARII-UHFFFAOYSA-N 267.372 3.884 0 40 CHAB Cc1ccc2c(c1)nc(-c1cccc(-n3cccn3)c1)n2C 532109741 KGFZZJOSPLELCM-UHFFFAOYSA-N 288.354 3.734 0 40 CHAB Clc1cc(Cl)c2c(Br)c[nH]c2n1 575441069 SSEQKPPPRBJVLO-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB O=C([C@H]1CC=CCC1)N1CC2(CC(c3ccccc3)C2)C1 1776000613 AZQWKSPBEUYFBL-INIZCTEOSA-N 281.399 3.749 0 40 CHAB CC(C)(C)c1ccc(O)c(C(=O)Oc2ccccc2)c1 136191 VXAKYUAEEDTDNG-UHFFFAOYSA-N 270.328 3.909 0 40 CHAB Cc1nc(Nc2nc(C)c3cccc(C)c3n2)nc(C)c1C 286928 RNKNZWUDZPDKPF-UHFFFAOYSA-N 293.374 3.706 0 40 CHAB CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 487769 BKFBGAGULYVCCT-INIZCTEOSA-N 293.370 3.834 0 40 CHAB biogenic COC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 561020 QAYJIOAFIISCNV-UHFFFAOYSA-N 299.370 3.577 0 40 CHAB CC(C)CN(CC(C)C)C(=O)/C=C/c1ccc(F)cc1 1456916 ZROHMLSRLBMHED-JXMROGBWSA-N 277.383 3.980 0 40 CHAB Cc1ccccc1-n1c(C)nc(-c2ccccc2)cc1=O 1622757 SVOGRFBWKYBSSN-UHFFFAOYSA-N 276.339 3.516 0 40 CHAB CCCCC(=O)Nc1nc(-c2ccccc2)cs1 1768361 IPKRCVSMKPSNOM-UHFFFAOYSA-N 260.362 3.939 0 40 CHAB CCC(C)(C)NC(=O)c1c(-c2ccccc2)noc1C 3327738 ZMNMDFUAGMLMSI-UHFFFAOYSA-N 272.348 3.568 0 40 CHAB CC1=C(C)[C@@H](Nc2ccccc2)N(Cc2ccccc2)C1=O 4608121 KYLRLWZSGLNLQX-SFHVURJKSA-N 292.382 3.803 0 40 CHAB Cc1cccc[n+]1C1c2ccccc2-c2ccccc21 4777605 SWKNQIJYQPCBIR-UHFFFAOYSA-N 258.344 3.901 0 40 CHAB CC(C)CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 5843274 XAGPETJOUSLRHS-DHZHZOJOSA-N 259.393 3.770 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)COc2ccc(Cl)cc2)[C@@H]1C 6435973 ZHGZWBNIFFCUSW-LALPHHSUSA-N 295.810 3.660 0 40 CHAB CC[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 6788123 CILWEQVQHBKYMA-BDAKNGLRSA-N 289.206 3.709 0 40 CHAB CCCCNCc1cc(Cl)c(OCC)c(OC)c1 7261633 UILBFNSXFQVLJW-UHFFFAOYSA-N 271.788 3.637 0 40 CHAB Cc1ccc(NC(=S)N[C@H](C)c2ccncc2)cc1C 7531452 LMEWIKIGESAIMO-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C)nc2)c(Cl)c1 12873096 RXTWITFOWZXQLG-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CCCCNC(=O)N[C@H](C)c1ccc(Cl)s1 13744930 LYSXHSZFQHTPKB-MRVPVSSYSA-N 260.790 3.562 0 40 CHAB O=C(Cc1ccsc1)Nc1ccccc1Cl 15623972 VZVZOGLYMULOHM-UHFFFAOYSA-N 251.738 3.583 0 40 CHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1Cc1ccc(Cl)cc1 16607827 RHLPSTLAMLIWBZ-MRXNPFEDSA-N 298.773 3.921 0 40 CHAB Cc1cccc(C)c1OC(=O)/C=C\c1ccccc1 17285459 WJMIHNXJAYKYIZ-QXMHVHEDSA-N 252.313 3.922 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCCCCC1 20490396 LELNKGKKFREREH-CQSZACIVSA-N 295.810 3.900 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1 20496564 BGCRLCFSZKWSTR-FPYGCLRLSA-N 297.745 3.868 0 40 CHAB CCc1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 22528902 NMPOCBMZOZEOLZ-ZDUSSCGKSA-N 299.370 3.664 0 40 CHAB CC(C)(C)c1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1 26158430 ADNYNTIXBLTVEY-MRXNPFEDSA-N 282.387 3.623 0 40 CHAB Cc1cc2nc(NC(C3CC3)C3CC3)c3ccccc3n2n1 26700974 VPVUMTBUEGYKGS-UHFFFAOYSA-N 292.386 3.791 0 40 CHAB Cc1ccc(S[C@H](C)C(=O)N2CCC(C)CC2)cc1 31851930 OMXGTKFQLLHQEY-CQSZACIVSA-N 277.433 3.734 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2c(C)oc(C)c2C)o1 32808905 WJTLMBKTDVJFCZ-SNVBAGLBSA-N 261.321 3.597 0 40 CHAB O=C(OCc1ccccc1)c1ccc2[nH]ccc2c1 38437123 TYHQDGAMZGNGCF-UHFFFAOYSA-N 251.285 3.525 0 40 CHAB in-vitro CCCN(CCC)C(=O)Cc1cc(Cl)ccc1OC 48251859 JRUQRJSEVXVMBE-UHFFFAOYSA-N 283.799 3.540 0 40 CHAB C[C@@H]1Cc2ccccc2N1c1nc2ccccc2o1 48546225 PZLHMILRBBUNAR-LLVKDONJSA-N 250.301 3.911 0 40 CHAB CCCCS(=O)(=O)N[C@H](C)c1ccc2ccccc2c1 48903134 FZXGXYDNFORYDK-CYBMUJFWSA-N 291.416 3.620 0 40 CHAB CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(C)C)c1 49130682 GUENPEMSUGWVNV-OAHLLOKOSA-N 274.364 3.542 0 40 CHAB O=Cc1cc(Br)ccc1OCCC(F)(F)F 70206473 SLXZZHRGUXPUEG-UHFFFAOYSA-N 297.070 3.593 0 40 CHAB CCNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213072 AUSBLZLIGQUQKD-CYBMUJFWSA-N 291.395 3.585 0 40 CHAB CCN(Cc1nnc(C2CC2)o1)c1cc(C)cc(C)c1 72579335 ISARAFAWRNCMLE-UHFFFAOYSA-N 271.364 3.590 0 40 CHAB COC(=O)C(C)(C)C(C)(C)NCc1cc2ccccc2o1 75108073 ORBOURWHXDYRKN-UHFFFAOYSA-N 289.375 3.500 0 40 CHAB Cc1ccc(-c2cc(CN3CCC[C@H]3C)on2)cc1 76115186 AJXHCLZBFQZLFZ-CYBMUJFWSA-N 256.349 3.634 0 40 CHAB FC(F)(F)Oc1cccc(C[C@H]2CCCCNC2)c1 77293305 JLTHLGACDUDISW-GFCCVEGCSA-N 273.298 3.517 0 40 CHAB in-vitro CCOC(=O)c1cccc(NC(=O)[C@H](C)c2ccccc2)c1 85423541 MPLMXJDFMSJVFR-CYBMUJFWSA-N 297.354 3.606 0 40 CHAB Cc1nc(C)c(C(=O)N2CCSc3ccccc32)s1 89559033 JUDDEEUVEXUKRP-UHFFFAOYSA-N 290.413 3.512 0 40 CHAB CC1CCN(c2ccc(Br)c(F)c2)CC1 95915901 MEQKLBUZMPSXBI-UHFFFAOYSA-N 272.161 3.825 0 40 CHAB CC1(C)[C@H](N[C@@H]2CCN3CCCC[C@H]23)C[C@@H]1c1ccccc1 96009160 BHQPCLLXCJPZFZ-NCXUSEDFSA-N 298.474 3.785 0 40 CHAB CNC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100864032 NROLQNLNCXUXKL-MVYVIFSASA-N 297.442 3.969 0 40 CHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCCc2c(F)cc(F)cc21 106062607 DJAPGVHSZKUCQR-MJVIPROJSA-N 291.341 3.680 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(-c2cc[nH]n2)cc1 107330784 UEFSGYXTXDQWBD-QEJZJMRPSA-N 295.386 3.842 0 40 CHAB CCCCC[S@@](=O)Cc1ncc(Cl)cc1Cl 163680748 CQHFDEGVEYHAFR-INIZCTEOSA-N 280.220 3.827 0 40 CHAB CSc1ccc(-c2oc3ccccc3c(=O)c2O)cc1 215357321 YEWFJNIODNIPSP-UHFFFAOYSA-N 284.336 3.888 0 40 CHAB Cc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223155758 GGXOAZVDHTXURT-AWEZNQCLSA-N 279.383 3.975 0 40 CHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)C(C)C 225230741 GMHVAEXWCFKQBA-ZBFHGGJFSA-N 277.408 3.622 0 40 CHAB Cc1cccc(CC(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 253407253 VUCGDRRSSCAURA-KRWDZBQOSA-N 297.373 3.693 0 40 CHAB CCOc1ccccc1/C=C1\C(=O)N(CC)c2ccccc21 409118338 PDMZJSCCVFTLFP-SSZFMOIBSA-N 293.366 3.992 0 40 CHAB O=C(CCCF)Nc1ccc(-n2ncc3ccccc32)cc1 1520641062 SDAGUGSIUUWUOV-UHFFFAOYSA-N 297.333 3.714 0 40 CHAB COc1cc(NC(=O)Nc2cccs2)ccc1F 1888962026 PSCVWUGCIAQGCU-UHFFFAOYSA-N 266.297 3.540 0 40 CHAB CCc1c(C)nc2ccccc2c1SCCC(=O)O 140921 DNEFEMYTSOEURO-UHFFFAOYSA-N 275.373 3.672 0 40 CHAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccccc1 176462 UKSDTQODSUQZKG-NTEUORMPSA-N 283.714 3.685 0 40 CHAB CCC(CC)c1nnc(NC(=O)c2cccc(F)c2)s1 804717 KJLMYFGIJSWYIC-UHFFFAOYSA-N 293.367 3.833 0 40 CHAB CCN(C(C)=O)c1ccc2c(c1)Cc1ccccc1-2 1724419 UQMYSDCRADJZSZ-UHFFFAOYSA-N 251.329 3.631 0 40 CHAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccccc1 1725469 ZRLNSNULNMARCC-CABCVRRESA-N 292.787 3.670 0 40 CHAB CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccccc1 2286496 QCHMUMZWEDNROG-ZDUSSCGKSA-N 272.281 3.721 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1F 2648921 UTGKVWWQUXHNRC-UHFFFAOYSA-N 255.292 3.567 0 40 CHAB Cc1cccc(NC(=O)Nc2nnc(-c3ccccc3)o2)c1 2663431 MVEOKEDCXGGOQT-UHFFFAOYSA-N 294.314 3.689 0 40 CHAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1 2797963 SUSVCQIOQUBZHF-UHFFFAOYSA-N 292.338 3.580 0 40 CHAB COc1ccccc1CNC1=Nc2ccccc2CS1 3052300 VQTGMEVWHAMAHA-UHFFFAOYSA-N 284.384 3.719 0 40 CHAB O=C(CSC1CCCC1)N[C@@H]1CCCc2ccccc21 3440892 XCYVHIRTVOYFQR-MRXNPFEDSA-N 289.444 3.856 0 40 CHAB CNCc1nc(-c2ccc(C(C)(C)C)cc2)cs1 3710578 DCHDQMOAKLRKST-UHFFFAOYSA-N 260.406 3.827 0 40 CHAB Cc1ccc(NC(=O)Nc2nc3c(s2)CCCC3)cc1 4070135 KZWUYALHJYQBNH-UHFFFAOYSA-N 287.388 3.974 0 40 CHAB C[C@H]1CCC[C@@H](N2CNc3nc4ccccc4n3C2)[C@@H]1C 4149134 KHXBHMXDHPEFQC-GZBFAFLISA-N 284.407 3.504 0 40 CHAB Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 4243985 BEIVSSVOAYGNSA-UHFFFAOYSA-N 288.148 3.575 0 40 CHAB Cc1ccc([C@@H](Nc2cccc(C)c2)C(=O)O)cc1 4244971 UHKZOIYASLZHGV-OAHLLOKOSA-N 255.317 3.541 0 40 CHAB COc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4677238 GBVANKVMIBXCEI-UHFFFAOYSA-N 299.414 3.528 0 40 CHAB C[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 4702919 NCEWXWHANSLPTP-LZGFCCKTSA-N 263.768 3.612 0 40 CHAB CCC(=O)OCCCCCCCCCOC(=O)CC 4722515 MIAMGLJBYZJFSX-UHFFFAOYSA-N 272.385 3.624 0 40 CHAB Fc1ccc(Cc2nnc(-c3cccs3)o2)cc1 4927526 ACFGBZMGVXGFDI-UHFFFAOYSA-N 260.293 3.528 0 40 CHAB CC(=O)c1ccc(NC(=O)[C@H](C)SC2CCCC2)cc1 5895723 FIYNVJZQZSKGND-LBPRGKRZSA-N 291.416 3.892 0 40 CHAB Cc1ccc(NC(=S)N2CCC[C@H](C)C2)cc1C 6488075 YYJJGPQBSLORNO-NSHDSACASA-N 262.422 3.732 0 40 CHAB Cc1ccc(NC(=S)N2CCC[C@@H](C)C2)cc1C 6488077 YYJJGPQBSLORNO-LLVKDONJSA-N 262.422 3.732 0 40 CHAB CSc1ccccc1NC(=O)Cc1cccc(F)c1 6646451 ABNCTOMZXOUNTC-UHFFFAOYSA-N 275.348 3.729 0 40 CHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC=CCC1 7969571 SOKBAXNPAWOZFI-SECBINFHSA-N 253.704 3.774 0 40 CHAB Fc1ccc(-c2csc3ncnc(-n4ccnc4)c23)cc1 8134792 LYOLSDPRUXVEPY-UHFFFAOYSA-N 296.330 3.683 0 40 CHAB CCCCOc1ncnc2c1[nH]c1ccc(OCC)cc12 8690158 SJBPOXYECUEZHY-UHFFFAOYSA-N 285.347 3.689 0 40 CHAB C[C@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 9885185 JUXOQOAMFVRBBP-GUOLPTJISA-N 257.358 3.639 0 40 CHAB Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)n1 12543408 MUGYGONJTUBWSS-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB Cc1nc2cc(NC(=O)c3ccc(F)c(F)c3)ccc2o1 12882366 PZAFRPRUQNKVPZ-UHFFFAOYSA-N 288.253 3.667 0 40 CHAB Cc1cc(C)cc(NC(=O)N[C@H](C)c2ccccn2)c1 13331883 OIGZHGLZWJMFKG-CYBMUJFWSA-N 269.348 3.581 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCc3ccccc32)c1 13710914 NRCMSFVWXOKMPR-HNNXBMFYSA-N 295.382 3.660 0 40 CHAB S=C(NCCCCc1ccccc1)NCc1ccccc1 13817694 NLLSYZUKSCDIGH-UHFFFAOYSA-N 298.455 3.674 0 40 CHAB C[C@H](NC(=S)NC1CC1)c1ccc2ccccc2c1 16240662 VWNSKVVSPPOITQ-NSHDSACASA-N 270.401 3.527 0 40 CHAB Cc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1N 19484990 GMMCOQODJHJZHL-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 20108253 DLLZSWGJPHRYII-LSDHHAIUSA-N 297.398 3.894 0 40 CHAB CCCCC(=O)Nc1nc2ccccc2n1CCC 22284835 LLCKHNPLEHNQRJ-UHFFFAOYSA-N 259.353 3.575 0 40 CHAB CCCCSCc1nc2nc(Cl)c(Cl)nc2[nH]1 22912010 BYEDVHQRAJNRIW-UHFFFAOYSA-N 291.207 3.693 0 40 CHAB in-vitro CCCCCNC(=O)Cc1csc(-c2cccs2)n1 23330747 WPZDNRYFLVTOET-UHFFFAOYSA-N 294.445 3.721 0 40 CHAB O=C(NCCC1=CCCCC1)c1cc(F)ccc1F 28210745 UPNFCYABBOFDRK-UHFFFAOYSA-N 265.303 3.585 0 40 CHAB O=C(CCn1cnc2ccccc21)NC1CCCCCCC1 29632453 BNYNKFPUXDDHBH-UHFFFAOYSA-N 299.418 3.656 0 40 CHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCC1 32787287 KDWLCZMXTRVLSN-SNVBAGLBSA-N 251.757 3.660 0 40 CHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1C[C@H]1C 32787296 CNHIKPNLBUBMQU-NRUUGDAUSA-N 251.757 3.515 0 40 CHAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 32904262 GLCAVSOMSKMZQG-CQSZACIVSA-N 263.356 3.925 0 40 CHAB Cc1cc(C)c(C2=NOC[C@]2(C)C(=O)C(C)C)c(C)c1 38337783 ZPPMDNJLPFHUQB-KRWDZBQOSA-N 273.376 3.578 0 40 CHAB O=C1COc2cc(OCc3c(F)cccc3Cl)ccc21 40217202 VDQYUWASMDBOID-UHFFFAOYSA-N 292.693 3.633 0 40 CHAB COc1ccc(S[C@@H](C)C(=O)N2CCCCCC2)cc1 44840378 OHCZKQAGGADULS-ZDUSSCGKSA-N 293.432 3.578 0 40 CHAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)C(C)C)ccc1Cl 48628255 KDPRXYIZCKAOCD-RYUDHWBXSA-N 283.799 3.576 0 40 CHAB C[C@@H](SCc1ccc(F)cc1)C(=O)NC1CCCC1 71818601 LJUOZTQRUADHIY-LLVKDONJSA-N 281.396 3.506 0 40 CHAB CCCCN1CCCC[C@@H]1c1ccc(NCC)nc1 72213098 LENUPCVIHYELCI-OAHLLOKOSA-N 261.413 3.841 0 40 CHAB O=CN1CCCC[C@H]1c1cccnc1Sc1ccccc1 72217693 XQDQVDRCIPLOBW-INIZCTEOSA-N 298.411 3.916 0 40 CHAB Cc1ccc(Nc2nc(C(C)(C)C(=O)O)cs2)cc1C 78404236 CEVZVVUFEHLVBW-UHFFFAOYSA-N 290.388 3.866 0 40 CHAB Cc1noc(C)c1CNc1ccccc1OCC(F)F 89529398 DAGNSCMKITVLBT-UHFFFAOYSA-N 282.290 3.547 0 40 CHAB CCc1ccccc1Oc1nc(Cl)ncc1F 91654984 VUXQUWQTCTVTHD-UHFFFAOYSA-N 252.676 3.624 0 40 CHAB Cc1ccc(C)c(C(=O)c2ccc(F)c(F)c2F)c1 94183935 FYYHSAAYMYELJT-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB COc1ccc(C(=O)Nc2ccsc2)cc1OC(F)F 95960321 MAGRXYLQFQKJQM-UHFFFAOYSA-N 299.298 3.610 0 40 CHAB CC(C)(C)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96194066 ZEVVJZACNBPJKG-UHFFFAOYSA-N 298.371 3.897 0 40 CHAB Cc1ccccc1C[C@@H](Oc1ccccc1Cl)C(=O)O 225014932 XUVYPBQFDRMKQV-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB FCCCCCSc1nnc(C(F)(F)F)s1 225444762 HTGXGSUZGRDFGQ-UHFFFAOYSA-N 274.308 3.789 0 40 CHAB CCC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1C 225578350 ZZQOMDLHZADYIH-SFHVURJKSA-N 267.372 3.919 0 40 CHAB Cc1ccc(NC(=S)N[C@@H](C)c2ccccc2C)nc1 225755143 WKKLBECHQCKSSP-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB CC(C)Oc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1 226274510 VOXRSSKBZWJTON-ZDUSSCGKSA-N 299.370 3.779 0 40 CHAB C[C@@H](CC1CCCC1)C(=O)N1CCC(c2ncco2)CC1 521396403 VBVUCTZMALUCRE-ZDUSSCGKSA-N 290.407 3.597 0 40 CHAB O=C(c1ccc(OCCN2CCCC2)cc1)C1CCCC1 575358742 CLUXLMOLAVFKAN-UHFFFAOYSA-N 287.403 3.534 0 40 CHAB CC(C)(C)OC(=O)c1ccc(-c2ccccn2)cc1 1250511437 NMSMPGCVXGXXOY-UHFFFAOYSA-N 255.317 3.704 0 40 CHAB Cc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1 175388 FLLXOIJOBVIVBT-UHFFFAOYSA-N 287.318 3.949 0 40 CHAB O=C(CSc1ccc(F)cc1)Nc1ccc(F)c(F)c1 389175 FFFQPAKQPCMBQW-UHFFFAOYSA-N 297.301 3.835 0 40 CHAB C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc(Cl)cc1 460932 BNDDVIJTQSVCHZ-SNVBAGLBSA-N 294.709 3.852 0 40 CHAB COc1oc(-c2cccc(C)c2)nc1C(F)(F)F 543265 HCOQVKXTYHIJOB-UHFFFAOYSA-N 257.211 3.677 0 40 CHAB CCCCn1cnc2sc(-c3ccccc3)cc2c1=O 1775313 OMTIBQJLQRDQLD-UHFFFAOYSA-N 284.384 3.925 0 40 CHAB COc1cccc(C(=O)OCc2ccccc2Cl)c1 1948584 USKREPROPADWCP-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 3102867 JTYMODOTLJHGHO-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB CCCCC(=O)Nc1nnc(-c2cccc(C)c2)s1 4072073 CKAGTVSGBWJALG-UHFFFAOYSA-N 275.377 3.642 0 40 CHAB COCCNc1c(-c2ccc(C)cc2)nc2ccc(C)cn12 4848453 RQIYSGGRUJUJKI-UHFFFAOYSA-N 295.386 3.676 0 40 CHAB Cc1ccc(C2=NC3(CCC(C(C)(C)C)CC3)NC2=O)cc1 4891343 LNKVFXMAAISBPL-UHFFFAOYSA-N 298.430 3.847 0 40 CHAB CC(=O)c1ccccc1NC(=O)CCOc1ccc(C)cc1 7061146 HAOHUAHYCVPABJ-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB O=C(Nc1nc2ccccc2s1)[C@@H]1CC=CCC1 7767667 LWCHIPFGIRLERF-SNVBAGLBSA-N 258.346 3.591 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1ccc(F)c(Cl)c1 7969525 JKMVITZVLDKDNW-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC(C(C)C)C(C)C 8496288 OCNBLFIGQDIVKF-INIZCTEOSA-N 291.435 3.949 0 40 CHAB Nc1cc(N)cc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 8703360 NDKCJLZNTQUFTD-UHFFFAOYSA-N 294.141 3.966 0 40 CHAB CCCN1CC[C@]2(CCCN(Cc3cccc(C)c3)C2)C1 11841886 ICSUAVLOVCDTPJ-LJQANCHMSA-N 286.463 3.693 0 40 CHAB Clc1ccc(CNc2ncnc3ccccc23)cc1 13476433 BTRLSAYDVSPYCS-UHFFFAOYSA-N 269.735 3.895 0 40 CHAB CCCN(CCC)c1ccc(Br)cc1N 19515697 UFYFSTYWLRXBGF-UHFFFAOYSA-N 271.202 3.658 0 40 CHAB Nc1cccn2cc(-c3ccc(Cl)cc3Cl)nc12 19733917 FCXGRIVUGHLFFH-UHFFFAOYSA-N 278.142 3.890 0 40 CHAB C[C@H](CNCc1cccs1)Oc1ccc(Cl)cc1 19738135 QSNJJDBPSWJVHH-LLVKDONJSA-N 281.808 3.959 0 40 CHAB N[C@H](c1ccc2c(c1)OCCCO2)c1ccccc1Cl 19967977 SDMAZUVUXSCFFK-MRXNPFEDSA-N 289.762 3.549 0 40 CHAB in-vitro CSc1cccc(Nc2nc(C)c(C(=O)O)s2)c1 20156558 LWYCWHQRPZCFBX-UHFFFAOYSA-N 280.374 3.615 0 40 CHAB CC(=O)N1CN(C(C)(C)C)Cc2c1sc1c2CCCC1 20192340 JQHUKLZBTQPROS-UHFFFAOYSA-N 292.448 3.551 0 40 CHAB CCc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1 20193791 CXEUHSHKVIWFJF-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB FC(F)(F)c1c(Br)cnn1-c1ccccc1 20593949 BBNIPZYHEDWGPH-UHFFFAOYSA-N 291.070 3.654 0 40 CHAB CC(C)(C)OC(=O)N1CCC(Nc2ccccc2F)CC1 36878882 FJIBTJVKKCLUBL-UHFFFAOYSA-N 294.370 3.637 0 40 CHAB CN(C(=O)Cc1cccc2cccnc12)C1CCCCC1 40485779 QWPFJHSRVVHHHN-UHFFFAOYSA-N 282.387 3.568 0 40 CHAB COc1ccccc1-c1csc(C2(N)CCCC2)n1 41164190 SDQDCNNOZCOWFW-UHFFFAOYSA-N 274.389 3.547 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(Cl)cc2F)s1 48340147 HUVQKFUGLRDOFM-UHFFFAOYSA-N 283.755 3.779 0 40 CHAB NC(=S)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 49866111 MJJCVBKZASOSPJ-UHFFFAOYSA-N 272.156 3.888 0 40 CHAB COc1ccc(NC(=O)Nc2ccc(C)cc2)c(C)c1 51354578 YSBGFOQJVFXNAH-UHFFFAOYSA-N 270.332 3.956 0 40 CHAB O=C1C[C@@H]2Sc3ccccc3N=C2N1Cc1ccccc1 59682015 YZJDMRZSXJCONN-HNNXBMFYSA-N 294.379 3.623 0 40 CHAB Cc1noc([C@H](C)N[C@H](c2ccccc2)C2CCC2)n1 69621818 XGCMYJWTNBKAPL-XHDPSFHLSA-N 271.364 3.570 0 40 CHAB CCC(=O)Nc1cc(F)ccc1NC(=O)OC(C)(C)C 71888086 SAMGDMSJANYIGY-UHFFFAOYSA-N 282.315 3.521 0 40 CHAB CCc1ccccc1N1N=C(C(=O)O)C[C@H]1c1ccccc1 71979029 FZCOGEFLVNAZDL-KRWDZBQOSA-N 294.354 3.641 0 40 CHAB CC(=O)N1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 72217354 GAMCJRGLXNCQPT-CYBMUJFWSA-N 278.421 3.656 0 40 CHAB CC(C)c1noc2ncc(-c3nnc([C@@H]4C[C@H]4C)o3)cc12 72274994 WDHNQSJUAKVMCP-PSASIEDQSA-N 284.319 3.520 0 40 CHAB CN1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72348576 FYVKJQSHEDNGSG-OAHLLOKOSA-N 284.378 3.621 0 40 CHAB Clc1cccc(CN2CCCC[C@@H]2c2ccncn2)c1 72385349 AUELQCJDFPNPQM-MRXNPFEDSA-N 287.794 3.857 0 40 CHAB O=C(Nc1ccccc1F)Nc1cccc2[nH]ccc12 75583676 CZVBBKTXPNRURD-UHFFFAOYSA-N 269.279 3.951 0 40 CHAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2C(C)(C)C 79478425 JDGPFDHENDZSED-NSHDSACASA-N 267.398 3.886 0 40 CHAB O=C(CCC1CCCC1)Nc1cc(-c2ccncc2)no1 96183273 YHMLCRISKDKMHM-UHFFFAOYSA-N 285.347 3.646 0 40 CHAB Cc1c(NC(=O)c2cscn2)cccc1C(F)(F)F 97015209 VDDHJMKVGYVCIB-UHFFFAOYSA-N 286.278 3.723 0 40 CHAB CCOC(=O)c1nc(Nc2ccccc2C)sc1C 161600852 BYPPKPVEJRLTPZ-UHFFFAOYSA-N 276.361 3.680 0 40 CHAB CC[C@@H](C)C(=O)c1c(F)c(F)c(F)c(F)c1F 169168035 RFQXVLGMCNDENK-SCSAIBSYSA-N 252.182 3.611 0 40 CHAB Cc1ccc2ccccc2c1[C@@H](O)c1ccc(N)cc1 226294576 GKRULBFTHNWURN-SFHVURJKSA-N 263.340 3.812 0 40 CHAB Cc1nc(OCc2ccccc2)c2ccccc2n1 346116 MOOFDTSQAZINTG-UHFFFAOYSA-N 250.301 3.517 0 40 CHAB Cc1c(C(=O)Oc2ccc(C=O)cc2)oc2ccccc12 466425 GWHGPTSCVAHRBI-UHFFFAOYSA-N 280.279 3.773 0 40 CHAB COc1cccc2sc(NC(=O)c3cccs3)nc12 1514009 ZTZQLIRZWZVAPR-UHFFFAOYSA-N 290.369 3.619 0 40 CHAB CCOC(=O)Nc1ccc2c(c1)Cc1cc(N(C)C)ccc1-2 1730704 YGEUHGWAXIJWBQ-UHFFFAOYSA-N 296.370 3.892 0 40 CHAB COc1ccccc1CCC(=O)c1cccc(F)c1 2516459 QMWSWVQLVGOBFZ-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB O=C1c2ccc(Cl)cc2C(=O)N1CC1CCCCC1 3100115 VWNCUPBKSUZJKK-UHFFFAOYSA-N 277.751 3.516 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 3983870 MUMGGOZAMZWBJJ-SGYMCOKNSA-N 288.431 3.879 0 40 CHAB biogenic O=C(O)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 4244724 LTERWCBGUKUIRZ-ZDUSSCGKSA-N 261.708 3.578 0 40 CHAB C[C@H](c1ccccc1)[C@H]1OC[C@H](c2ccccc2)O1 4723108 HDPAECJQAWSMGH-XYPHTWIQSA-N 254.329 3.904 0 40 CHAB CCn1c(NCc2ccc(C)cc2)nc2ccccc21 4741712 ZUVIDYIQALKSJM-UHFFFAOYSA-N 265.360 3.977 0 40 CHAB CC(C)n1c(-c2cccs2)nc2ccccc2c1=O 5301987 ACFVHJZPKKLGJO-UHFFFAOYSA-N 270.357 3.706 0 40 CHAB Cc1cccnc1NC(=O)c1ccc(C(C)C)cc1 5394651 RLAMNHCNRLBDRH-UHFFFAOYSA-N 254.333 3.766 0 40 CHAB Cc1cc(Cl)ccc1NC(=O)Cc1ccc(F)cc1 5577957 CJYJYJDJBZNCGZ-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CCn1c(Nc2ccc(OC)cc2)nc2ccccc21 6871254 BLEBMHIUWZLVJD-UHFFFAOYSA-N 267.332 3.808 0 40 CHAB Cc1sc(NC(=O)C2CC2)nc1-c1ccc(F)c(F)c1 6994112 UMAOEKHCFUXVDS-UHFFFAOYSA-N 294.326 3.745 0 40 CHAB O=C(NCCc1ccccc1F)c1cc2ccccc2o1 7538897 RRDGWZOMPMMKSW-UHFFFAOYSA-N 283.302 3.544 0 40 CHAB CCCCC[C@@H](C)NC(=O)c1ccc2cc[nH]c2c1 8879285 XTAMJMHUYZLTGD-GFCCVEGCSA-N 258.365 3.867 0 40 CHAB biogenic Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)C 8937878 PXEVZVQVERWKGU-UHFFFAOYSA-N 290.366 3.912 0 40 CHAB Cc1ccc(CNc2ncnc3ccsc23)cc1 9050021 PGNRFOCWZSGPGN-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB O=C(CCCc1cccs1)Nc1nc2ccccc2[nH]1 9116091 OHUSGSFXOGUCCW-UHFFFAOYSA-N 285.372 3.586 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c(O)c1 9337075 JMXYSSKNGBFKKP-CHWSQXEVSA-N 285.318 3.582 0 40 CHAB Cc1ccc(CCC(=O)N(C)c2ccccc2)cc1 10286933 IEFCLQWSUOETOC-UHFFFAOYSA-N 253.345 3.591 0 40 CHAB Cc1nc2c(c(Nc3ccc(C)c(C)c3)n1)CCC2 11907752 ZYHLVLWBLFMHRA-UHFFFAOYSA-N 253.349 3.634 0 40 CHAB O=C(Nc1ccccc1F)c1cc(-c2ccccc2)on1 11916727 ZSYSHMYXTFOQJS-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB C[C@H]1Cc2ccccc2N1Cc1cnn(-c2ccccc2)c1 12484650 MWURTLYFZVMMDO-HNNXBMFYSA-N 289.382 3.824 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2C)cc1 12763828 XYTXTXBLKBFLMI-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCc2ccccc21 12779908 LBULOPKVXGXFRL-MRXNPFEDSA-N 287.309 3.724 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCc2ccccc21 14013378 NHJYTBJHUCHQAD-SFHVURJKSA-N 295.382 3.742 0 40 CHAB CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 15619967 ZTFPEABXRXMLFE-ZDUSSCGKSA-N 253.345 3.941 0 40 CHAB CCCCn1nc(C)c2c(-c3ccccc3)cc(=O)[nH]c21 17008645 KWPZTYAISOCWNE-UHFFFAOYSA-N 281.359 3.500 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(OC)c1 20450838 WUAHUYAGKGVHKR-ZDUSSCGKSA-N 299.370 3.664 0 40 CHAB O=C(Nc1ccccc1)c1cccc2cccc(O)c12 20523322 BEHWAUAOFVTKMJ-UHFFFAOYSA-N 263.296 3.798 0 40 CHAB CN(Cc1ncc(Cl)n1C)[C@H]1CCCc2ccccc21 26815916 XBGZPRYITCOORV-AWEZNQCLSA-N 289.810 3.583 0 40 CHAB O=C(NCc1ccccn1)c1sccc1-c1ccccc1 28200038 DHYMZPAZWSRJOG-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB CC(=O)c1ccccc1NCc1nc(-c2ccsc2)no1 36395013 ZFWDQTITWLUUIQ-UHFFFAOYSA-N 299.355 3.613 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Cc2c(C)[nH]c3ccccc23)o1 40070111 UCHFHPODDZGKNL-CYBMUJFWSA-N 296.370 3.798 0 40 CHAB CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2C)cc1C 40493884 GUEJQAPEMMRBDC-UHFFFAOYSA-N 296.370 3.823 0 40 CHAB Cc1cccnc1C(=O)c1ccc(Cl)c(Cl)c1 45028698 HFTWJLDLMAYNPA-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB Fc1cccc(CNC(=S)Nc2cccc(Cl)c2)c1 46415876 MISVSQFRWUEKJB-UHFFFAOYSA-N 294.782 3.966 0 40 CHAB CCN(C[C@H]1CCOC1)C(=O)Nc1c(C)cc(C)cc1C 47323682 JZHBUNYOIXVVPJ-OAHLLOKOSA-N 290.407 3.502 0 40 CHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2C(C)C)cc1 54683433 ABPCDRAIQSAAIM-KRWDZBQOSA-N 296.370 3.670 0 40 CHAB O=C(O)c1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21 55180357 NICOKRPJPBMVCX-GBOPCIDUSA-N 297.398 3.986 0 40 CHAB COc1cccc(C[S@](=O)Cc2ccc(Cl)cc2)c1 58132320 VSCOHDPSECLNHT-IBGZPJMESA-N 294.803 3.798 0 40 CHAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1 67657330 USSHOGPDSSOWOV-UHFFFAOYSA-N 289.338 3.704 0 40 CHAB CSc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72216879 XREODCDWPOGYES-LBPRGKRZSA-N 294.420 3.876 0 40 CHAB CSc1c(Cl)cccc1NC(=O)N1CCCC1 95403994 WPPVRAHWFGGJCU-UHFFFAOYSA-N 270.785 3.690 0 40 CHAB CCOC(=O)c1ccc(C(C)(C)C)cc1OCC 95915994 XUPOSTMQBRIZME-UHFFFAOYSA-N 250.338 3.560 0 40 CHAB COCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 112353227 BCIKRNBUXQQHKU-UHFFFAOYSA-N 288.218 3.852 0 40 CHAB CC[C@H](N[C@@H](C)c1ccc(C)s1)c1cnn(C)c1 195540559 BUAUKORTRXMEAI-AAEUAGOBSA-N 263.410 3.592 0 40 CHAB Cc1ccnc(N(C(=O)OC(C)(C)C)N2CCCCC2)c1 199720433 IMDJXBCOSYKVDA-UHFFFAOYSA-N 291.395 3.532 0 40 CHAB O=C(O)c1ccnc([C@H]2CCCCC23SCCS3)c1 217630229 PEJXCOWTPYZVPA-LLVKDONJSA-N 295.429 3.614 0 40 CHAB COc1cccc(NC(=O)CCc2ccc(OC)c(C)c2)c1 222564542 ITRSVWVSBQZIPY-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB CCCCNCc1ccn([C@H](C)c2ccccc2)c1 223694727 ZHGNGKWOZWWSPC-OAHLLOKOSA-N 256.393 3.987 0 40 CHAB CC[C@H](C)Oc1ccc2c(c1)c(C=O)c(C)n2CC 223754531 ZMRKAQXBQIUMPJ-NSHDSACASA-N 259.349 3.959 0 40 CHAB CC[C@@H](C)n1ccc(NCc2cn(C(C)C)nc2C)n1 256053704 SNDMYJMCNVZXPF-GFCCVEGCSA-N 275.400 3.552 0 40 CHAB CC1(C)Cc2cccc(CCNCc3ccccc3)c2O1 521398214 XQGVINHEJBMYSD-UHFFFAOYSA-N 281.399 3.732 0 40 CHAB CC(C)(C)OC(=O)n1ncc2c(C3CC3)cccc21 1857793662 XLMFRBOGKXGKSI-UHFFFAOYSA-N 258.321 3.697 0 40 CHAB O=C(O)c1cc(C2CC2)nc2c(OC(F)(F)F)cccc12 1857793926 XKDZETKHINAMPN-UHFFFAOYSA-N 297.232 3.709 0 40 CHAB O=C(NC1CCCCC1)c1ccc(O)c2ccccc12 79216 NZOFQNGIOKGOLY-UHFFFAOYSA-N 269.344 3.608 0 40 CHAB S=c1[nH]c(-c2ccccc2)nn1-c1ccccc1 405915 ZUEBSLXIWLEWET-UHFFFAOYSA-N 253.330 3.597 0 40 CHAB biogenic CCC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 424225 ITEWOLWUJSEFON-UHFFFAOYSA-N 271.099 3.693 0 40 CHAB O=C(Cc1ccccc1)Nc1ccccc1Br 514152 MOFWHBVECBOVGC-UHFFFAOYSA-N 290.160 3.630 0 40 CHAB CC(C)C[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 1006434 MGOIQDHTVPXWRX-ZDUSSCGKSA-N 291.416 3.553 0 40 CHAB COc1ccc(C)cc1NC(=O)Cc1ccccc1Cl 2633730 WBBGIXRMWWQTNJ-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB Brc1cccc(CSC2=NCCS2)c1 2746455 MPYYYWZKFAYAJY-UHFFFAOYSA-N 288.235 3.785 0 40 CHAB CCCCCC[C@@]1(C)N=C(S)N(c2ccccc2)N1 3058571 SICFWIJQWWRONM-HNNXBMFYSA-N 277.437 3.984 0 40 CHAB O=C(Nc1ccccc1)c1cc(F)c(F)cc1Cl 3481033 VAPJLMBZMQNPMG-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB N=C(N)Sc1cn(Cc2ccccc2)c2ccccc12 3866080 VSILOEHJANCMNQ-UHFFFAOYSA-N 281.384 3.675 0 40 CHAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 4976608 KQEHQHBPLDBFHV-UHFFFAOYSA-N 298.382 3.629 0 40 CHAB CC(=O)OC[C@@]12COC(=C(C)C)[C@@H](C(C)=C[C@H]1C)[C@H]2C 5527930 XPUXDIZNNJHBTE-LNCBFAARSA-N 278.392 3.708 0 40 CHAB biogenic Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)cc1 6430737 YNHGEVSBZWJGKW-UHFFFAOYSA-N 294.350 3.523 0 40 CHAB CC1=C(CC[C@]2(C)OC(=O)N(C)[C@@]2(C)O)C(C)(C)CCC1 6721913 DZOGJWVBHKHVCK-IRXDYDNUSA-N 295.423 3.842 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)NC2CCCC2)c(C)c1 6916972 XWFNYAYKUTVCEX-ZDUSSCGKSA-N 277.433 3.843 0 40 CHAB CC[C@@H](Oc1ccccc1)C(=O)NC(C(C)C)C(C)C 8478248 CDZKCWKKNWFPRL-OAHLLOKOSA-N 277.408 3.641 0 40 CHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC1(Cl)Cl 9513140 RHFDIZBDUDMRQI-NSHDSACASA-N 286.202 3.944 0 40 CHAB CCCCOCCCNC(=O)C12CC3CC(CC(C3)C1)C2 9553722 JKBLCFWYAGIHMF-UHFFFAOYSA-N 293.451 3.526 0 40 CHAB CCc1ccc(CC(=O)Nc2ccc(C)cc2)cc1 10701384 XQKIXHMIRQLBAX-UHFFFAOYSA-N 253.345 3.739 0 40 CHAB Fc1ccc(F)c(-c2cn3cc(Cl)ccc3n2)c1 12627577 ZRLRITJIDNVXTP-UHFFFAOYSA-N 264.662 3.933 0 40 CHAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)s1 12921934 CKHKJOSJHYSLQP-AWEZNQCLSA-N 299.395 3.928 0 40 CHAB COc1cccc(NC(=O)NC2CCCCCCC2)c1 13048894 LSDGKZSLZIIDBQ-UHFFFAOYSA-N 276.380 3.930 0 40 CHAB Cc1ccc([C@H]2CN(C)C[C@H]2C(=O)c2ccc(F)cc2)cc1 13147148 BYKGNHGDMQKYEE-QZTJIDSGSA-N 297.373 3.662 0 40 CHAB Fc1ccc(CNCc2c(F)cccc2Cl)cc1 16383729 KEKZAHSOBQCHMN-UHFFFAOYSA-N 267.706 3.908 0 40 CHAB O=S(=O)(Nc1cccc2ccccc12)C1CCCC1 19075075 UPSQTNBYBAGQSD-UHFFFAOYSA-N 275.373 3.524 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2c(s1)CCC2 24442323 IYPROEQYSCKQFI-LLVKDONJSA-N 283.396 3.828 0 40 CHAB CCCn1nccc1C(=O)Nc1ccc(C(C)C)cc1 28239899 RELSSMJPKAKXKS-UHFFFAOYSA-N 271.364 3.669 0 40 CHAB Cc1ccc(C(=O)CSc2nc(C)cs2)cc1 30951389 YSBQMCHDHOMLOH-UHFFFAOYSA-N 263.387 3.735 0 40 CHAB O=C(NCc1ccccc1Cl)c1ccc2cc[nH]c2c1 32487974 WICFQUWHLWLQJM-UHFFFAOYSA-N 284.746 3.751 0 40 CHAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCO1 35208021 PYYQCBBQDMIHRR-XCBNKYQSSA-N 294.704 3.733 0 40 CHAB CCCCOc1cccc(CNC(=O)c2cccs2)c1 40122182 FPVDTTCUWFOWKQ-UHFFFAOYSA-N 289.400 3.857 0 40 CHAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CC=CCC1 40159471 DCSGQHIZXFMOGN-ZDUSSCGKSA-N 297.320 3.720 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)CCCc1cccs1 40161051 YOMWNDNDIYKTRJ-TZMCWYRMSA-N 265.422 3.766 0 40 CHAB O=C(Nc1cccnc1)N1CCC[C@H]1c1cccs1 40474193 GQOZCIHLRJOOFN-LBPRGKRZSA-N 273.361 3.512 0 40 CHAB Clc1ccc(O[C@H]2CCNC2)c(-c2ccccc2)c1 42775508 LRDSGZUQJNVFRL-AWEZNQCLSA-N 273.763 3.748 0 40 CHAB CCOC(=O)CCC(=O)c1c(C)c(C)c(C)c(C)c1C 43214444 QXECWRSPWQQGBC-UHFFFAOYSA-N 276.376 3.755 0 40 CHAB CCN(C)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1 57995222 MWCAFIDAJHWFNU-UHFFFAOYSA-N 296.414 3.723 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)cc1 67738978 NEOUSXRRBUMOKM-UHFFFAOYSA-N 291.734 3.697 0 40 CHAB CCCCC[C@H](C)NC(=O)NCCCc1ccccc1 71793381 GSXUBFLYVGYFRS-HNNXBMFYSA-N 276.424 3.887 0 40 CHAB CCCCS[C@H](C)C(=O)N1CCC[C@@H]1c1cccn1C 71904764 LBOOIJFRBHWYRG-UKRRQHHQSA-N 294.464 3.610 0 40 CHAB CCSc1ccc([C@@H]2CCCN2C(C)C)cn1 72217120 RGVJOHMSTSIWDR-ZDUSSCGKSA-N 250.411 3.739 0 40 CHAB CC(C)(C)Sc1ccc([C@H]2CCCCN2C=O)cn1 72217394 QYZRKGUXGPRHQW-CYBMUJFWSA-N 278.421 3.656 0 40 CHAB CCN1CC[C@H](N(C)Cc2ccccc2Cl)[C@H](C)C1 76093211 NFWGKGMZTXRFBL-CJNGLKHVSA-N 280.843 3.502 0 40 CHAB Cc1ccccc1CSCC(=O)N(C)Cc1ccccc1 78582489 UYPBNLNLSJULBN-UHFFFAOYSA-N 299.439 3.887 0 40 CHAB CCCCc1ccc(C2(O)CCN(C(C)C)CC2)cc1 79030370 UMCAHWKVBUNZSN-UHFFFAOYSA-N 275.436 3.721 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccc(F)c(Cl)c2)c1 89064223 HGOJPAIJSPIZKA-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB Nc1c(Br)cc(Cl)cc1OC(F)(F)F 95093284 WYCAACPCJVGVOP-UHFFFAOYSA-N 290.466 3.583 0 40 CHAB in-vitro CC[C@@H](NCc1cc(C)on1)c1cc(F)ccc1F 95420851 NIDSUDOZCKXXFP-CQSZACIVSA-N 266.291 3.502 0 40 CHAB C[C@@H]1C[C@@H](C)CN(c2cccc(Br)c2)C1 95915525 IBSOWDJIYWZHMS-GHMZBOCLSA-N 268.198 3.931 0 40 CHAB Cc1cnc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)o1 95985745 PCJOFXHPTRKLID-CQSZACIVSA-N 293.370 3.896 0 40 CHAB CCCC[C@@H]1OC[C@]2(COC(C)=O)[C@H](C)C=C(C)[C@@H]1[C@H]2C 100740806 PTOBLQWYQHCBCQ-AGTSVGGPSA-N 294.435 3.973 0 40 CHAB biogenic C[C@H](NC(=O)c1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102181830 QZSIDWSBUWMMLM-MNXVOIDGSA-N 277.795 3.895 0 40 CHAB Cc1cc(OCc2csc([C@H]3CCCO3)n2)cc(C)n1 128175898 CAKNTSNBPGSMLT-CQSZACIVSA-N 290.388 3.585 0 40 CHAB Cc1nc(CC(C)C)oc1C(=O)O[C@@H](C)c1nccs1 195579044 QNDSWGORAHBFKP-JTQLQIEISA-N 294.376 3.556 0 40 CHAB COC(=O)[C@H](C(C)C)N1c2ccccc2[C@@H](C)CC1(C)C 223211925 FAXJDZLMXHRLCK-BBRMVZONSA-N 289.419 3.976 0 40 CHAB CCC(C)(C)NC(=S)Nc1ccc(OC)c(Cl)c1 225644196 HDJQSYHHPGPETC-UHFFFAOYSA-N 286.828 3.824 0 40 CHAB CC(C)(C)CC(=O)NCc1ccc(-c2ccco2)o1 575606299 UOZNUNRAJGIEOA-UHFFFAOYSA-N 261.321 3.592 0 40 CHAB COc1ccc(N2C(=O)CS[C@@H]2c2cccs2)cc1 99280 QBICGKPVLXXOFT-CQSZACIVSA-N 291.397 3.535 0 40 CHAB CC(C)C(=O)Nc1nc2c(s1)CCc1ccccc1-2 418054 JTBVXVIWBDAPJT-UHFFFAOYSA-N 272.373 3.503 0 40 CHAB O=C(c1ccccc1)[C@H]1CCCCN1C(=O)c1ccccc1 1614443 FYKXWTQVVIILKN-QGZVFWFLSA-N 293.366 3.564 0 40 CHAB CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)c1ccccc1 1649317 FNAJCZZMYFOYOU-XNTDXEJSSA-N 296.322 3.519 0 40 CHAB O=C(Nc1ccccc1)N1[C@H]2c3ccccc3CC[C@H]21 1708277 DILHHYVHNYYOIG-IEAUQHRDSA-N 264.328 3.590 0 40 CHAB CCCCCC(=O)NC(=S)Nc1ccccc1Cl 2052114 LFTFEBWSJXOKNZ-UHFFFAOYSA-N 284.812 3.733 0 40 CHAB CCCCCNCc1ccc(Br)cc1 2178102 WSUVOVCLWYRRDE-UHFFFAOYSA-N 256.187 3.729 0 40 CHAB CCCCSc1nnc2c(n1)[nH]c1ccc(C)cc12 2981613 ZZSXJUVJHDOMPQ-UHFFFAOYSA-N 272.377 3.707 0 40 CHAB C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 3446748 BROFSILBLFXQCJ-JTQLQIEISA-N 277.726 3.970 0 40 CHAB CCCCC[C@H]1OC[C@]2(CO)[C@@H](C)C=C(C)[C@H]1[C@H]2C 4027096 KWAQTWWTBCDMPK-JZAWBGDQSA-N 266.425 3.793 0 40 CHAB CCC(CC)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 4112826 JKOIZULCUPQCLP-UHFFFAOYSA-N 294.420 3.673 0 40 CHAB O=C(O)c1ccc(NC(=O)c2cccc3ccccc23)cc1 4201464 OGVHIWGQLIDGSN-UHFFFAOYSA-N 291.306 3.790 0 40 CHAB O=C(Nc1ccccc1)C1=C(Nc2ccccc2)CSC1 4773542 XWPDPLDAULKTLE-UHFFFAOYSA-N 296.395 3.738 0 40 CHAB Cc1ccc([C@@]2(c3ccccc3)O[C@H]3OC=C[C@H]32)cc1 5554047 IKZQQMRJOBQRKS-KZNAEPCWSA-N 264.324 3.755 0 40 CHAB Cc1cccc(NC(=O)Cc2ccccc2Cl)c1 5558325 LJJYYLQQWXVYCC-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1 6065727 XBLGNMANZXQPLH-UHFFFAOYSA-N 279.295 3.699 0 40 CHAB CCc1ccc(NC(=O)c2ccc(Cl)nc2)cc1 8080728 OQICUBUZKGQRDF-UHFFFAOYSA-N 260.724 3.550 0 40 CHAB CCOC(=O)Cn1c(-c2cccs2)cc2ccccc21 8912224 XFNRGIMUAAQWDS-UHFFFAOYSA-N 285.368 3.933 0 40 CHAB Cc1cc(NC(=O)CCCSc2ccc(F)cc2)no1 10218132 WDKOALZPROEJPS-UHFFFAOYSA-N 294.351 3.633 0 40 CHAB Cc1[nH]c2ccc(C(=O)N[C@@H](C)c3ccncc3)cc2c1C 12527964 NAXOMRZGBYNEJZ-ZDUSSCGKSA-N 293.370 3.671 0 40 CHAB CC(=O)c1ccc(C(=O)NC2CCCCCCC2)s1 13011843 UOQBHHGOZIWXME-UHFFFAOYSA-N 279.405 3.793 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1 13710400 VTUWREWFLHJQGL-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 14199341 FGDYPJXPFDVLJO-YPMHNXCESA-N 287.359 3.713 0 40 CHAB Nc1cccc(-c2nc(Cc3ccc(Cl)cc3)no2)c1 19771962 ROXRWVRMBYICPV-UHFFFAOYSA-N 285.734 3.563 0 40 CHAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1O 19840517 XLMJSLBIADRICU-UHFFFAOYSA-N 297.232 3.543 0 40 CHAB C[C@@H](NCc1ccc(F)cc1)c1nc2ccccc2n1C 19943945 YKMHIZYYUQRAAT-GFCCVEGCSA-N 283.350 3.563 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1C 20193782 BPXTXTBKFWSYMA-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB c1ccc(-c2c[nH]c3c(N4CCCCC4)ncnc23)cc1 21658319 HIYZKZUFHJQOOO-UHFFFAOYSA-N 278.359 3.615 0 40 CHAB O=c1oc2cccc(O)c2cc1[C@@H]1CCc2ccccc2C1 26891920 FSLFRCJTFQJXBD-CQSZACIVSA-N 292.334 3.771 0 40 CHAB CCCCNC(=O)Nc1nc2ccc(OCC)cc2s1 28226235 YFEDMIZELCSJQO-UHFFFAOYSA-N 293.392 3.617 0 40 CHAB CCCCNc1nn2cc(-c3ccccc3)nc2s1 29587646 CQYNSRCDOYLFJP-UHFFFAOYSA-N 272.377 3.670 0 40 CHAB CC[C@@H](C)C(=O)NCc1ccnc(Oc2ccccc2)c1 32931118 ZGOPIDRNEFKLHL-CYBMUJFWSA-N 284.359 3.536 0 40 CHAB Cc1ccc(-c2nc(C)c(C(=O)NC(C)(C)C)s2)o1 32967549 YYPUUXJMGREKOX-UHFFFAOYSA-N 278.377 3.548 0 40 CHAB C[C@H](Oc1ccccc1)C(=O)N1CCSc2ccccc21 32997921 ILEQOPIJKUAEHG-ZDUSSCGKSA-N 299.395 3.593 0 40 CHAB CCc1cccc2sc(NCCCn3ccnc3)nc12 34936045 TYPHLSGMMOKZNT-UHFFFAOYSA-N 286.404 3.557 0 40 CHAB CC[C@H](NC(=O)c1ccccc1OC)c1ccccc1 36562661 VKIHNHBFSAXRHZ-HNNXBMFYSA-N 269.344 3.576 0 40 CHAB C[C@@H](NC(=O)C1CCC1)c1ccc(OC(F)(F)F)cc1 40074328 KKPOIPAJQHQKQX-SECBINFHSA-N 287.281 3.563 0 40 CHAB c1ccc(CN2CC[C@@H](Nc3nc4ccccc4o3)C2)cc1 41817346 QAMVXNUZKMRPQD-OAHLLOKOSA-N 293.370 3.514 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)CCCC1CCCCC1 45000132 VINIZNBTVNUDIS-UHFFFAOYSA-N 277.412 3.726 0 40 CHAB CN(C)C(=O)c1ccccc1SCc1ccsc1 48324453 SRIPHYNUPSRFDY-UHFFFAOYSA-N 277.414 3.742 0 40 CHAB CC(C)(C)C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 48326468 LBMXIAHPLFEAIA-GJZGRUSLSA-N 293.382 3.598 0 40 CHAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)C(C)C)ccc1Cl 48628257 KDPRXYIZCKAOCD-NWDGAFQWSA-N 283.799 3.576 0 40 CHAB CC1CCN(c2cc3sc(N)nc3cc2Cl)CC1 57332340 OAMKTPJZTAIDEL-UHFFFAOYSA-N 281.812 3.768 0 40 CHAB c1ccc(CN2Cc3ccccc3N3CCC[C@H]23)cc1 59022337 UHJYLWWXVLLREL-GOSISDBHSA-N 264.372 3.629 0 40 CHAB biogenic Cc1cc(S)ncc1[C@@H]1CCCCN1C(C)C 72218340 KHBBNNUVICZPPS-ZDUSSCGKSA-N 250.411 3.614 0 40 CHAB CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O 93487870 VTCNKQPZPFNZDJ-KBPBESRZSA-N 295.423 3.925 0 40 CHAB CCOC(=O)CCCCOc1cc(F)ccc1Cl 95734008 YPLHOADEQFRTFC-UHFFFAOYSA-N 274.719 3.591 0 40 CHAB CC(C)[C@H]1COC2(CCN(Cc3cccs3)CC2)C1 96047898 QPMSFUGQSTYCKY-CQSZACIVSA-N 279.449 3.775 0 40 CHAB Cc1ccc(C)c(NCc2nc(-c3cccs3)n[nH]2)c1 158622878 VRDDHWKIYQVLJP-UHFFFAOYSA-N 284.388 3.762 0 40 CHAB COc1ccc(CCC(=O)NCc2ccccc2C)cc1C 222837173 JUSUHXMKFZFAGL-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB COc1ccc(NC(=O)c2cc(C)c(C)cc2C)c(OC)c1 225639187 YIQSZNLFFMJGLM-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB COc1ccc([C@H](CC(C)C)NC(=O)C(C)(C)C)cc1 225751432 PSKGCSPESXPUJY-HNNXBMFYSA-N 277.408 3.945 0 40 CHAB Cc1ccc(C(=O)[C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 248134152 CBJIKKHQXWOTES-HBUWYVDXSA-N 270.372 3.819 0 40 CHAB Cc1ccc(Oc2cccc([C@H]3CCCN3)n2)cc1 257198298 YHXCJVCBKZSCPV-CQSZACIVSA-N 254.333 3.607 0 40 CHAB CCCN(c1cccc(Cl)c1Cl)[C@H](C)C(=O)O 260677599 IYSQHVPKQLRTCA-MRVPVSSYSA-N 276.163 3.683 0 40 CHAB CSc1cccc(Nc2ncnc3c2ncn3C2CC2)c1 1888909648 UZPXWZZKDPSTIB-UHFFFAOYSA-N 297.387 3.627 0 40 CHAB O=C(NCC1(c2ccsc2)CC1)c1ccc(Cl)s1 1888913985 ORTYAOQYLDGRBD-UHFFFAOYSA-N 297.832 3.925 0 40 CHAB O=Cc1cc2c(c3ccccc13)C(=O)c1ccccc1-2 1597681 PTTNRKGYKYQYSE-UHFFFAOYSA-N 258.276 3.864 0 40 CHAB C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 3446751 BROFSILBLFXQCJ-SNVBAGLBSA-N 277.726 3.970 0 40 CHAB O=C1OCC(c2ccc(Cl)cc2)=C1c1cccs1 3887042 DLJSREJYSFGHMC-UHFFFAOYSA-N 276.744 3.869 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)OC[C@@H]1CCCO1 5670807 GBRMREKKDDKYGB-VIFPVBQESA-N 290.146 3.721 0 40 CHAB CNCc1cc(Cl)ccc1OCc1ccccc1F 5910018 HYTFDCMTZCHTPS-UHFFFAOYSA-N 279.742 3.778 0 40 CHAB Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCCC[C@@H]1C 6790469 WCNBEXAGHDBVEF-FZMZJTMJSA-N 295.810 3.722 0 40 CHAB Cc1cc(C(=O)Oc2ccccc2Cc2ccccc2)on1 7780389 MAPPFYUMRUUZIK-UHFFFAOYSA-N 293.322 3.793 0 40 CHAB Cc1cc(-c2ccc(OCC(=O)O)cc2)nc2ccccc12 7847352 LSCOUSIYUCDXKY-UHFFFAOYSA-N 293.322 3.674 0 40 CHAB CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2)s1 7952512 VGDHVMYWMGVMRP-UHFFFAOYSA-N 293.775 3.534 0 40 CHAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)s2)c1 8304047 TXKUZERJSBKBCB-CMDGGOBGSA-N 285.368 3.911 0 40 CHAB CC(C)CCOc1cccc(C(=O)Nc2nccs2)c1 8567785 UALDMDKIQMZCEU-UHFFFAOYSA-N 290.388 3.820 0 40 CHAB Cc1c(C(=O)c2ccc3c(c2)OCCO3)oc2ccccc12 12854891 PTSCZXRFXWKWKT-UHFFFAOYSA-N 294.306 3.743 0 40 CHAB CC(=O)N1CCc2cc(-c3cc4cc(C)ccn4c3)ccc21 13227750 ZLXDGFZRESXHJV-UHFFFAOYSA-N 290.366 3.824 0 40 CHAB O=C(NCCCc1ccccc1Cl)c1ccccc1F 13668901 MMASPPTYAIFPOM-UHFFFAOYSA-N 291.753 3.842 0 40 CHAB CCc1ccccc1NC(=O)N[C@H](C)c1cccnc1 13744332 LTAFKGNKUAXQOY-GFCCVEGCSA-N 269.348 3.527 0 40 CHAB Brc1ccccc1Oc1ccccn1 19433222 SMNHOCXRZOGARB-UHFFFAOYSA-N 250.095 3.636 0 40 CHAB CCOC(=O)c1cnc2c(C)ccc(F)c2c1Cl 19808124 YFALHVWBJPIDGH-UHFFFAOYSA-N 267.687 3.512 0 40 CHAB COc1ccccc1C(=O)Nc1ccc(C)c2ncccc12 31091699 LEHXIVKIEPOTIO-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB O=C(C[C@H]1C=CCC1)N(Cc1ccc(F)cc1)C1CC1 32744777 CXHZYKIALVCNEX-ZDUSSCGKSA-N 273.351 3.673 0 40 CHAB COc1cccc(OC)c1C(=O)c1ccc(C)cc1C 37356716 IBJZIFWKTRAVEI-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB COc1cccc(C(=O)c2cccc(C(F)(F)F)c2)c1 37531868 ZFVDWEZJGAFOIX-UHFFFAOYSA-N 280.245 3.945 0 40 CHAB Cc1ccc([C@@H](O)c2ccccc2Br)cc1 39023530 JOXJJOHFXZJYAK-CQSZACIVSA-N 277.161 3.839 0 40 CHAB O=C(CSc1nccn1C1CC1)c1ccc(Cl)s1 40071093 AORLLKZKSQBIOS-UHFFFAOYSA-N 298.820 3.908 0 40 CHAB Cc1cc(Br)ccc1OCC[C@H]1CCCNC1 42773790 CORVFSZBCFMOHE-GFCCVEGCSA-N 298.224 3.526 0 40 CHAB CCOc1cccc(CNC(=O)Nc2ccc(F)cc2)c1 44845297 GZWVJPWAUMCSKM-UHFFFAOYSA-N 288.322 3.546 0 40 CHAB C[C@@H]1CCCCN1c1c(N)cc(Cl)cc1Cl 45958968 QDTFJGNCPWNNHY-MRVPVSSYSA-N 259.180 3.954 0 40 CHAB Nc1cccc(Cl)c1NC(=O)c1cccc(Cl)c1 50352342 GZVQWDQMRRVXAE-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB O=C(O)c1cn(Cc2ccc(F)cc2F)c2ccccc12 50885092 JZOVHOSFANXBPD-UHFFFAOYSA-N 287.265 3.666 0 40 CHAB CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2cccnc2)C2CC2)C1(C)C 53472444 TXYRIVDORJRCGG-IRXDYDNUSA-N 298.430 3.811 0 40 CHAB CCC[C@@H](C)NC(=O)CCc1ccc(Cl)cc1 54484778 LEKTYGQYGZZQNJ-LLVKDONJSA-N 253.773 3.577 0 40 CHAB COCC[C@H]1CCCCN1C(=O)c1cc(C)ccc1Cl 67885217 FHQGHCZQVQLKNZ-CYBMUJFWSA-N 295.810 3.680 0 40 CHAB CCCCN1CCC[C@@H]1c1cnc(N2CCCC2)cc1C 72218865 LFEOMRUEHDPPEB-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB FC(F)(F)c1nc2cccc(C(F)(F)F)c2[nH]1 76214040 GEHHIYGZVXHRAF-UHFFFAOYSA-N 254.133 3.601 0 40 CHAB CC[C@@H](CCO)NCc1ccc(-c2cccc(F)c2C)o1 77452801 MNFUDVXKVZVBME-ZDUSSCGKSA-N 291.366 3.645 0 40 CHAB C[C@H](N[C@@H](c1ccccc1)c1ccccn1)c1ccncc1 95349342 HDYGSCJCLQWHCD-KXBFYZLASA-N 289.382 3.917 0 40 CHAB OC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1 95936504 RWMDJQJCEISWRT-UHFFFAOYSA-N 295.426 3.992 0 40 CHAB CCCC[C@H](NC1CCOCC1)c1ccc(OC)cc1 96477073 YYJRKZNHUJMJJR-KRWDZBQOSA-N 277.408 3.695 0 40 CHAB CN(C(=O)CSCc1ccc(F)cc1)C1CCCCC1 98068417 OBJNCVQNIOMXSO-UHFFFAOYSA-N 295.423 3.850 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)c1 113943605 YIKXNWFNOPPSJH-CQSZACIVSA-N 277.408 3.559 0 40 CHAB COc1ccc(CNC(=S)c2ccc(Cl)cc2)cc1 137473975 ZJDLZEXSLIVNIT-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB Cc1ccc(C[C@H](OCc2ccccc2)C(=O)O)c(C)c1 225027440 PCZZUIJTSBHXEN-KRWDZBQOSA-N 284.355 3.516 0 40 CHAB Cc1ccsc1CCC(=O)N1CCC(=C2CC2)CC1 238869660 MOYOROMQDXHMHK-UHFFFAOYSA-N 275.417 3.702 0 40 CHAB CC[C@@H](C)OCCC(F)(F)C(F)(F)Br 1083809205 XYGRVETVFXWPGQ-ZCFIWIBFSA-N 281.087 3.815 0 40 CHAB Nc1cc(N)cc(-c2nc3cc4ccccc4cc3[nH]2)c1 253368 KDDOTAJTURSWEM-UHFFFAOYSA-N 274.327 3.548 0 40 CHAB Cc1nc2ccc(NC(=O)CCc3ccco3)cc2s1 24005793 NCUGPZJWBDNHBI-UHFFFAOYSA-N 286.356 3.769 0 40 CHAB C[C@@]12CCc3c(ccc4cc(O)ccc34)[C@H]1CC[C@@H]2O 2039578 RYWZPRVUQHMJFF-FGTMMUONSA-N 268.356 3.736 0 40 CHAB C[C@]12CC[C@H]3[C@H](CC[C@H]4CC(=O)C[C@@]43C)[C@@H]1CC[C@@H]2O 4280242 ZRIOQYDHRPOBLF-AAHKLFHWSA-N 276.420 3.569 0 40 CHAB CC(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 6215342 BRJDVPIIHVEXTA-UHFFFAOYSA-N 266.300 3.762 0 40 CHAB COc1ccc(Cn2c(C)cc(=S)cc2C)cc1 6825407 LPIURVFOXUXOGM-UHFFFAOYSA-N 259.374 3.891 0 40 CHAB c1cncc(-c2[nH]ncc2-c2ccnc3ccccc23)c1 1502116 AOCUYJNCUIRZRW-UHFFFAOYSA-N 272.311 3.687 0 40 CHAB CC1(C)C[C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2O1 10542959 AZWZFCWRGUYOLK-OAHLLOKOSA-N 299.345 3.858 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@@H]21 35165366 HTLHYTGYDQWPRZ-GUYCJALGSA-N 282.387 3.963 0 40 CHAB Cc1ccc(NCc2ccc(C(=O)O)o2)cc1Cl 8729678 FEOJITOYEWVIBY-UHFFFAOYSA-N 265.696 3.552 0 40 CHAB CN(C)C(=S)c1cccc(OCc2ccccc2)c1 9188229 ZQVAGDNNMIFEDP-UHFFFAOYSA-N 271.385 3.503 0 40 CHAB CCOc1ccc(CNC(=O)Cc2cc(C)ccc2C)cc1 22535075 SQEWVBZSSYIVNU-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB CCCCNc1nc(Cl)nc2cc(OC)c(OC)cc12 11756088 JWAQAAMGSHFISA-UHFFFAOYSA-N 295.770 3.512 0 40 CHAB CC[C@@H](NC(=O)c1ccc(C)s1)c1ccccc1 2770145 XGHWVOGHIHIODL-CYBMUJFWSA-N 259.374 3.938 0 40 CHAB CC(C)CSc1nc(/C=C/c2cccs2)n[nH]1 12758534 VHDRPBFAOMIAAP-AATRIKPKSA-N 265.407 3.785 0 40 CHAB Cc1cccc(NC(=O)CNc2cccc3c2CCCC3)c1 3367402 AKALQJGLKJUHBB-UHFFFAOYSA-N 294.398 3.924 0 40 CHAB Cc1ccc(CNC(=O)N(C)Cc2cccs2)cc1F 9113318 VRFNGYMTNNRORK-UHFFFAOYSA-N 292.379 3.537 0 40 CHAB Cc1n[nH]cc1CN[C@H](CC(C)C)c1cccs1 65464969 OKBGTLFXEGZDDT-CYBMUJFWSA-N 263.410 3.657 0 40 CHAB CCC(C)(C)c1ccc(OCC2CCNCC2)cc1 20221690 ROJRAOPRCVJMSC-UHFFFAOYSA-N 261.409 3.753 0 40 CHAB O=C(NCCSc1ccc(Cl)cc1)[C@H]1CC=CCC1 14180884 UAYJBENPAQFYBY-LBPRGKRZSA-N 295.835 3.905 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1nnc(C(C)C)s1 4558846 PKPAADPFGPJLHP-SNVBAGLBSA-N 269.414 3.816 0 40 CHAB CC(=O)OCC[C@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]21C 5481114 WAZIVOKZWOLZGT-MVJTYMMSSA-N 296.451 3.933 0 40 CHAB Cc1cc(O[C@H](C)C(=O)NCCC(C)C)cc(C)c1Cl 14396861 MZXGHNRQBUXNEK-CYBMUJFWSA-N 297.826 3.886 0 40 CHAB Cc1nc(C)c(C(=O)Nc2ccc3c(c2)CCC3)s1 14664970 YRVOROHVRYJTDR-UHFFFAOYSA-N 272.373 3.501 0 40 CHAB O=C(c1ccc(F)cc1Cl)n1cnc2ccccc21 6700495 UYMREWOJHHCHMX-UHFFFAOYSA-N 274.682 3.517 0 40 CHAB COc1c(Cl)cc(C(=O)NCCC(C)C)cc1Cl 21896512 GDMHMCOPVQVDLX-UHFFFAOYSA-N 290.190 3.778 0 40 CHAB C[C@H](NCc1ccnn1C)c1ccc(Cl)cc1Cl 36901112 SETDZKBZLAYXIT-VIFPVBQESA-N 284.190 3.578 0 40 CHAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 36562635 NOWOAVIYYGYKIY-GPZRYRNASA-N 295.382 3.976 0 40 CHAB O=S(=O)(/C=C\c1ccc(Cl)cc1)c1ccccc1 31717129 FXYBLJJXHQXMTH-KHPPLWFESA-N 278.760 3.785 0 40 CHAB CCc1nn2c(C)c(-c3ccc(Cl)cc3)nc2s1 28539957 VWKFCZLTDRXPMN-UHFFFAOYSA-N 277.780 3.982 0 40 CHAB CNc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72212562 GQXHOCPFAXPEFT-KRWDZBQOSA-N 281.403 3.851 0 40 CHAB Cc1cc([C@H]2CCCCN2Cc2ccccc2)cnc1N 72218467 RJGYWBIHTYKHIT-QGZVFWFLSA-N 281.403 3.699 0 40 CHAB Cc1cc([C@@H]2CCCCN2CC(C)C)cnc1S 72218282 CMWQRSIEFRGMAU-AWEZNQCLSA-N 264.438 3.862 0 40 CHAB CCN(CC)c1ncccc1[C@@H]1CCCCN1C(C)C 72212916 JUEIRAGVQPAVOU-INIZCTEOSA-N 275.440 3.863 0 40 CHAB CCOC(=O)c1cccc(OCc2cccc(F)c2)c1 43503556 AXHMBSPQTKJOTH-UHFFFAOYSA-N 274.291 3.581 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NCC2CCCCC2)cc1C 224605336 IAEXDMIZFLRCQS-HNNXBMFYSA-N 289.419 3.767 0 40 CHAB CC(C)C(=O)c1c(F)cc(Br)cc1F 75902543 ZJZXDQCAOJPJMB-UHFFFAOYSA-N 263.081 3.566 0 40 CHAB CCC[C@@H]1Cc2cc(O)c(Cl)c(Cl)c2C1=O 40443193 JVIURHJLQOAEEY-ZCFIWIBFSA-N 259.132 3.854 0 40 CHAB Cc1ccc(Nc2ccc(C(=O)NC(C)C)cc2N)cc1C 225419253 SEEHNVWWLSSMLO-UHFFFAOYSA-N 297.402 3.767 0 40 CHAB COc1ccc(Cl)c(C(=O)Cc2cccs2)c1 575360841 PSDSWGOTAFLTQX-UHFFFAOYSA-N 266.749 3.836 0 40 CHAB CC[C@H](CO)N(Cc1cccc(F)c1F)c1ccccc1 72308107 URWFVWNWDLBKPU-CQSZACIVSA-N 291.341 3.742 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2c1cc(C(F)(F)F)ncn1 1775995568 VQDPKKPHZVZSEK-PHIMTYICSA-N 283.297 3.573 0 40 CHAB O[C@H](c1ccccc1)c1cc(Br)ccc1F 40244037 IHUOBAUBJGOIHI-CYBMUJFWSA-N 281.124 3.670 0 40 CHAB O=C(O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 20429461 SPIKZYQFSGJPKL-UHFFFAOYSA-N 272.266 3.992 0 40 CHAB in-vitro CCOc1ccc([C@@H]2CC(=O)c3ccccc3N2)cc1 169972094 FDIKYDATAGHAEO-INIZCTEOSA-N 267.328 3.825 0 40 CHAB O=C(NCc1cc(-c2cccs2)on1)C1CCCCC1 12725321 QCUGDERQVSXUOV-UHFFFAOYSA-N 290.388 3.600 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)Cc1c[nH]c2ccccc12 18124629 QWNGHIOWQDXLLU-AWEZNQCLSA-N 292.382 3.930 0 40 CHAB Cc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)c(C)c1 3536959 TYKFQRYHCZZVJB-OAHLLOKOSA-N 294.398 3.693 0 40 CHAB c1ccc(-c2nnc(N3CCc4ccccc4C3)s2)cc1 24052496 JADNAVUFTQDDET-UHFFFAOYSA-N 293.395 3.768 0 40 CHAB FC(F)(F)c1cccc(NCCc2ccncc2)c1 37491480 CUPIZYPJOYLDTI-UHFFFAOYSA-N 266.266 3.755 0 40 CHAB Cc1c(-c2cc(N)n(C)n2)sc2ccc(Cl)cc12 172387 FEDHLTNNVZWXRD-UHFFFAOYSA-N 277.780 3.846 0 40 CHAB CSCCC(=O)c1cc(F)cc(C(F)(F)F)c1 575360322 BMEKASVIGWAHBQ-UHFFFAOYSA-N 266.259 3.780 0 40 CHAB CC[C@@H]1CCC2=Nc3ccccc3[C@@H](C(=O)O)[C@@H]2C1 5663866 RUOLINNBZYUUEU-IXPVHAAZSA-N 257.333 3.767 0 40 CHAB CCc1ccccc1N[C@H]1OC(=O)c2ccccc21 91705 VDQZLARXLUFPKI-HNNXBMFYSA-N 253.301 3.530 0 40 CHAB Nc1c(-c2ccccc2)cnc2cc(-c3ccccc3)nn12 208700 LZGYTCYRPUXDRI-UHFFFAOYSA-N 286.338 3.646 0 40 CHAB CN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 347709 NDHAKDUHGJQXSW-UHFFFAOYSA-N 291.341 3.632 0 40 CHAB O[C@@H](c1ccccc1)[C@H](CN1CCCC1)c1ccccc1 346120 PVXJJESJYYEWMJ-MOPGFXCFSA-N 281.399 3.600 0 40 CHAB COc1ccccc1-c1nnc(SCC=C(C)C)n1C 32944868 QJGKOEARTNAAQC-UHFFFAOYSA-N 289.404 3.549 0 40 CHAB C[C@@H]1CCCCN1C(=O)Cc1coc2cc3c(cc12)CCC3 32968922 SKDJIUGEGTYZEO-CYBMUJFWSA-N 297.398 3.865 0 40 CHAB CCc1cccc(C)c1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102880068 IIFQVCIAENTDRG-AEGPPILISA-N 255.361 3.708 0 40 CHAB COc1ccc(/C=C/C(=O)Oc2ccc(C(C)=O)cc2)cc1 504527 QKGPMRUDWHYTBD-LFYBBSHMSA-N 296.322 3.517 0 40 CHAB Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)cn1 22416670 SPNUYIBVYDVYAA-INIZCTEOSA-N 286.350 3.656 0 40 CHAB Cc1ccc2ccccc2c1NC(=O)c1ccco1 1396305 VJXMXURGKISKQO-UHFFFAOYSA-N 251.285 3.994 0 40 CHAB O=C(O)[C@H](CC[C@@H](C(=O)O)c1ccccc1)c1ccccc1 1688203 ZEUFEFSWMUFREP-HZPDHXFCSA-N 298.338 3.503 0 40 CHAB CCNCC[C@H](CCC(C)C)c1ccc2c(c1)OCO2 2327276 FZIPBALKOKMKJE-AWEZNQCLSA-N 277.408 3.935 0 40 CHAB Cc1cc(=O)oc2cc(OC(C)C)c(Cl)cc12 3200548 LSPMUXZBGYOOEX-UHFFFAOYSA-N 252.697 3.542 0 40 CHAB O=C(Cc1cccs1)OCc1nc2ccccc2s1 3286019 SBIUPKUERPLOHE-UHFFFAOYSA-N 289.381 3.644 0 40 CHAB CO[C@H]1c2ccccc2C(=O)N1[C@H]1CCCc2ccccc21 4670557 NTTAACPSKCBGQB-HKUYNNGSSA-N 293.366 3.865 0 40 CHAB CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)O1 4750681 YFVRWYRQLXSZLE-UHFFFAOYSA-N 270.377 3.947 0 40 CHAB Cc1ccc(C)c(Nc2nc(C)c(C(=O)O)s2)c1 5448159 GBCNEUWWNDNOPJ-UHFFFAOYSA-N 262.334 3.510 0 40 CHAB COc1cc2c(cc1C/C=C\c1ccccc1)OCO2 5495913 PHTVQNCFMKBWFE-YVMONPNESA-N 268.312 3.680 0 40 CHAB Cc1ccc(C(=O)O[C@@H](CCN(C)C)c2ccccc2)cc1 6522473 KYIJYDFEPPKQOH-SFHVURJKSA-N 297.398 3.845 0 40 CHAB COc1ccccc1OCC(=O)c1c(C)[nH]c2ccccc12 8274261 VKEZYIPTEXIMPD-UHFFFAOYSA-N 295.338 3.747 0 40 CHAB O=C(/C=C/c1ccccc1)NCCSc1ccccc1 8361021 FWMDIEXWOAGRJX-VAWYXSNFSA-N 283.396 3.608 0 40 CHAB COc1cccc(CNC(=O)c2ccc(C(C)C)cc2)c1 8379236 CIFMJABVTMUGBU-UHFFFAOYSA-N 283.371 3.749 0 40 CHAB CCc1cccc2c(O)c(CN(CC)CC)c(C)nc12 9833121 PBSVTZQZFYESAO-UHFFFAOYSA-N 272.392 3.653 0 40 CHAB C[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccc(F)cc2)N1C 15083175 NCFAOYHCXKLQJD-AFAVFJNCSA-N 271.335 3.916 0 40 CHAB Cc1cccc(C(=O)NC[C@@H](C)c2ccccc2)c1C 15744954 DJMXFJRNBWDDFP-CQSZACIVSA-N 267.372 3.837 0 40 CHAB O=C(CCc1cccnc1)Nc1cccc(C(F)(F)F)c1 20894772 JFNGCGWLXHMCHA-UHFFFAOYSA-N 294.276 3.672 0 40 CHAB CCC(CC)NC(=O)N[C@H](c1ccccc1)C1CC1 23081127 IPTCDXBOUDTFBN-OAHLLOKOSA-N 260.381 3.626 0 40 CHAB CN(C(=O)c1cccc(F)c1)[C@@H]1CCCc2ccccc21 23151934 KEEJEVTULWAIHZ-QGZVFWFLSA-N 283.346 3.975 0 40 CHAB C[C@H](NC(=O)C1CCCC1)c1ccc2c(c1)CCCC2 28671692 KVOPNWPQOGOMQO-ZDUSSCGKSA-N 271.404 3.933 0 40 CHAB CCOP(=O)(/C=C/NC1CCCCC1)OCC 31319837 GCOCYGLSBKOTBU-ZHACJKMWSA-N 261.302 3.646 0 40 CHAB Cc1cc(C(=O)Nc2nc(C)c(C)s2)c2ccccc2n1 31813545 SUXZLSFYZHWIMS-UHFFFAOYSA-N 297.383 3.869 0 40 CHAB O=C(Cc1cccs1)c1c(F)c(F)c(F)c(F)c1F 38126113 ANJSRHVEGXTZIN-UHFFFAOYSA-N 292.228 3.869 0 40 CHAB Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCC[C@H]1C 40103562 FGWAFLGSGJQXJO-ZWNOBZJWSA-N 264.344 3.834 0 40 CHAB COc1ccc2c(NCc3ccc(Cl)cc3)ncnc2c1 41470184 PHDXEWVQIZJHAV-UHFFFAOYSA-N 299.761 3.904 0 40 CHAB COc1cc(C(F)(F)F)ccc1-c1ccncc1 47217281 XSASUXJGUVXYPQ-UHFFFAOYSA-N 253.223 3.776 0 40 CHAB in-vitro CCOc1ccc([C@@H](C)NC(=O)C(C)(C)C)cc1OCC 49940255 BHEDKCGZHFDFAG-GFCCVEGCSA-N 293.407 3.707 0 40 CHAB Nc1ccccc1-c1nc(-c2cc3ccccc3s2)n[nH]1 58167188 CHACGNBLCPDDPE-UHFFFAOYSA-N 292.367 3.936 0 40 CHAB CN(Cc1ncc(C(C)(C)C)o1)c1ccccc1F 60374373 HPKZAYCWPUBNCE-UHFFFAOYSA-N 262.328 3.748 0 40 CHAB Cc1cc(O)cc2c1[C@@H]1CC[C@@]3(C)[C@@H](O)CC[C@@H]3[C@@H]1C=C2 61852148 WCHXTGUTQVBYIP-ZQOJQMTGSA-N 284.399 3.998 0 40 CHAB CCCOc1ccccc1/C=C/C(=O)Nc1ccc(O)cc1 62715102 KNDOVUDQUBPWNR-KPKJPENVSA-N 297.354 3.833 0 40 CHAB O=C(NCc1ccccc1C(F)(F)F)c1ccccc1F 63238076 ZXZUSPKSVAFEGS-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB CCC(CC)NC(=O)c1sc2nc(C)nc(C)c2c1C 66962255 HZRGXMAPSSJRMH-UHFFFAOYSA-N 291.420 3.535 0 40 CHAB CC(C)(C)SCCNC(=O)Cc1cccc(Cl)c1 67925639 TVTQWKRYMRAGKS-UHFFFAOYSA-N 285.840 3.530 0 40 CHAB CC[C@@H](NC(=O)CCc1nccs1)c1ccc(C)cc1 69516823 HQUDEHIXGCZOHA-CQSZACIVSA-N 288.416 3.652 0 40 CHAB O=C(Cc1cccs1)c1cc(Br)cs1 70598620 YRWCJFPUNXHJRH-UHFFFAOYSA-N 287.203 3.998 0 40 CHAB O=CN1CCC[C@H]1c1cccnc1Sc1ccccc1 72217648 UHXRCRWQAYOVRT-HNNXBMFYSA-N 284.384 3.526 0 40 CHAB COc1ccc(CN2CCCC[C@@H]2c2ccnc(C)n2)cc1 72379984 VOGIJMSMTGLQJK-GOSISDBHSA-N 297.402 3.521 0 40 CHAB CC[C@H](C)NCc1ccc(Br)c(C)c1 85706617 WGQGDMXPICRIDX-JTQLQIEISA-N 256.187 3.646 0 40 CHAB CCC(=O)c1cc(F)cc(F)c1OCCC(C)C 95739938 PWAYJLDVIZJEKC-UHFFFAOYSA-N 256.292 3.982 0 40 CHAB COc1ccccc1C(=O)c1ccc(Cl)c(C)c1 95916526 ZOOGVRUOXXWKIG-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB CCS[C@H]1CC[C@@H](N(C)C(=O)c2sccc2OC)C1 96432365 YXXBLVTYILEIJL-MNOVXSKESA-N 299.461 3.503 0 40 CHAB COc1ccccc1CN[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 106619856 VEZVUKMNJLQGAY-HOSILWTGSA-N 259.393 3.610 0 40 CHAB NN[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl 161793212 GKSCWJZQEMZYLM-ZDUSSCGKSA-N 267.159 3.546 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)C1CCCCC1 216333257 PMVBTPOQISHLSL-QGZVFWFLSA-N 289.419 3.944 0 40 CHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCC2=CCCCC2)c1 224608910 HILGTZBJNYTDKT-HNNXBMFYSA-N 287.403 3.687 0 40 CHAB Cc1ccc(N=c2sc3ccccc3n2C)cc1 252672311 PWDGKJBZJNJIFU-UHFFFAOYSA-N 254.358 3.781 0 40 CHAB Fc1cccc(CNc2cnn(C3CCCC3)c2)c1F 256055093 ZDRRMJCKFXALOX-UHFFFAOYSA-N 277.318 3.889 0 40 CHAB CCN1c2cc(F)c(C(=O)O)cc2[C@H](C)CC1(C)C 260714212 BOMMBKHHKSXVJA-SECBINFHSA-N 265.328 3.636 0 40 CHAB CC1=CC(C)(C)N([C@H](C)C(=O)O)c2cc(Cl)ccc21 260722361 OAJIMVPWICFAGJ-SNVBAGLBSA-N 279.767 3.815 0 40 CHAB CCCCNC(=O)/C(=C/c1ccco1)c1ccccc1 409148169 OVVSYSWDLKCJGJ-DTQAZKPQSA-N 269.344 3.737 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(C)cc1Cl 575361435 FFRUFXBWHJJDAS-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB COC(=O)c1ccc(C(=O)CCC2CCCC2)c(C)c1 575362287 DXDRCNXWLUIWTA-UHFFFAOYSA-N 274.360 3.935 0 40 CHAB O=C(CCc1ccccc1)N1CC[C@@H](c2ccsc2)C1 675008361 UKQBIOLMZYFYEK-OAHLLOKOSA-N 285.412 3.697 0 40 CHAB CC(C)Oc1nc2cc(C(F)(F)F)ccc2cc1C(=O)O 685937089 KGKBMUXJWRRWMO-UHFFFAOYSA-N 299.248 3.739 0 40 CHAB Clc1ccccc1CNc1cc(C2CC2)ncn1 710102619 NNWVVDKIWMNYPE-UHFFFAOYSA-N 259.740 3.620 0 40 CHAB Cc1cccnc1NC(=O)c1ccccc1C(F)(F)F 73047487 AJRMJNLFCNTKBO-UHFFFAOYSA-N 280.249 3.661 0 40 CHAB CSc1cccc(NC(=O)CSc2ccccn2)c1 172938 FUHQDNBDVXWZET-UHFFFAOYSA-N 290.413 3.534 0 40 CHAB Cc1cc(C)cc(Nc2nc(N)c3ccccc3n2)c1 572953 MABJKUDZCVASSI-UHFFFAOYSA-N 264.332 3.572 0 40 CHAB CCCNC(=O)Nc1cccc(COCc2ccco2)c1 47602608 HKLMQJRMTQNYKW-UHFFFAOYSA-N 288.347 3.528 0 40 CHAB COC(=O)Oc1cc(Cl)c(Cl)cc1Cl 1600219 NEVIQKOGVKNCEC-UHFFFAOYSA-N 255.484 3.792 0 40 CHAB CC(C)CO[C@H]1CCC[C@@H](Oc2ccccc2)O1 1677138 WKHNXJDXZCRGQN-CABCVRRESA-N 250.338 3.591 0 40 CHAB O=C(OCc1ccccc1Cl)c1ccc(F)cc1 1948557 MDRZORPDEJBGMX-UHFFFAOYSA-N 264.683 3.836 0 40 CHAB Nc1ccc([C@H]2CCC[C@@H]2c2ccc(N)cc2)cc1 2035218 TWAZTWVKGNVLTN-IAGOWNOFSA-N 252.361 3.902 0 40 CHAB CCOC(=O)c1cccc(C(=O)CCc2ccc(C)cc2)c1 43212022 QYYJGGNRYLUROP-UHFFFAOYSA-N 296.366 3.987 0 40 CHAB CCOC(=O)CCCCC(=O)c1c(F)cccc1Cl 43214391 ADRBNENASDCHSV-UHFFFAOYSA-N 286.730 3.785 0 40 CHAB C[P@@](=O)(Nc1ccccc1)c1nc2c(s1)CCCC2 3173192 UEJJWZCUKBMNOQ-SFHVURJKSA-N 292.344 3.667 0 40 CHAB CC(C)CCNC(=O)CSCc1cccc(Cl)c1 6306698 MKULRQQYAGLVOW-UHFFFAOYSA-N 285.840 3.736 0 40 CHAB Cc1ccc(C(C)C)cc1[C@H](O)CN1CCCCC1 6522867 KYZKBGNXPBDDHT-QGZVFWFLSA-N 261.409 3.638 0 40 CHAB Cn1cc(/C=C/c2cc[n+](C)cc2)c2cc(Cl)ccc21 6719272 HQWXUJUGUGALEC-UHFFFAOYSA-N 283.782 3.827 0 40 CHAB Cc1cccc(NC(=S)N2CCn3cccc3[C@@H]2C)c1 7581996 NCGMHKIXSWTVQO-ZDUSSCGKSA-N 285.416 3.570 0 40 CHAB COc1ccc(CNCc2cc(C)c(C)cc2C)cc1OC 72659258 QZPGZMZNMOBDTB-UHFFFAOYSA-N 299.414 3.919 0 40 CHAB CCCCC(=O)Nc1ccccc1S[C@@H](CC)C(=O)O 8732837 YJYBPYSCHHTYNX-LBPRGKRZSA-N 295.404 3.771 0 40 CHAB O=C(NCc1nccc2ccccc12)Nc1ccc(F)cc1 10262416 FYIZSHLPHXOXND-UHFFFAOYSA-N 295.317 3.696 0 40 CHAB O=C(O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 36893226 DWDLMDDOUHTLON-UHFFFAOYSA-N 274.128 3.815 0 40 CHAB in-vitro Cc1cc([C@H](O)c2ccccc2Br)ccc1F 55203393 FJFDBESTSUXNAK-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB COc1ccc(-c2ccc(F)cc2)c(C(F)(F)F)n1 47204818 UPWLVVTWUKTHPZ-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB Cc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1 10700994 VUBXYHKZKYNWPI-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB O[C@H]1c2c(-c3ccccc3)ccc3cccc(c23)[C@H]1O 13480189 NRNGMUBGJNCBDO-MSOLQXFVSA-N 262.308 3.587 0 40 CHAB biogenic c1ccc(-c2c(-c3ccncc3)nc3n2CCS3)cc1 39651420 JUERSOOKGLIFFW-UHFFFAOYSA-N 279.368 3.718 0 40 CHAB S=C(Nc1cccc(Cl)c1Cl)N1CCCC1 13825748 WSKZYJBRZJXRNE-UHFFFAOYSA-N 275.204 3.786 0 40 CHAB Cc1ccn(C(=O)C(c2ccccc2)c2ccccc2)n1 4354408 NIONCYFIYFASPN-UHFFFAOYSA-N 276.339 3.664 0 40 CHAB CS[C@H](C)C(=O)Nc1cnccc1Oc1ccccc1 65538049 KNADGLAKKFLILL-LLVKDONJSA-N 288.372 3.564 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=S)Nc2ccccc2)[C@@H]1C 4622235 POCWVXYCWXWCGM-YRGRVCCFSA-N 262.422 3.798 0 40 CHAB CCC(=O)Nc1cccc(C2SCCS2)c1 15496863 PMDOWOUBJYNBEV-UHFFFAOYSA-N 253.392 3.514 0 40 CHAB CCc1ccccc1NC(=O)CNc1ccc(Cl)cc1 9502981 YEYRZFGVWXVFER-UHFFFAOYSA-N 288.778 3.953 0 40 CHAB Cc1cc(Nc2ccccc2)nc(-c2ccccn2)n1 68621201 WXUAFQKJIZMNID-UHFFFAOYSA-N 262.316 3.591 0 40 CHAB COCc1nc(-c2ccccc2OC(F)F)cs1 69162361 IGAZIBGIIUSXKQ-UHFFFAOYSA-N 271.288 3.558 0 40 CHAB O=C1CCCN1c1cccc(-c2csc(NC3CC3)n2)c1 8297359 MGBQDYWKYIRKKD-UHFFFAOYSA-N 299.399 3.511 0 40 CHAB CC(=O)c1ccc(C)cc1OCc1nc(C)cs1 88510251 HKLWMBZGYPPYSE-UHFFFAOYSA-N 261.346 3.542 0 40 CHAB CC(C)c1ccc(CCN(C)CC2CCOCC2)cc1 95945462 XGFDBQVBLVFEEF-UHFFFAOYSA-N 275.436 3.711 0 40 CHAB CCC(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 97049566 QLHQAWSLALWTMR-UHFFFAOYSA-N 293.326 3.771 0 40 CHAB Cc1n[nH]c(C)c1NC(=O)CS[C@H](C)c1cccs1 89522896 GLPAAVLYGALXGZ-SNVBAGLBSA-N 295.433 3.521 0 40 CHAB N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 37466574 AILANKYWKDHJDG-CYBMUJFWSA-N 280.140 3.636 0 40 CHAB O=C(Nc1ccc(F)cc1)c1snnc1-c1ccccc1 36365027 UFQBORYJKWWESZ-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB O=C1CCC[C@H]1[C@H]1CCCCCN1Cc1ccccc1 217464640 OMWBVERYXPTJQI-DLBZAZTESA-N 271.404 3.800 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](CNC2CCCCC2)C1 76330407 PECOMPUWVKAXGD-CQSZACIVSA-N 296.455 3.556 0 40 CHAB Cc1cc(C(=O)c2ccc(C(C)C)cc2)ccc1N 32108054 XDTJPIFJSQMFRS-UHFFFAOYSA-N 253.345 3.932 0 40 CHAB CC(C)[C@H](C)NC(=O)CSCc1ccc(Cl)cc1 41103866 WMSIBYFZAAPOEN-NSHDSACASA-N 285.840 3.734 0 40 CHAB O=CN1CCC[C@@H]1c1cccnc1Sc1ccccc1 72217649 UHXRCRWQAYOVRT-OAHLLOKOSA-N 284.384 3.526 0 40 CHAB CCc1nc2cc(C(=O)Nc3ccc(F)cc3)ccc2n1C 225896415 RXZSNBIOKUZJGQ-UHFFFAOYSA-N 297.333 3.527 0 40 CHAB COc1cccc(OC)c1CCC(=O)Nc1cccc(C)c1 225993886 NTSFTJDRGRNVJA-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB CCCCn1c(CCCC(=O)O)nc2cccc(Cl)c21 225297222 DARSOHSRPJXTLE-UHFFFAOYSA-N 294.782 3.897 0 40 CHAB O=C(Nc1cncc(Cl)c1Cl)c1ccsc1 95994041 HBUIYOXRAGOXRD-UHFFFAOYSA-N 273.144 3.702 0 40 CHAB CCCC(=O)c1cccc(OC(F)(F)C(F)F)c1 95740145 QBHCGORJTKHTGN-UHFFFAOYSA-N 264.218 3.906 0 40 CHAB C[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1C2 241930385 UIBTWBKUPSLIJQ-OGEQHFGCSA-N 275.436 3.754 0 40 CHAB OCCC[C@@H]1CCCN1Cc1cccc2ccccc12 52761819 CTTUWCOXTKULQA-KRWDZBQOSA-N 269.388 3.577 0 40 CHAB Cn1c(SCC2CCCCC2)nc2ccsc2c1=O 71813310 LHOQESORZOEGSL-UHFFFAOYSA-N 294.445 3.667 0 40 CHAB CC(C)(C)[C@@H](NC(=O)c1ccncc1)c1cccs1 44520459 XQJXQYBFDQHRFW-ZDUSSCGKSA-N 274.389 3.660 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)OC[C@H]1CCCO1 5670809 GBRMREKKDDKYGB-SECBINFHSA-N 290.146 3.721 0 40 CHAB CC1=NN(c2ccccc2)[C@H]2c3ccccc3[N+]([O-])=C(C)[C@@H]12 162198 BWMMOELXELJKRE-MSOLQXFVSA-N 291.354 3.856 0 40 CHAB O=C(Nc1ccc2ncsc2c1)c1ccc(F)cc1 10217155 TYCSVCFKUXFJSL-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB CC(C)(C)c1n[nH]c2cc([C@@H]3CCCCN3)ccc12 1857787035 YTTLNTQXRBUAFO-ZDUSSCGKSA-N 257.381 3.675 0 40 CHAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1C 3608651 VBRMGNMQKPZNMY-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB Cc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 4077591 LUYVJKUFQYQXEO-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccccc1 206942039 OWSFPOXDTUWIQE-UHFFFAOYSA-N 294.379 3.740 0 40 CHAB Cc1ccc(F)cc1NC(=O)N(Cc1ccccn1)C1CC1 40525985 NPNFJYTXXMYLIR-UHFFFAOYSA-N 299.349 3.726 0 40 CHAB c1ccc(-c2c[nH]c(SCc3ccncc3)n2)cc1 42156278 LCNFSBVVWFFZDK-UHFFFAOYSA-N 267.357 3.764 0 40 CHAB Cc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 76791 GHELRGBBTFCZHF-UHFFFAOYSA-N 290.366 3.675 0 40 CHAB biogenic CCN(CC)Cc1cc2c(F)c(F)c(F)c(F)c2o1 165370 IXCUDVYQSNSXGC-UHFFFAOYSA-N 275.245 3.831 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 363313 PPDFQXKBEVTZOX-UHFFFAOYSA-N 297.354 3.929 0 40 CHAB CCC(=O)N[C@@H](c1ccc(F)cc1)C(Cl)(Cl)Cl 374312 OPUAHVOWYPKGSK-JTQLQIEISA-N 298.572 3.763 0 40 CHAB O=C(Nc1ccc2c(c1)Cc1cccc(F)c1-2)C(F)(F)F 1598772 SVKIHAFIPYRCLF-UHFFFAOYSA-N 295.235 3.898 0 40 CHAB C1=CO[C@@]2(N3CCN(c4ccccc4)CC3)CCCC[C@@H]2C1 1706585 CYUSZIDJYHFRGG-MJGOQNOKSA-N 298.430 3.629 0 40 CHAB O=C(Nc1nccs1)Nc1ccccc1C(F)(F)F 1752811 DBGHSBJVNCONQU-UHFFFAOYSA-N 287.266 3.806 0 40 CHAB COc1ccc(C(=O)CCc2cccc(F)c2)cc1 2517321 AMZMQPIMDDWCLG-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB Brc1ccc2c3c([nH]c2c1)CCCC3 3171447 ZNEUGUWVPAHTNJ-UHFFFAOYSA-N 250.139 3.809 0 40 CHAB O=C(OCc1ccc(F)cc1Cl)c1ccc(O)cc1 3431369 ZVFSKAXPWTVHSN-UHFFFAOYSA-N 280.682 3.542 0 40 CHAB CCCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 4611415 FPCYYQVAOXDDRP-FMIVXFBMSA-N 259.393 3.914 0 40 CHAB O=C(Nc1ccc(OC(F)F)cc1)c1cccc(F)c1 5512215 LNYRDAUWOVSREF-UHFFFAOYSA-N 281.233 3.679 0 40 CHAB Cn1c(=O)c2c(c3ccccc31)Nc1ccccc1S2 6666592 DFDVMCMHCQFFJX-UHFFFAOYSA-N 280.352 3.747 0 40 CHAB O=C(NC1CCCC1)c1cc2c(s1)CCCCC2 8076116 NXXBWRURMBKMHW-UHFFFAOYSA-N 263.406 3.689 0 40 CHAB Cc1ccc(-c2c(Cc3cccs3)n[nH]c2N)cc1 8701294 XBKLEDSFMSPSKT-UHFFFAOYSA-N 269.373 3.620 0 40 CHAB CCCC(CCC)C(=O)Nc1ccc(OC)cc1OC 8714225 KWMOECUUPNDFOB-UHFFFAOYSA-N 279.380 3.859 0 40 CHAB Cc1ccccc1Cn1c(C(C)(C)O)nc2ccccc21 8785920 BXHHNMHIACXCCP-UHFFFAOYSA-N 280.371 3.620 0 40 CHAB CCc1ccc([C@H](O)c2nccn2Cc2ccccc2)cc1 9421076 JDXUZBVDFWVODA-SFHVURJKSA-N 292.382 3.576 0 40 CHAB CSc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 12039806 IFVCYDBHZVBEGL-CYBMUJFWSA-N 299.395 3.598 0 40 CHAB CC(C)(C)[n+]1cn(-c2cccc(F)c2)c(-c2ccccc2)n1 12551141 FUTJVWRKVPYSOK-UHFFFAOYSA-N 296.369 3.721 0 40 CHAB CC1=CC[C@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3[C@@H]2C1 12657363 WWIMATJEWPNNPT-RKVPGOIHSA-N 292.382 3.580 0 40 CHAB CSCCc1[nH]c(SCc2ccccc2)nc1C 13945863 OBTZKWLJQSEYMY-UHFFFAOYSA-N 278.446 3.916 0 40 CHAB Fc1cccc(Cl)c1CSC1=N[C@@H]2CCCC[C@H]2N1 14196650 UTXOXQSLOVHAGX-CHWSQXEVSA-N 298.814 3.983 0 40 CHAB Cc1ccc(OCCCC(=O)NC2CCCCCC2)cc1 14400285 SHYWUYQDSSWPPU-UHFFFAOYSA-N 289.419 3.993 0 40 CHAB CCCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 17023871 IFIZDIFWNMWAJQ-AWEZNQCLSA-N 295.448 3.592 0 40 CHAB Cc1ccccc1O[C@H](C)C(=O)NC1CCCCCC1 18210770 YRUZPJZWEPOVNW-CQSZACIVSA-N 275.392 3.601 0 40 CHAB O=C(CSCc1cccc(Cl)c1)N1CCCCCC1 20238039 XVEIMOQPJWOUQP-UHFFFAOYSA-N 297.851 3.976 0 40 CHAB Cc1ccsc1C(=O)NC[C@@H](C)c1ccccc1 23444854 INLSQUOXFZFZLE-GFCCVEGCSA-N 259.374 3.590 0 40 CHAB Cc1nc(CC(=O)N[C@H](C)c2ccccc2Cl)cs1 23689095 SRBINZUVQGMKHH-SECBINFHSA-N 294.807 3.525 0 40 CHAB COCc1cccc(C(=O)NCC(C)(C)c2ccccc2)c1 32817292 VQQXTVSNVRHHIN-UHFFFAOYSA-N 297.398 3.541 0 40 CHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccccc1C 33509468 NJSLDKZVHLDUNN-CQSZACIVSA-N 299.370 3.718 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1ccc(C)cc1 37359848 CDLHGOMIHVHRCS-UHFFFAOYSA-N 260.720 3.888 0 40 CHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccccc1F 37980220 OYTPHIOMKWACMJ-SECBINFHSA-N 289.272 3.629 0 40 CHAB Cc1cc2cc(NC(=O)Cc3cccc(F)c3)ccc2[nH]1 40072695 FOROALIPWRBJAC-UHFFFAOYSA-N 282.318 3.797 0 40 CHAB Cc1cnc(NC(=O)c2cc(C)n(C(C)C)c2C)s1 40160188 JRBZSKRFXCNPJL-UHFFFAOYSA-N 277.393 3.703 0 40 CHAB Cc1ccc(Nc2cc(N)nc(-c3ccccc3F)n2)cc1 49467809 OGUQDVNQPREKQD-UHFFFAOYSA-N 294.333 3.917 0 40 CHAB Cc1cccc2c1CCN2c1nc2ccccc2o1 49491101 FNYNXJHFQLDHSC-UHFFFAOYSA-N 250.301 3.830 0 40 CHAB Cc1ccccc1-c1nnc(SC[C@H]2CCCCO2)o1 57652478 LCWUGDJXKVSQFV-GFCCVEGCSA-N 290.388 3.706 0 40 CHAB O[C@@H]1CCCC[C@H]1c1cccc(OC(F)(F)F)c1 61703776 XEAJLCJMDSDZPL-NWDGAFQWSA-N 260.255 3.604 0 40 CHAB Cc1nn(C)c(C)c1C(=O)Nc1cc(Cl)cc(Cl)c1 65578682 PHNHZNIJRSXVOJ-UHFFFAOYSA-N 298.173 3.596 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)s1 69572707 NTUWNCHPUKRZLU-UHFFFAOYSA-N 287.793 3.511 0 40 CHAB CCN1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214069 LZNMMZXZLYHCQA-MRXNPFEDSA-N 267.376 3.982 0 40 CHAB CN(c1ccccc1)c1ccc([C@H]2CCCN2C)cn1 72214183 NZTASPBDOPFPFL-MRXNPFEDSA-N 267.376 3.616 0 40 CHAB CC(C)n1cc(CC(=O)Nc2ccccn2)c2ccccc21 72404390 BTXRXKXTUPEHJR-UHFFFAOYSA-N 293.370 3.798 0 40 CHAB Cc1cnc(C(C)(C)NC(=O)c2ccc3cc[nH]c3c2)s1 79747949 NYNAIRPMGRAMNI-UHFFFAOYSA-N 299.399 3.598 0 40 CHAB Clc1nc2c(c(NCc3ccccc3)n1)CCCC2 82501417 ZKGXJLHTIYLMIJ-UHFFFAOYSA-N 273.767 3.621 0 40 CHAB Cc1nc(C)c(C(=O)N(C)c2cccc3ncccc23)s1 89845016 UUMIIJSXVKMWOJ-UHFFFAOYSA-N 297.383 3.585 0 40 CHAB CCN[C@H](c1ccccc1)P(=O)(OCC)OCC 90460007 PKVYTCDYMVCIBP-ZDUSSCGKSA-N 271.297 3.561 0 40 CHAB CC(C)(C)OC(=O)n1ccc2nc(Cl)nc(Cl)c21 91352998 KQVURGSYPAAJEE-UHFFFAOYSA-N 288.134 3.521 0 40 CHAB CCOc1ncccc1NCc1ccc(-c2cccnc2)o1 95972278 GGRUKMZRMUECPV-UHFFFAOYSA-N 295.342 3.747 0 40 CHAB O=C(C1CC=CC1)N(Cc1ccccc1)c1ccncc1 95996616 ZKCSNYGGLWUJFA-UHFFFAOYSA-N 278.355 3.581 0 40 CHAB CCC(CC)(CC)CNc1cccc(Cn2cncn2)c1 96006929 VVKBFMXRXSRFFK-UHFFFAOYSA-N 286.423 3.955 0 40 CHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100366737 TYQWYBWNFZCZMT-DOXZYTNZSA-N 299.414 3.965 0 40 CHAB O=C(CC1C(=O)CCCC1=O)c1ccc(Cl)cc1Cl 100926313 HTNHAGYAFRRSRL-UHFFFAOYSA-N 299.153 3.505 0 40 CHAB COC(C)(C)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 195579199 NYFIEIWYKBOLJR-NSHDSACASA-N 298.452 3.519 0 40 CHAB CCC(=O)c1ccc(C(F)(F)F)cc1C(OC)OC 199539073 NRBHMDWVZRMRCM-UHFFFAOYSA-N 276.254 3.590 0 40 CHAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 224662993 NWOCLZGRBVTTJN-UHFFFAOYSA-N 295.791 3.555 0 40 CHAB CCc1nc2ccc(NC(=S)N[C@@H](C)CC)cc2s1 225205983 BAQODSJSOJWPDZ-VIFPVBQESA-N 293.461 3.944 0 40 CHAB Cc1cccc(CCCNC(=S)Nc2cccc(C)n2)c1 225394154 OMTZWIRSIJVEPH-UHFFFAOYSA-N 299.443 3.618 0 40 CHAB COc1c(C)cc(C(=O)COc2ccccc2)cc1C 575242921 YJTDELPFTLRSFK-UHFFFAOYSA-N 270.328 3.574 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(Cl)cc1Cl 575360323 CMLJBYKDMWSNSG-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB Cc1cccnc1CN1CCC2(CC1)CCC(C)(C)OC2 1615189890 ACMIBOLZMOEMDB-UHFFFAOYSA-N 288.435 3.561 0 40 CHAB Oc1cccc([C@]23CCCC[C@@H]2CN(CC2CC2)CC3)c1 2650 KFIQKMINEHFZSM-IEBWSBKVSA-N 285.431 3.936 0 40 CHAB O=C(CSc1ccc(F)cc1)Nc1ccc(F)cc1 31608 ZNIYSEWIGFIBLN-UHFFFAOYSA-N 279.311 3.696 0 40 CHAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 314277 YZLBFDGNVDNPIB-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccnc2)cc1 505816 INXFBXLWTOTYOO-CYBMUJFWSA-N 284.359 3.613 0 40 CHAB COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1 819062 BARPEIVVCNYBIT-UHFFFAOYSA-N 293.370 3.708 0 40 CHAB CC(C)O[C@@H](c1ccccc1)c1ccccc1C(=O)O 1673226 VMKVYJXTRGQQNP-INIZCTEOSA-N 270.328 3.899 0 40 CHAB O=C(c1ccccc1)c1sc2ccccc2c1C(=O)O 1701000 QVUMWZYRIRPNPJ-UHFFFAOYSA-N 282.320 3.831 0 40 CHAB Cc1ccc(C)c(NC(=O)Nc2cccc(O)c2)c1 1738402 AZFKHOLMLMRAOK-UHFFFAOYSA-N 256.305 3.653 0 40 CHAB COCOc1ccc2cc(Br)ccc2c1 34305972 AMYQXFJYHRUYCH-UHFFFAOYSA-N 267.122 3.585 0 40 CHAB CCc1cc(Cl)cc(C)c1I 57326484 DOXDNPVZPRGFRU-UHFFFAOYSA-N 280.536 3.815 0 40 CHAB Cc1ccc(-n2nc(C)cc2NC(=O)[C@H]2CC=CCC2)cc1 36633492 PJNMIVYIDWUSIS-HNNXBMFYSA-N 295.386 3.784 0 40 CHAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)cc2C)c1 26783637 LJXLJWOTGCYJNK-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB CCCCCC(=O)Nc1cccc(-c2ccc(CO)o2)c1 20136628 UOPGLXDYYYHJIS-UHFFFAOYSA-N 287.359 3.958 0 40 CHAB COc1ccccc1[C@@H]1CCCN1C(=O)c1ccccc1 68814985 CQRXHZGVLBPRSO-INIZCTEOSA-N 281.355 3.673 0 40 CHAB Cc1nn(C)c(C)c1NC(=O)c1ccc(Cl)cc1Cl 12786878 NTLMNCDRBRDLOG-UHFFFAOYSA-N 298.173 3.596 0 40 CHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 3430041 QIUIEBYAZKWHIR-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB O=C(Cc1ccccc1)Nc1cccc(OC(F)(F)F)c1 12917788 QVVHDCDMXVBUAD-UHFFFAOYSA-N 295.260 3.766 0 40 CHAB CCc1ccc(C(=O)NCCc2ccccc2C)cc1 14185411 CSLQUBNQFHYMPB-UHFFFAOYSA-N 267.372 3.530 0 40 CHAB CC[C@@H](C(=O)Nc1ccccc1F)c1ccccc1 4666148 FJWQHGODSDPQQT-CYBMUJFWSA-N 257.308 3.958 0 40 CHAB Cc1ccc(C)c(CC(=O)N2c3ccccc3C[C@H]2C)c1 20492780 YYWXFAKEKHKGKK-OAHLLOKOSA-N 279.383 3.824 0 40 CHAB CCCc1cc(S)n2nc(C)c(-c3ccccc3)c2n1 5965904 MNUXEBLIVCMOAN-UHFFFAOYSA-N 283.400 3.946 0 40 CHAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCCC1 15518672 NXQZRPVSFIKESV-UHFFFAOYSA-N 298.367 3.792 0 40 CHAB CC[C@H](COc1cccc(C)c1)NC(=O)c1cccc(C)c1 80344807 HYECDAGHWCLCSD-QGZVFWFLSA-N 297.398 3.891 0 40 CHAB CCc1ccc(NC(=O)Cc2cccc(C)c2)cc1 8382864 WFKMTOFJRFQNNP-UHFFFAOYSA-N 253.345 3.739 0 40 CHAB CCc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 69416464 GCKCMKOXVKAZDF-VIFPVBQESA-N 291.338 3.725 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 18173469 AJIINWQZQLGPNK-SNVBAGLBSA-N 276.286 3.848 0 40 CHAB C(=C/CSc1ccncc1)\CSc1ccncc1 8717097 OGIXIJADWOQFGK-OWOJBTEDSA-N 274.414 3.917 0 40 CHAB CC(C)(C)n1cc(C=O)c(-c2ccc(F)c(Cl)c2)n1 37311332 MRGISKBCYAKMGX-UHFFFAOYSA-N 280.730 3.910 0 40 CHAB Nc1nccc(-c2ccc(-c3ccccc3)c(F)c2)n1 67801427 FQPSXSGAAFIOIY-UHFFFAOYSA-N 265.291 3.532 0 40 CHAB O=C1[C@H]2CC[C@H](C2)[C@H]1Sc1nc2ccccc2s1 33738920 NNTCZFYTRJNYDB-IGJMFERPSA-N 275.398 3.756 0 40 CHAB CC(C)Oc1ncccc1[C@H]1CCCCN1C(C)C 72211979 BEMMMKCMKCGQSW-OAHLLOKOSA-N 262.397 3.804 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1CCCCOc1ccccc1C=O 217796120 YUHRPNBHESYHBU-HZPDHXFCSA-N 289.419 3.921 0 40 CHAB CCOc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1 219954728 URBDOWGXVQWKMZ-UHFFFAOYSA-N 297.398 3.756 0 40 CHAB O=C(NCc1ccc2ccccc2c1)c1ccc(F)cc1 71861479 OSTRWUZQZJHLFK-UHFFFAOYSA-N 279.314 3.909 0 40 CHAB Cc1ccc2nc(-c3cc(N)ccc3O)sc2c1 45923385 JNSYNSKJDONQJU-UHFFFAOYSA-N 256.330 3.560 0 40 CHAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccs1 40106902 WFWJFYVVLDFSES-NSHDSACASA-N 293.819 3.691 0 40 CHAB CCc1c(-c2ccccc2F)nn(Cc2ccccc2)c1N 199749855 XAZMUCDQVWLJAW-UHFFFAOYSA-N 295.361 3.882 0 40 CHAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)nc(C)n2C 225893701 FQVJGDZDFBJDKH-UHFFFAOYSA-N 293.370 3.751 0 40 CHAB Cc1cc(C(N)=O)cc(C)c1OCc1ccc(Cl)cc1 226773442 STHTZQBVHDVOEG-UHFFFAOYSA-N 289.762 3.635 0 40 CHAB C[C@@H]1C[C@H](c2ccsc2)CN1Cc1ccncc1 95401541 DJPDQXZFCVTWSO-DOMZBBRYSA-N 258.390 3.521 0 40 CHAB CC(=O)Nc1ccc(N[C@H]2CCc3ccccc3C2)cc1 37187599 WZQXFKYEAGBJHY-SFHVURJKSA-N 280.371 3.614 0 40 CHAB CC1CCC(N(C)C(=O)c2ccc3ccccc3n2)CC1 57553651 RTJJPTZFOZBCCZ-UHFFFAOYSA-N 282.387 3.886 0 40 CHAB CCn1ccnc1CSCc1cc(-c2ccccc2)on1 83632200 KVSRKOKENWXQJH-UHFFFAOYSA-N 299.399 3.991 0 40 CHAB CCc1cnc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)s1 95968991 DICAYHXIOMZKPD-NWDGAFQWSA-N 292.452 3.895 0 40 CHAB O=C(NCCCc1ccccc1)c1ccc(Cl)cc1F 14229712 QEQQHCSCYCHOAY-UHFFFAOYSA-N 291.753 3.842 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1F 16058430 WFRADXGECDFIAU-LLVKDONJSA-N 275.298 3.764 0 40 CHAB Cc1ccc(C(=O)Nc2nsc3nc(C)cc(C)c23)cc1 16661713 VQOIGDVLRCSNHR-UHFFFAOYSA-N 297.383 3.869 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1 5510872 NYVMJBBYZWCXBT-CNELAYHGSA-N 299.345 3.725 0 40 CHAB CCOC(=O)CCc1ccc(OCc2ccccc2)cc1 160759 GEPHVIQILXNGKM-UHFFFAOYSA-N 284.355 3.761 0 40 CHAB CC[C@H](C)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 7307886 HRWTUNRTQTVBKR-ZDUSSCGKSA-N 295.448 3.811 0 40 CHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1 11201683 DNHPAPSGUQTOII-INIZCTEOSA-N 269.319 3.707 0 40 CHAB COc1ccc(C(=O)c2ccc(C)cc2C)c(OC)c1 37355250 BSRFMGKHQFNMQP-UHFFFAOYSA-N 270.328 3.552 0 40 CHAB COc1ccc2c(C)cc(N3CC(C(F)(F)F)C3)nc2c1 2298047616 NFFZEPFUWSSSPW-UHFFFAOYSA-N 296.292 3.550 0 40 CHAB Cc1ccsc1CNCCCOC1CCCCC1 20191392 UGNHQBNTEXRFCH-UHFFFAOYSA-N 267.438 3.886 0 40 CHAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccs1 20139455 KJNKKDUOQXGNDZ-UHFFFAOYSA-N 299.351 3.753 0 40 CHAB Cc1cc(CN(C)C(=O)c2ccc(Cl)cc2Cl)no1 31658535 XZARKWVYMMMXIV-UHFFFAOYSA-N 299.157 3.562 0 40 CHAB O=C(c1cc2sc3ccccc3c2s1)N1CCC1 32780949 XXGCPLLFIPJQJP-UHFFFAOYSA-N 273.382 3.962 0 40 CHAB C[C@]1(Cl)C(=O)c2ccccc2N(c2ccccc2)C1=O 344065 YUTULTRRAHYSJP-INIZCTEOSA-N 285.730 3.545 0 40 CHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 102592375 LJSHBNLHKBRLSU-SRCQZFHVSA-N 291.350 3.541 0 40 CHAB CCC[C@H](C)NC(=O)CS[C@H](C)c1ccccc1 33047596 CYKCUWHRZVGRLR-QWHCGFSZSA-N 265.422 3.786 0 40 CHAB Cc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)on1 22257443 QRXYXLREXZJXSV-LLVKDONJSA-N 288.372 3.514 0 40 CHAB CC[C@H](O)CN(C)Cc1cc2c(c3ccccc13)CCCC2 1592052 QDDATMKERRMHIA-KRWDZBQOSA-N 297.442 3.921 0 40 CHAB COc1ccc(-c2nnc(SC)n2-c2ccccc2)cc1 2523905 MARGFNZOCDWDOR-UHFFFAOYSA-N 297.383 3.665 0 40 CHAB Cc1nc2ccccc2[n+]2c(O)c(-c3ccccc3)sc12 3073836 FQVLGVNTXLIOPV-UHFFFAOYSA-O 293.371 3.716 0 40 CHAB Cc1cc(C)c(C)c(C(=O)CC(C)(C)C(=O)O)c1C 43214266 XYFZJXCESMMHLU-UHFFFAOYSA-N 262.349 3.604 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(F)ccc2F)c1 3611300 ALVDKLSCIYGALI-LLVKDONJSA-N 291.297 3.679 0 40 CHAB CCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7261711 PVEDOYLQROKOGD-UHFFFAOYSA-N 287.359 3.623 0 40 CHAB Cc1cc(C)c2sc(NCCCn3ccnc3)nc2c1 34936049 FYYAQYXQDBVDHS-UHFFFAOYSA-N 286.404 3.612 0 40 CHAB CCOC(=O)c1cc2cc(Br)ccc2s1 44676201 QYNBPINLQQVHBJ-UHFFFAOYSA-N 285.162 3.841 0 40 CHAB in-vitro O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(Cl)c1 29278425 SWZQGQUCNHVSCU-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB O=C(Nc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1 24587654 ULDFDDFRFAPYEX-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB CCOc1c(OC)cc(C=O)cc1-c1ccccc1 21950872 HXYSQYUOBVXTSV-UHFFFAOYSA-N 256.301 3.573 0 40 CHAB Cc1cc(C)c2cc(C(=O)N(C)Cc3ccc(C)o3)[nH]c2c1 12917871 PVQIEFFOPRNJDZ-UHFFFAOYSA-N 296.370 3.958 0 40 CHAB CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 13094985 DYCOPCLDRBDTHU-UHFFFAOYSA-N 283.327 3.761 0 40 CHAB Cc1ccccc1NC(=O)Cn1c(C)cc2ccccc21 6256942 BIHYKPYKLSJFAP-UHFFFAOYSA-N 278.355 3.897 0 40 CHAB Cc1ccc(-c2nnc(S)n2-c2cccc(C)c2)cc1 26439413 BIIOPCPOWCCNQN-UHFFFAOYSA-N 281.384 3.840 0 40 CHAB Cc1ccc(-c2noc(-c3c(F)cccc3F)n2)cc1 6703912 QOBZFHKIGKGYJF-UHFFFAOYSA-N 272.254 3.990 0 40 CHAB O=C(CSc1ccccn1)C12CC3CC(CC(C3)C1)C2 4881573 ZNSZWMVFRGMPMK-UHFFFAOYSA-N 287.428 3.959 0 40 CHAB Cc1ccc2c(C(=O)CN3CCCC[C@@H]3C)c(C)[nH]c2c1 4871566 QJTXDDLFTGPNNU-ZDUSSCGKSA-N 284.403 3.842 0 40 CHAB Cc1cccc2sc(NC(=O)OCC(F)(F)F)nc12 68584997 RJXIKZMVDAQPPN-UHFFFAOYSA-N 290.266 3.716 0 40 CHAB in-vitro COc1ccc(Nc2nc(-c3ccccc3)cs2)cn1 69418156 FEYMOQNVOUCQKK-UHFFFAOYSA-N 283.356 3.957 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1[C@H](O)C2 118934777 YOGRGJCUTNCLJZ-LFJLJVMTSA-N 292.463 3.751 0 40 CHAB CCCn1c(NC(=O)c2cc(C)oc2C)nc2ccccc21 9885447 MTFRJZBTPPOXNC-UHFFFAOYSA-N 297.358 3.908 0 40 CHAB CC[C@H](NCc1cccc(OC)c1)c1nc2ccccc2[nH]1 76020711 ZVXYXDUURNFWKV-HNNXBMFYSA-N 295.386 3.812 0 40 CHAB Cc1ccccc1CNC(=S)c1ccc(F)cc1 408571701 CWNUICDHHZHMTE-UHFFFAOYSA-N 259.349 3.599 0 40 CHAB CCOc1ccc(C(=S)NCc2ccc(F)cc2)cc1 408576187 VPOFCRMQVPDREC-UHFFFAOYSA-N 289.375 3.690 0 40 CHAB O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1CCCCC1 37361993 NOXPORYJTJYRCX-GFCCVEGCSA-N 288.174 3.605 0 40 CHAB CC[C@@H](C)C(=O)c1ccc(Br)c(OC)c1 308786807 GOAXNLCZTOOSIV-MRVPVSSYSA-N 271.154 3.687 0 40 CHAB Cc1nc(SCc2ccccc2)ccc1[C@H](C)N 72224497 GGUYIDGTXBTILQ-NSHDSACASA-N 258.390 3.702 0 40 CHAB COc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1OC 70270087 VNQPNOGKRDDEFV-UHFFFAOYSA-N 288.734 3.901 0 40 CHAB Fc1ccc(-c2csc(Br)n2)cc1 31772072 GSCFEPBWOIFTNA-UHFFFAOYSA-N 258.115 3.712 0 40 CHAB COc1cccc(-c2nc3c(C)cc(C)cc3[nH]2)c1OC 122386070 XMLZDXAIFPQSQN-UHFFFAOYSA-N 282.343 3.864 0 40 CHAB CCN(C(=O)c1cc(F)c(F)cc1Cl)c1ccncc1 74019021 OUVNYPZESJGGNS-UHFFFAOYSA-N 296.704 3.680 0 40 CHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2)S1 222556255 VUDJCPYWPKCWPQ-WQVCFCJDSA-N 295.411 3.671 0 40 CHAB COCc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OC 224395661 WTURTNMBFLEILZ-UHFFFAOYSA-N 299.370 3.711 0 40 CHAB CC[C@H](C(=O)OC)N1c2c(C)cccc2C(C)=CC1(C)C 223199100 JLRLCAGCKHZKDP-OAHLLOKOSA-N 287.403 3.949 0 40 CHAB CCCOC(=O)c1ccc(Nc2cccc(C)c2)c(N)c1 225416921 YJKYETUTXKXWNW-UHFFFAOYSA-N 284.359 3.888 0 40 CHAB c1cc(-c2nc3ncccc3o2)cc(-n2cccc2)c1 226281219 CSGGFVVSYXRCHT-UHFFFAOYSA-N 261.284 3.681 0 40 CHAB COc1cccc2cc(CNCc3ccc(C)o3)oc12 53036488 FGCIAWVGJLXHBV-UHFFFAOYSA-N 271.316 3.633 0 40 CHAB Cc1c(C2CC2)[nH]c2c(C(F)(F)F)cccc2c1=O 685938709 SJAZNVUATWTJQF-UHFFFAOYSA-N 267.250 3.733 0 40 CHAB O=[S@@](Nc1ccccc1Br)c1ccccc1 17378468 QMTXSFHWYYBIPU-INIZCTEOSA-N 296.189 3.584 0 40 CHAB Nc1nc2c(cc(Br)c3ccccc32)s1 82727127 JGZLSXKASSIZRR-UHFFFAOYSA-N 279.162 3.794 0 40 CHAB Cc1cccc([C@@H](C)NCc2ccc(C3OCCO3)cc2)c1 96477581 ANROPBYYWSNQDY-OAHLLOKOSA-N 297.398 3.891 0 40 CHAB COc1ccc(Cc2nccc3c2CCCC3)cc1 196301169 GKJRESRKVANGPR-UHFFFAOYSA-N 253.345 3.560 0 40 CHAB CCc1ccccc1NCc1ccc(O)c(OC)c1 19956303 ZDDWQJXZONNPED-UHFFFAOYSA-N 257.333 3.575 0 40 CHAB CC(=S)NC1c2ccccc2Oc2ccccc21 5411979 GBPIEHAMVUCLAU-UHFFFAOYSA-N 255.342 3.819 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1 15471929 RBBNHULNVVXSJK-CYBMUJFWSA-N 299.370 3.585 0 40 CHAB CCCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 16639826 MJGGWRBCKWZWED-UHFFFAOYSA-N 280.327 3.635 0 40 CHAB Cc1cccc(CN2CCCCC[C@H]2c2cc(C)on2)n1 19236255 HKJKFOUCUSUDMD-KRWDZBQOSA-N 285.391 3.804 0 40 CHAB CC[C@H](NCc1ccc(C(=O)O)cc1)C1CCCCC1 52338709 SQIFWXGPDDXXCO-INIZCTEOSA-N 275.392 3.833 0 40 CHAB O=C(Nc1ccc(F)cc1)Nc1cccnc1Cl 137564 FBTRVJNGOHVSTK-UHFFFAOYSA-N 265.675 3.518 0 40 CHAB Cc1ccc(C)c(C(=O)CC2(CC(=O)O)CCCC2)c1 40224335 UWRQUMLBHBLGJO-UHFFFAOYSA-N 274.360 3.911 0 40 CHAB CCCCN(CCCC)C(=O)c1ccc(OC(C)=O)cc1 2746613 GURFFXQZEZDION-UHFFFAOYSA-N 291.391 3.654 0 40 CHAB COc1ccc(NC(=O)Nc2cc(F)cc(F)c2)c(C)c1 51355883 ANGHAOTXQHVBOJ-UHFFFAOYSA-N 292.285 3.926 0 40 CHAB CCn1cc(/C=C/C(=O)Nc2ccccc2C(C)C)cn1 355681 PAMWONURWLVKBS-MDZDMXLPSA-N 283.375 3.678 0 40 CHAB CN(CCNc1nc2ccccc2s1)c1ccccc1 21760336 BBYKQRSRCTZBIB-UHFFFAOYSA-N 283.400 3.845 0 40 CHAB Cc1ccc(NC(=O)c2cc(F)ccc2F)c(F)c1 22568149 MODZIBGAXIKTLB-UHFFFAOYSA-N 265.234 3.665 0 40 CHAB COc1ccccc1NC(=O)c1ccc2nc(C)sc2c1 803402 SYTWEYWLQFJMRY-UHFFFAOYSA-N 298.367 3.866 0 40 CHAB C[C@@]1(C(=O)O)CC2c3ccccc3C1c1ccccc12 34143867 NRUFZVGNVQBKSX-LEOMRAHMSA-N 264.324 3.758 0 40 CHAB CC(=O)c1c(-c2ccccc2)c2ccc(C)cc2[nH]c1=O 79098430 CVWDMORBZVQDPG-UHFFFAOYSA-N 277.323 3.706 0 40 CHAB c1ccc([C@@H](CCN2CCCC2)c2ccccn2)cc1 1675612 RVICOCMXZVHRHL-QGZVFWFLSA-N 266.388 3.699 0 40 CHAB in-vitro O=C(c1ccc(Cl)c(Cl)c1)N1CCCCC1 1687389 YRNJQXUMLPURDY-UHFFFAOYSA-N 258.148 3.620 0 40 CHAB CC(C)[C@H](NC(=O)c1ccccc1C(=O)O)c1ccccc1 1848486 LRUNEODTPRKRTG-INIZCTEOSA-N 297.354 3.512 0 40 CHAB CCCC(=O)NC1c2ccccc2Oc2ccccc21 1865332 LOVKLSFYBIAZSG-UHFFFAOYSA-N 267.328 3.798 0 40 CHAB O=C(CCC(=O)c1ccccc1)Nc1cccc(Cl)c1 8287496 PXBHKPFHNQGXJD-UHFFFAOYSA-N 287.746 3.942 0 40 CHAB C[C@@H]1CCC[C@H]2CCCN(CC(=O)Nc3ccccc3)[C@@H]21 58081628 RQMKDTOHBAISKM-RVKKMQEKSA-N 286.419 3.526 0 40 CHAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 10296374 RTEIQSVFHYOUJW-FZZIBODNSA-N 297.320 3.724 0 40 CHAB O=C(CCc1c[nH]c2ccccc12)N1CCc2ccccc21 3286454 HTKHFDYRYORSDI-UHFFFAOYSA-N 290.366 3.690 0 40 CHAB O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@H]2C=C[C@H]1C2 104104563 NRTDLBDAGJPCIU-YLQAJVPDSA-N 263.340 3.991 0 40 CHAB CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(O)cc5c4CCN(C2)[C@H]13 104170192 RAUCDOKTMDOIPF-NBJYGXEESA-N 296.414 3.634 0 40 CHAB Clc1cc(Br)ccc1OC1CCOCC1 114488119 ZWSZBQFBYHYZSO-UHFFFAOYSA-N 291.572 3.660 0 40 CHAB c1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccccc2)cc1 38274347 SJBYIGXWWGSEES-PMACEKPBSA-N 294.442 3.877 0 40 CHAB CC(C)Oc1ccc(NC(=O)Nc2ccncc2)cc1 48954466 XPWVNDRNKAHQBU-UHFFFAOYSA-N 271.320 3.513 0 40 CHAB Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccncc2)s1 49338056 BRBCDZOFILQIHL-LLVKDONJSA-N 275.377 3.676 0 40 CHAB COc1ccc(-c2noc(COc3cccc(C)c3)n2)cc1 4690624 MXLAAGPQWSESLE-UHFFFAOYSA-N 296.326 3.633 0 40 CHAB C[C@@H]1CCc2c(sc3c2[C@H](c2ccncc2)CC(=O)N3)C1 15085214 QOAWQQMAPPNTDG-MFKMUULPSA-N 298.411 3.742 0 40 CHAB Cc1nc2c(-c3ccccc3)cnn2c(Cl)c1C 7636224 DHBGHKZRNHBNBN-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB O=c1c2[nH]c3ccccc3c2ncn1CCC1=CCCCC1 8628123 CVMTYQWNNYQBDY-UHFFFAOYSA-N 293.370 3.768 0 40 CHAB CCCCCNC(=O)[C@@H](CC)Oc1cccc(C)c1C 38753174 FYSHPNAKQZWGMD-OAHLLOKOSA-N 277.408 3.767 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCCC1=CCCCC1 39975650 VAUVHWYRAVWBMF-ARFHVFGLSA-N 261.409 3.819 0 40 CHAB CC(C)CCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 70270129 SGZKAQBRSONNHU-AWEZNQCLSA-N 291.435 3.914 0 40 CHAB O=CN1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 72212171 BNTFWWBUONZCQJ-INIZCTEOSA-N 282.343 3.557 0 40 CHAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1CCCCCN1 217459930 ZETSUFZCZGPEEG-KRWDZBQOSA-N 283.419 3.753 0 40 CHAB Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)ccn1 72219486 DBJUIUUVFIBGPR-CQSZACIVSA-N 276.380 3.852 0 40 CHAB Cc1cnccc1[C@H]1CCCCN1C(=O)c1ccccc1 72219550 RKWCGVMWYNJJBX-QGZVFWFLSA-N 280.371 3.757 0 40 CHAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(=S)[nH]c1 72217009 JRLBWKNSACJYBD-AWEZNQCLSA-N 284.384 3.721 0 40 CHAB COc1ccc(CC(=O)Nc2cc(C)ccc2OC)cc1C 223595932 XCFSMOADXQEVHP-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB CCCCCC(=O)Nc1c(C)cc(N)cc1Br 226755868 VGTHEVVEKQXGND-UHFFFAOYSA-N 299.212 3.859 0 40 CHAB O=C(Cc1ccc(Cl)cc1F)Nc1c(F)cccc1F 223346534 QOMCHTSLTPWEBU-UHFFFAOYSA-N 299.679 3.939 0 40 CHAB FC(F)(F)c1ccnc(Br)c1Cl 95761935 WILQWGAMYJUHPE-UHFFFAOYSA-N 260.440 3.516 0 40 CHAB CCSCc1nnc(-c2cccc(Br)c2)o1 96433427 KQVSAGVBQXDTSY-UHFFFAOYSA-N 299.193 3.752 0 40 CHAB Cc1cc(C(=O)C2=C(C(=O)O)CCCC2)ccc1Cl 95634127 NBTYIXIZRHPTJX-UHFFFAOYSA-N 278.735 3.786 0 40 CHAB COc1cccc2[nH]c(C(C)C)c(C(C)C)c(=O)c12 685938715 TXUGIPJFGFTWHY-UHFFFAOYSA-N 259.349 3.784 0 40 CHAB Cn1cc(C(=O)OCc2ccccc2)c2ccccc21 5261218 NNRZJAKOLVVMNN-UHFFFAOYSA-N 265.312 3.535 0 40 CHAB CCC(C)(C)NC(=S)Nc1ccc(Cl)cc1 13823513 RODKGXQNSNBEMM-UHFFFAOYSA-N 256.802 3.815 0 40 CHAB CC[C@H](CNC(=O)c1cccc(N(C)C)c1)c1ccccc1 18153087 OXGRHWRGNNYXNT-OAHLLOKOSA-N 296.414 3.676 0 40 CHAB O=C(c1cccs1)N1CC=C(c2ccccc2)CC1 3447813 QLWYCPFXOUELBN-UHFFFAOYSA-N 269.369 3.678 0 40 CHAB Cc1ccc2c(c1)[C@]1(C)[C@H](C(C)(C)N2C=O)C1(Cl)Cl 2357016 SSDADYGJWYQFQE-GXTWGEPZSA-N 298.213 3.811 0 40 CHAB O=C(Nc1ccccc1Br)NC1CCCC1 40095191 SCABVWJSSIYBHA-UHFFFAOYSA-N 283.169 3.513 0 40 CHAB O=C(C[C@H]1C=CCC1)N(Cc1cccs1)C1CC1 40498668 VDDAIPMDAUSFPA-LBPRGKRZSA-N 261.390 3.595 0 40 CHAB CC(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1 135495 UUHXCKRZEMAPMU-UHFFFAOYSA-N 260.289 3.680 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(F)c(F)cc2Cl)C1 20569348 IMSFIVYEZFDDPY-DTORHVGOSA-N 287.737 3.736 0 40 CHAB CC1(C)CC(=O)[C@@H]2Oc3ccc(Cl)cc3N=C2C1 101661820 QCYASNWBJNMYBG-CYBMUJFWSA-N 263.724 3.563 0 40 CHAB Cc1ccnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 383618 UVMWDYHQRARRRW-UHFFFAOYSA-N 289.338 3.704 0 40 CHAB COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 485775 ZZXFRUSCRFOHKW-UHFFFAOYSA-N 280.323 3.701 0 40 CHAB Cc1ccc(NC(=O)/C=C/c2ccco2)cc1Cl 570255 AFHKROINVBTHPE-VOTSOKGWSA-N 261.708 3.893 0 40 CHAB CC(=O)N1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21 85004 USUHRZZSPCYSGL-INIZCTEOSA-N 297.379 3.803 0 40 CHAB COc1ccc(-c2cc(C(=O)O)c(C(F)(F)F)o2)cc1 113455 PYCIUAMIBJWOSM-UHFFFAOYSA-N 286.205 3.672 0 40 CHAB Fc1ccc(-c2nc(-c3ccccn3)no2)c(Cl)c1 114131 ADTBIMJPJHHSDF-UHFFFAOYSA-N 275.670 3.591 0 40 CHAB CCC(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1 203134 FSYMRXSQDDJBTA-UHFFFAOYSA-N 279.343 3.658 0 40 CHAB CCN1c2ccccc2N(C)[C@@]1(C)c1ccccc1 233343 QWPMTQMHWWDYRA-QGZVFWFLSA-N 252.361 3.836 0 40 CHAB in-vivo O=C(NCc1cccs1)C1(c2ccccc2)CCCC1 1361989 IDAMKZWSXYSIHC-UHFFFAOYSA-N 285.412 3.876 0 40 CHAB O=C1C[C@H](c2ccccc2)[C@H](c2ccccc2)CO1 1557242 CZSLBTQCKZWPSN-CVEARBPZSA-N 252.313 3.501 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)OCCOc2ccccc2)C1(C)C 1719057 PLYKECUVQBIVEJ-JKSUJKDBSA-N 288.387 3.847 0 40 CHAB CCN(CC)c1ccc(NCc2ccc3c(c2)OCO3)cc1 2503599 BWHCBDIURDOPLF-UHFFFAOYSA-N 298.386 3.874 0 40 CHAB CCn1nc(C)c2c(C(F)F)cc(-c3ccco3)nc21 2732399 PVUPXRGRBQFFKB-UHFFFAOYSA-N 277.274 3.957 0 40 CHAB O=C(Cc1nc2ccccc2n1C(F)F)c1ccccc1 3888421 PKBSVDFYTLCLJU-UHFFFAOYSA-N 286.281 3.857 0 40 CHAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](C)C1 4771201 DTOIWNVFMYNSDW-JTQLQIEISA-N 266.772 3.912 0 40 CHAB CCCCN1C(=O)S/C(=C/c2ccccc2)C1=O 5215136 RCRWTZVSNAXUAG-ZRDIBKRKSA-N 261.346 3.523 0 40 CHAB CCN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O 5552323 FRYYJZVIORHHHO-LCYFTJDESA-N 275.373 3.866 0 40 CHAB O=C(NCCCCc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 6227636 DTOJOQTXTNWPRQ-RTBURBONSA-N 293.410 3.929 0 40 CHAB Cc1ccc(SCC(=O)Nc2cccnc2Cl)cc1 6507813 AXSVZHXBGAUUOJ-UHFFFAOYSA-N 292.791 3.774 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CN[C@@H]1CCCC[C@@H]1C 6593871 HJCZAXHJTSFZEY-SMDDNHRTSA-N 294.826 3.755 0 40 CHAB CCCCCNC(=O)CSCc1ccc(Cl)cc1 6597190 PKUOOXXEKCGYGR-UHFFFAOYSA-N 285.840 3.880 0 40 CHAB CC(C)OCCCNCc1cc2ccccc2nc1Cl 6650923 MKGQFYKCWHAXCD-UHFFFAOYSA-N 292.810 3.793 0 40 CHAB CCC[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1 6945447 SRBPGXQBJHYBGI-LLVKDONJSA-N 285.840 3.878 0 40 CHAB CCCCCCNCc1ccc(OCC)c(OC)c1 7261003 LXZMEROUTGNQLV-UHFFFAOYSA-N 265.397 3.764 0 40 CHAB CCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688718 MWWAKMVBZZNGLO-UHFFFAOYSA-N 282.315 3.827 0 40 CHAB Cc1cccc(NC(=O)[C@@H](C)Sc2ccccn2)c1 7699563 SCUPZQVFPYNTOO-GFCCVEGCSA-N 272.373 3.509 0 40 CHAB COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 8237567 JUDSJTINCBZVEA-GFCCVEGCSA-N 295.338 3.932 0 40 CHAB CCC(CC)NC(=O)c1ccc(C)c(-n2cccc2)c1 11329710 UPLICYLWTJTLIE-UHFFFAOYSA-N 270.376 3.704 0 40 CHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccco1 12374861 BFUPUTNYJMGQRD-NQDFZQDQSA-N 299.713 3.834 0 40 CHAB CC(C)(C)c1nc2cc(NC(=O)C3CCC3)ccc2[nH]1 12519904 XBJPATNYGCCQJK-UHFFFAOYSA-N 271.364 3.599 0 40 CHAB CCCCc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 12541194 POIBDCTYFRBZRL-UHFFFAOYSA-N 294.358 3.553 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1ccccc1 12871237 MGAOCPJIPLSACE-UHFFFAOYSA-N 292.338 3.927 0 40 CHAB CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2)cc1C 12906887 FZTZONGLOGAASU-UHFFFAOYSA-N 297.358 3.906 0 40 CHAB CC[C@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 13746375 XKESEHDQMVOIJM-QWHCGFSZSA-N 270.376 3.999 0 40 CHAB O=C(c1ccc(F)cc1)c1c[nH]c2c(Cl)nccc12 19332209 RSLQDUFKAZSSCA-UHFFFAOYSA-N 274.682 3.586 0 40 CHAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 20106719 IHSLCISLOVNLBB-INIZCTEOSA-N 297.398 3.868 0 40 CHAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccco2)cc1 20111199 PMDBCMVXWJKHHJ-HNNXBMFYSA-N 287.359 3.805 0 40 CHAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 21933429 IWHWEJUZSJFRPC-OLZOCXBDSA-N 269.344 3.966 0 40 CHAB Cc1cc(-n2c(C)cc(C(=O)Nc3ccccc3)c2C)no1 21963937 FLCFAPKHWXIPPT-UHFFFAOYSA-N 295.342 3.643 0 40 CHAB CC(C)(C)CC(=O)Nc1ccccc1N1CCCC1 22741348 PNNDBBFZJBBELA-UHFFFAOYSA-N 260.381 3.662 0 40 CHAB CC(C)=CC(=O)Nc1nc(-c2cccs2)cs1 22833072 KOBOEXCAGIEINN-UHFFFAOYSA-N 264.375 3.776 0 40 CHAB C[C@@H](NC(=O)CCc1ccsc1)c1cccs1 24645418 PREJUJQUGVMCGG-SNVBAGLBSA-N 265.403 3.620 0 40 CHAB CC(=O)Nc1ccc(Sc2ncccc2Cl)cc1 24970717 XFVCAROOPFMALG-UHFFFAOYSA-N 278.764 3.845 0 40 CHAB CCc1ccc2nc(NCc3cccnc3)sc2c1 26422517 DHNQZUAVJZIJDY-UHFFFAOYSA-N 269.373 3.866 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1F 31536584 YUMKTYJRSYXKNV-UHFFFAOYSA-N 295.317 3.777 0 40 CHAB CC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 34224786 BPMGNFLSXGRZEM-CQSZACIVSA-N 270.328 3.622 0 40 CHAB COc1ccc([C@H](O)c2cccc(Br)c2)cc1 37532707 GWEKPQSXQGUPRS-AWEZNQCLSA-N 293.160 3.539 0 40 CHAB COc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1 38567335 MNABBSTYEZJZEH-HNNXBMFYSA-N 296.370 3.717 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Nc2ccccc2C)o1 40525329 WAOAOQIWPUHQJQ-LBPRGKRZSA-N 258.321 3.779 0 40 CHAB Fc1ccc2c(c1)[nH]c(=S)n2CCOc1ccccc1 42897233 CEEIOILZTXHBHV-UHFFFAOYSA-N 288.347 3.917 0 40 CHAB CC(C)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)cc1 54426344 GXSMCWZPRQXMDS-QGZVFWFLSA-N 296.370 3.670 0 40 CHAB Cc1ccc(F)c(NC(=O)NC2(C)CCCC2)c1 58316001 FOHQAZDNTSKQOF-UHFFFAOYSA-N 250.317 3.588 0 40 CHAB COCc1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 58702681 HCSBCBDSTMRKLZ-GOSISDBHSA-N 295.382 3.892 0 40 CHAB CC[C@H](CNC(=O)c1ccc(C)cc1)c1ccccc1 61997199 RSVGNUNASWDKKK-OAHLLOKOSA-N 267.372 3.919 0 40 CHAB O=Cc1cccc(Br)c1OCCC(F)(F)F 70913614 ZNQBGALYMGOVJN-UHFFFAOYSA-N 297.070 3.593 0 40 CHAB CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(SC)c(Cl)c2)O1 84735455 LOZZKPFOIOPMNN-PWSUYJOCSA-N 299.823 3.958 0 40 CHAB C[S@](=O)c1ccc(NCc2ccc(Cl)cc2)cc1 89493249 MNDWSABMMXITOA-GOSISDBHSA-N 279.792 3.690 0 40 CHAB O=C(C1CC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 89872991 FTLAWLMZQNVJCV-MRXNPFEDSA-N 268.360 3.632 0 40 CHAB CC(=O)c1ccc(Cl)c(NC(=O)c2ccsc2)c1 95417333 LNADTKFYLGCLSV-UHFFFAOYSA-N 279.748 3.856 0 40 CHAB COC(=O)C[C@@H](C)CC(=O)c1ccc(Cl)c(Cl)c1 95728767 RMHJYZPXPRMJKC-QMMMGPOBSA-N 289.158 3.765 0 40 CHAB Cc1ccccc1C(=O)c1cc(F)c(F)cc1F 95917166 YEAHGCRVGXWUFO-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CCCCN(C(C)=O)c1ccc(Br)s1 96102441 WGKPFNBRAVFZFN-UHFFFAOYSA-N 276.199 3.664 0 40 CHAB O=C(CCc1ccccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2 101639651 DUQJWIPSEZYZQQ-UXIGCNINSA-N 277.795 3.577 0 40 CHAB Cc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)o1 102190844 GZIDGWCEDDCBQF-AQZCBOOZSA-N 273.376 3.542 0 40 CHAB O=C([C@H]1CC=CCC1)n1cccc/c1=N\C1CCCCC1 104943054 QIEOTBWCFJKKJA-UHHPSXQGSA-N 284.403 3.718 0 40 CHAB O=C(Nc1cc2ccccc2cc1NC(=O)C1CC1)C1CC1 108697453 SIIZHQDPOMFACB-UHFFFAOYSA-N 294.354 3.537 0 40 CHAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COCC)c1 224699931 FXMBDBXAFNQTKO-ZDUSSCGKSA-N 293.407 3.540 0 40 CHAB Cc1c(Br)cc(C=O)n1C1CCCCC1 225299996 ZYCILRTWNUPREJ-UHFFFAOYSA-N 270.170 3.877 0 40 CHAB O=C1Nc2ccc(F)cc2/C1=C\c1ccc(Cl)cc1 253447752 QQZJUDPAFZSCGT-NTUHNPAUSA-N 273.694 3.972 0 40 CHAB O=C(O)C1(c2cc(Cl)cc(C(F)(F)F)c2)CCC1 259494786 QHYOXNFWZUPLPK-UHFFFAOYSA-N 278.657 3.865 0 40 CHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccco3)N21 260756012 CWHZFDJQDFZJAF-UGFHNGPFSA-N 299.399 3.654 0 40 CHAB CCCCOCc1c(Br)cnn1[C@@H](C)CC 408716517 NVPZNTBHSLWVSZ-JTQLQIEISA-N 289.217 3.933 0 40 CHAB CCc1c(C2CC2)[nH]c2cc(C(F)(F)F)ccc2c1=O 685938734 UZCGORWRPOZEMF-UHFFFAOYSA-N 281.277 3.987 0 40 CHAB O=C(Nc1nnc(C2CCCC2)s1)c1cccc(F)c1 412258 VAXQISBMXBPDJF-UHFFFAOYSA-N 291.351 3.587 0 40 CHAB CC(C)(C)c1ccc(COCCC2CCNCC2)cc1 42772012 FAMBJUTVKKORCS-UHFFFAOYSA-N 275.436 3.890 0 40 CHAB COc1ccc2nc(Cl)c(Br)c(C)c2c1 1586058 ZBQKZDGPQVCUFU-UHFFFAOYSA-N 286.556 3.968 0 40 CHAB CC(C)NCCCCCNc1ccc(Cl)cc1 1687519 ZLAAGDBJZDITSY-UHFFFAOYSA-N 254.805 3.920 0 40 CHAB CCCCC(=O)Nc1ncc(Cc2ccccc2)s1 1776737 LYLAGTZGYCVXHS-UHFFFAOYSA-N 274.389 3.863 0 40 CHAB CCOC(OCC)c1sccc1Br 2580784 QNTDBERHEOAJAA-UHFFFAOYSA-N 265.172 3.582 0 40 CHAB Cn1cc(C(=O)NCCC2=CCCCC2)c2ccccc21 12537086 OUGLEQWFKUMILL-UHFFFAOYSA-N 282.387 3.799 0 40 CHAB CCCCNC(=O)c1c(-c2ccccc2Cl)noc1C 2310758 KOFQGXCCWGWLNF-UHFFFAOYSA-N 292.766 3.833 0 40 CHAB Cc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1 101150608 NULHJLDBQDFZDV-MPGHIAIKSA-N 271.404 3.940 0 40 CHAB Cc1ccc(CONC(=O)c2ccccc2Cl)cc1 2793137 GHLYSBDSFLJLJL-UHFFFAOYSA-N 275.735 3.510 0 40 CHAB Cc1ccc(C)c(Cn2cnc3ccc(Cl)cc3c2=O)c1 5084473 LLWTYYWFKVYRGZ-UHFFFAOYSA-N 298.773 3.715 0 40 CHAB CCc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 6653295 QKRVFCRMWWTXOL-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB COc1cc(F)ccc1NC(=O)c1ccc2ccccc2n1 25309657 AJIOBNFOZNXKBG-UHFFFAOYSA-N 296.301 3.635 0 40 CHAB O=C(CSc1ccccn1)Nc1cc(Cl)ccc1F 7699235 QINIZKGROIAZBB-UHFFFAOYSA-N 296.754 3.605 0 40 CHAB COc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1C 7942421 PEXXRDYITNLHMZ-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB COc1ccc(C)cc1[C@H](C)NC(=O)C1CCCCC1 8128159 PKKZENTWQUFARL-ZDUSSCGKSA-N 275.392 3.761 0 40 CHAB Cc1cccc(CN(Cc2cccc(C)n2)C[C@@H]2C[C@H]2C)n1 97105621 GKWHMOGCBNAMHQ-PBHICJAKSA-N 295.430 3.752 0 40 CHAB CC(C)CC(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C 89802183 RNGVSXNMRLNQTJ-GDBMZVCRSA-N 259.393 3.589 0 40 CHAB Cc1noc(C)c1CN1CCCc2cc(F)cc(F)c21 26725680 DMKNMWRJTBDGQN-UHFFFAOYSA-N 278.302 3.522 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc[nH]c1=S 72217059 NBIXLGLBDKUDRI-NSHDSACASA-N 280.393 3.816 0 40 CHAB CC(C)(C)Oc1ccc(C(=O)Nc2cccnc2)cc1 32115683 JGGYUQQAHMWHKH-UHFFFAOYSA-N 270.332 3.511 0 40 CHAB Cc1cc([C@H](C)O)cnc1N1CCCc2ccccc21 72222873 GNFZMROSJZQJSL-ZDUSSCGKSA-N 268.360 3.528 0 40 CHAB O=CN1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217588 ZJBLZKTWKBBFQN-HNNXBMFYSA-N 284.384 3.526 0 40 CHAB NCc1ccc(-c2ccc(Cl)cc2Br)o1 73638468 RFBMPVQVMGFZCW-UHFFFAOYSA-N 286.556 3.821 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2)cc1 49909633 QVTGLQPDBBUOKK-MRXNPFEDSA-N 297.398 3.511 0 40 CHAB C[C@@H](c1ccc(Br)cc1)N1CCCC1 83442691 QGCHPDGYVYGLTE-JTQLQIEISA-N 254.171 3.606 0 40 CHAB O=Cc1ccc(COc2cccc3ccccc23)o1 85395341 HRFYYVVBFCBHGK-UHFFFAOYSA-N 252.269 3.824 0 40 CHAB CC(C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225589180 WHKDYSRSYLBILL-UHFFFAOYSA-N 296.581 3.783 0 40 CHAB Cc1noc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 84025562 VBYVGTWCRUOLQA-UHFFFAOYSA-N 284.237 3.563 0 40 CHAB CCOP(=O)(OCC)C(F)(F)[C@H](F)C(F)(F)F 142604162 OJOPDPFTMNISAP-RXMQYKEDSA-N 288.124 3.746 0 40 CHAB O=C(c1ccc(OCc2ccccc2)cc1)N1CCCCC1 14042491 UJMXBLISKBYQSD-UHFFFAOYSA-N 295.382 3.892 0 40 CHAB COc1ccc(CO)cc1OCc1ccc(F)cc1Cl 20032430 FMJQYIVRIRTYTG-UHFFFAOYSA-N 296.725 3.559 0 40 CHAB CNCC[C@H](Oc1ccccc1C)c1ccccc1 2570822 VHGCDTVCOLNTBX-KRWDZBQOSA-N 255.361 3.725 0 40 CHAB biogenic,in-vitro Cc1ccc(OCc2ccccc2Cl)c(C(=O)O)c1 13085567 UGEZCVYVHQLDFB-UHFFFAOYSA-N 276.719 3.926 0 40 CHAB in-vitro CC(=O)N(C)c1ccc(NCc2sccc2Cl)cc1 252485412 GUHIPVFCAZNWHN-UHFFFAOYSA-N 294.807 3.996 0 40 CHAB CN(C(=O)CCc1c[nH]c2ccccc12)C1CCCC1 35148969 HCMBRWARGIALSM-UHFFFAOYSA-N 270.376 3.502 0 40 CHAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)c1ccccc1 20269567 DMMKMFFBADAPJB-HNNXBMFYSA-N 265.312 3.579 0 40 CHAB CSc1cccc(NC(=O)N2CCCCCC2)c1 40525529 HHHVXPXJZRIOEA-UHFFFAOYSA-N 264.394 3.816 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1cn(C)c2ccccc12 20892354 YVLCSQJPXFPOFJ-CYBMUJFWSA-N 270.376 3.583 0 40 CHAB OC12C[C@@H]3C[C@@H](C1)CC(NCc1ccccc1Cl)(C3)C2 102290678 CYZNIZROQNXYQL-QJRTVWDNSA-N 291.822 3.513 0 40 CHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)c(C)c1 352012 HRTAINSOTHZLLT-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1 382449 FDACPLQGYOKETO-QGZVFWFLSA-N 296.370 3.777 0 40 CHAB COc1ccc(Cl)cc1NC(=O)c1ccccc1F 304512 WKHARSHILDYNEA-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB COC(=O)c1oc2ccc(Cl)cc2c1-n1cccc1 94405 UOCOYYDXZHMCSZ-UHFFFAOYSA-N 275.691 3.664 0 40 CHAB Cn1c(C(=O)c2cc3ccccc3n2C)cc2ccccc21 1558406 DOMMWAJERIRNLC-UHFFFAOYSA-N 288.350 3.901 0 40 CHAB O=C(O)CCCCCCC(=O)c1c(F)cccc1F 2243662 HONVCDHOINANQZ-UHFFFAOYSA-N 270.275 3.573 0 40 CHAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1cccc(F)c1 3314805 UBNHRPVZGCZIMM-MGPQQGTHSA-N 293.382 3.634 0 40 CHAB CN[C@H](c1ccccc1)c1ccccc1Br 3886971 HUUOWYZTEOSVSA-CQSZACIVSA-N 276.177 3.758 0 40 CHAB CC(C)c1ccccc1NC(=O)c1ccccc1O 4615063 XGGYDMNWTUNUIW-UHFFFAOYSA-N 255.317 3.768 0 40 CHAB CN(C)CCCN1c2ccccc2CCc2cc(O)ccc21 5140429 ROTCPJFWLNDKHU-UHFFFAOYSA-N 296.414 3.581 0 40 CHAB biogenic,world Cc1cccc(C(=O)N[C@H](C)c2ccc(F)cc2)c1 5458227 ZZWDMMTXQILHQF-GFCCVEGCSA-N 257.308 3.625 0 40 CHAB Cc1cc2nc(NC(=S)Nc3ccccc3)[nH]c2cc1C 6275856 NVIXCRKRJOCDLG-UHFFFAOYSA-N 296.399 3.989 0 40 CHAB Cc1cccc(OCCCn2c(C=O)nc3ccccc32)c1 6607663 CWCXRLZLSLIDFQ-UHFFFAOYSA-N 294.354 3.626 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7306571 NMLDQJOMSUZIDH-HTRCEHHLSA-N 277.673 3.953 0 40 CHAB Cc1ccc(C)n1-c1nccc(-c2cccs2)n1 8672117 IWFMLHWJNFNFCI-UHFFFAOYSA-N 255.346 3.613 0 40 CHAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C1CC1 10157725 PSRTZRPHNYHPTA-UHFFFAOYSA-N 271.360 3.634 0 40 CHAB CCCn1nc2nc(Cl)cc(C(F)(F)F)c2c1C 12398069 UBRQISUTLURULR-UHFFFAOYSA-N 277.677 3.822 0 40 CHAB O=C1N=C(Nc2ccccc2)/C(=C/c2ccco2)S1 12514716 FVGXXUGQWLGQQG-XFXZXTDPSA-N 270.313 3.998 0 40 CHAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 13710157 PKOJPRSUIVNTCE-JKSUJKDBSA-N 297.398 3.948 0 40 CHAB COc1ccc(OC)c(C(=O)c2cc3ccccc3o2)c1 14201007 VYTXMDKDEMPUOF-UHFFFAOYSA-N 282.295 3.681 0 40 CHAB Cc1nnc(NC(=O)c2ccccc2-c2ccccc2)s1 14714802 LQJMASAXTQAXRG-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 15538812 WFUNJPHRFTXUQX-UHFFFAOYSA-N 290.322 3.690 0 40 CHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NC2CCCCC2)o1 16202641 XQKXBURFIIYKFA-UXGAIALJSA-N 273.376 3.865 0 40 CHAB CCOC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 20863120 JZCLIUNUZQDLAO-UHFFFAOYSA-N 289.306 3.973 0 40 CHAB COc1ccc2ncc3c(-c4ccccc4)n[nH]c3c2c1 21365457 MMNOVHGAQVRBND-UHFFFAOYSA-N 275.311 3.787 0 40 CHAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)c1ccccc1F 21557177 IEPTUXXGNZWBHR-SNVBAGLBSA-N 290.338 3.737 0 40 CHAB Cc1cccc2c(C(=O)O)c3c(nc12)CCCCC3 22213358 XCRISVJYTGHDPQ-UHFFFAOYSA-N 255.317 3.510 0 40 CHAB CCOc1ccc2nc(SC[C@@H]3CCCCO3)[nH]c2c1 23039064 ZYWZXPZKQXAFAG-LBPRGKRZSA-N 292.404 3.623 0 40 CHAB Cc1cc(C(=O)NC(C)C)c(C)n1C1CCCCC1 24713621 GUIIAXPSNFCGKE-UHFFFAOYSA-N 262.397 3.748 0 40 CHAB CSc1ccc([C@@H](C)NC(=O)CCc2ccco2)cc1 27162848 CXCATGDHCKMOGF-GFCCVEGCSA-N 289.400 3.812 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2N 27559131 VPONVJPFULJPAN-ZBRFXRBCSA-N 271.404 3.576 0 40 CHAB C[C@@H](NC(=O)c1ccnc(Cl)c1)c1ccc(F)cc1F 27578442 BUOQQTHJPUGZGH-MRVPVSSYSA-N 296.704 3.504 0 40 CHAB Cc1cccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1 29482459 MUBSGENNPUDQNO-GOSISDBHSA-N 294.398 3.553 0 40 CHAB O=C(NCC1CCC1)c1ccc(OCc2ccccc2)cc1 31442240 XAFZRWMQIHHIIK-UHFFFAOYSA-N 295.382 3.796 0 40 CHAB O=C(N[C@H](c1cccs1)C1CCCC1)C1CCOCC1 32396855 WXLQMTCFOICVMW-HNNXBMFYSA-N 293.432 3.522 0 40 CHAB Cc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1 32814553 OBJPQTXAQKDMDT-HNNXBMFYSA-N 282.343 3.640 0 40 CHAB C[C@@H](NC(=O)c1csc2ccccc12)c1ccco1 32859707 FEYHTWRZUMLFKR-SNVBAGLBSA-N 271.341 3.985 0 40 CHAB Cc1ccc2sc(NCc3ccncc3)nc2c1C 36657582 AFQKLWLQASEFMP-UHFFFAOYSA-N 269.373 3.920 0 40 CHAB COc1ccccc1CNc1c(C)nn(C(C)C)c1C 37787503 ZYRLCGKOQLLHOQ-UHFFFAOYSA-N 273.380 3.702 0 40 CHAB CCOC(=O)c1sc(NC(=O)CC2CCCC2)cc1C 37847124 NNXTUNKFKXMRNY-UHFFFAOYSA-N 295.404 3.752 0 40 CHAB CN(c1ccccc1)c1ccc(Br)cn1 38538314 CJUQWLHYTATQSQ-UHFFFAOYSA-N 263.138 3.612 0 40 CHAB O=C(N[C@H]1CCSc2ccccc21)[C@H]1CC=CCC1 39975960 VTHMYVUDVMRKCS-JSGCOSHPSA-N 273.401 3.696 0 40 CHAB Cc1cc(N2CCO[C@@H](C)C2)nc2c(C(C)C)cccc12 40024903 JWVGVWVFWRPBCF-AWEZNQCLSA-N 284.403 3.892 0 40 CHAB C[C@H](NC(=O)CCc1cccnc1)c1ccc(Cl)s1 40074617 IJHJEUBPMXETFE-JTQLQIEISA-N 294.807 3.607 0 40 CHAB O=c1oc(-c2ccccc2)nc2c(Cl)cccc12 44965668 BWQZXRYFAVQCAK-UHFFFAOYSA-N 257.676 3.508 0 40 CHAB Nc1ccc2nc(-c3cc(Cl)c(N)c(Cl)c3)oc2c1 45919883 NAEGIUUIRIMSMF-UHFFFAOYSA-N 294.141 3.966 0 40 CHAB CC(C)[C@@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1 60504234 VSGQATRXLIJWAA-CYBMUJFWSA-N 277.408 3.524 0 40 CHAB Cc1ccc(F)cc1C(=O)c1ccc(F)c(F)c1F 61838058 ODKCQYWFEFZKMR-UHFFFAOYSA-N 268.209 3.782 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2c(F)cccc2F)cc1 66280318 JMNMTUABIRGKDY-MDZDMXLPSA-N 273.282 3.925 0 40 CHAB CC(C)c1cccc(NC(=O)COCc2ccccc2)c1 69368540 BIOQAZWEIQGJGL-UHFFFAOYSA-N 283.371 3.965 0 40 CHAB Cc1noc([C@H](C)Sc2cccc(Cl)c2)n1 69705618 OBHDXVHEUPGZFL-ZETCQYMHSA-N 254.742 3.885 0 40 CHAB O=C(NCCC1=CCCCC1)N(Cc1cccnc1)C1CC1 69743777 YXSDFFODTHWUHP-UHFFFAOYSA-N 299.418 3.646 0 40 CHAB Cc1ccccc1[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 69873977 DXORNEOQPBBWCL-HOTGVXAUSA-N 269.388 3.667 0 40 CHAB CC(C)N(c1ncccc1[C@@H]1CCCCN1)C(C)C 72213028 WYPPABJRQGMXLY-HNNXBMFYSA-N 261.413 3.519 0 40 CHAB c1ccc(Nc2ccc([C@H]3CCCCN3)cn2)cc1 72214091 POWJUMXTTWSKDU-OAHLLOKOSA-N 253.349 3.640 0 40 CHAB CC(C)N1CCCC[C@H]1CCc1ccnc(Cl)c1 72343846 PXUKXYLVNJDCCL-AWEZNQCLSA-N 266.816 3.931 0 40 CHAB O=C(CC1CCCC1)Nc1ccccc1CN1CCCC1 84504692 WEMRPHLVSSCTQR-UHFFFAOYSA-N 286.419 3.801 0 40 CHAB O=C(Cc1cc(F)ccc1F)Nc1cncc2ccccc12 89762596 HVJFVWJFZCGHBH-UHFFFAOYSA-N 298.292 3.694 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)OC[C@H]1C 95454865 CIEGLPHMFTWIRV-ZIAGYGMSSA-N 290.407 3.760 0 40 CHAB O=C(c1cccc(OC(F)(F)C(F)F)c1)C1CC1 95740208 UNURPQALDOZZHT-UHFFFAOYSA-N 262.202 3.516 0 40 CHAB Cc1cc(Cl)ccc1C(=O)c1ccc(N(C)C)cc1 95916481 NJAGCZBOFWHCRN-UHFFFAOYSA-N 273.763 3.945 0 40 CHAB O=C(O)c1sc(Cl)cc1OCc1cccc(F)c1 96510917 LCZOKZIMSGBEDU-UHFFFAOYSA-N 286.711 3.818 0 40 CHAB CC(C)c1ncc(CN(C)[C@H](C)c2cccnc2)s1 97375271 VZBYXTMSSWSFDC-GFCCVEGCSA-N 275.421 3.855 0 40 CHAB CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100742779 MQCKIWHLRVCIAY-XNRPHZJLSA-N 271.404 3.903 0 40 CHAB O=C(Nc1cccc2ccccc12)[C@@H]1C[C@H]2C=C[C@H]1C2 104104553 RURBIKBEHAPQDM-DUVNUKRYSA-N 263.340 3.991 0 40 CHAB COc1ccccc1[C@@H]1OC2=Nc3ccccc3NC2=C1O 104158731 KJIRBVQAGWFFCB-INIZCTEOSA-N 294.310 3.692 0 40 CHAB Brc1ccc([C@H]2C[C@@H]2Br)cc1 149280725 WTUXFTDVACRZOV-BDAKNGLRSA-N 275.971 3.700 0 40 CHAB O=C(c1ccccc1)N1CCS[C@@H](c2ccco2)CC1 207006426 LEUDZYDDCMFHKT-OAHLLOKOSA-N 287.384 3.600 0 40 CHAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccco1 209376811 PLMHCCMRQXCCRH-XFFZJAGNSA-N 279.217 3.791 0 40 CHAB CC[C@@H](C)Oc1ccc2c(c1)c(C(C)=O)c(C)n2C 223773372 NECBZFOAZDGRMG-SNVBAGLBSA-N 259.349 3.867 0 40 CHAB O=C(O)[C@H](Cc1ccc(F)cc1)Sc1ccccc1 225054963 CWOZFCMHUFEQKU-AWEZNQCLSA-N 276.332 3.614 0 40 CHAB O=C(CCc1ccc(Cl)cc1)NCCCc1ccco1 225311673 DHLNZONCIMVPBY-UHFFFAOYSA-N 291.778 3.615 0 40 CHAB Cc1cc(C)c(C(=O)NCCCc2ccco2)cc1C 225652322 JLQQQKPXENLUAN-UHFFFAOYSA-N 271.360 3.567 0 40 CHAB CNc1ccc(-c2cc3ccccc3oc2=O)c(OC)c1 226280799 WRFHJIZPISOPEO-UHFFFAOYSA-N 281.311 3.510 0 40 CHAB Cc1cn(C(C)C)nc1NCc1cccc(F)c1F 256053814 SZMZNBKOIZJAJQ-UHFFFAOYSA-N 265.307 3.663 0 40 CHAB c1ccc([C@H]2Cn3ccnc3CN2Cc2ccsc2)cc1 257336684 YPOMDYVZMPKMPR-MRXNPFEDSA-N 295.411 3.702 0 40 CHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2F)C1=O 409012250 PPWVSQATBFOCGN-KWINOFQJSA-N 279.336 3.661 0 40 CHAB CC1CC(COc2ccc(C=O)cc2Br)C1 575411014 VYBOOFKIFNDQGC-UHFFFAOYSA-N 283.165 3.687 0 40 CHAB Clc1ccc(C2=NN[C@@H](C(Cl)(Cl)Cl)C2)cc1 163904 OVIJHSVAAISBQV-SECBINFHSA-N 298.000 3.776 0 40 CHAB CCc1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 352731 UOAQTVXDFNJWIG-MOPGFXCFSA-N 299.414 3.973 0 40 CHAB CC(C)C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 379118 YBXQUQZIYFPVLW-UHFFFAOYSA-N 279.343 3.596 0 40 CHAB Cc1cccc(C(=O)Nc2cccc3cccnc23)c1 384144 YMYOMPUTQPZVKT-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB COc1cc2c(cc1O)[C@@H](C)[C@@H](c1ccccc1)O2 1560392 FRERFZXINXYHDY-HWPZZCPQSA-N 256.301 3.638 0 40 CHAB biogenic Cc1cc(C)c(S(=O)(=O)c2cccs2)c(C)c1 1595598 XMALHJZMBNKGMM-UHFFFAOYSA-N 266.387 3.506 0 40 CHAB CC[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1 2173226 VGNWNCUHBARGKV-HOTGVXAUSA-N 251.329 3.801 0 40 CHAB biogenic Fc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2ncnn21 2228186 QPLJPNAYDGEKKK-CVEARBPZSA-N 294.333 3.564 0 40 CHAB C[C@H]1N(O)[C@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C 2304316 QAFLQITYULGKSZ-HQJQHLMTSA-N 291.178 3.555 0 40 CHAB Clc1ccc(CSC2=NCCCN2)cc1Cl 3266984 YEXGPVYRWHMHIG-UHFFFAOYSA-N 275.204 3.576 0 40 CHAB CCOCCCNc1nc(C)nc2c1oc1ccccc12 5218444 HDOJXXQYCKTCID-UHFFFAOYSA-N 285.347 3.523 0 40 CHAB O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1ccccc1 5553113 RLOWORWEDZZSDF-SSLWBDRLSA-N 275.307 3.696 0 40 CHAB Cc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5765269 PAZNMSHBVDFVSA-NNYOOSKESA-N 286.415 3.918 0 40 CHAB in-vitro COc1ccc(Cl)cc1C(=O)Nc1nc(C)c(C)s1 6255080 YUDFTPUVKRHAGO-UHFFFAOYSA-N 296.779 3.674 0 40 CHAB Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1C 7070208 WTCRSSZZPBJPTC-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1 7522344 RQDRWKJZCCKUCG-GFCCVEGCSA-N 286.400 3.743 0 40 CHAB CCCCNC(=O)COc1ccc(Nc2ccccc2)cc1 7778976 JIIVTKZZFYWBQN-UHFFFAOYSA-N 298.386 3.725 0 40 CHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 8041188 XFUTYQJAMFEVSI-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB Nc1ccc(OC2CCCCC2)c(C(F)(F)F)c1 8702498 RQQUEJKIVZEVEX-UHFFFAOYSA-N 259.271 3.999 0 40 CHAB CCOc1cccc2cc(C(=O)Nc3cccc(C)n3)oc12 8736271 CTAMHXXCGIFEHW-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB Cc1ccc2nc(CNc3ccc(Cl)cc3)cn2c1 12062418 PISPRNOYCSJCJN-UHFFFAOYSA-N 271.751 3.908 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)s2)[C@@H]1C 13006294 GNAQFHZACMKTJG-BBBLOLIVSA-N 271.813 3.956 0 40 CHAB c1ccc(-c2ccc(COC[C@H]3CCCNC3)cc2)cc1 14631116 SLINNCCMERCMOC-KRWDZBQOSA-N 281.399 3.870 0 40 CHAB O=C(Nc1ccc(Cl)cc1F)N1CCCCCC1 20435905 WCZVQUFQUGQYFE-UHFFFAOYSA-N 270.735 3.887 0 40 CHAB Cc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)no1 22256787 OGULYUKSQRBKNV-LLVKDONJSA-N 288.372 3.514 0 40 CHAB Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cn1 23056868 ARVYOTXKPPICMA-QGZVFWFLSA-N 282.387 3.907 0 40 CHAB Cc1ccccc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 31561719 VWXAAMOAOAFOMP-UHFFFAOYSA-N 277.327 3.637 0 40 CHAB COc1ncccc1N[C@H](C)c1cc(C)sc1C 37070315 HZVYILHCJKXARA-SNVBAGLBSA-N 262.378 3.942 0 40 CHAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1 37979967 GPJNICYTLAAJSO-MRXNPFEDSA-N 269.319 3.803 0 40 CHAB Clc1ccccc1NCc1nc(-c2ccco2)no1 40493969 BQSLNYURFUTVMK-UHFFFAOYSA-N 275.695 3.595 0 40 CHAB O=C(c1cccc2c(Cl)cccc12)N1CCCC1 41127262 CBYCBQFQJPVJSF-UHFFFAOYSA-N 259.736 3.729 0 40 CHAB CCSc1ccccc1NC(=O)NCc1ccccn1 47856130 YUIGQQUDRWWQAD-UHFFFAOYSA-N 287.388 3.515 0 40 CHAB CCCc1n[nH]c(S[C@@H](C)c2cc(F)ccc2F)n1 48705882 BZWRPTIGEWNHPT-QMMMGPOBSA-N 283.347 3.889 0 40 CHAB COc1cc(Cl)ccc1C(=O)N[C@@H](C)c1ccccc1 49397747 LFVTTXMFYPUNIU-NSHDSACASA-N 289.762 3.840 0 40 CHAB CC[C@H](CO)N(Cc1ccsc1)Cc1sccc1C 55325620 WLZWOGXWZWZGGG-CQSZACIVSA-N 295.473 3.891 0 40 CHAB CCN(C(=O)c1ccc(OC)c(-c2ccccc2)c1)C1CC1 64906797 SCBQIKPTUKAVQG-UHFFFAOYSA-N 295.382 3.987 0 40 CHAB C[C@@H](Nc1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 72207645 HWBKXUHOEGJMFF-HIFRSBDPSA-N 290.407 3.887 0 40 CHAB CCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)C1CCCCC1 84761173 GGSVKMCQIHUTBS-DLBZAZTESA-N 286.419 3.907 0 40 CHAB CC(C)(C)[C@@H](OC(=O)CCc1cscn1)C(F)(F)F 89488377 YZHFNJJQEGZOLJ-SNVBAGLBSA-N 295.326 3.596 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc(C=O)c(C(F)(F)F)c1 95933235 QLNJXCDFOMWSFT-UHFFFAOYSA-N 289.253 3.865 0 40 CHAB CC(=O)CCCSc1ncnc2sc3c(c12)CCC3 95947998 OFAUKWHIUNGKPR-UHFFFAOYSA-N 292.429 3.641 0 40 CHAB CC[C@](C)(NC(=O)CCc1ccsc1)c1nccs1 96416600 LAPOVOPVJLUAMX-AWEZNQCLSA-N 294.445 3.579 0 40 CHAB CCCN(C)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 96447391 ZNSPGDLDWZZDOF-CQSZACIVSA-N 297.402 3.861 0 40 CHAB c1ccc(C2=C(c3ccccc3)NC(c3ccncc3)N2)cc1 100349202 AYFGLIIYKAFZSL-UHFFFAOYSA-N 299.377 3.799 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)cc1 113945542 UURIHBMZGBABNW-CQSZACIVSA-N 277.408 3.559 0 40 CHAB CCN(C(=O)c1csc2ccccc12)c1ccncc1 117664464 AQKFOLNGGDQASC-UHFFFAOYSA-N 282.368 3.963 0 40 CHAB CC(C)CC(=O)c1c(F)c(F)c(F)c(F)c1F 164047483 QEDDBZUSHHGCRV-UHFFFAOYSA-N 252.182 3.611 0 40 CHAB O=C1CN(Cc2ccccc2)Cc2ccc(Cl)cc21 196828878 ROWPRXGFODHMBU-UHFFFAOYSA-N 271.747 3.539 0 40 CHAB CC(C)[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 225206798 JJCDJKWMLNQZLN-ZIAGYGMSSA-N 291.435 3.912 0 40 CHAB Cc1ccc(CC(=O)Nc2c(F)cccc2F)c(C)c1 225323156 VTERNIKLSSFQKH-UHFFFAOYSA-N 275.298 3.763 0 40 CHAB CCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1C 226287500 FWQQQPUWIFLBQB-UHFFFAOYSA-N 294.354 3.504 0 40 CHAB COc1ccc(C(=O)C(C)(C)C)cc1C(F)(F)F 575242933 MMOFDJKALCTXMS-UHFFFAOYSA-N 260.255 3.943 0 40 CHAB Oc1c(Br)ccc2[nH]cc(C(F)F)c12 575629316 PUXXHJWHJOZOKP-UHFFFAOYSA-N 262.053 3.574 0 40 CHAB CC(=O)c1sccc1NC(=O)C(Cl)=C(Cl)Cl 159939 LPLXMEBAYHCZKZ-UHFFFAOYSA-N 298.578 3.775 0 40 CHAB O=C(Cc1c[nH]c2ccccc12)NC1CCCCCC1 235975 DEVJBKWYLLQAHT-UHFFFAOYSA-N 270.376 3.549 0 40 CHAB COc1ccc2nc(-c3ccccc3)cc(OC)c2c1 346079 FOPOJTZHLOWKRN-UHFFFAOYSA-N 265.312 3.919 0 40 CHAB biogenic Fc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 544143 GGNDFNXIQGGUFQ-UHFFFAOYSA-N 293.365 3.576 0 40 CHAB C[C@@]1(Cc2ccccc2)OC[C@H](c2ccccc2)O1 1685998 QZMPOBJTQZEMJT-IAGOWNOFSA-N 254.329 3.733 0 40 CHAB CC(=O)N(Cl)c1ccc2c(c1)Cc1ccccc1-2 1696178 XVJHERXDPYDRSF-UHFFFAOYSA-N 257.720 3.765 0 40 CHAB CCCCOC(=O)c1cccc2c1-c1ccccc1C2=O 1705607 OXCDIAMDERPRRV-UHFFFAOYSA-N 280.323 3.855 0 40 CHAB C[C@]12CCO[C@H]1N(Cc1ccccc1)c1ccccc12 2139524 NCMVPGABXJTSGZ-QZTJIDSGSA-N 265.356 3.711 0 40 CHAB biogenic O=C(Nc1ccc(Cl)cc1)C(F)(F)Oc1ccccc1 2153207 FMWQRDXJQOMYBK-UHFFFAOYSA-N 297.688 3.950 0 40 CHAB OC1[C@H]2CCC[C@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 2286012 USAKVYHRWZXKIZ-INDMIFKZSA-N 293.410 3.849 0 40 CHAB O=C(O)CC1(CC(=O)Nc2ccc(F)cc2)CCCCC1 3257396 NWYDUMKUVBYKQI-UHFFFAOYSA-N 293.338 3.580 0 40 CHAB Cc1ccc(NC(=O)c2cccc(Cl)c2)c(O)c1 4666470 USIHMHVBJNPUEY-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB CCC[C@@H]1O[C@@H](c2ccc3c(c2)OCO3)OC[C@@H]1CC 4682990 UKWMCOIACMBUOZ-RBOXIYTFSA-N 278.348 3.656 0 40 CHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H](O)c1ccccc1 4765180 XEOQHVVLXIUVHB-RKTXRCNFSA-N 290.403 3.724 0 40 CHAB Cc1ccc(NCc2cc3ccc(C)cc3[nH]c2=O)cc1 5025161 KKMJZRUXXLVJST-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB CN(C)c1ccc(C(=O)[C@H]2N=NC[C@H]2c2ccccc2)cc1 5495425 CQWMJXRESLIOML-IRXDYDNUSA-N 293.370 3.554 0 40 CHAB Cc1cc(C)c(NC(=O)[C@H]2CCCN2CC(C)C)c(C)c1 5697538 SHQXUKQYDKBFSW-MRXNPFEDSA-N 288.435 3.671 0 40 CHAB CCCCCC[C@@H](C)NCC(=O)Nc1ccccc1C 5973083 KEAFRUJUNVFMKI-OAHLLOKOSA-N 276.424 3.882 0 40 CHAB CCc1ccc(Nc2ncnc3sccc23)cc1 6910843 ZIBFQUGVUJYWTF-UHFFFAOYSA-N 255.346 3.997 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)NC2CCCC2)cc1C 7536296 ANLYMLQAJYFNHX-ZDUSSCGKSA-N 277.433 3.843 0 40 CHAB Cc1ccccc1-c1nc(CCc2ccccc2)n[nH]1 8048389 LPQNKXVCRMZNEU-UHFFFAOYSA-N 263.344 3.565 0 40 CHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(F)cc2)c1 10542745 HCIGUCSDBBPVQK-CYBMUJFWSA-N 271.335 3.934 0 40 CHAB CC(C)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 12386641 BHENPMXDWXVPJS-INIZCTEOSA-N 283.419 3.884 0 40 CHAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C)nc1 12539462 BYGVVZJMWADSPX-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CCN(CC)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 15439595 ZMWAGTIONMHZFZ-UHFFFAOYSA-N 286.350 3.924 0 40 CHAB CC(C)(C)c1ccc(OS(=O)(=O)c2cccs2)cc1 16092335 DLVUBCZWSVGGGI-UHFFFAOYSA-N 296.413 3.813 0 40 CHAB COc1ccc2[nH]c(-c3ccccc3)c(C(=O)O)c2c1 19724970 DNOXGOYWRKSHGV-UHFFFAOYSA-N 267.284 3.542 0 40 CHAB O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccco1 21693613 QTECJCWNXUEVEQ-UHFFFAOYSA-N 287.334 3.661 0 40 CHAB CN(Cc1ccc(F)cc1F)c1nc2ccccc2o1 24207765 BNMCKLXAKMOVNM-UHFFFAOYSA-N 274.270 3.742 0 40 CHAB C[C@H](NC(=O)c1csc2ccccc12)c1ccncc1 25379821 LTFVBRSOHCHCED-NSHDSACASA-N 282.368 3.787 0 40 CHAB O=c1[nH]c2ccccc2nc1/C=C\c1ccccc1Cl 31623932 XWFRGZASARPFOI-KTKRTIGZSA-N 282.730 3.747 0 40 CHAB CC(C)(C)C(=O)NCc1ccnc(Oc2ccccc2)c1 32931120 VXYJPXRISBVSFB-UHFFFAOYSA-N 284.359 3.536 0 40 CHAB Cc1noc(C)c1CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 35257777 CLNWRRSKWPLHBE-GHMZBOCLSA-N 276.302 3.502 0 40 CHAB CN[C@@H](Cc1ccccc1)c1ccc(Br)cc1 35463036 AAFFPYMHLOUAIZ-HNNXBMFYSA-N 290.204 3.952 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CC=CCC1 39975961 VTHMYVUDVMRKCS-TZMCWYRMSA-N 273.401 3.696 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 44839143 AGUFJSLTNXBERX-GDBMZVCRSA-N 277.408 3.766 0 40 CHAB O=C(CCc1ccc(F)cc1)NCCSC1CCCC1 46451043 XXIJCNUYNVWKAC-UHFFFAOYSA-N 295.423 3.550 0 40 CHAB Cc1cc(NC(=O)CS[C@@H](C)c2ccccc2F)no1 48681410 OCAPVGJGJASCHP-JTQLQIEISA-N 294.351 3.555 0 40 CHAB Cc1noc(CNc2ccccc2N(C)c2ccccc2)n1 55866440 LMYOPAYJAJGWSF-UHFFFAOYSA-N 294.358 3.758 0 40 CHAB Cc1cc(-c2csc(NC(=O)c3ccncc3)n2)c(C)o1 58153477 DCVFVWKAJAQIQX-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB C[C@@H](c1cccnc1)N(C)C(=O)CCC1CCCC1 68171996 SDNNEEIKEFVIOB-ZDUSSCGKSA-N 260.381 3.571 0 40 CHAB Cc1cc(C)cc(CN[C@H](C)c2c(C)nn(C)c2C)c1 71857584 YENNJJKZVXONQV-CYBMUJFWSA-N 271.408 3.505 0 40 CHAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C)n2)cc1 72357509 NTRRQRSESHIGMA-SFHVURJKSA-N 266.388 3.748 0 40 CHAB Clc1ccc([C@@H]2CCCN2c2ncnc3c2CCC3)cc1 76920848 LLHQNGLJBZQTBE-INIZCTEOSA-N 299.805 3.960 0 40 CHAB Cc1ccc([C@H](C)NCc2nnc(-c3ccccc3)s2)o1 90400938 VKFFVQLJGCUSGU-LBPRGKRZSA-N 299.399 3.957 0 40 CHAB C1CCN(C[C@@H]2CO[C@]3(CC[C@H]4CCCC[C@@H]4C3)O2)CC1 101120267 XBGMCAWJVPHBRD-BRSBDYLESA-N 293.451 3.574 0 40 CHAB C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@]45C[C@H]4CC[C@]35C)[C@@H]1CCC2=O 118934201 NIDVKCKYZAQGOI-CVQQXOHMSA-N 288.431 3.569 0 40 CHAB C[C@H]1CCCCN1C(=O)Nc1ccc2sncc2c1 194283802 ATBYYIHAJHALCY-JTQLQIEISA-N 275.377 3.703 0 40 CHAB CC(C)Nc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 199800311 MPXFNURAZPPXLU-UHFFFAOYSA-N 298.177 3.742 0 40 CHAB Brc1ccc([C@@H]2C[C@H]2CN2CCCC2)cc1 217809359 XRBKNTXOIJFLEF-JSGCOSHPSA-N 280.209 3.648 0 40 CHAB Cc1cccc(O[C@H](Cc2ccccc2Cl)C(=O)O)c1 225055653 MPOFUOYTMGOMJG-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB Cc1ccc(O[C@@H](Cc2c(C)cc(C)cc2C)C(=O)O)cc1 225135789 QSFJBZPNRSCWQT-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CC(C)COc1cccc([C@@H](C)NC[C@H]2CCCO2)c1 225167720 BDFLIQKTEPIHFU-RHSMWYFYSA-N 277.408 3.551 0 40 CHAB Cc1ccc([C@H](C)NC(=O)CCc2ccccc2F)cc1 225634233 KBVOJAUKFHPLMC-AWEZNQCLSA-N 285.362 3.944 0 40 CHAB CCOC(=O)CCCC(=O)c1cccc(Cl)c1C 575357969 PMBMKNGCHZCGIK-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB CC(C)(CNC(=O)c1ccsc1)c1ccsc1 1565519747 ZGLIVDXFOSKSDH-UHFFFAOYSA-N 265.403 3.517 0 40 CHAB F[C@]1(Br)[C@@H]2[C@H]1C1(CC1)[C@H]1[C@@H]3C=C[C@H]([C@@H]21)C31CC1 495165 PQVHWNNEXXKKEF-NKMCMAPESA-N 295.195 3.915 0 40 CHAB CCc1nnc2c3c(-c4ccccc4)c(C)sc3ncn12 1016320 WRDXYQGVQMOZEW-UHFFFAOYSA-N 294.383 3.877 0 40 CHAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 4659237 VBIQRRKCGQHGSA-AWEZNQCLSA-N 299.370 3.800 0 40 CHAB CCCCC(=O)Nc1cccc(NC(=O)CCCC)c1 6039798 SNYNJCTTYZZAFC-UHFFFAOYSA-N 276.380 3.944 0 40 CHAB COc1ccc(CCC(=O)Nc2ccccc2Cl)cc1 1516916 KOECBRGBPJTOTD-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB Cc1cccc(CNC(=O)CCSc2ccccc2)c1 10447512 PZKIAGXVOLVXFS-UHFFFAOYSA-N 285.412 3.794 0 40 CHAB CCOc1c(Cl)cc(CNC2CCCC2)cc1OC 8253377 SEXBHJRUDCBWDI-UHFFFAOYSA-N 283.799 3.780 0 40 CHAB Nc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 8701896 WDMKHZLFAQKGAJ-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CCC[C@H]1CCCN(C(=O)Nc2ccccn2)CC1 57986097 YDHHPLRORRJNEG-ZDUSSCGKSA-N 261.369 3.516 0 40 CHAB CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 20049124 VWOFUVLBSUJFBN-QGZVFWFLSA-N 299.370 3.585 0 40 CHAB CCOc1ccc(CNC2CCCC2)cc1Cl 10474053 DJNCDAIPZKXRON-UHFFFAOYSA-N 253.773 3.771 0 40 CHAB Cc1cs/c(=N/c2ccccc2)n1Cc1ccco1 102938441 ILJNOHUGKWDDCJ-FOCLMDBBSA-N 270.357 3.732 0 40 CHAB Cc1cc(F)ccc1-n1c(=S)[nH]c2ccsc2c1=O 100020607 SKIYUCFZWJFGBE-UHFFFAOYSA-N 292.360 3.557 0 40 CHAB Cc1ccc(-c2noc([C@@H]3COc4ccccc4O3)n2)cc1 12274838 FYBIEGAOLOQCDP-HNNXBMFYSA-N 294.310 3.558 0 40 CHAB C[C@@H](NCC[C@H]1CCCO1)c1ccc(Br)cc1 38095377 STZUTWBLZGEWQO-BXUZGUMPSA-N 298.224 3.669 0 40 CHAB COC(=O)c1oc(-c2ccccc2Cl)cc1C 4537856 AMBIYLCLUUZSPI-UHFFFAOYSA-N 250.681 3.695 0 40 CHAB CC(C)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 5601811 GNAGWARYAYUKLM-UHFFFAOYSA-N 293.363 3.750 0 40 CHAB O=C(C1CCC1)N1CCC[C@@H]1c1nc2ccccc2s1 9501454 UBYZIRBRGLWWIO-CYBMUJFWSA-N 286.400 3.760 0 40 CHAB CCO[C@@H]1C[C@H](N[C@@H](c2nccs2)C2CC2)C12CCC2 95987958 PGEDMXQKTUGDRT-BFHYXJOUSA-N 292.448 3.532 0 40 CHAB CCOc1ccc(NCc2ncc(C(C)(C)C)o2)cc1 75093232 FAFPFTABUPVNMF-UHFFFAOYSA-N 274.364 3.983 0 40 CHAB Cc1cc(C)cc([C@H](C)NCCc2nc(C(C)C)no2)c1 89556063 FIUKGPAPFGSGTC-AWEZNQCLSA-N 287.407 3.703 0 40 CHAB CCc1[nH]nc(NC(=O)Nc2ccccc2Cl)c1C 75610123 FQBUTRSVRQYWSW-UHFFFAOYSA-N 278.743 3.578 0 40 CHAB O=C(c1c(F)cccc1F)N1CC[C@H](c2ccsc2)C1 675008232 KTLICJMHAZRMSD-JTQLQIEISA-N 293.338 3.656 0 40 CHAB Cc1cc(Br)ccc1C(=O)c1ccccc1 36829432 MSXQCAYYJMQWAC-UHFFFAOYSA-N 275.145 3.989 0 40 CHAB CCn1cc(CNc2cccc(C(C)(F)F)c2)cn1 189546635 RQTBVSWPZQCBJF-UHFFFAOYSA-N 265.307 3.627 0 40 CHAB Cc1cc(N2CCCc3ccccc32)ncc1[C@H](C)O 72223917 AQHLSWMDFBMRPO-ZDUSSCGKSA-N 268.360 3.528 0 40 CHAB O=C(COCc1ccccc1)c1ccc(Cl)cc1 38303170 DKYHFDRJUDGGJH-UHFFFAOYSA-N 260.720 3.740 0 40 CHAB Clc1ccc(Cc2cccc([C@H]3CCCN3)n2)cc1 72356431 RSZGJWGZTQCTGB-OAHLLOKOSA-N 272.779 3.750 0 40 CHAB C[C@@H](Sc1ccccn1)C(=O)NCCC1=CCCCC1 71877677 NCOTTZVIAWVONW-CYBMUJFWSA-N 290.432 3.569 0 40 CHAB Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1 40620988 IDHISUFCGZPDMC-UHFFFAOYSA-N 267.372 3.746 0 40 CHAB Fc1ccc(Cn2ccc3c(=S)[nH]ccc32)cc1 45795889 LFNZZJUMAMVRHE-UHFFFAOYSA-N 258.321 3.886 0 40 CHAB CCc1ccc(CC(=O)NCCCc2ccc(F)cc2)cc1 224253281 WKCMDZCJYDKWJO-UHFFFAOYSA-N 299.389 3.680 0 40 CHAB C[C@H](OC(=O)c1ncoc1[C@H]1CCCO1)C1CCCCC1 96407075 AEMSRZPNHQPWKY-WCQYABFASA-N 293.363 3.652 0 40 CHAB Cc1ccc(CCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 260790451 BDOPXSCOYPXFEC-YESZJQIVSA-N 271.404 3.541 0 40 CHAB Cc1ccc(N[C@@H](C(=O)N(C)C)c2ccccc2)c(C)c1 39982327 YLDPWOVNFJJGIY-QGZVFWFLSA-N 282.387 3.545 0 40 CHAB O=C(/C=C/c1ccc(O)cc1)OC/C=C/c1ccccc1 40845735 JDBSEUVQZVQSCN-NJPWYCGFSA-N 280.323 3.662 0 40 CHAB biogenic Cc1cccc(-n2nc(-c3ccccc3)cc2O)c1 100070221 STMRLLCGFXPXLF-UHFFFAOYSA-N 250.301 3.553 0 40 CHAB CC(C)C[C@H](N)C1(c2cccc(F)c2F)CCC1 1772714912 JPAIHBBEKWXXQK-ZDUSSCGKSA-N 253.336 3.760 0 40 CHAB Cc1cccc(C)c1OCC(=O)NC1CCCCCC1 5062403 JWORJSFJAYFGSP-UHFFFAOYSA-N 275.392 3.521 0 40 CHAB O=C1c2ccccc2N[C@H]2C(=C3CCCC3)CC[C@@H]12 5338550 DSBMMZMTLMBWEM-ZBFHGGJFSA-N 253.345 3.944 0 40 CHAB CCCCNC(=O)c1ccc(OCCC)c(OCCC)c1 5419812 PHLSCWQCNUWTRI-UHFFFAOYSA-N 293.407 3.794 0 40 CHAB CCCCCNC(=S)Nc1ccc(Cl)cc1 13818871 NWEZHLYAFNVTSQ-UHFFFAOYSA-N 256.802 3.817 0 40 CHAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc(Cl)c1 16608890 URZHJFNZYVFTGS-PHIMTYICSA-N 281.787 3.639 0 40 CHAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCCC(C)C 16757220 BMZFDHPWORLHLK-SNAWJCMRSA-N 298.766 3.871 0 40 CHAB CCC(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226352432 DUHXJOGHJVOEDC-UHFFFAOYSA-N 293.706 3.647 0 40 CHAB O=C(c1cc(F)ccc1F)c1ccccc1Cl 34976473 LZHKMSDKSUGAFO-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB in-vitro O=C(c1ccc(F)cc1F)N1CC[C@@H](c2cccs2)C1 826573220 CTRHCDUYHPSMGV-SNVBAGLBSA-N 293.338 3.656 0 40 CHAB O=C(Nc1ccc2sncc2c1)c1ccc(F)cc1 188235789 DRXGEXBJPHYYBI-UHFFFAOYSA-N 272.304 3.688 0 40 CHAB COc1ccc2ccccc2c1C(=O)C(F)(F)Cl 575242779 ILVZLGPOEJPBLQ-UHFFFAOYSA-N 270.662 3.863 0 40 CHAB COc1ccccc1[C@@H](C)NCc1sccc1C 20096644 MMERQMLMIXAIQY-GFCCVEGCSA-N 261.390 3.916 0 40 CHAB CC(C)OCc1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 40122263 DBAFOUDABOAKSC-HNNXBMFYSA-N 287.403 3.584 0 40 CHAB O=C(NCc1ccccc1F)Nc1cccc2ncccc12 40103570 WGXXUWZDZMZNQX-UHFFFAOYSA-N 295.317 3.696 0 40 CHAB C[C@H](NCc1cscn1)c1cccc(Cl)c1 40420815 FPWSPMVHRSWRMD-VIFPVBQESA-N 252.770 3.647 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccncc2)c1 32907365 TVWWZEARYRBRNR-MRXNPFEDSA-N 281.359 3.759 0 40 CHAB CCc1ccc(OCc2cccc(C(=O)O)c2)cc1 466629 QWTJOHVRGADVRT-UHFFFAOYSA-N 256.301 3.526 0 40 CHAB CC(C)[C@@H](NC(=O)C1CCOCC1)c1ccc(Cl)cc1 22284770 MFWYUQFOOWCVKZ-OAHLLOKOSA-N 295.810 3.580 0 40 CHAB COc1cccc(-c2csc(Nc3ccccn3)n2)c1 22421000 OXVXTLVPYYOMND-UHFFFAOYSA-N 283.356 3.957 0 40 CHAB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2)cc1 359700 GSHDUYGZSFGJIY-XNTDXEJSSA-N 296.757 3.566 0 40 CHAB COc1ccccc1OC(=O)c1ccccc1Cl 385920 PEIYYNSPTJHVPY-UHFFFAOYSA-N 262.692 3.568 0 40 CHAB c1ccc(C2(Cc3c[nH]c4ccccc34)OCCO2)cc1 493040 DZLBDPJECGPMQR-UHFFFAOYSA-N 279.339 3.610 0 40 CHAB COc1ccc2c(c1)CCc1c-2ccc(C)c1CCC(=O)O 1556129 ZKNUOZRSLUIOPF-UHFFFAOYSA-N 296.366 3.786 0 40 CHAB COc1ccc2c(c1)CS[C@@H](c1ccccc1)[C@H]2O 1562473 KKWNEWBJLXSFCB-HOTGVXAUSA-N 272.369 3.717 0 40 CHAB CCCCc1ccc(NC(=O)c2cccnc2)cc1 1717934 UGTKORWNEHKRJF-UHFFFAOYSA-N 254.333 3.677 0 40 CHAB Nc1c(-c2ccccc2)nnn1-c1ccc2ccccc2c1 1742088 RUXQPPUXJYDKPN-UHFFFAOYSA-N 286.338 3.670 0 40 CHAB CC(C)n1cnc2cc(NCc3ccco3)ccc21 2328616 ZAFYMYLPBUIHJJ-UHFFFAOYSA-N 255.321 3.822 0 40 CHAB Cc1ccc2nc(C(F)(F)F)cc(SCCN)c2c1 2525209 BBMCLMUUDPOABI-UHFFFAOYSA-N 286.322 3.613 0 40 CHAB biogenic CC(=O)Nc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1 3417651 GNWAIYVJBSCUPU-CYBMUJFWSA-N 296.370 3.777 0 40 CHAB CC(=O)Nc1ccc(OCC(=O)c2cc(C)ccc2C)cc1 3451280 XLJWHBNPXLZBOT-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB CCNCc1ccc(OCc2cccs2)c(OCC)c1 4206366 NQKVBANGTFUXBO-UHFFFAOYSA-N 291.416 3.835 0 40 CHAB C[C@H]1CCC[C@H](C)N1Cc1cn2cc(Cl)ccc2n1 5072462 GCTZSZZKSHJBJN-RYUDHWBXSA-N 277.799 3.751 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 5442902 VOUYMKBAKVNXPD-QGZVFWFLSA-N 265.356 3.802 0 40 CHAB CCc1ccc(OCc2cnc(Cl)s2)cc1 5954391 DSTJJGSFKGPALU-UHFFFAOYSA-N 253.754 3.938 0 40 CHAB CCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C 6308743 HAVBEVLXEGXARD-UHFFFAOYSA-N 299.399 3.511 0 40 CHAB CC(C)(C)NC(=O)NC(=S)c1cccc2ccccc12 6386271 MEJCQESONHBRCS-UHFFFAOYSA-N 286.400 3.613 0 40 CHAB CCSc1nc(C(F)(F)F)nc2ccccc12 6589523 OKQSCZBZKUUMJP-UHFFFAOYSA-N 258.268 3.761 0 40 CHAB Cc1ccc(-c2nnc([C@@H](C)Sc3ncccn3)o2)cc1 6986856 HLUXBKZSMTXHOH-LLVKDONJSA-N 298.371 3.688 0 40 CHAB Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1F 7952395 WGJYQWBEIRGDBY-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB Cc1ccc(NC(=O)c2cccc3cccnc23)cc1 8130637 WZKBPTIRLCFSPF-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB CNCCCNCc1ccc(-c2cccc(Cl)c2C)o1 8548497 JAVNUUDMABRLEC-UHFFFAOYSA-N 292.810 3.608 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)s1 9256950 HHPYLDCBDXCYQV-UHFFFAOYSA-N 271.263 3.726 0 40 CHAB c1ccc(-c2nc(Cn3cnc4ccccc43)co2)cc1 9368743 NAOVHBLLLJLUFA-UHFFFAOYSA-N 275.311 3.740 0 40 CHAB COc1ccccc1NC(=O)CCCc1cccs1 9457071 WQWIEXUAWPGUKK-UHFFFAOYSA-N 275.373 3.718 0 40 CHAB CSc1ccccc1C(=O)N1c2ccccc2C[C@H]1C 10449672 IHBXCXDIUUWGPI-GFCCVEGCSA-N 283.396 4.000 0 40 CHAB CCCCCn1c(S)nnc1COc1ccc(C)cc1 11692633 CKBQROTVJSQHLO-UHFFFAOYSA-N 291.420 3.644 0 40 CHAB O=C(NCCCc1ccccc1)c1cccc2cccnc12 13000958 NUWOCZSXANSCGA-UHFFFAOYSA-N 290.366 3.597 0 40 CHAB C[C@H]1C(=O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 13119960 IKSGNXSKFBMJLS-XCRHUMRWSA-N 265.356 3.668 0 40 CHAB CCCCCCOc1ccc(O[C@@H](CC)C(=O)O)cc1 13609228 FZQMMYDBJWKKSW-HNNXBMFYSA-N 280.364 3.888 0 40 CHAB Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccccc2F)c1 14573702 WGAJUDMAXGYYLF-AWEZNQCLSA-N 285.362 3.862 0 40 CHAB Cc1ccc([C@H](NC(=O)C2CC2)c2ccccc2)cc1 14577235 XNSLHZZIGUHNIU-QGZVFWFLSA-N 265.356 3.611 0 40 CHAB Cc1ccc2cccc(NC(=O)c3ccccc3F)c2n1 15835274 UYLKVOWYEQUCGR-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1O 19838235 GIHYBCOTAXOHGZ-UHFFFAOYSA-N 295.260 3.972 0 40 CHAB CCN(CC)CCNCc1ccc(-c2ccccc2F)o1 19872547 CDCKCUIJLHGLAS-UHFFFAOYSA-N 290.382 3.517 0 40 CHAB Cc1occc1C(=O)Nc1ccc(-c2nccs2)cc1 20011988 YNPAXTXKYTTZRH-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB CCCC[C@H](CC)COc1cc(C(=O)O)cc(C(=O)O)c1 20096643 GPCHPCGSBLALBM-NSHDSACASA-N 294.347 3.678 0 40 CHAB Nc1nc2ccc(OCc3ccccc3F)cc2s1 20133678 AUGXRMAECMBTNL-UHFFFAOYSA-N 274.320 3.597 0 40 CHAB CCc1cccc(NC(=O)c2noc3c2CCCCC3)c1 20213355 ONACYNGKDPLEQE-UHFFFAOYSA-N 284.359 3.758 0 40 CHAB Cc1ccc(OCC2CCNCC2)c(C(C)(C)C)c1 20221689 BLNYVYGKGOIRNQ-UHFFFAOYSA-N 261.409 3.671 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](CC)Oc1cccc(C)c1C 20452573 MCVKXQHZGUQAKK-HIFRSBDPSA-N 277.408 3.766 0 40 CHAB Cn1cnnc1SCc1sc2ccccc2c1Cl 24951626 ZPNBAVAWRAZYNW-UHFFFAOYSA-N 295.820 3.976 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)NCCC(C)C)cc1 31866841 LMHHZRRHEHDAHO-ZDUSSCGKSA-N 265.422 3.638 0 40 CHAB Cc1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c(C)s1 32739381 AHEAHXWUQLXIKT-JTQLQIEISA-N 299.399 3.732 0 40 CHAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC=CCC1 32930669 LORLNTPBFBXZME-TZMCWYRMSA-N 277.795 3.744 0 40 CHAB Nc1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1 36407719 LIUOORDMFAVVFQ-UHFFFAOYSA-N 299.761 3.687 0 40 CHAB in-vitro COc1ccc(C(=O)c2c(F)cccc2Cl)cc1OC 36942867 KEFQKJGAOTXPNE-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB Cc1ccc(Nc2ccc(N)cc2C(=O)O)cc1Cl 37930234 RRXHDQXJEMONGS-UHFFFAOYSA-N 276.723 3.672 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)C(C)C)c(Br)c1 40023861 XBOIDRSPBAUWSC-JTQLQIEISA-N 299.212 3.924 0 40 CHAB CC(=O)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 40418683 AZZQDHCVULGBMW-UHFFFAOYSA-N 278.311 3.623 0 40 CHAB CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 41129906 BCTNREQPGVOMQP-UHFFFAOYSA-N 278.739 3.523 0 40 CHAB Cc1cc(C(=O)CC(C)C)ccc1Br 49845208 NKTPIMUVNVBQSR-UHFFFAOYSA-N 255.155 3.986 0 40 CHAB CC(C)=C[C@@H]1[C@@H](C(=O)N(C)Cc2ccccc2)C1(C)C 53459059 CZVGRXXWFAQPQU-CVEARBPZSA-N 271.404 3.883 0 40 CHAB Cc1ccsc1CNCc1ccccc1Cl 55027747 JETCNPGDGHDBGZ-UHFFFAOYSA-N 251.782 4.000 0 40 CHAB C[C@@H]1CCN(C(=O)c2ccco2)c2ccccc2S1 57504052 PDTKPLMYSDLEKB-LLVKDONJSA-N 273.357 3.811 0 40 CHAB Cc1ccsc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 57939997 SSPQMLQLBZIIDL-UHFFFAOYSA-N 299.395 3.692 0 40 CHAB Cc1nc(Cl)cc(N2CCC[C@@H]2c2ccsc2)n1 58426985 IFVBBPYDWRDLTH-LLVKDONJSA-N 279.796 3.841 0 40 CHAB c1ccc(C(OC[C@H]2CCCCN2)c2ccccc2)cc1 71256393 ADYVVJDGFHEUSH-GOSISDBHSA-N 281.399 3.935 0 40 CHAB CCN1CCCC[C@H]1c1cccnc1N1CCCCC1 72216119 LWUATPGLNROSFR-INIZCTEOSA-N 273.424 3.619 0 40 CHAB Cc1cc2[nH]c(-c3ccccc3N)nc2cc1Cl 73634799 ITRQAOGDTPYPCG-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB CC(C)Cc1noc(CN2c3ccccc3CC[C@@H]2C)n1 78241841 KZSKUAJENIDMOM-ZDUSSCGKSA-N 285.391 3.609 0 40 CHAB COC(=O)c1cccc(NCc2ncc(C(C)C)o2)c1C 85271568 KBLQWPOEUQJFHD-UHFFFAOYSA-N 288.347 3.505 0 40 CHAB CCCCc1sc(C(=O)O)cc1Br 85393179 JCHBNKLRAWJYOY-UHFFFAOYSA-N 263.156 3.551 0 40 CHAB CC(C)Oc1cccc(C(=O)COc2ccccc2)c1 94834372 WGXGGTGBXFDOGD-UHFFFAOYSA-N 270.328 3.736 0 40 CHAB C[C@@H]1[C@@H](NC(=O)/C=C/c2ccc(Cl)nc2)CCC[C@H]1C 108136897 FOCMCWDVQRCIOP-AXTCKOSQSA-N 292.810 3.689 0 40 CHAB Nc1[nH]nc(C(F)(F)F)c1-c1cccc2ccccc12 115730520 URYXFJKJLPWQFZ-UHFFFAOYSA-N 277.249 3.831 0 40 CHAB O=C(c1ccccc1C(F)(F)F)C(F)(F)Cl 163983502 JUGRCFVHOJNISV-UHFFFAOYSA-N 258.573 3.720 0 40 CHAB Cc1ccc(C)c(C[C@@H](Oc2ccccc2C)C(=O)O)c1 225027558 LWOQYNVHPHNUBO-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB CCCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1 225705980 FDRCCLNUVHRLRO-UHFFFAOYSA-N 291.391 3.763 0 40 CHAB CCCCOc1ccc(NC(=O)C2(C)CCCC2)cn1 225880788 JVDXUQDUBQHYLC-UHFFFAOYSA-N 276.380 3.779 0 40 CHAB Fc1ccc(Br)c(NCC(F)(F)F)c1 232246015 GEMCOWCHRFHXRK-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB NC1(c2cccc3cc(Br)ccc23)CC1 258552323 NXZTXKCAGPLDJA-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB CCC[C@@H]1C[C@H](c2nc(-c3nc(C)cs3)no2)CCO1 390833315 FZAHYOGKOUEEEV-GHMZBOCLSA-N 293.392 3.564 0 40 CHAB O=C(Nc1ccc(F)cn1)Nc1ccccc1C(F)(F)F 1202154320 YEDOAKPYZGJJEK-UHFFFAOYSA-N 299.227 3.884 0 40 CHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)C 281537 LMNXFXBYXBVQAH-VIFPVBQESA-N 271.813 3.735 0 40 CHAB CSc1nnc(COc2ccc(Cl)cc2Cl)o1 1104250 GCYSWFKCWFFRKC-UHFFFAOYSA-N 291.159 3.677 0 40 CHAB Cc1cccc2c1C[C@]1(C2)Cc2c(C)cccc2C1=O 1855395 NUTHRUHEUNVISX-LJQANCHMSA-N 262.352 3.827 0 40 CHAB CCCCC[C@@H](C(=O)O)[C@H](C)CC(=O)NC1CCCCC1 2227722 DDWWBWGWCOFFDU-UKRRQHHQSA-N 297.439 3.743 0 40 CHAB Cc1ccc(NC(=O)N(C)Cc2ccccc2)cc1 2592593 GRQGITNZCADPCG-UHFFFAOYSA-N 254.333 3.659 0 40 CHAB CC(=O)Nc1nc2c(Cl)ccc(Cl)c2s1 2713877 ZZUKLMXCEOPRDT-UHFFFAOYSA-N 261.133 3.562 0 40 CHAB CCCC[C@@H](CC)Cn1c(=S)[nH]c2ncccc2c1=O 2959778 OLSZWPDQBJEFQZ-LLVKDONJSA-N 291.420 3.670 0 40 CHAB Cc1ccccc1NC(=O)c1nc2ccccc2s1 3329268 CACLKCUGIOIBGE-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB CCCCCC(O)(CCCCC)C(=O)Nc1ccccn1 3671192 KJNSQHCWXTYOAQ-UHFFFAOYSA-N 292.423 3.912 0 40 CHAB COC(=O)/C=C/c1ccc2noc(-c3ccc(C)cc3)c2c1 4539328 MKVUIFACHRPMKD-UXBLZVDNSA-N 293.322 3.989 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1 5483791 SKAAIEVEVCBTTH-DHZHZOJOSA-N 257.720 3.992 0 40 CHAB COc1ccc(COC(=O)c2c[nH]c3ccccc23)cc1F 6115082 JVEKLBZWTLUDKP-UHFFFAOYSA-N 299.301 3.673 0 40 CHAB O=C(NCCCCc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 6227637 DTOJOQTXTNWPRQ-RBUKOAKNSA-N 293.410 3.929 0 40 CHAB COc1cccc(CNC(=O)C[C@@H](C)c2ccccc2)c1 8314259 OMXGSIUPNXCIOU-CQSZACIVSA-N 283.371 3.505 0 40 CHAB O=C(OCC(=O)c1cccc2ccccc12)c1ccccc1 10867891 LLMGORCPADSESB-UHFFFAOYSA-N 290.318 3.880 0 40 CHAB CN1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 13136778 GWFPZNWTHIITBJ-SJORKVTESA-N 299.801 3.868 0 40 CHAB CC[C@H](C)NC(=O)NCc1ccc(Cl)c(Cl)c1 13746301 GYTUOZPOQWLRLH-QMMMGPOBSA-N 275.179 3.591 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 14603082 AGERWBYLPJUVRF-IINYFYTJSA-N 298.411 3.893 0 40 CHAB C/C(=C\c1ccccc1)CN1CC[C@@H]2NCCCCC[C@H]21 19712163 XTMHTUFIEHTWHS-VPFHTWTBSA-N 284.447 3.696 0 40 CHAB CC(C)C[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)O 19787816 BSCQIEMIAQGBKH-GFCCVEGCSA-N 290.190 3.582 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCC[C@H](C)C1 20459781 XEOZATYRTSGXIK-GOEBONIOSA-N 289.419 3.719 0 40 CHAB Cc1nc2ccc(C(=O)Nc3cccc(F)c3)cc2nc1C 23330879 AALSLPCZLQKDPW-UHFFFAOYSA-N 295.317 3.638 0 40 CHAB C[C@H]1CCCC[C@@H]1N(C)CCC(=O)Nc1ccccc1 32777676 CJQIVLRRDCRIRZ-HOCLYGCPSA-N 274.408 3.526 0 40 CHAB Cc1ccccc1OCCCCn1nnc2ccccc21 35143491 BWXODXZBHJSGPH-UHFFFAOYSA-N 281.359 3.599 0 40 CHAB CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 35381274 MTVIUPNATMVCDH-UHFFFAOYSA-N 279.261 3.982 0 40 CHAB CC(C)(C(=O)Nc1cccc(F)c1)c1ccccc1 36047865 YWSSFERUKPEABW-UHFFFAOYSA-N 257.308 3.742 0 40 CHAB CC(C)n1cnnc1S[C@H](C)c1ccc(F)cc1 40456780 VREYAPJPVDIXOQ-SNVBAGLBSA-N 265.357 3.851 0 40 CHAB Cc1ccc(OCC(=O)Nc2c(C)cc(N)cc2C)cc1C 45890165 GFWHDNHUFFHIPU-UHFFFAOYSA-N 298.386 3.520 0 40 CHAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(F)cc1 55531782 VVQUGKHKNAMZNC-INIZCTEOSA-N 269.319 3.803 0 40 CHAB COc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1OC 57156191 ADSQBMVGQCUIFD-UHFFFAOYSA-N 293.407 3.648 0 40 CHAB Cc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 57897329 CNXWSYYNTZRFTE-SOUVJXGZSA-N 274.408 3.585 0 40 CHAB C[C@H](NC(=O)C1(c2ccccc2F)CC1)c1ccccc1 62074935 FEINRXDSFFFCGJ-ZDUSSCGKSA-N 283.346 3.735 0 40 CHAB CCN(Cc1ccoc1)C(=O)N[C@@H](C)c1ccc(F)cc1 65535831 CTOLOJBULSITAA-LBPRGKRZSA-N 290.338 3.711 0 40 CHAB C[C@@H](c1cccc(O)c1)N(C)C(=O)NC1CCCCCC1 67581451 NNLIYRNVIPHKLR-ZDUSSCGKSA-N 290.407 3.817 0 40 CHAB CCc1ccc(NC(=O)CCc2ccc3c(c2)CCO3)cc1 68741196 BVTBASXFZBNUFA-UHFFFAOYSA-N 295.382 3.755 0 40 CHAB O=C(O)c1ccc(-c2ccnc3[nH]ccc23)cc1Cl 72164653 WCPIVZAERVRKEK-UHFFFAOYSA-N 272.691 3.582 0 40 CHAB CCOC(=O)C[C@H](c1cccc(Cl)c1)N(CC)CC 72210301 DGDZCGBZISARCE-CQSZACIVSA-N 283.799 3.676 0 40 CHAB Sc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72216991 ONIYTUUGSULYPD-HNNXBMFYSA-N 270.401 3.707 0 40 CHAB CCN1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 72219176 GNGLWESGCAOIIN-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB Cc1ccc2nccc(Nc3cccc(C(=O)O)c3)c2c1 73738628 PADFMSHNRKCYMS-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB O=Cc1cc(Br)c(-c2ccccc2)o1 85395509 WIBVYLRIFQXHRW-UHFFFAOYSA-N 251.079 3.522 0 40 CHAB CC[C@@H](C)[C@@H]1CCCCN1c1ccc(C(F)(F)F)nn1 95985532 WBBSHRGEYHVTAG-MNOVXSKESA-N 287.329 3.900 0 40 CHAB C[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(F)c2)o1 97377473 DUBTYBVPTYPING-RISCZKNCSA-N 289.354 3.544 0 40 CHAB COc1ccc(OC)c2c1[C@@H]1[C@@H]3[C@H]4[C@H]5[C@@H]3[C@@]13CC=CC[C@]53[C@H]24 104289865 BYMOLZMTZMIORZ-SSKHUGDLSA-N 292.378 3.727 0 40 CHAB Brc1cccc2nc3c(nc12)[C@H]1CC[C@H]3C1 217621577 SVFPUONBPBATIL-YUMQZZPRSA-N 275.149 3.757 0 40 CHAB CCCCN[C@@H](CC)c1ccc(OCC)c(OC)c1 222638475 BUPLGEJTHLMBNT-AWEZNQCLSA-N 265.397 3.935 0 40 CHAB CC[C@H](C)Oc1ccc2c(c1)c(C(C)=O)c(C)n2C 223773428 NECBZFOAZDGRMG-JTQLQIEISA-N 259.349 3.867 0 40 CHAB CC[C@H](C)n1ccc(NCc2cnn(C3CCCC3)c2)n1 256050350 DSOILNQFANGJSL-ZDUSSCGKSA-N 287.411 3.778 0 40 CHAB CCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)ccc1Cl 1857793791 RGAVOGLXYWCFFO-SCZZXKLOSA-N 259.132 3.660 0 40 CHAB CC1(C)Oc2ccccc2[C@@]1(O)c1ccc2ccccc2n1 48809 VMVOHCXJMWLUFC-LJQANCHMSA-N 291.350 3.642 0 40 CHAB CCCC(=O)c1cc2cc(Br)ccc2oc1=O 91814 RDBKKAPCFCJFND-UHFFFAOYSA-N 295.132 3.538 0 40 CHAB O=C(Oc1ccc(Cl)cc1Cl)c1ccco1 240610 RFTYAVARZFBUHQ-UHFFFAOYSA-N 257.072 3.806 0 40 CHAB O=C(Nc1ncc(-c2ccccc2)s1)c1ccco1 364582 RQNVPROBICJGJD-UHFFFAOYSA-N 270.313 3.655 0 40 CHAB Cc1ccc(Nc2cccc(C(F)(F)F)c2)nn1 715711 VQBGNKZBOLTIPN-UHFFFAOYSA-N 253.227 3.547 0 40 CHAB O=c1ccc2ccc(OCc3ccccc3F)cc2o1 1465634 ULPKRYYPVMQRFT-UHFFFAOYSA-N 270.259 3.511 0 40 CHAB biogenic CC1(C)CCc2cc3c(cc2O1)OC(C)(C)CC3=O 1617592 ULAUJTKIJCQRNQ-UHFFFAOYSA-N 260.333 3.534 0 40 CHAB COC(=O)C[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1 1632905 RJKXANGMEGTSQG-QFBILLFUSA-N 280.367 3.944 0 40 CHAB CCO[C@]1(c2ccccc2)Oc2ccccc2C=C1OC 1686387 VJOWBNCLHOOQKK-GOSISDBHSA-N 282.339 3.956 0 40 CHAB O=C(c1ccc(F)cc1)c1cccc(CN2CCCC2)c1 2515065 RLMPNQLXIQFBIM-UHFFFAOYSA-N 283.346 3.653 0 40 CHAB COc1ccc(NC(=S)Nc2ccccc2)cc1OC 3156751 IJUZJRJZIXMOQF-UHFFFAOYSA-N 288.372 3.513 0 40 CHAB CCOc1ccccc1OC(=O)c1ccc2ncsc2c1 3248798 UDCFNOTXGGZWAG-UHFFFAOYSA-N 299.351 3.914 0 40 CHAB COc1cc(OC)cc(C(=O)Nc2cc(C)cc(C)c2)c1 3566019 SVYSPKWKACAVPW-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB CC(C)Sc1nc(N)c2c3c(sc2n1)CC[C@@H](C)C3 4663670 NMYAMAORNIEZLN-MRVPVSSYSA-N 293.461 3.899 0 40 CHAB CCc1nc(N2CCCC2)c2oc3ccccc3c2n1 5215405 YSVRJOQMKZQYHT-UHFFFAOYSA-N 267.332 3.539 0 40 CHAB O=C(/C=C/c1ccccc1)OC[C@@H]1CCCN2CCCC[C@@H]12 5772384 ZSWODZQPBXFMTI-JWSDNSILSA-N 299.414 3.508 0 40 CHAB O=[P@@]1(Oc2ccccc2)OCc2ccccc2O1 6116025 BXVSAYBZSGIURM-SFHVURJKSA-N 262.201 3.783 0 40 CHAB COc1cc2nc(Cl)cc(Cl)c2cc1OC 6745714 WIGWEFGNYKPEKF-UHFFFAOYSA-N 258.104 3.559 0 40 CHAB CN(C(=S)Nc1ccc2conc2c1)c1ccccc1 6949509 FSJIQRNGHGWVMC-UHFFFAOYSA-N 283.356 3.661 0 40 CHAB CC(=O)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 7608450 CJJCLOUZLGDBPA-UHFFFAOYSA-N 281.355 3.806 0 40 CHAB CCc1cccc(C)c1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 7652889 CJDFSYFJGJHVCY-XYPWUTKMSA-N 299.414 3.891 0 40 CHAB Cc1ccccc1SCC(=O)Nc1ccccc1F 8289267 PLDIYRVGADEBDV-UHFFFAOYSA-N 275.348 3.865 0 40 CHAB C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C1CC1 8729256 PDDUWHMNGIYSKL-RXMQYKEDSA-N 264.177 3.583 0 40 CHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)cc2C)c1C 8849527 CEZIVNLRIYVGMC-UHFFFAOYSA-N 288.322 3.534 0 40 CHAB COc1ccc(OC)c(-c2nc3ccc(C)cc3[nH]2)c1 11902728 ATCAKFRPAVUIJG-UHFFFAOYSA-N 268.316 3.556 0 40 CHAB Cc1cc2occ(CC(=O)N3CCC(C)CC3)c2cc1C 12792828 GOIHIRREFSUXND-UHFFFAOYSA-N 285.387 3.851 0 40 CHAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)C1CC1 13004380 HQIXRLOYJGKVHO-UHFFFAOYSA-N 284.384 3.647 0 40 CHAB Cc1cc(N2CCCC[C@H]2C)nc(-c2ccccc2O)n1 13121767 FMZBBVHDLZXBKP-CYBMUJFWSA-N 283.375 3.536 0 40 CHAB COc1ccc(O)c(-c2cc(-c3cccs3)[nH]n2)c1 13124395 ZROWABYYRXSUOF-UHFFFAOYSA-N 272.329 3.519 0 40 CHAB CC[C@H](O)c1ccccc1NC(=O)c1ccc(F)cc1 13957425 VOWQGYODSVOESD-HNNXBMFYSA-N 273.307 3.521 0 40 CHAB CCc1ccc(C(=O)Nc2cc(OC)cc(OC)c2)s1 14069463 IYVOEARHKCHXDC-UHFFFAOYSA-N 291.372 3.580 0 40 CHAB CC[C@@H](C)Cn1c(CN2CCCC2)nc2ccccc21 15922132 WAGHTVDCPIAPRI-CQSZACIVSA-N 271.408 3.678 0 40 CHAB Cc1cccc(C)c1/C=C\S(=O)(=O)c1ccccc1 16954608 UDNISBFLONWFHY-QXMHVHEDSA-N 272.369 3.748 0 40 CHAB CN(Cc1ccccc1)C(=O)c1ccc(-n2cccc2)cc1 17334373 YBSRNQMNDVBDBX-UHFFFAOYSA-N 290.366 3.750 0 40 CHAB Brc1ccccc1CNC1CCCCC1 19879200 SZWYEEAPFMFWMU-UHFFFAOYSA-N 268.198 3.871 0 40 CHAB Fc1ccc(CNc2ccc(Br)cn2)cc1 21819261 VTOGOMXMLIKYSE-UHFFFAOYSA-N 281.128 3.595 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2C)cc1 22517837 CSYAIZVCUFXNPX-CQSZACIVSA-N 253.345 3.794 0 40 CHAB COC(=O)c1c(-c2ccc3ccccc3c2)ccnc1C 22606991 INESKCJCMAZSSN-UHFFFAOYSA-N 277.323 3.997 0 40 CHAB C[C@@H]1CCN(C(=O)c2ccc(Cl)nc2)c2ccccc21 31785334 LGUVNSNEOSKUFW-LLVKDONJSA-N 286.762 3.889 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1ccccc1 32889954 KOYHIYIEARGYLR-GDBMZVCRSA-N 255.361 3.706 0 40 CHAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccncc1 40457413 AZFIGUSWYHGHEA-UHFFFAOYSA-N 295.169 3.661 0 40 CHAB CCOC(=O)c1ccc(Nc2cccc(Cl)c2)c(N)c1 41081410 IERCFHOEIXVAJC-UHFFFAOYSA-N 290.750 3.843 0 40 CHAB Brc1ccc2oc(-c3ccccn3)nc2c1 41569370 OADFPFKGQUPEBR-UHFFFAOYSA-N 275.105 3.652 0 40 CHAB CC(C)(C)c1cccc(OCC[C@H]2CCCNC2)c1 42772804 GSNFYKAJDSLOOH-CQSZACIVSA-N 261.409 3.753 0 40 CHAB O=C(NCc1ccc(F)cc1Cl)Nc1ccc(F)cc1 44845329 ZDLNQOTWUWAIJN-UHFFFAOYSA-N 296.704 3.940 0 40 CHAB O=C(CSc1ccccc1)NCCSC1CCCC1 46450691 FAOPQPSWAUDKKJ-UHFFFAOYSA-N 295.473 3.571 0 40 CHAB C[C@@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)CCC2 53387260 NGVLMIQBWOXBLS-CYBMUJFWSA-N 297.373 3.734 0 40 CHAB Cc1ccccc1C(=O)Cn1cc(-c2ccccc2)cn1 54961593 HUJIJQHJTZRGGT-UHFFFAOYSA-N 276.339 3.741 0 40 CHAB C[C@H](C1CC1)N(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F 69871567 UEHYBLBLTBWAPM-BXUZGUMPSA-N 299.336 3.980 0 40 CHAB CN(Cc1cccc(O)c1)c1nc2ccccc2s1 89361141 GVCILLTYMGCTJR-UHFFFAOYSA-N 270.357 3.638 0 40 CHAB Cc1coc(-c2cccc(NC(=O)c3occc3C)c2)n1 89701970 OTIRPQGGEUNATC-UHFFFAOYSA-N 282.299 3.804 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1oc(C)nc1C 89949349 IBFOXYFGINNYQX-GFCCVEGCSA-N 290.388 3.503 0 40 CHAB CC[C@@H](C)[C@H](C(=O)NCc1nccs1)c1ccccc1 96408381 ACYFJOLDPMOSDK-DOMZBBRYSA-N 288.416 3.589 0 40 CHAB C[C@H](N[C@@H]1CCCC[C@@H]1Oc1ccccc1)c1cnccn1 97032865 OENMATXWESJNRB-LESCRADOSA-N 297.402 3.517 0 40 CHAB CCCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1 98069141 GVTVAVKIOQWHEV-MRXNPFEDSA-N 296.414 3.926 0 40 CHAB CC(C)=C1OC(=O)C(C)(C)[C@@H]2CCc3ccccc3N12 100002687 LNKVVAWFDPHGQB-AWEZNQCLSA-N 271.360 3.642 0 40 CHAB CCCn1c(C)c(CNC(C)C)c2cc(O)ccc21 223768379 MFVLCCOMADVWGE-UHFFFAOYSA-N 260.381 3.563 0 40 CHAB Cc1cc(C)cc(C[C@@H](Oc2ccccc2C)C(=O)O)c1 225035939 SAYHUMKYFGHPGQ-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB Cc1cc(C)c(C(=O)N2CCc3ccccc3C2)cc1C 225639746 LAERWEBMTRNCBA-UHFFFAOYSA-N 279.383 3.810 0 40 CHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)cc1 225728876 QHNPHSLUXWLHCV-INIZCTEOSA-N 279.380 3.619 0 40 CHAB Oc1cc(C(F)F)nc2cc(Cl)nc(Cl)c12 242522231 INDNSIFCLOTLDO-UHFFFAOYSA-N 265.046 3.580 0 40 CHAB Cc1cc(C(=O)NCc2ccc(-c3ccoc3)o2)c(C)o1 575611888 ZRWOHKICJDLBMM-UHFFFAOYSA-N 285.299 3.679 0 40 CHAB Nc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 19406458 ZBBFGOOGUMHKLD-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB Cc1cccc(-n2c(C)c3c(C)nnc(C)c3c2C)c1 535857 MZXVOLWZOLEUHG-UHFFFAOYSA-N 265.360 3.963 0 40 CHAB COc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1 3098181 AVMTUJKVLOVJBD-UHFFFAOYSA-N 293.322 3.806 0 40 CHAB COc1cc(NCC[C@H]2CCCCN2C)c2ncccc2c1 1596770 GCFJQTXRAZEHFB-OAHLLOKOSA-N 299.418 3.530 0 40 CHAB Cc1c(CN(C)C)cccc1[C@@H](O)C1CCCCC1 1604268 SGJVHOSPVVRFED-KRWDZBQOSA-N 261.409 3.670 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Cl)c1 3431080 NDCNCKJSWMNUAE-GWCFXTLKSA-N 251.757 3.649 0 40 CHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C)c2)c1 3581417 TZESTLPXGKEQDO-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB O=C(Nc1ccccc1O)C12CC3CC(CC(C3)C1)C2 10860297 AXXRXRYOFCVCGM-UHFFFAOYSA-N 271.360 3.547 0 40 CHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 113959809 QBFLHSRULYOVEM-MRXNPFEDSA-N 297.398 3.696 0 40 CHAB C[C@H]1C[C@H](C(=O)NCC2CCCCC2)c2ccccc2N1 37260066 IBMRHXQNKOLFAK-BBRMVZONSA-N 286.419 3.671 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C 20044157 KGROHMIGIJUMEA-CQSZACIVSA-N 283.371 3.963 0 40 CHAB O=C(Nc1ccccc1F)c1nc(Cl)ccc1Cl 3359808 KECUZSWXNPGKSC-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB CC1(C)C(=O)[C@]2(C(=O)Nc3ccccc3Cl)CC[C@@H]1C2 100868091 ABSFGQHJOLDQGL-HWPZZCPQSA-N 291.778 3.674 0 40 CHAB CC(C)c1ccc(OCCNC(=O)[C@H]2CC=CCC2)cc1 48498832 JETYGGPNMXLZAB-INIZCTEOSA-N 287.403 3.661 0 40 CHAB Cc1[nH]c2ccc(Cl)cc2c1-c1csc(N)n1 13207137 PVKZDLDBHBQXLJ-UHFFFAOYSA-N 263.753 3.835 0 40 CHAB C[C@H](Sc1nncs1)c1ccc(OC(F)F)cc1 63416018 BLXPTBCMBAHCPR-ZETCQYMHSA-N 288.344 3.993 0 40 CHAB COc1ccc(CN(C)c2cccc(C(C)C)c2)nc1 95462704 UPELUGXTKRNURZ-UHFFFAOYSA-N 270.376 3.850 0 40 CHAB COc1cc(C=O)c(Cl)cc1OCc1ccc(F)cc1 95094963 WBIRZKYOEBBMML-UHFFFAOYSA-N 294.709 3.879 0 40 CHAB c1ccc(Oc2ccc(O[C@H]3CCCNC3)cc2)cc1 14631726 JLOHZNPPAVOVTQ-KRWDZBQOSA-N 269.344 3.610 0 40 CHAB Cc1cc(C)c(NC(=O)c2cnc3ccccc3n2)c(C)c1 7209789 NQJVKMAPOKDXTJ-UHFFFAOYSA-N 291.354 3.807 0 40 CHAB FC(F)(F)c1cccc([C@H](NC2CCOCC2)C2CC2)c1 90974955 IXHBLFJFQQGJGM-OAHLLOKOSA-N 299.336 3.925 0 40 CHAB COc1ccc(CN(C)Cc2ncc(C(C)(C)C)o2)cc1 71802063 ZUMQAUOZJRPUFP-UHFFFAOYSA-N 288.391 3.613 0 40 CHAB CCc1ccc2occ(CC(=O)Nc3ccncc3)c2c1 27587434 HXQQBUGBNXENRX-UHFFFAOYSA-N 280.327 3.571 0 40 CHAB C[C@@H](Sc1cccs1)c1nnnn1-c1ccccc1 71910005 TVBVPLVQEPDPHP-SNVBAGLBSA-N 288.401 3.577 0 40 CHAB Cc1ccc(C)c(C(=O)C[C@@H]2OC(=O)c3ccccc32)c1 8980321 OYMBJWFMMFGCLY-KRWDZBQOSA-N 280.323 3.788 0 40 CHAB Cc1nn(C(C)C)c(C)c1[C@@H](C)NC[C@@H]1CCCS1 95969256 NBHVALBJZYFCFB-RISCZKNCSA-N 281.469 3.627 0 40 CHAB CCCCOc1ccc(/C=C/c2cc(C(=O)O)ncn2)cc1 89954820 KZQVCDYRCMJHOA-QPJJXVBHSA-N 298.342 3.524 0 40 CHAB Nc1cc(N)cc(Oc2ccc3ccccc3c2)c1 4343589 ZGWQLHLHIXQPBA-UHFFFAOYSA-N 250.301 3.797 0 40 CHAB CCc1ccc(CNC(=S)c2cccc(OC)c2)cc1 408576627 QDQQBXLSQAHPJY-UHFFFAOYSA-N 285.412 3.723 0 40 CHAB COc1cccc([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)c1 32889867 XLUJCNVKVZMYRB-RHSMWYFYSA-N 285.387 3.715 0 40 CHAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(S)nc(C(F)(F)F)c12 36724562 FMPXSYUWRRBPDK-INWYIAFRSA-N 288.338 3.959 0 40 CHAB CCN(CC)Cc1c(C(C)(C)C)[nH]c2ncccc12 72393628 ILOKQRTVADOEIN-UHFFFAOYSA-N 259.397 3.702 0 40 CHAB c1ccc(COc2ccc(CC3CCNCC3)cc2)cc1 38518573 WWXFRYPJVWDHCM-UHFFFAOYSA-N 281.399 3.808 0 40 CHAB Cc1ccc(C)c(C(=O)NCCSC2CCCC2)c1 46450250 PXHYUXKMRYCSNY-UHFFFAOYSA-N 277.433 3.709 0 40 CHAB CCOC(=O)c1c(Cl)c2cc(Cl)ccc2n1C 43198556 HHAZFYLWBWNHHG-UHFFFAOYSA-N 272.131 3.662 0 40 CHAB Cc1ccc(-c2noc(-c3cccc(N)c3)n2)cc1C 89262383 WBQLIDUUYFRPOO-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB Cc1cccc(O[C@H](Cc2cc(C)ccc2C)C(=O)O)c1 225027686 FOPLOZCRZGSCLS-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB c1cc2sccc2c(N2CCc3sccc3C2)n1 613400591 NSYWQAOAMUGURE-UHFFFAOYSA-N 272.398 3.921 0 40 CHAB CCCCn1c(Cc2ccc(C)cc2)ccc1C(=O)O 226029647 YWHOVELCUPYGMI-UHFFFAOYSA-N 271.360 3.886 0 40 CHAB Cc1ccc(N(C)C(=O)c2ccc(F)cc2F)cc1C 222966453 XMIMDZUNGADUQG-UHFFFAOYSA-N 275.298 3.858 0 40 CHAB O=C(NCCSCc1ccco1)c1ccccc1Cl 138683422 NOOBMCVAJXCBGH-UHFFFAOYSA-N 295.791 3.596 0 40 CHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)cc1 225610274 RGTMQWJGQJLYBZ-KRWDZBQOSA-N 293.407 3.865 0 40 CHAB CCCN(c1cc(Cl)cc(Cl)c1)[C@@H](C)C(=O)O 224995862 VLMARNZTHAQNFT-QMMMGPOBSA-N 276.163 3.683 0 40 CHAB Cc1noc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)n1 69621811 XGCMYJWTNBKAPL-NHYWBVRUSA-N 271.364 3.570 0 40 CHAB CC(C)OCCCC(F)(F)C(F)(F)Br 1083808013 UBANHYZJUMZXTA-UHFFFAOYSA-N 281.087 3.815 0 40 CHAB Cc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1C 40462004 RQSIONLOYGQNRY-GFCCVEGCSA-N 285.309 3.718 0 40 CHAB CCc1cccc(CC)c1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102815774 PUOIBOIGLCLJCT-RCBQFDQVSA-N 269.388 3.962 0 40 CHAB CC(C)=CC(=O)N1CCS[C@H](c2cccs2)CC1 219508501 BUQNMKMBNKMCGB-ZDUSSCGKSA-N 281.446 3.721 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1F 17963771 UFCYQJIMMZXVJX-LBPRGKRZSA-N 287.334 3.634 0 40 CHAB C[C@H]1CCCC[C@H]1N1CCN(C[C@H]2CC=CCC2)CC1 19900115 ADQAWJJCVOTDOE-OKZBNKHCSA-N 276.468 3.539 0 40 CHAB CC(C)(C)C(=O)c1c(F)cc(Br)cc1F 168162696 BWWSYNYSSUKBJL-UHFFFAOYSA-N 277.108 3.956 0 40 CHAB O=C(OCCOc1ccccc1)c1ccccc1Cl 1586642 LVGWHRGHHIEJEW-UHFFFAOYSA-N 276.719 3.576 0 40 CHAB Cc1cccc(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1 1888853650 CVMRGBOVYINXMC-IRXDYDNUSA-N 281.403 3.560 0 40 CHAB O=C(Nc1nc(C2CC2)cs1)c1ccc(O)c(Cl)c1 25558713 XTYUMOYMUDXMRH-UHFFFAOYSA-N 294.763 3.632 0 40 CHAB O=c1c2oc3ccccc3c2[nH]c(=S)n1-c1ccccc1 100530351 QBIYLKSPXQONML-UHFFFAOYSA-N 294.335 3.794 0 40 CHAB CCCC(CCC)C(=O)c1ccc(C(=O)OC)cc1 575362483 PTDHPQJSWUUGTA-UHFFFAOYSA-N 262.349 3.872 0 40 CHAB O=C1Nc2ccc(Cl)cc2/C1=C/c1cccc(O)c1 33410786 RJMHDSANFQKPSY-QPEQYQDCSA-N 271.703 3.538 0 40 CHAB O=C(c1ccc(F)cc1F)N1CCCc2ccc(F)cc21 40117159 TXEQVCQGRHLYQD-UHFFFAOYSA-N 291.272 3.697 0 40 CHAB Cc1ccc(-c2noc(-c3c(N)sc(C)c3C)n2)cc1 100102370 LXYWASJJUHNTEW-UHFFFAOYSA-N 285.372 3.973 0 40 CHAB CCONC(=O)c1ccc(-c2ccc(Cl)cc2)s1 22610727 LEVLSEMHFCEPFG-UHFFFAOYSA-N 281.764 3.750 0 40 CHAB Cc1cccc(-n2c(C)nc3sc4c(c3c2=O)CCC4)c1 61453 HTNADMFGKZTYHR-UHFFFAOYSA-N 296.395 3.553 0 40 CHAB O=C(c1ccc(F)cc1)N(c1ccccn1)c1ccccn1 3169428 IWDZWXGRMKPATE-UHFFFAOYSA-N 293.301 3.594 0 40 CHAB CCN(CC)CCCCNc1ccc(Cl)cc1 1673361 NNNIUBZYBAJRMM-UHFFFAOYSA-N 254.805 3.874 0 40 CHAB CC(=O)c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 106025147 XCERKAMPHKREAN-AEGPPILISA-N 271.360 3.654 0 40 CHAB O=C1[C@@H]2CCC[C@@H]2C1(c1ccccc1)c1ccccc1 1684254 LZRARGDGJOHTHL-SJORKVTESA-N 262.352 3.972 0 40 CHAB CCCCN(CCCC)[C@H]1CCC[C@@H](OC(=O)NC)C1 1714561 NTJFHLLKGBXEJW-LSDHHAIUSA-N 284.444 3.556 0 40 CHAB Cc1cccc(CN(Cc2cccc(C)n2)C[C@H]2C[C@@H]2C)n1 97105620 GKWHMOGCBNAMHQ-WMLDXEAASA-N 295.430 3.752 0 40 CHAB CNCc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 34656742 NETAFJOWOVXCKB-UHFFFAOYSA-N 269.388 3.910 0 40 CHAB in-vitro CCc1ccc(-c2ccc(C(=O)C(F)(F)F)[nH]2)cc1 4893001 WDERUWJPPGBPSP-UHFFFAOYSA-N 267.250 3.989 0 40 CHAB CCCN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 6654756 WMLPYKZSPCSNOC-MDWZMJQESA-N 286.356 3.614 0 40 CHAB CCCc1nnc(SCc2ccccc2)n1CC 7605061 BEXXLMGXSCSMCH-UHFFFAOYSA-N 261.394 3.543 0 40 CHAB Cc1cc(C)c2oc(C(=O)Nc3ccccc3)cc(=O)c2c1 27740505 FZFRTQKJWBCCKR-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB O=C(CCc1ccccc1Cl)NCc1cccs1 10458071 ANLZYBGPSCHTKP-UHFFFAOYSA-N 279.792 3.651 0 40 CHAB Cc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 45257818 GXRHFPJPAKMAGT-UHFFFAOYSA-N 271.385 3.861 0 40 CHAB CCCSc1nc(N)c2c3c(sc2n1)CC[C@H](C)C3 2351075 CXLCXEGXZVGHSW-QMMMGPOBSA-N 293.461 3.900 0 40 CHAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccccc1 12536749 DHSVDZCKVFBUEM-GOSISDBHSA-N 288.350 3.601 0 40 CHAB C[C@H]1Cc2ccccc2N1Cc1c[nH]nc1C(C)(C)C 95456979 BHPQVGMVYQCASK-LBPRGKRZSA-N 269.392 3.658 0 40 CHAB Cc1nc(-c2cccc(NCc3ccccc3C)c2)n[nH]1 37781566 CJJKPCUKDSQMSK-UHFFFAOYSA-N 278.359 3.701 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)CCC2 12903720 XEWMHDALGHALQE-UHFFFAOYSA-N 269.319 3.875 0 40 CHAB CCCN(CCC)Cc1cc(F)cc2cccnc12 97221090 MTJSCNDVHZRCAN-UHFFFAOYSA-N 260.356 3.996 0 40 CHAB Fc1cccc(CCNc2ncnc3ccc(F)cc23)c1 97497488 RLYZLUNBWYPSIA-UHFFFAOYSA-N 285.297 3.563 0 40 CHAB Cc1ccc(-c2nc(Nc3ncccn3)sc2C)cc1 67321990 IJTHEIASFKKZMY-UHFFFAOYSA-N 282.372 3.961 0 40 CHAB FCCCCOc1ccc(Br)cc1F 308458894 OQBCSFNYSJZDQZ-UHFFFAOYSA-N 265.097 3.717 0 40 CHAB CC(=O)c1cc(CCC(=O)Nc2ccccc2C)oc1C 8112612 QMTAWRACJUOLJX-UHFFFAOYSA-N 285.343 3.670 0 40 CHAB Clc1ccccc1-c1nnc(SC[C@H]2CCCO2)o1 69568650 RRXXMHACIQJQDI-SECBINFHSA-N 296.779 3.661 0 40 CHAB Clc1cnccc1CN1CC[C@H](c2ccccc2)C1 75675332 FIHGQVFGNCFHEP-AWEZNQCLSA-N 272.779 3.725 0 40 CHAB CCCCCCSc1cc(C(N)=O)cc(SCC)n1 3850995 HMSFZWZTNAULGM-UHFFFAOYSA-N 298.477 3.965 0 40 CHAB biogenic Cc1cc2c(cc(C(=O)O)n2Cc2ccccc2)s1 37525018 GMKWBGDDHUGQLV-UHFFFAOYSA-N 271.341 3.758 0 40 CHAB Cc1cccc([C@H]2CCCCN2C(=O)c2ccccc2)n1 72211114 JTVPBYWMICBLEN-QGZVFWFLSA-N 280.371 3.757 0 40 CHAB O=C(Cc1ccsc1)Nc1ccc(Cl)cc1F 6388304 QRCUWNBBTVUMAM-UHFFFAOYSA-N 269.728 3.722 0 40 CHAB Cc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72211316 NXDVDUGTCDCVPP-AWEZNQCLSA-N 276.380 3.852 0 40 CHAB Cc1ccc(NC(=O)N(C)[C@H](CCO)c2ccccc2)cc1 75533687 MVWKWVQCJPHZMJ-QGZVFWFLSA-N 298.386 3.582 0 40 CHAB Cc1ccc(-c2cc(-c3cccc(F)c3)nc(N)n2)cc1 71977856 YOUPRFPHRXMESU-UHFFFAOYSA-N 279.318 3.840 0 40 CHAB CCCCOC(=O)c1cc(N)c(N(CC)CC)c(Cl)c1 70462222 LEQAWUXAXUCDET-UHFFFAOYSA-N 298.814 3.725 0 40 CHAB CC[C@@H](N)c1cnc(N2CCCc3ccccc32)cc1C 72223925 YPDIQXZDPBDQAQ-MRXNPFEDSA-N 281.403 3.884 0 40 CHAB Cc1ccccc1CCC(=O)c1ccc2c(c1)OCO2 228922202 HOQAQPVFPWGPIO-UHFFFAOYSA-N 268.312 3.539 0 40 CHAB O=C(CCc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 225302879 JAHQWKVZZZYOAN-GUTXKFCHSA-N 277.795 3.577 0 40 CHAB C[C@H]1CC(C)(C)N([C@@H](C)C(=O)O)c2ccc(Cl)cc21 223191459 HQKPWHIZXTUCIB-UWVGGRQHSA-N 281.783 3.905 0 40 CHAB CC[C@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccccc1 222653079 VYQTXJSYEMGISV-KRWDZBQOSA-N 297.398 3.814 0 40 CHAB Cc1c(Cl)cccc1C(=O)c1ccccc1C(=O)O 95634087 WXJRBEUJXQHGON-UHFFFAOYSA-N 274.703 3.578 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCC1CC1 95097526 QWWOLKJMQXLBMY-CQSZACIVSA-N 283.412 3.593 0 40 CHAB CC(C)(C)OC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 141189838 YKFDCQABNYVPBT-NWDGAFQWSA-N 297.192 3.894 0 40 CHAB COc1cccc(C(=O)OCc2cccc(Cl)c2)c1 230478932 RVLUXYLLDILLRC-UHFFFAOYSA-N 276.719 3.706 0 40 CHAB CSCCCN(C)C(=O)Nc1cccc(SC)c1C 282109505 ZXMQEGFSHPGPSR-UHFFFAOYSA-N 298.477 3.934 0 40 CHAB COc1cc(C(=O)C=C(C)C)ccc1Br 389371332 LMMCWQHPBHFBJM-UHFFFAOYSA-N 269.138 3.607 0 40 CHAB CO[C@@H](CNC(=O)Nc1cccs1)c1ccccc1C 96105175 VLYQCVHDBJQKSC-ZDUSSCGKSA-N 290.388 3.566 0 40 CHAB Cc1ccc(-c2n[nH]c([C@@H](C)c3ccccc3)n2)cc1 642882593 QGKLKAFUNRMIRA-ZDUSSCGKSA-N 263.344 3.932 0 40 CHAB CCCCOCCSc1nc(-c2ccc(C)cc2)n[nH]1 71817112 CJPOTSSANJPHTD-UHFFFAOYSA-N 291.420 3.689 0 40 CHAB COc1cccc(CN(C)C(=O)C=C2CCC(C)CC2)c1 72285116 XQFUBTOUNAHKES-UHFFFAOYSA-N 287.403 3.790 0 40 CHAB CC(C)(C)c1cc(C(=O)O)c(C(C)(C)C)cc1C(=O)O 38285784 KLGUFGRWCBLGFA-UHFFFAOYSA-N 278.348 3.678 0 40 CHAB CCOc1ccc(NC(=O)NC(C)(C)CC)c(C)c1 76093903 MBSHTJGWMVHSDX-UHFFFAOYSA-N 264.369 3.704 0 40 CHAB CC(C)c1noc(CN2CCC[C@H]2c2cccs2)n1 42356309 PSMVXANUAOIITF-NSHDSACASA-N 277.393 3.592 0 40 CHAB C[C@@H](c1ccccn1)N(C)Cc1ccc(Cl)cc1 95408714 ZAXBPNLIYFJJBU-LBPRGKRZSA-N 260.768 3.928 0 40 CHAB CNCc1ccccc1OCc1ccccc1Cl 5910048 DDTXJFUFDZFHPW-UHFFFAOYSA-N 261.752 3.638 0 40 CHAB CSc1nc2c(c(=O)[nH]1)[C@H]1C=C(C)CC[C@@H]1C(C)(C)C2 17060353 HFVQGXYSGIZIDB-QWRGUYRKSA-N 290.432 3.514 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1 17916200 STSQLDQLHLJZBZ-LLVKDONJSA-N 291.753 3.899 0 40 CHAB C1=C(CN[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)COCC1 19373718 PTSYNSVXXOTRDY-WJFTUGDTSA-N 283.415 3.505 0 40 CHAB CCOc1ccc([C@H](O)c2ccccc2Cl)cc1 40244578 OKWLYLGPWKFWIM-HNNXBMFYSA-N 262.736 3.820 0 40 CHAB Cc1ccc(-c2csc(NCc3ccco3)n2)o1 4770350 WSXPBLOVNSYWGV-UHFFFAOYSA-N 260.318 3.917 0 40 CHAB COc1ccc(F)cc1C(=O)CCC1CCCC1 37362321 LBYYKSNNFOYRAN-UHFFFAOYSA-N 250.313 3.987 0 40 CHAB CC(C)NC(=O)CSCc1ccc(Cl)c(Cl)c1 20486920 RWZAHEQWEDLSIV-UHFFFAOYSA-N 292.231 3.751 0 40 CHAB CC1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1 20569716 ZOEFIUPAVLBUHH-UHFFFAOYSA-N 272.392 3.876 0 40 CHAB CCCCCc1ccc(-c2ccnc(NC#N)n2)cc1 32074559 HMHVFODXEOCOSY-UHFFFAOYSA-N 266.348 3.769 0 40 CHAB CCn1ccc(-c2cccc(-c3nccs3)c2)n1 20778154 NOIAAEVOIUOEGY-UHFFFAOYSA-N 255.346 3.694 0 40 CHAB CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 263490 ZNWCPLRNPAJLKX-UHFFFAOYSA-N 276.339 3.652 0 40 CHAB CC1=CC[C@@H](c2nnco2)[C@H](c2ccc(F)cc2)C1 209416 WSBISMJIGTYEBD-KGLIPLIRSA-N 258.296 3.816 0 40 CHAB C[C@H](Sc1ccccc1)C(=O)N[C@H]1CCc2ccccc21 32843558 ASPYFXXJLMCGBS-GUYCJALGSA-N 297.423 3.971 0 40 CHAB Fc1ccc(CCNc2ncnc3ccc(F)cc23)cc1 41470912 KTQYRJRIJFTCBQ-UHFFFAOYSA-N 285.297 3.563 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 514226 ANVUKJDKJYJFNE-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB Fc1ccc(CSc2nc3ccccc3[nH]2)cc1 68021 OMXRCMRPDVPIDR-UHFFFAOYSA-N 258.321 3.994 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(O)c2)c(C)c1 364871 OQSGVSKXOHSNIA-AWEZNQCLSA-N 299.370 3.723 0 40 CHAB CC1(C)[C@H]2C(Cl)(Cl)[C@]2(C)c2ccccc2N1C=O 507537 ZIIPOTCZHKXENU-DGCLKSJQSA-N 284.186 3.503 0 40 CHAB CCc1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 1469761 WFFCINYGPKVRNQ-ZDUSSCGKSA-N 299.370 3.664 0 40 CHAB CCCCOCCOC(=O)CCC1CCCCC1 1586581 AIEIMLKOYRHCED-UHFFFAOYSA-N 256.386 3.707 0 40 CHAB O=C(Cc1ccccc1)OCc1ccc(Cl)cc1 1621146 VWFZIPLLGQNPBV-UHFFFAOYSA-N 260.720 3.626 0 40 CHAB CC[C@H](C)[C@H](C(=O)OCCN(CC)CC)c1ccccc1 1649106 LKQUJKDIEHGPLY-RDJZCZTQSA-N 291.435 3.701 0 40 CHAB CCCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 1794285 RNOCMAYJXZFWHP-UHFFFAOYSA-N 289.400 3.830 0 40 CHAB Cc1cc(C)c2sc(NC(=O)c3ccco3)nc2c1 2723986 ZAMLYKSWKRIGAY-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB Cc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)o1 3442370 XFDVFLJRYOOBED-GHXNOFRVSA-N 259.692 3.734 0 40 CHAB Cc1cccc(-c2nn(-c3ccccc3)cc2C=O)c1 3887993 KNPCIOKCAGHMJQ-UHFFFAOYSA-N 262.312 3.660 0 40 CHAB CCOc1ccc(NCc2nnc(-c3ccccc3)o2)cc1 4513658 BGRDLBYRPJYEOW-UHFFFAOYSA-N 295.342 3.747 0 40 CHAB COc1cccc2[nH]c(C(=O)Nc3ccc(F)cc3)cc12 5324954 KHEPWWKQWCYCMA-UHFFFAOYSA-N 284.290 3.568 0 40 CHAB COc1ccc(CCC(=O)Nc2c(C)cccc2C)cc1 5511961 TUXWXBGDJVXBGX-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB Cc1nc2c(sc3nc(-c4cccs4)ccc32)c(=O)[nH]1 5634512 IOIKSLPISBHKSC-UHFFFAOYSA-N 299.380 3.570 0 40 CHAB COc1ccc(C(=O)CCC(=O)Nc2ccccc2C)cc1 6947246 GPONLXDTPCQUAY-UHFFFAOYSA-N 297.354 3.605 0 40 CHAB CCCCNC(=S)Nc1ccc(Br)cc1 7522727 UROCQSMHMOCQPD-UHFFFAOYSA-N 287.226 3.536 0 40 CHAB CC[C@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 7557219 RMCHCIBMGCFHCH-ZETCQYMHSA-N 260.765 3.564 0 40 CHAB COc1ccc(C(=S)N2CCCCC2)cc1Cl 8209178 ZJCDVHMZLRVCLC-UHFFFAOYSA-N 269.797 3.510 0 40 CHAB COc1ccccc1NC(=O)c1cc(Cl)ccc1F 8328653 GNSAKQSBCPTGOD-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB CC(C)[C@@H](NC1CCCC1)c1ccc2c(c1)OCCO2 8401974 AYHGYGJGAVPTSF-QGZVFWFLSA-N 275.392 3.687 0 40 CHAB CCCOc1ccccc1C(=O)N[C@H](C)c1ccccc1 8560965 RMHWFEUWSYCNHK-CQSZACIVSA-N 283.371 3.966 0 40 CHAB CC(=O)c1cccc(Nc2ncnc3sccc23)c1 9593747 HUJHVKUXAKJNDS-UHFFFAOYSA-N 269.329 3.638 0 40 CHAB O=C(O)/C=C/c1cccc(OCc2ccc(F)cc2)c1 11824953 QPKMODNYLIWSJP-RMKNXTFCSA-N 272.275 3.503 0 40 CHAB Sc1nnc2cc(-c3ccccc3)c3ccccc3n12 12505982 PRBBCWVYYQKLHU-UHFFFAOYSA-N 277.352 3.838 0 40 CHAB CCN(Cc1ccccc1)C(=O)Nc1cccc(OC)c1 13048411 QKILXRRCLPTAGI-UHFFFAOYSA-N 284.359 3.749 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)N1CCCCCC1 20494105 KYRKYURHJPHGNR-UHFFFAOYSA-N 258.365 3.583 0 40 CHAB CC[C@H](C)c1ccccc1OCCC1CCNCC1 20593609 XKXRNICQAWFHIY-AWEZNQCLSA-N 261.409 3.969 0 40 CHAB Cc1noc(C)c1CC(=O)Nc1cc(Cl)ccc1Cl 22390901 IEEPHYUATKMAQF-UHFFFAOYSA-N 299.157 3.779 0 40 CHAB CC(=O)Nc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1 25313233 HAKRYOXOWKFMBE-PXAZEXFGSA-N 298.386 3.651 0 40 CHAB Cc1ccccc1NCc1n[nH]c(=S)n1-c1ccccc1 26439435 XYBZKWHEBNNZBO-UHFFFAOYSA-N 296.399 3.850 0 40 CHAB Cc1cccnc1NC(=O)CCc1ccccc1Cl 29701313 CRWFUTPGHBFUSA-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB CCN(CC)C(=O)[C@@H](C)Oc1cc(Cl)ccc1Cl 32647987 VVJXKTRVYUSPLB-SECBINFHSA-N 290.190 3.629 0 40 CHAB Cc1c(Cl)cccc1NC(=O)CC[C@H]1CCCO1 32815715 SNYQWXOZHHNIPE-LLVKDONJSA-N 267.756 3.546 0 40 CHAB Cc1cc(C)c(-c2nc(C)sc2CC(=O)O)c(C)c1 36175343 ATMRSQFZAPPTLR-UHFFFAOYSA-N 275.373 3.671 0 40 CHAB Brc1cccc2c3c([nH]c12)CCCC3 39078946 HUMKFGVHEYKRPT-UHFFFAOYSA-N 250.139 3.809 0 40 CHAB CC(C)NC[C@]1(C)C[C@H](NC(C)C)CC(C)(C)C1 39245128 IFJYEFKWFQAKDZ-GDBMZVCRSA-N 254.462 3.567 0 40 CHAB Cc1c(C(=O)Nc2ccncc2)oc2c(F)cccc12 40472997 PUEZKYJBVGZTSL-UHFFFAOYSA-N 270.263 3.528 0 40 CHAB COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1N 41080226 DIUBGOGVZQHIAD-UHFFFAOYSA-N 277.707 3.501 0 40 CHAB in-vitro C[C@@H]1CCCCN1Cc1ccccc1Br 42205988 BOXLAPJBPBVZFU-LLVKDONJSA-N 268.198 3.824 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C)cc1 44845054 DDLXFQZBVMLXSD-OAHLLOKOSA-N 283.371 3.560 0 40 CHAB Cc1noc(C)c1CN(Cc1cccs1)C1CC1 44898091 FEWRIKPSNPLKKR-UHFFFAOYSA-N 262.378 3.518 0 40 CHAB CCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2C)c1 45889265 MHDHZLRSXIZXHT-UHFFFAOYSA-N 298.386 3.927 0 40 CHAB O=C(C1CC1)N1CCC[C@H]1c1cccc2ccccc12 48948891 SNTYNEHZSVCDHJ-KRWDZBQOSA-N 265.356 3.913 0 40 CHAB CC[C@@H](Nc1ccc(OC)c(CO)c1)c1ccccc1 71902562 ZCLGQGDDYLTQKG-MRXNPFEDSA-N 271.360 3.751 0 40 CHAB COC[C@H](OCC(C)C)c1ccc(Br)cc1 72220317 LCHSJGZVZJQEJJ-ZDUSSCGKSA-N 287.197 3.809 0 40 CHAB COc1cc(C)c(C(=O)NC(C)(C)C)cc1C(C)C 75908579 RSEWJXZNBZKKLM-UHFFFAOYSA-N 263.381 3.655 0 40 CHAB CN(C(=O)C1CC1)C(c1ccccc1)c1ccccc1 83843909 GVBGVTPBMMLVSC-UHFFFAOYSA-N 265.356 3.644 0 40 CHAB Cc1cccc(CO)c1OCc1c(F)cccc1Cl 95095189 MIAQWIBZMMKDDQ-UHFFFAOYSA-N 280.726 3.859 0 40 CHAB CC[C@H](NCc1cccc(C(=O)NC)c1)c1ccc(C)cc1 95420948 MBHZJBASIYFSNG-SFHVURJKSA-N 296.414 3.596 0 40 CHAB COc1cc(Br)ccc1OC(C)(C)C 95915444 LRRRRXITYVFHFE-UHFFFAOYSA-N 259.143 3.635 0 40 CHAB CO[C@H](C)c1nc(Cl)cc(-c2cccc(F)c2)n1 96529151 CFXCWOWJFZBMGM-MRVPVSSYSA-N 266.703 3.644 0 40 CHAB CCc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 102589658 WWLPNFYHGAJCAR-UHXUPSOCSA-N 277.433 3.865 0 40 CHAB S=C(NC1CCCCCCC1)N[C@@H]1C[C@H]2CC[C@H]1C2 104272667 SKPOQCYVAWJNDY-KCQAQPDRSA-N 280.481 3.752 0 40 CHAB CC1=C[C@H](C)[C@@H]2CO[C@H](c3ccc(O)cc3)[C@@H]1[C@H]2C 135918227 UVEZFZYRAYSXIF-UWIRNFLKSA-N 258.361 3.928 0 40 CHAB COC(=O)[C@@H](C(C)C)N1c2ccccc2[C@@H](C)CC1(C)C 223211865 FAXJDZLMXHRLCK-XJKSGUPXSA-N 289.419 3.976 0 40 CHAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1C 225651601 OSRMLUNWGDXZNT-KRWDZBQOSA-N 293.407 3.928 0 40 CHAB C[C@H]1Cc2ccccc2N1C(=O)C1(c2ccccc2)CC1 225988584 WGXVAHNWZSQTFL-AWEZNQCLSA-N 277.367 3.696 0 40 CHAB Cc1cc(NCc2ccc(F)s2)nn1C(C)C 256053232 QPNBAXBHYZVIOH-UHFFFAOYSA-N 253.346 3.585 0 40 CHAB Cc1cc(N)cc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 514269679 GTJGNTMFWVGQTA-CYBMUJFWSA-N 290.407 3.692 0 40 CHAB CCCCC[C](O)CC(=O)CCc1ccc(O)c(OC)c1 1560407624 VLZDMSGIFQNAJH-UHFFFAOYSA-N 293.383 3.777 0 40 CHAB Cc1nc2c(o1)CCc1ccc(Br)cc1-2 1857524081 QTFUDXNGWDDBNH-UHFFFAOYSA-N 264.122 3.511 0 40 CHAB Cc1ncnc(C(=O)Nc2ccc(Cl)cc2Cl)c1C 1888860195 UJLXKLBNWPDWRY-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1 237730 FCDMHQNVFPFHOK-UHFFFAOYSA-N 266.296 3.680 0 40 CHAB O=C(Nc1nccs1)c1cc(Cl)nc2ccccc12 551976 RCXIWSITBRTTDY-UHFFFAOYSA-N 289.747 3.597 0 40 CHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCCCCC1 579737 GFWUGTLTVKTZJA-GFCCVEGCSA-N 295.810 3.946 0 40 CHAB O=C(CCN1CCCCC1)c1ccc2ccccc2c1 1724559 SWVZNNNOKMRCOT-UHFFFAOYSA-N 267.372 3.899 0 40 CHAB COC(=O)CCN(c1ccccc1)c1ccc(C)cc1 1727941 PDHWKFTURZMOME-UHFFFAOYSA-N 269.344 3.696 0 40 CHAB O=C(/C=C/c1cccc(Cl)c1)Nc1ccccc1 1952183 FCWLPQWRAKGOGU-MDZDMXLPSA-N 257.720 3.992 0 40 CHAB c1ccc(-c2ccccc2OCCCC2=NCCN2)cc1 2187301 PJZVKROJSJCOQU-UHFFFAOYSA-N 280.371 3.514 0 40 CHAB O=C(c1ccc(Br)c(F)c1)C1CCC1 2514325 FMUQYYNPJLYSLF-UHFFFAOYSA-N 257.102 3.571 0 40 CHAB c1ccc(CCNc2nc3ccccc3s2)cc1 3289337 ZONFDQCCZSBEFC-UHFFFAOYSA-N 254.358 3.951 0 40 CHAB OCCCC[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21 4027139 SOMZBPWPSAMGPQ-VQHPVUNQSA-N 264.409 3.833 0 40 CHAB biogenic Cc1ccc(C)c(OCc2nc(-c3cccs3)no2)c1 4384770 MKJQYFFAKKWEOU-UHFFFAOYSA-N 286.356 3.994 0 40 CHAB O=C1CCCC(c2ccccc2)=NN=C1c1ccccc1 5758966 XJRSREDVZTWBEL-UHFFFAOYSA-N 276.339 3.633 0 40 CHAB O=C(CSCc1cccs1)Nc1ccc(F)cc1 7400495 WXPWNYDBTMPOBN-UHFFFAOYSA-N 281.377 3.759 0 40 CHAB Cc1nc(-c2ccccc2)c(C(=O)NCc2ccco2)s1 7752642 DABDBICJHQWQOH-UHFFFAOYSA-N 298.367 3.642 0 40 CHAB Cc1ccsc1C(=O)Nc1nc2ccccc2s1 7767924 MXNSKRJJRCPKLM-UHFFFAOYSA-N 274.370 3.919 0 40 CHAB C[C@H](NC(=O)c1cccc(Br)c1)c1ccco1 8359822 JKMQAPMFLYQEFN-VIFPVBQESA-N 294.148 3.533 0 40 CHAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8495092 VNOCDDUIRIMDKE-AWEZNQCLSA-N 299.370 3.718 0 40 CHAB CCN(CC)CCC[C@@H](C)Nc1ncnc2ccccc12 8603353 RJBCXEKWORHRHM-CQSZACIVSA-N 286.423 3.552 0 40 CHAB Cc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1 9910717 DXYWDGSQOMJIGT-UHFFFAOYSA-N 272.329 3.758 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H]1C 12921371 IEEWYRIOJGULGV-ZENOOKHLSA-N 284.403 3.651 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 13613851 WYLNVEYHKHBZEV-CABCVRRESA-N 295.382 3.740 0 40 CHAB CCOC(=O)c1ccc(NC(=O)c2ccccc2C)c(C)c1 13675719 QTGWZFAOVFBLEF-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB CCc1ccc(NC(=O)N[C@@H](C)c2cccnc2)cc1 13744334 MYHZDNJMSXAAJI-LBPRGKRZSA-N 269.348 3.527 0 40 CHAB COc1ccc(NC(=S)Nc2ccccc2OC)cc1 13790107 MVEBVLZXIGFKDH-UHFFFAOYSA-N 288.372 3.513 0 40 CHAB O=C(CSc1ncnc2sccc12)c1cccs1 14158650 XRSYFBZLSHJFIN-UHFFFAOYSA-N 292.410 3.728 0 40 CHAB CCc1cc(C(=O)Nc2ccccc2O)sc1C 14183959 URBLGHBCRABVND-UHFFFAOYSA-N 261.346 3.577 0 40 CHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 14199343 FGDYPJXPFDVLJO-DGCLKSJQSA-N 287.359 3.713 0 40 CHAB CN(C(=O)COc1cccc2ccccc12)c1ccccc1 14738392 UXDXOGSAPVVBJL-UHFFFAOYSA-N 291.350 3.882 0 40 CHAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CCCC[C@@H]12 18128457 DDIOMJGDTLZALT-FUNVUKJBSA-N 294.192 3.824 0 40 CHAB COc1cccc(-c2nc(Cl)c3ccccc3n2)c1 19803853 LIRAIXXQBUQFTJ-UHFFFAOYSA-N 270.719 3.959 0 40 CHAB Cc1ccc(OCCCC(=O)N(C)C2CCCCC2)cc1 20492619 HZRQCQPFNQUPBX-UHFFFAOYSA-N 289.419 3.945 0 40 CHAB COc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1O 22620651 CNOYWQAFBZIVJX-UHFFFAOYSA-N 269.300 3.826 0 40 CHAB CC(=O)Nc1ccc(CN[C@H](C)c2ccccc2F)cc1 26311899 JECDAKVQSAFSPN-GFCCVEGCSA-N 286.350 3.635 0 40 CHAB Cc1ccc(N(C)C(=O)Oc2ccc(F)cc2)cc1 26571264 RMXQAPLOGKJGCO-UHFFFAOYSA-N 259.280 3.769 0 40 CHAB O=C(Nn1cnc2ccccc21)c1cc2ccccc2s1 27040536 ZHQXBNMJCPOTEH-UHFFFAOYSA-N 293.351 3.635 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccncc1 29109836 DTHPJTQLRYNIAA-HWKANZROSA-N 272.735 3.695 0 40 CHAB CCC[C@@H](C)NC(=O)c1cccc2c(C)c(C)[nH]c12 32777823 VXMSOOXLRLTKMP-SNVBAGLBSA-N 258.365 3.703 0 40 CHAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCCCCC1 40050048 GCGBXHROUOSWRE-KBPBESRZSA-N 272.392 3.662 0 40 CHAB C[C@]1(C(=O)NCCC2CCCCC2)CC1(Cl)Cl 40074538 JEMKQULHUNZPJL-GFCCVEGCSA-N 278.223 3.657 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC3)o1 40103354 DGFRDDXIEANSMT-GFCCVEGCSA-N 284.359 3.959 0 40 CHAB CSc1ccc(CSc2nncs2)cc1 40456996 CATMAHJFTPKAMM-UHFFFAOYSA-N 254.405 3.552 0 40 CHAB CC(=O)c1c(Nc2ccc(Cl)cc2)cc(C)oc1=O 41124512 KJZUEEGENHDOBJ-UHFFFAOYSA-N 277.707 3.548 0 40 CHAB Cc1c(C)c(C)c(C(=O)C[C@H](C)CC(=O)O)c(C)c1C 43214271 UQVOINUANQWQRP-VIFPVBQESA-N 276.376 3.912 0 40 CHAB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(Cl)cc1 43879389 PZKWNHCRQTZIHT-WCQYABFASA-N 280.751 3.804 0 40 CHAB Cc1ccccc1[C@@H]1CCCN1CCc1ccncc1 48234281 KUFATXDEUFOYPC-SFHVURJKSA-N 266.388 3.770 0 40 CHAB Cc1cc(CNc2ccc(F)c(C(F)(F)F)c2)no1 60160145 MOZOQRLRQWQORX-UHFFFAOYSA-N 274.217 3.753 0 40 CHAB Cc1noc(C)c1NC(=O)N[C@H](c1cccs1)C(C)C 60343585 ZOWGTIOVMPXKDM-LBPRGKRZSA-N 293.392 3.872 0 40 CHAB CCn1ccnc1S[C@@H](C)C(=O)c1cc(F)ccc1F 69538923 OBMFNACGZLJJFY-VIFPVBQESA-N 296.342 3.545 0 40 CHAB CC(C)=C[C@@](F)(Cl)C(F)(F)Br 72265616 FUDNWUASIXXSGZ-YFKPBYRVSA-N 251.473 3.845 0 40 CHAB CSc1ccc(OCCN2CCCC[C@H]2C)cc1 72304848 BXKBOZVPCJEGNY-CYBMUJFWSA-N 265.422 3.662 0 40 CHAB C[C@H](SCC(=O)Nc1ccncc1)c1cccs1 85252013 HUNAUXPFMIWYDQ-JTQLQIEISA-N 278.402 3.576 0 40 CHAB Cc1ccc(C(=O)c2cc(F)c(F)cc2F)cc1 95917187 DTXIKZMHCFWFBV-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CO[C@H](CNC(=O)Nc1ccccc1C)c1ccccc1C 96105176 GNVSVOVJIGRACJ-QGZVFWFLSA-N 298.386 3.813 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 103107019 UYRIPAJMUINYJF-OXJKWZBOSA-N 276.355 3.772 0 40 CHAB CCc1ccc(CC(=O)Nc2ccccc2C)cc1 128105220 OJQWWRJRVOLKML-UHFFFAOYSA-N 253.345 3.739 0 40 CHAB Cc1cc(C)c(N)c(-c2cc3ccccc3oc2=O)c1 216937483 BSCNGEQJBVIBLF-UHFFFAOYSA-N 265.312 3.659 0 40 CHAB CC[C@@H](C(=O)O)N(C)c1ccc(Oc2ccccc2)cc1 224999407 WHGWMIIKGFHQNO-INIZCTEOSA-N 285.343 3.778 0 40 CHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3)o2)C1 226301585 IGWMOTYUURKSKU-BETUJISGSA-N 298.386 3.647 0 40 CHAB CC[C@@H](C)OCc1c(Br)cnn1CC(C)C 408715541 BMZFVNRGUJINRW-SNVBAGLBSA-N 289.217 3.617 0 40 CHAB Cc1ccc(C(=O)c2coc3ccc(C)cc3c2=O)cc1 187385 ACJXLVKLYDNGLE-UHFFFAOYSA-N 278.307 3.641 0 40 CHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 310366 ZQKFCURVDTWQRZ-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB O=C1c2ccc(Cl)cc2C(=O)N1c1ccccc1Cl 362473 AGVMSXNVLLERKK-UHFFFAOYSA-N 292.121 3.794 0 40 CHAB C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccccc1 34245298 ZWNCJNODOVPNTF-KBPBESRZSA-N 253.345 3.668 0 40 CHAB O=C1c2c(ccc3c2CCC3)CC12Cc1ccccc1C2 1855378 JURNTNOECPNKDO-UHFFFAOYSA-N 274.363 3.699 0 40 CHAB Cc1ccccc1[C@H](NC(=O)Nc1cn[nH]c1)C(C)(C)C 79941551 RYDXDDDCVCIEHB-AWEZNQCLSA-N 286.379 3.627 0 40 CHAB Cc1cc(C)c2nc(NC(=O)[C@H]3C[C@H]3C)sc2c1 6627088 HAQZDAJZVPWEKE-SCZZXKLOSA-N 260.362 3.508 0 40 CHAB CC[C@@H](C)NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 7540972 JKUGUMRUYXRVFE-CHWSQXEVSA-N 273.376 3.888 0 40 CHAB COC(=O)c1ccc(CN[C@H](c2cccs2)C(C)C)o1 35046626 NBBXNFIEZQCPDJ-AWEZNQCLSA-N 293.388 3.615 0 40 CHAB Cc1ccccc1CNC(=O)N[C@@H](C)c1cccs1 26244915 DFSPOKXEBMIZQK-LBPRGKRZSA-N 274.389 3.617 0 40 CHAB COc1cc(OC)c(NC(=O)CC2CCCC2)cc1Cl 8723341 SVHWNILLMHTHHQ-UHFFFAOYSA-N 297.782 3.876 0 40 CHAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@H]1CCCO1 8944517 QFTCOKBIIWBURG-GFCCVEGCSA-N 298.367 3.567 0 40 CHAB Cc1cc(C)cc(NCc2cccc3c2OCCO3)c1 36167927 ZIRMITBEEYPZSN-UHFFFAOYSA-N 269.344 3.687 0 40 CHAB Clc1ccc(OCCn2cnc(Cl)c2Cl)cc1 2349718 ZSPABGAMDMXDMB-UHFFFAOYSA-N 291.565 3.922 0 40 CHAB C[C@@H](NC(=O)CCC1CCCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 102404014 GHASTKLRCQNJHQ-DTZQCDIJSA-N 263.425 3.898 0 40 CHAB CCCCCCOCc1ccc(CN2CCOCC2)cc1 68606112 OAONEEXLYGWKGP-UHFFFAOYSA-N 291.435 3.616 0 40 CHAB COc1cccc(-c2cc(-c3cccc(OC)c3)[nH]n2)c1 12357672 MCIHZKAEEMHEPO-UHFFFAOYSA-N 280.327 3.761 0 40 CHAB C[C@@H]1CCCCN1C(=O)CCCc1c[nH]c2ccccc12 12987906 QUUQNPOTIZMKNZ-CQSZACIVSA-N 284.403 3.892 0 40 CHAB CN(C)CCOC1c2ccccc2C=Cc2ccccc21 4167830 DUONCNQHPXEHDQ-UHFFFAOYSA-N 279.383 3.838 0 40 CHAB CC[C@H](C)n1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 6016531 FXYNFEMDQAPXHP-QMMMGPOBSA-N 294.445 3.970 0 40 CHAB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nccc3N2)cc1 4291316 CVFFHRZXJOMAKL-NWDGAFQWSA-N 297.280 3.552 0 40 CHAB CC[C@@H](C(=O)Nc1ccc(SC)nc1)c1ccccc1 65564863 CWJGXVHOPXRVEV-CQSZACIVSA-N 286.400 3.936 0 40 CHAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)c2c[nH]c3ccccc23)C1 5557326 BMYNOEXNAKSRKS-MJBXVCDLSA-N 284.403 3.717 0 40 CHAB Cc1cc2c(-c3ccccc3Cl)nc(=O)[nH]c2s1 22054880 LJEVGRNHKFUVQM-UHFFFAOYSA-N 276.748 3.613 0 40 CHAB in-vitro CC[C@H](C)N[C@H](C)c1ccccc1Br 19882218 ROSKTXKLTYIKJN-VHSXEESVSA-N 256.187 3.898 0 40 CHAB CC(C)C(NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(C)C 113943104 ABFGVTIQUSYFKF-GFCCVEGCSA-N 297.826 3.904 0 40 CHAB CCC(CC)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 8782393 XQVYNKFECWWPEH-UHFFFAOYSA-N 290.407 3.590 0 40 CHAB CCn1cc(CNc2ccc3oc(C(C)C)nc3c2)cn1 95428562 SCQGBZDLALWGSU-UHFFFAOYSA-N 284.363 3.780 0 40 CHAB Clc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 85224096 FBEYVYDAVBOFOJ-UHFFFAOYSA-N 264.115 3.932 0 40 CHAB CCc1cnc(CCN[C@H](C)Cc2ccsc2)s1 95968695 NXQWWBMOUAFEIX-LLVKDONJSA-N 280.462 3.530 0 40 CHAB CCCCSc1nnc(C)n1-c1ccc(OCC)cc1 409094473 FNEZOOFCEILMRG-UHFFFAOYSA-N 291.420 3.867 0 40 CHAB C[C@](O)(Cc1nc(C2CCCCC2)no1)c1ccccc1 184362370 UMJZTZDEGWSKGR-KRWDZBQOSA-N 286.375 3.568 0 40 CHAB CC(=O)N1CCC[C@@H](c2cccc(-c3cccc(C)c3)n2)C1 72357543 TYVXJJDERMTXEV-QGZVFWFLSA-N 294.398 3.783 0 40 CHAB Cc1ccsc1-c1cc(-c2cccs2)nc(N)n1 71978360 FRBCFQBIXGPFFX-UHFFFAOYSA-N 273.386 3.824 0 40 CHAB CSc1cccc2sc(NC[C@@H]3CCCO3)nc12 75172853 GARSCHCUURIINY-VIFPVBQESA-N 280.418 3.609 0 40 CHAB CCc1nc(NC(=O)c2cn(C)c3ccccc23)sc1C 71285274 OCCUDQHXBMFZPW-UHFFFAOYSA-N 299.399 3.758 0 40 CHAB COc1cccc([C@H](O)c2ccccc2Br)c1 43560644 RAROXVDEVSSDAJ-AWEZNQCLSA-N 293.160 3.539 0 40 CHAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)C(C)C 225230916 QLAJLUHWVVNCJQ-DOMZBBRYSA-N 297.826 3.967 0 40 CHAB Cc1cc(F)cc(C(=O)c2cc(F)cc(F)c2)c1 43210189 SVFWHAFTXACPPC-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB CCOC(=O)c1ccc2oc(-c3ccccc3)nc2c1 45920165 TWXCYSPTEXWKHU-UHFFFAOYSA-N 267.284 3.672 0 40 CHAB Cc1ccc(CC(=O)NCCC2=CCCCC2)c(C)c1 224935352 RXKIKPCOXXPULT-UHFFFAOYSA-N 271.404 3.853 0 40 CHAB CC(C)(C)SCCNC(=S)Nc1cccc(F)c1 225350812 XJHDMLJWRKMJOE-UHFFFAOYSA-N 286.441 3.644 0 40 CHAB Cc1ccc([C@H](C)NC(=O)NC2CCCCC2)cc1C 225757706 DJCQIRSOSZZNSB-AWEZNQCLSA-N 274.408 3.996 0 40 CHAB CCCOc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1 226274527 WEHSCFGWAHXVEN-CYBMUJFWSA-N 299.370 3.781 0 40 CHAB Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](C)C1CCCCC1 96440284 ZQGFNOXTOIPSAN-MNOVXSKESA-N 293.411 3.620 0 40 CHAB Brc1cccc2c(Br)nccc12 26507152 SKYCABFBFRHWLJ-UHFFFAOYSA-N 286.954 3.760 0 40 CHAB CCOC(=O)Nc1cccc(OCC(=O)c2ccccc2)c1 255189792 SBSSOPAYCPLSIX-UHFFFAOYSA-N 299.326 3.517 0 40 CHAB Oc1cc(-c2cccc(OCc3ccccc3)c2)no1 725328078 WBTQIJGIHYWCHQ-UHFFFAOYSA-N 267.284 3.626 0 40 CHAB COc1cc(C(=O)CCc2ccccc2)ccc1F 164125026 DTWFHMZOQBGQDU-UHFFFAOYSA-N 258.292 3.650 0 40 CHAB COc1c(F)cc(Br)cc1C(F)(F)F 90411348 JYIJZSRKYHZZBO-UHFFFAOYSA-N 273.023 3.616 0 40 CHAB in-vitro C[C@H]1C[C@H](C)CN(c2ccc(C(F)(F)F)cc2N)C1 8702540 XJUHKVNHANVGGQ-UWVGGRQHSA-N 272.314 3.770 0 40 CHAB Cc1nc2ncc(C)c-2c(Nc2c(C)cccc2C)[nH]1 5579639 PSAWLVVHXWSNAD-UHFFFAOYSA-N 266.348 3.887 0 40 CHAB CSc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 6425587 FTFAPTOGIUMGDF-LBPRGKRZSA-N 287.384 3.815 0 40 CHAB Cc1cccc(CCC(=O)NC2CCC(F)(F)CC2)c1 407947275 AXBAONRAQABCHG-UHFFFAOYSA-N 281.346 3.622 0 40 CHAB COc1cc(CNc2cc(C)ccc2C)ccc1O 19964566 CVIQHUWAFJFUAI-UHFFFAOYSA-N 257.333 3.630 0 40 CHAB C[C@H]1CCCCN1CCCNC1CCCCCC1 19912905 OERFHJMDYSIMQY-HNNXBMFYSA-N 252.446 3.563 0 40 CHAB Cc1cc2nccc(C3CCN(C4CCCCC4)CC3)n2n1 2037845553 BDZPKAOWCFDXRT-UHFFFAOYSA-N 298.434 3.550 0 40 CHAB CCCN(Cc1ccccc1)C(=O)c1cccs1 40160493 FCBJMNSAZIZWNI-UHFFFAOYSA-N 259.374 3.801 0 40 CHAB Cc1ccc(-c2cc(C(=O)O)c3c(C)noc3n2)c(C)c1 22176933 PMDKKOGRWREGQK-UHFFFAOYSA-N 282.299 3.513 0 40 CHAB NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 104415093 GRWLSDLGODCXPL-UHFFFAOYSA-N 269.678 3.869 0 40 CHAB CCCCCCc1nnc(NC(=O)c2ccccc2)s1 3016574 NHIRYKXCCFFAKI-UHFFFAOYSA-N 289.404 3.913 0 40 CHAB CC[C@H](c1ccccc1)c1cc2c(cc1OC(C)=O)OCO2 1582272 HWGRHUQNPZLJGH-CQSZACIVSA-N 298.338 3.883 0 40 CHAB O[C@@H](c1ccccc1)c1cccc([C@@H](O)c2ccccc2)c1 1622474 UZPMZQGSWBSPCX-PMACEKPBSA-N 290.362 3.850 0 40 CHAB CCN[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 2034009 WUTPZXNDFFUYFZ-GOSISDBHSA-N 285.387 3.597 0 40 CHAB O=C(c1cccc(C2OCCO2)c1)c1ccccc1Cl 43212566 HJZOIXLJSBWZRV-UHFFFAOYSA-N 288.730 3.616 0 40 CHAB C[C@H]1CCc2c(nc3sc4c(c3c2N)CCCC4)C1 3213760 NHXKBWDWRQKPLQ-VIFPVBQESA-N 272.417 3.882 0 40 CHAB CCCCCNCc1cc(Br)ccc1OC 6427698 QMBDYFPOTUJWBS-UHFFFAOYSA-N 286.213 3.738 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1ccc(Cl)cc1 1469251 KBTXXJXEXLKFJD-VXGBXAGGSA-N 265.784 3.672 0 40 CHAB CCc1ccc2oc(-c3ccccc3)c/c(=N\CCO)c2c1 1892421 JJOUUCOXJJDMOH-LVZFUZTISA-N 293.366 3.555 0 40 CHAB biogenic,in-vitro CCOc1ccccc1CNC(=O)c1cc2ccccc2o1 53164510 FQFVDAPHTURXAA-UHFFFAOYSA-N 295.338 3.762 0 40 CHAB Cc1cccc(NC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 101489913 LMBPCPDQHYOTBR-IXYNUQLISA-N 272.392 3.941 0 40 CHAB C/C=C/C=C/C(=O)Nc1ccc(N2CCCCC2)cc1 12516971 SWCADYOAVALPLU-YNRRLODASA-N 270.376 3.748 0 40 CHAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1C 102762853 SARMQCKLFJLBAG-VIFPVBQESA-N 277.364 3.546 0 40 CHAB COCCCCCN1C(=O)c2cccc3cccc1c23 72302008 GRSAJVYFUJBROY-UHFFFAOYSA-N 269.344 3.617 0 40 CHAB CSc1nc(O)c2scc(-c3ccccc3F)c2n1 62591982 AFDAYMVJHVQALW-UHFFFAOYSA-N 292.360 3.925 0 40 CHAB Cc1ccnc(NC(=O)c2cc3cc(C)ccc3o2)c1 48782394 VNCSJKLIBLNVQK-UHFFFAOYSA-N 266.300 3.697 0 40 CHAB CCNC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 13656248 YBGFEAYNEIPQNN-UHFFFAOYSA-N 296.399 3.536 0 40 CHAB CSc1cccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 13737200 QFVNBSDTVMZLJM-RYUDHWBXSA-N 278.421 3.918 0 40 CHAB CC(C)CO[C@H]1C[C@@H](OC(=O)c2ccccc2F)C1(C)C 84544353 AWIRHGANWZPAOK-LSDHHAIUSA-N 294.366 3.822 0 40 CHAB O=C(CCC1CCCCC1)NCc1nc2ccccc2[nH]1 6657564 LKIIEABFWIJVLA-UHFFFAOYSA-N 285.391 3.540 0 40 CHAB C/C(=C\C(=O)Nc1ccc(Cl)cc1)NCc1ccco1 6651964 GYBIYSJHUJQVOQ-PKNBQFBNSA-N 290.750 3.565 0 40 CHAB O=C(Nc1cccnc1)c1ccc(COc2ccccc2)o1 15435861 DJWPBMWZSYLRGN-UHFFFAOYSA-N 294.310 3.506 0 40 CHAB CCCCN1C(=O)c2ccccc2[C@H]1NCc1ccccc1 19907489 LENFWPSQJGLMSQ-SFHVURJKSA-N 294.398 3.731 0 40 CHAB COc1ccc(OC)c2sc(NCc3ccco3)nc12 75172873 ZFTKJYRQYACXKQ-UHFFFAOYSA-N 290.344 3.519 0 40 CHAB Cc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1N 22124501 CLAAPDDYGKKECN-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB Cc1cc(-c2ccccc2F)ncc1Br 536953798 MGVHWSRYTAEHQP-UHFFFAOYSA-N 266.113 3.959 0 40 CHAB NC(=O)CCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 216924661 CPVHOPCKGCBXPJ-UHFFFAOYSA-N 284.142 3.671 0 40 CHAB C[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)[C@@H](c2ccco2)C1 75389260 GKVDODOCCRFVJS-QLFBSQMISA-N 273.376 3.936 0 40 CHAB CCCNc1ncccc1[C@H]1CCCCN1CCC 72213153 VCXJHTFDJVRVOF-OAHLLOKOSA-N 261.413 3.841 0 40 CHAB Fc1ccccc1C1CCN(Cc2ccncc2)CC1 72342079 GBXSGBNXAFPUBG-UHFFFAOYSA-N 270.351 3.600 0 40 CHAB Cc1cccnc1C(=O)c1cc(Cl)ccc1Cl 45028696 DFJVWFYEUSYYLU-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1cccc(Cl)c1 43879317 VUDOUWMBJSNIEY-ZWNOBZJWSA-N 280.751 3.804 0 40 CHAB CCCCn1c(Cc2ccccc2)ccc1C(=O)OC 226027730 WYFHXOLDCUFTLC-UHFFFAOYSA-N 271.360 3.666 0 40 CHAB COc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1F 48340555 HUFOHKUGWFTDFM-LLVKDONJSA-N 294.370 3.527 0 40 CHAB CN(C(=O)/C=C/c1ccccc1Cl)C1CCCC1 192986790 FXSYCSJMLFMVEN-ZHACJKMWSA-N 263.768 3.754 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@@H]1[C@H]2CCCC[C@H]21 245289631 DDIOMJGDTLZALT-ITGUQSILSA-N 294.192 3.824 0 40 CHAB C[C@@H](CC(=O)O[C@H](C)c1nc2ccccc2[nH]1)C1CC1 64364748 YERIVVDVYXTFMF-WDEREUQCSA-N 272.348 3.603 0 40 CHAB O=c1[nH]c2ccccc2nc1/C=C\c1cccc(Cl)c1 96096347 QMOWONPQQVSJMC-HJWRWDBZSA-N 282.730 3.747 0 40 CHAB Fc1ccc(Br)cc1NCC(F)(F)F 36752196 GDVPRRVOZHVKQA-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB Cc1cc(COc2ccc(Cl)c3c2C(=O)C[C@H]3C)no1 46111057 QCTLFVHDGVRTPB-MRVPVSSYSA-N 291.734 3.905 0 40 CHAB Cc1cc(F)ccc1NCc1noc(-c2cccs2)n1 78252611 QXTGRTSQGNBIBQ-UHFFFAOYSA-N 289.335 3.858 0 40 CHAB Fc1ccc(-c2n[nH]cc2CNCc2cccs2)cc1 40477684 QKJFOCMDYBUZRC-UHFFFAOYSA-N 287.363 3.567 0 40 CHAB Cc1ccc(C(=O)NCc2cccc(Cl)c2)c(F)c1 94195644 APSSIUMZMKJQPE-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB CC(C)CNCc1cccn1Cc1ccc(Cl)cc1 91001901 ASKWUSULSSNFMM-UHFFFAOYSA-N 276.811 3.935 0 40 CHAB O=C(Cc1ccccc1Cl)NC1CCC(F)(F)CC1 336394633 RSYWDYNSOWNMOP-UHFFFAOYSA-N 287.737 3.577 0 40 CHAB CN(C)c1ccc(NC(=O)c2nc3ccccc3s2)cc1 479756 JBGPGQUOSYIZHA-UHFFFAOYSA-N 297.383 3.615 0 40 CHAB CO/C(=C\c1sc2ccccc2[n+]1C)Cc1ccccc1 844804 NMXHHQGAWKQMHM-SQFISAMPSA-N 296.415 3.956 0 40 CHAB COc1ccc([C@H]2ON(c3ccccn3)CC=C2C)cc1 13214732 DRWFAZTXANKKGB-KRWDZBQOSA-N 282.343 3.529 0 40 CHAB O=C(OC1CCC2(CC1)SCCS2)c1ccccc1 1765111 AHRRFTHHCIRRBH-UHFFFAOYSA-N 294.441 3.962 0 40 CHAB CN(C)CCCN1c2ccccc2Sc2cnccc21 1579079 PKUROYWZWHYCHD-UHFFFAOYSA-N 285.416 3.636 0 40 CHAB in-vitro CCN(CC)CC(=O)N(C1CCCCC1)C1CCCCC1 6660005 QAUDLDRYBDIOMF-UHFFFAOYSA-N 294.483 3.822 0 40 CHAB COC(=O)CCCCC(=O)c1csc2ccccc12 575362454 NJPSUNDFUAZKJI-UHFFFAOYSA-N 276.357 3.817 0 40 CHAB CCOc1ccc(NC(=O)NCCc2cccs2)cc1 40095555 HZTGAHPEBYCGMQ-UHFFFAOYSA-N 290.388 3.511 0 40 CHAB CC(C)NCc1cccnc1Oc1cccc(F)c1 51549773 UTHZDTHEFMQSLM-UHFFFAOYSA-N 260.312 3.511 0 40 CHAB CC(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C)cc1 51751384 RUXUKUBKGQCAIX-VXGBXAGGSA-N 274.364 3.542 0 40 CHAB CCSc1cc(N2CCCC2)nc(-c2ccccc2)n1 387271 CLXVYDNWHUFKJJ-UHFFFAOYSA-N 285.416 3.856 0 40 CHAB COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1N 21950701 XTCKUBYLEGTIJK-UHFFFAOYSA-N 295.260 3.741 0 40 CHAB CC[C@H]1C[C@@H]2CCN1[C@H]([C@H](O)c1ccnc3ccccc13)C2 102918614 YGSPYMMGHMAUNZ-KODHJQJWSA-N 296.414 3.531 0 40 CHAB CC(C)n1nccc1NC(=O)c1ccc(-n2cccc2)cc1 22290058 MXWQQFZTSJZKAR-UHFFFAOYSA-N 294.358 3.507 0 40 CHAB O=C(Nc1ccc(OCC(F)(F)F)cc1)C1CCCC1 54126246 IUDUCZAKWWWALH-UHFFFAOYSA-N 287.281 3.756 0 40 CHAB CSc1nccc(Oc2ccccc2Cl)n1 480205 TVSUNIJSWZFARR-UHFFFAOYSA-N 252.726 3.644 0 40 CHAB Cc1cccc2sc(NC(=O)c3ccccc3)nc12 567703 GCMSXIMYJLIHOD-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB CNCCCC12CC(c3ccccc31)c1ccccc12 1570787 GNHHEQNIAAPGJW-UHFFFAOYSA-N 263.384 3.821 0 40 CHAB CC[C@@](O)(c1ccccc1)[C@H](OC)c1ccccc1 1597677 OOJYEFKCICPSQA-IAGOWNOFSA-N 256.345 3.672 0 40 CHAB CN(C)CCCN1c2ccccc2Cc2ccccc21 1677753 PIRAQJMOVRSLRB-UHFFFAOYSA-N 266.388 3.681 0 40 CHAB in-vitro Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O)c1 3394163 UNHBQSXNGUQFQF-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB c1ccc(OCCSCc2nc3ccccc3[nH]2)cc1 4749005 QLEYQHMKCLRAFV-UHFFFAOYSA-N 284.384 3.875 0 40 CHAB O=C(Cc1ccccc1F)Nc1ccccc1N1CCCC1 5089930 WNZBKSSIQSMONM-UHFFFAOYSA-N 298.361 3.607 0 40 CHAB CC[C@@H](C)NC(=S)Nc1ccc(C)c(Cl)c1 7557222 WBZDEVDLINUWOI-SECBINFHSA-N 256.802 3.733 0 40 CHAB CC(=O)Nc1ccccc1OCc1ccc(C)cc1 7895509 QYBJOIJKIYZPHB-UHFFFAOYSA-N 255.317 3.532 0 40 CHAB O=C(c1ccc(-n2cccc2)cc1)N1CCc2ccccc21 9156476 PKPLXZZMRKISOO-UHFFFAOYSA-N 288.350 3.680 0 40 CHAB Cc1n[nH]c(SCCOc2ccc(C(C)(C)C)cc2)n1 11701514 AVRAQJRVGLFLFN-UHFFFAOYSA-N 291.420 3.582 0 40 CHAB Cc1ccccc1S[C@@H](C(=O)O)c1ccccc1 11804263 KLDVNMLBHGWENH-CQSZACIVSA-N 258.342 3.913 0 40 CHAB O=C(O)c1ccc(COc2ccc(F)cc2Cl)s1 12357625 ZGFFSPKCSZGCAQ-UHFFFAOYSA-N 286.711 3.818 0 40 CHAB CCN(CC)C(=O)c1ccccc1OCc1ccccc1 13686911 SPQPZKUZNFUOAY-UHFFFAOYSA-N 283.371 3.748 0 40 CHAB O=C(Nc1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 16489400 VWBIGBXHXKNARH-KBPBESRZSA-N 258.365 3.731 0 40 CHAB CCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20136527 NNCIFZDFESCLFN-UHFFFAOYSA-N 293.750 3.831 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCCCCC1 20454009 YAAYFBOHLPRVFG-KRWDZBQOSA-N 289.419 3.863 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(Cl)cc1Cl 23555606 IMODMLZRQKPOTO-VHSKPIJISA-N 272.175 3.827 0 40 CHAB Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)s1 25714334 GJKLBZCBXLYFFU-UHFFFAOYSA-N 283.396 3.986 0 40 CHAB CCOCc1ccccc1CNc1nc2ccccc2o1 30518099 PIXGZCRWSGEUED-UHFFFAOYSA-N 282.343 3.976 0 40 CHAB O[C@H](c1ccccc1)[C@H](Nc1ccccn1)c1ccccc1 31672791 CMOPYVABRRLFCM-RTBURBONSA-N 290.366 3.968 0 40 CHAB CSc1ccc([C@H](C)NC(=O)[C@@H]2CC=CCC2)cc1 31695236 MZCFASOPNDEOPM-GXTWGEPZSA-N 275.417 3.942 0 40 CHAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1cccs1 32865228 YFXQIFMFUIGAHW-LLVKDONJSA-N 251.395 3.848 0 40 CHAB CCCOc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 40104862 WUGCUFJECVGYHC-CYBMUJFWSA-N 276.380 3.739 0 40 CHAB Cc1ccc(C(=O)c2ccc(C3OCCO3)cc2)c(C)c1 43212649 AAWVQRBAOGNFPF-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB CCN(C)c1cccc(NC(=O)NCc2cccs2)c1 58322950 TVGMPNFHTVXCQE-UHFFFAOYSA-N 289.404 3.526 0 40 CHAB Cc1nnc([C@H](C)Sc2cccc(Cl)c2)o1 69870138 BECFXOBTXDCXOR-ZETCQYMHSA-N 254.742 3.885 0 40 CHAB CCN(CC)C1CCN(Cc2ccc3ccccc3n2)CC1 71914555 GOLZKCWRVPXYNF-UHFFFAOYSA-N 297.446 3.541 0 40 CHAB Nc1nc(-c2ccc(F)cc2)cc(-c2ccccc2F)n1 71977682 CFSVGRIEQGKSPK-UHFFFAOYSA-N 283.281 3.671 0 40 CHAB Cc1cccnc1[C@@H]1CCCN1Cc1ccccc1 72211121 ASHBIZXTLZJOPU-INIZCTEOSA-N 252.361 3.727 0 40 CHAB CC[C@H](C)Nc1ccc([C@@H]2CCCCN2CC)cn1 72213534 ZRONWPSXWANAID-ZFWWWQNUSA-N 261.413 3.839 0 40 CHAB COC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)on1 83153864 LATGMKPDRLEKEA-UHFFFAOYSA-N 295.294 3.921 0 40 CHAB CC(=O)Nc1ccccc1CN(C[C@@H]1C[C@@H]1C)C(C)C 93661793 XXXLBZURADZAMR-BBRMVZONSA-N 274.408 3.511 0 40 CHAB Fc1ccc(OC(Cl)(Cl)Cl)c(F)c1F 95215550 UFSOCTXMSVHPAF-UHFFFAOYSA-N 265.445 3.810 0 40 CHAB Cc1csc(CCCN[C@@H](C)Cc2ccsc2)n1 95421635 AASCVQQCAHGBDM-NSHDSACASA-N 280.462 3.666 0 40 CHAB Brc1nc2cccc(Br)c2s1 95949851 LGPZMZJYFSUFCI-UHFFFAOYSA-N 292.983 3.821 0 40 CHAB Cc1c(C)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12 96675121 XVZDDRYMDQYUFQ-QGZVFWFLSA-N 277.323 3.975 0 40 CHAB C[C@@H](CSC(C)(C)C)Nc1ccc([S@](C)=O)cc1 97084583 NWDLSBBGMKCJSN-BBATYDOGSA-N 285.478 3.756 0 40 CHAB Cc1noc(C)c1CCCN[C@@H](C)c1cccs1 97228487 XLMOEJDMOVRUTK-NSHDSACASA-N 264.394 3.636 0 40 CHAB COC[C@H](NCC(=O)N1CCCCCC1)c1ccco1 97373864 PFFZVOPRMQAWQT-CQSZACIVSA-N 280.368 1.959 0 40 CHAB F[C@]1(Br)[C@H]2[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C3(CC3)[C@H]21)C41CC1 100682009 PQVHWNNEXXKKEF-ZEFKKWPESA-N 295.195 3.915 0 40 CHAB c1ccc([C@H]2CCC[C@@H]2NCc2nnc(C3CCC3)o2)cc1 133552482 WKFWNBHSASJUJF-CVEARBPZSA-N 297.402 3.763 0 40 CHAB Cc1ccc(C(=O)NCCSCc2ccco2)cc1C 138686548 HQCRBZNAFRBHDY-UHFFFAOYSA-N 289.400 3.560 0 40 CHAB CCNc1ccc(NC(=O)c2ccc(C)cc2)cc1 204877581 NUXCFQILNURDMK-UHFFFAOYSA-N 254.333 3.679 0 40 CHAB CC[C@H](C(=O)O)N1c2cc(OC)ccc2C(C)=CC1(C)C 223197010 OLLPZFKWDOUQRV-CQSZACIVSA-N 289.375 3.560 0 40 CHAB CCCNC(=O)c1ccc(Nc2ccc(CC)cc2)c(N)c1 225420441 PPOUHMAXCFHKEQ-UHFFFAOYSA-N 297.402 3.715 0 40 CHAB CCc1ccc(CC)c(CNC(=O)COc2ccccc2)c1 225839142 XOPLZODPBSETBO-UHFFFAOYSA-N 297.398 3.507 0 40 CHAB CCCc1ccc(CNCc2ccc(OC)cc2)n1CC 226020985 OYLZUWZVCXAMQV-UHFFFAOYSA-N 286.419 3.759 0 40 CHAB Cc1cn(C(C)C)nc1NCc1cc(F)cc(F)c1 256049881 BWFVLSMGYWPMBU-UHFFFAOYSA-N 265.307 3.663 0 40 CHAB c1ccc(CSC2=NCCN2Cc2ccccc2)cc1 365008845 YGMRVFCIYVCJKS-UHFFFAOYSA-N 282.412 3.792 0 40 CHAB Cc1ccc(C)n1Nc1cccc(C(F)(F)F)c1 409179402 MQRPWQVZKACLNG-UHFFFAOYSA-N 254.255 3.999 0 40 CHAB CC(C)[C@H](CSC(F)(F)F)NC(=O)OC(C)(C)C 1504250784 QPXCMKUHCVTTMY-QMMMGPOBSA-N 287.347 3.789 0 40 CHAB O=C(O)Cc1ccc2sc(-c3ccccc3)nc2c1 38228 CGJFGPQHBSLGOO-UHFFFAOYSA-N 269.325 3.590 0 40 CHAB Cc1ccc2ncnc(Nc3cc(C(=O)O)ccc3C)c2c1 151219 IETBRUHIYQMPDX-UHFFFAOYSA-N 293.326 3.688 0 40 CHAB CCCCCSc1nnc(-c2ccc3c(c2)OCO3)o1 77896313 PCKZLKMTXZISTL-UHFFFAOYSA-N 292.360 3.748 0 40 CHAB C[C@H]1C[C@H](NC(=O)c2cccs2)CC(C)(C)C1 1030411 TVPKFTKNVSYTLO-QWRGUYRKSA-N 251.395 3.693 0 40 CHAB CCCc1cc2c3c(c(=O)oc2cc1O)CCCCC3 1639766 RKCIAHNIQPQZHS-UHFFFAOYSA-N 272.344 3.720 0 40 CHAB CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 7724201 JGMDPKZXYYVKCX-GFCCVEGCSA-N 287.334 3.794 0 40 CHAB CC(=O)c1ccc(NCC(=O)c2ccc(C)cc2C)cc1 26441749 DLCSBCPQTMBLRN-UHFFFAOYSA-N 281.355 3.801 0 40 CHAB Cc1ccnc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1 12533828 MHKLXZYTKVGURG-OCCSQVGLSA-N 284.359 3.678 0 40 CHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Cc2ccccc2)C1 100633974 NUSSVXFEPJRVRI-MAUKXSAKSA-N 271.404 3.656 0 40 CHAB C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2[C@@H]3CC=CC[C@@H]3C(=O)N21 2097571 MAFXGFNNEKUFGD-IUWMUCMRSA-N 292.382 3.578 0 40 CHAB biogenic Cc1ccc(C[S@@](=O)Cc2cccc(F)c2)cc1 58279339 LHYPPJKAYPRDBZ-SFHVURJKSA-N 262.349 3.583 0 40 CHAB Cc1cccnc1NC(=O)Nc1ccc2c(c1)CCC2 20419223 XBMPAUKJOHQPOV-UHFFFAOYSA-N 267.332 3.523 0 40 CHAB O=C(NCC1(c2ccccc2)CC1)c1cc2ccccc2o1 11749890 CLVLABALZQEEEG-UHFFFAOYSA-N 291.350 3.894 0 40 CHAB C[C@H](NC(=O)Cc1ccsc1)c1cc2ccccc2o1 12692773 PMQSSNLVRMRBNI-NSHDSACASA-N 285.368 3.914 0 40 CHAB Cc1ccc(OCCCC(=O)N2CCC=C(F)C2)cc1C 95464786 FBPDDRZJYGTMDL-UHFFFAOYSA-N 291.366 3.548 0 40 CHAB Cc1nn2c(C(F)F)cc(C3CC3)nc2c1Cl 2786982 MYUCVCFYFIWBFJ-UHFFFAOYSA-N 257.671 3.506 0 40 CHAB Cc1cc(Cl)ccc1OCC(=O)NC1CCC(C)CC1 3443685 PZDADFFTGUKLBY-UHFFFAOYSA-N 295.810 3.722 0 40 CHAB CCCc1nc(Cl)nn1-c1ccc(Cl)cc1 22125699 RKLQROUKIFTVDR-UHFFFAOYSA-N 256.136 3.527 0 40 CHAB CCC(C)(C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 13004965 BSJQIZPEWLHCMF-UHFFFAOYSA-N 284.403 3.965 0 40 CHAB Cc1n[nH]cc1CNc1cccc(CSC(C)C)c1 95429266 SRWQTXKIKIIACW-UHFFFAOYSA-N 275.421 3.972 0 40 CHAB C[C@@H](CN(C)C(=O)c1cccc2[nH]ccc12)c1nccs1 96011026 ODIKRHMKUVCTIP-NSHDSACASA-N 299.399 3.500 0 40 CHAB Cc1cccc(NCc2ccc(-n3ccnc3)cc2)c1 4025486 YTKRGRUUYODEAS-UHFFFAOYSA-N 263.344 3.793 0 40 CHAB CC(C)(C)c1cc(NC(=O)c2ccc(F)c(F)c2)no1 27925245 UCUYYXDLKRAOQN-UHFFFAOYSA-N 280.274 3.503 0 40 CHAB Cc1ccccc1-c1noc(-c2cc(-c3ccco3)n[nH]2)n1 7424889 QHMZBEPRJDYLMS-UHFFFAOYSA-N 292.298 3.695 0 40 CHAB Cc1ccccc1CSc1nc(C(C)(C)C)cc(=O)[nH]1 15986881 DVRUZKGETQPAEY-UHFFFAOYSA-N 288.416 3.668 0 40 CHAB Cc1nc(NC(=O)NC[C@H]2CCCc3ccccc32)oc1C 84061614 WGNLPFMHAWBHFH-CQSZACIVSA-N 299.374 3.533 0 40 CHAB Cc1c(C(=O)N[C@H](C)c2ccccn2)oc2ccc(F)cc12 9861868 YTUQTKAOURTIIM-LLVKDONJSA-N 298.317 3.766 0 40 CHAB CC(C)NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 76092918 HSFNVJIYDZPFMR-CYBMUJFWSA-N 283.375 3.517 0 40 CHAB COc1cccc(C(=O)c2cc(Cl)ccc2OC)c1 55198984 UVUHWCAIVJSMQQ-UHFFFAOYSA-N 276.719 3.588 0 40 CHAB CCOc1ccc2cc(C(=O)O)n(Cc3ccccc3)c2c1 67799291 QTRSYNABMLSVFQ-UHFFFAOYSA-N 295.338 3.787 0 40 CHAB Cc1ccc(-c2ccc(OC(=O)c3cccs3)nn2)cc1 408528767 KTUSDLUWCREOHA-UHFFFAOYSA-N 296.351 3.733 0 40 CHAB CC(C)N1CCCC[C@H]1c1ccc(NC2CCC2)nc1 72213859 YCIFGKQBDORCGC-INIZCTEOSA-N 273.424 3.981 0 40 CHAB Cc1ccc(C)c(-c2nc3cc(-n4cnnc4)ccc3o2)c1 73639805 RQEXDDNIMBYQAJ-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccc(C)cc2N)cc1 70462841 ASXYQMMHAPEYGD-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB CC[C@@H](C)c1cc(Cl)ccc1OC1CCNCC1 42775400 MYDTWMRCPBYNCF-LLVKDONJSA-N 267.800 3.984 0 40 CHAB CCSc1ccccc1C(=O)N[C@@H](C)Cc1ccco1 42381839 PLLZBZBRCOPOAT-LBPRGKRZSA-N 289.400 3.753 0 40 CHAB CC1(C)CCN(C(=O)COc2ccccc2)c2ccccc21 96100841 SDLHGLYWNQJXEM-UHFFFAOYSA-N 295.382 3.780 0 40 CHAB O=C(CCc1ccccc1Br)C(F)(F)F 257198224 WPGYJENEMWEKHQ-UHFFFAOYSA-N 281.071 3.513 0 40 CHAB Cc1c(-c2ccccc2)[nH]c2cccc(F)c2c1=O 685938638 RBDXYDMKKFZGJZ-UHFFFAOYSA-N 253.276 3.643 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1F 40162161 QMQKASODBPABNL-UHFFFAOYSA-N 297.782 3.742 0 40 CHAB Cc1noc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1Cl 5007069 OOOALQBGZHYFSP-MEBBXXQBSA-N 296.798 3.677 0 40 CHAB Cc1cc(COC(=O)CCCc2c[nH]c3ccccc23)no1 5280922 AJRUFOBJMWXPGS-UHFFFAOYSA-N 298.342 3.530 0 40 CHAB Cc1cc(N2CCCC[C@@H]2C)nc(-c2ccccc2O)n1 13121768 FMZBBVHDLZXBKP-ZDUSSCGKSA-N 283.375 3.536 0 40 CHAB CCc1ccc(CCC(=O)N(C)c2ccccc2)cc1 13670370 UYNLIGSWBXYJEU-UHFFFAOYSA-N 267.372 3.845 0 40 CHAB CC(C)c1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccccc1 19454265 BRQNYTMTBOCHLP-QAPCUYQASA-N 293.414 3.862 0 40 CHAB CCOc1ccc([C@H](N)c2cccc(Cl)c2)cc1 19967421 JNZWYHLQVPTSOU-HNNXBMFYSA-N 261.752 3.787 0 40 CHAB in-vitro CCc1cc2c(N[C@H](C)c3cccnc3)ncnc2s1 24059159 YNIQOZYUUMKUEI-SNVBAGLBSA-N 284.388 3.822 0 40 CHAB CC(C)(C)c1ccccc1OCC[C@H]1CCCCN1 20221534 FXOZRFFMAOFUBY-CQSZACIVSA-N 261.409 3.895 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2ccccc2o1 189187 HJPYOWXYFBGBTP-UHFFFAOYSA-N 299.713 3.699 0 40 CHAB CC(C)CNC(=O)c1cc(-n2cccc2)ccc1Cl 20732645 CJLRQJMQEQASON-UHFFFAOYSA-N 276.767 3.517 0 40 CHAB Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1 217275 YDWXOUSZTLISCA-LRDDRELGSA-N 282.387 3.852 0 40 CHAB Cc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1 352572 LYMXQANZNHVUJE-UHFFFAOYSA-N 286.334 3.847 0 40 CHAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 32895215 JAKOICQHRPAZKN-NWDGAFQWSA-N 277.330 3.804 0 40 CHAB COc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 58045 LRGFVGKVTITXOU-UHFFFAOYSA-N 266.296 3.777 0 40 CHAB biogenic O=C(Nc1cccc(Cl)c1)c1noc2c1CCCCC2 426554 CZSBGORNEHWFDJ-UHFFFAOYSA-N 290.750 3.849 0 40 CHAB Oc1cccnc1Nc1cccc(C(F)(F)F)c1 481443 KVCJYYMLTBZFJT-UHFFFAOYSA-N 254.211 3.550 0 40 CHAB COc1cc(OC)c2c(C)c(-c3ccccc3)c(=O)oc2c1 2573916 VJWZDSFWPRPDQO-UHFFFAOYSA-N 296.322 3.786 0 40 CHAB O=C(NCc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 2628997 QKQQHHUNEJEZDV-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB Cc1occc1CN(C)C(=O)CCc1c[nH]c2ccccc12 55461444 OIYIWAGGXKGTDF-UHFFFAOYSA-N 296.370 3.661 0 40 CHAB O=C1N[C@@H](c2cccs2)Nc2sc3ccccc3c21 4653676 PDTGQJHRSOUTBM-GFCCVEGCSA-N 286.381 3.817 0 40 CHAB Cc1ccccc1CNC(=O)/C=C/c1ccccc1Cl 7977033 LLBADFONRXSSIJ-ZHACJKMWSA-N 285.774 3.978 0 40 CHAB CC(C)Sc1ccccc1C(=O)NCc1ccco1 8051026 LRLHFLJKYSVLRU-UHFFFAOYSA-N 275.373 3.710 0 40 CHAB Cc1ccc([C@H](C)N(C)Cc2nnsc2Cl)cc1 47960267 NSGUAQLVKMZPSV-JTQLQIEISA-N 281.812 3.693 0 40 CHAB CC(C)NCCN1c2ccccc2CCc2ccccc21 26892715 PBBVCWDLBGGVBY-UHFFFAOYSA-N 280.415 3.921 0 40 CHAB CCc1ccc(C(=O)Nc2ccccc2Br)o1 36393531 YBSZPJCQEOKERH-UHFFFAOYSA-N 294.148 3.857 0 40 CHAB O=C(Nc1cccc(NC(=O)C2CCCC2)c1)c1ccco1 11177807 HNSLIDWHQHKHBD-UHFFFAOYSA-N 298.342 3.661 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)Cc2cccs2)c(C)c1 3231031 BDENJWBACLKQQV-ZDUSSCGKSA-N 273.401 3.726 0 40 CHAB CCc1ccc(CN(C)C(=O)Nc2c(C)noc2C)cc1 60343579 BDGVJHIBYGUKET-UHFFFAOYSA-N 287.363 3.518 0 40 CHAB CCCCO[C@@H]1OCN(C2CCCCC2)CC1(C)C 61916437 QTUOZAGXZXTNCK-OAHLLOKOSA-N 269.429 3.778 0 40 CHAB CC(=O)OC[C@]12CC[C@@](CCC=C(C)C)(C[C@@H]1C)OC2 101570857 AXJOCLMFQAZKPU-XIRDDKMYSA-N 280.408 3.871 0 40 CHAB Cc1ccccc1OCCCC(=O)Nc1cccc(F)c1 12728206 OQUZUFFDGUGDNY-UHFFFAOYSA-N 287.334 3.932 0 40 CHAB Cc1cc(C)cc(CSCC(=O)N2CCC[C@@H](C)C2)c1 10541050 GWKUDIZSKZNDSO-CYBMUJFWSA-N 291.460 3.795 0 40 CHAB Cc1nc(-c2cccc(NC(=O)C(F)(F)F)c2)cs1 112020561 RYRZQRMKMMBJSJ-UHFFFAOYSA-N 286.278 3.619 0 40 CHAB CCCOc1ccccc1NC(=O)c1cccc(F)c1 6330737 AHJQQDPWOHCBBS-UHFFFAOYSA-N 273.307 3.867 0 40 CHAB C[C@@H](NC(=O)Cc1ccccc1)c1cc2ccccc2o1 14198419 XTIJIFPIRJKVAI-CYBMUJFWSA-N 279.339 3.853 0 40 CHAB Cc1cc(Br)ccc1NC(=O)C(C)(C)C 14258273 SVIPZLVKLGRAQC-UHFFFAOYSA-N 270.170 3.742 0 40 CHAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccccc2)C1 72404938 ZJNCYAXHNPXANC-CQSZACIVSA-N 293.326 3.648 0 40 CHAB Nc1ccc(OCC2CCCC2)cc1C(F)(F)F 14630284 ICFQDCUMTKHETM-UHFFFAOYSA-N 259.271 3.857 0 40 CHAB COCCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4700356 YBBBSKSSSDWBFS-UHFFFAOYSA-N 293.451 3.723 0 40 CHAB CN(C)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 6949183 HKUMCVDTPFGNTL-UHFFFAOYSA-N 289.379 3.701 0 40 CHAB CC(C)SCc1cccc(NCc2cnn(C)c2)c1 95429268 VVRAMESFNIDSJI-UHFFFAOYSA-N 275.421 3.674 0 40 CHAB CCCN1C(=O)/C(=C\c2ccc(C)o2)c2ccccc21 409133408 MHUBWFHZOZVDDH-PTNGSMBKSA-N 267.328 3.885 0 40 CHAB C[C@@H](c1cccs1)N(C)Cc1noc(-c2ccoc2)n1 69377034 FWPFQPSGPDOSOW-JTQLQIEISA-N 289.360 3.584 0 40 CHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1 22515509 PTUSYXGADVSRPY-QGZVFWFLSA-N 297.398 3.777 0 40 CHAB CC[C@@H](C)c1nnc(-c2cnc3onc(C(C)C)c3c2)o1 71890720 KOERXFXCQZQLOI-SECBINFHSA-N 286.335 3.910 0 40 CHAB CN(Cc1ccccc1NC(=O)C1CC1)C1CCCCC1 69526064 PADVVONFSTVHBS-UHFFFAOYSA-N 286.419 3.800 0 40 CHAB COCCCCC(=O)N(C)c1cc(Cl)cc(Cl)c1 71904486 XLBXKKLPSNJURC-UHFFFAOYSA-N 290.190 3.773 0 40 CHAB CC[C@@H](NC(=O)c1ccncc1)c1ccc(Cl)cc1 8734163 DTLXSTXSSXNZEC-CQSZACIVSA-N 274.751 3.616 0 40 CHAB CC(C)=CCC[C@H](C)N[C@@H]1CCO[C@@]2(CCSC2)C1 110704174 HXNWWUFIHQQJDH-XHSDSOJGSA-N 283.481 3.766 0 40 CHAB Cc1ccc([S@](=O)Cc2cc(C)nc3ccccc23)nc1 83079748 JGNXIGIREYWYMZ-NRFANRHFSA-N 296.395 3.554 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C=C[C@@]43C)[C@@H]1CCC2=O 65739644 DYMROBVXGSLPAY-HLUDHZFRSA-N 288.431 3.735 0 40 CHAB in-vitro CCCN1C(=O)S/C(=C/c2c(F)cccc2Cl)C1=O 409238382 ZEGPTKUVHWZJPU-YRNVUSSQSA-N 299.754 3.925 0 40 CHAB Cc1ccc(N2N=C(C(=O)O)C[C@@H]2c2ccccc2)cc1C 71979040 JHQFFAXWCOHDGJ-QGZVFWFLSA-N 294.354 3.695 0 40 CHAB Cc1cc(C(=O)C2CCC2)ccc1Br 122147971 OFCPNEXBPCVUFP-UHFFFAOYSA-N 253.139 3.740 0 40 CHAB Nc1ncnc2oc(-c3ccccc3)c(-c3ccco3)c12 219344990 OMVZPOMZRYBPDQ-UHFFFAOYSA-N 277.283 3.732 0 40 CHAB CCS[C@@H]1CC[C@@H](NC(=O)Nc2cccnc2Cl)C1 75541437 UHYRHLFBFLJEFD-NXEZZACHSA-N 299.827 3.531 0 40 CHAB COc1ccccc1CN(C)C(=O)CCc1ccc(C)cc1 44841834 MDYQWYLVRVGNSG-UHFFFAOYSA-N 297.398 3.595 0 40 CHAB Cc1ccc(C)c(Sc2cc(Cl)ncn2)c1 44842055 OUADDMPSQDIHJR-UHFFFAOYSA-N 250.754 3.898 0 40 CHAB CC(C)c1cc(Cl)ccc1OC1CCNCC1 42775174 RUBTVDJRMGMCQW-UHFFFAOYSA-N 253.773 3.594 0 40 CHAB CCOC(=O)c1cccc(OCc2ccccc2C)c1 43503608 NTLQOPWIPVQYJN-UHFFFAOYSA-N 270.328 3.751 0 40 CHAB Cc1ccc(CCC(=O)N(C)c2ccccc2)cc1C 224503806 SETUCUAGNRVWOP-UHFFFAOYSA-N 267.372 3.899 0 40 CHAB Cc1ccc(S[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1 225055022 QOCVFSVUGLQJIO-HNNXBMFYSA-N 290.359 3.922 0 40 CHAB Cc1occc1C(=O)Nc1ccc(F)cc1NC1CC1 96469117 HJKNIWUGTNMGOI-UHFFFAOYSA-N 274.295 3.554 0 40 CHAB Cc1c(C(C)C)[nH]c2c(Br)cccc2c1=O 685938130 KGNFEIGYKNFZHP-UHFFFAOYSA-N 280.165 3.722 0 40 CHAB CC(C)(C)c1ccc(C(=O)CSc2nncs2)cc1 60385586 ATNNAOUCIVSHAH-UHFFFAOYSA-N 292.429 3.811 0 40 CHAB CCOc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 5558656 JPOQZQBWWBYERH-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB COc1c(C)cccc1C(=O)Nc1ccccc1C 14258122 KLKVTBKVSLRDKB-UHFFFAOYSA-N 255.317 3.564 0 40 CHAB CC(C)CN[C@H](C)c1ccccc1Br 19883075 DFMFZIVIWUYHPF-SNVBAGLBSA-N 256.187 3.756 0 40 CHAB Oc1cccc(CNc2cccc3cccnc23)c1 19903726 GITKOBMDTPUIFX-UHFFFAOYSA-N 250.301 3.553 0 40 CHAB in-vitro Cc1ccc(Cl)c2sc(NC(=O)C3CC3)nc12 2713934 KCBDEZMRMNIUSG-UHFFFAOYSA-N 266.753 3.607 0 40 CHAB CN(Cc1ccccc1)C(=O)Nc1c[nH]c2ccccc12 5299780 KJYWDXDPGKSFGL-UHFFFAOYSA-N 279.343 3.832 0 40 CHAB COc1ccc(C)cc1NC(=O)c1cc2nc(C)ccc2o1 8793886 XSOOWIXNKFMRRJ-UHFFFAOYSA-N 296.326 3.706 0 40 CHAB CCC(=O)c1ccc(OC(F)(F)C(F)F)cc1 575242732 FUBRPLQCYPTKEB-UHFFFAOYSA-N 250.191 3.516 0 40 CHAB CCc1ccccc1N[C@@H]1OC(=O)c2ccccc21 91703 VDQZLARXLUFPKI-OAHLLOKOSA-N 253.301 3.530 0 40 CHAB CC[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl 20557459 BZASFESHTCFZEO-LURJTMIESA-N 252.667 3.964 0 40 CHAB Cc1ccc(SCc2ccccc2C(=O)O)cc1 344468 WSZOEEFMPMVJTD-UHFFFAOYSA-N 258.342 3.986 0 40 CHAB Brc1ccc(-c2noc(-c3ccco3)n2)cc1 516048 WYPYQLIMWFPTBW-UHFFFAOYSA-N 291.104 3.759 0 40 CHAB CC[C@]1(C)Nc2ccccc2C(=O)N1c1ccc(OC)cc1 88215 KACYNOZRMDSDJD-GOSISDBHSA-N 296.370 3.894 0 40 CHAB CCc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 370731 CCRKZGDTUTWLSZ-AWEZNQCLSA-N 283.371 3.963 0 40 CHAB CCN(CC)c1ccc2c(c1)C(=O)c1ccccc1-2 394656 GAHRNNJNTXOUGL-UHFFFAOYSA-N 251.329 3.744 0 40 CHAB FC(F)=C(F)CCSc1ncn(Cc2ccccc2)n1 1394192 ZUTOHUKVKDXYCH-UHFFFAOYSA-N 299.321 3.886 0 40 CHAB Cc1cc(-c2nc3ccc(F)cc3s2)ccc1N 1862882 WKAIATUUHWQMHK-UHFFFAOYSA-N 258.321 3.993 0 40 CHAB CCOC(=O)c1c(Cc2ccc(Cl)cc2)c[nH]c1C 2707141 MHMPPZKIXAWTSO-UHFFFAOYSA-N 277.751 3.744 0 40 CHAB Cc1ccc(C)c(C(=O)COc2ncnc3sccc23)c1 3532955 DUXAZONBFPQTKG-UHFFFAOYSA-N 298.367 3.570 0 40 CHAB O=C(Nc1cccc(F)c1)c1ccc(OC(F)F)cc1 3548375 QJWFZOFJGSGMMJ-UHFFFAOYSA-N 281.233 3.679 0 40 CHAB COc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1O 4003886 XXHVBSAGSCILQX-VMPITWQZSA-N 293.322 3.825 0 40 CHAB biogenic Cc1ccc2[nH]c(CCC(=O)Nc3ccccc3F)nc2c1 4999428 AEDNOAISEZRPHM-UHFFFAOYSA-N 297.333 3.582 0 40 CHAB CC(C)OCCCNc1ncnc2c1oc1ccccc12 5186586 IUWLHQOUXVUULL-UHFFFAOYSA-N 285.347 3.603 0 40 CHAB CCc1ccccc1NC(=S)NC1CCCCC1 5549455 VBDCKOGKFCNRHH-UHFFFAOYSA-N 262.422 3.868 0 40 CHAB C[C@H](NC(=O)c1ccccc1)c1cccc(Cl)c1 6335743 DTNNIIHWRJIEMA-NSHDSACASA-N 259.736 3.831 0 40 CHAB O=C(NC1CCCC1)c1cc(C2CC2)nc2ccccc12 8076238 AHDKHMOFGGNMHR-UHFFFAOYSA-N 280.371 3.785 0 40 CHAB O=c1cc(CSc2ccccc2)[nH]c2ccc(F)cc12 8619626 UPFWSADDSKVOHD-UHFFFAOYSA-N 285.343 3.960 0 40 CHAB COc1cccc(C=O)c1Nc1ccc(Cl)cc1 8732591 IPVUSWQIMKURTA-UHFFFAOYSA-N 261.708 3.905 0 40 CHAB Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccsc1 12739564 WGRDYZIWKFIWFO-CYBMUJFWSA-N 288.416 3.516 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 13140812 WIXSTAWEGLXQHB-UHFFFAOYSA-N 285.221 3.739 0 40 CHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2C)c1 13673435 YLQCZMGWYFLAHZ-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB O=C(O)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 16429695 RKFQXPZCXWRHGF-UHFFFAOYSA-N 273.675 3.846 0 40 CHAB Cc1ccc(C)c(CC(=O)N2c3ccccc3C[C@@H]2C)c1 20492781 YYWXFAKEKHKGKK-HNNXBMFYSA-N 279.383 3.824 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1 22534103 MMHJHRBDYVSGNI-CYBMUJFWSA-N 269.344 3.655 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2nnc(C(C)C)s2)C1(C)C 26601281 VGSJKDUSHOPWAZ-GHMZBOCLSA-N 293.436 3.838 0 40 CHAB C/C=C/C=C/C(=O)NCc1csc(-c2ccccc2)n1 26785944 SNYUCUBMRLPUSY-XPQLPGEHSA-N 284.384 3.559 0 40 CHAB COc1ccc(-c2cnc3n2-c2ccccc2CC3)cc1 27526749 XFSFXMKKVCGPIM-UHFFFAOYSA-N 276.339 3.647 0 40 CHAB CCOC(=O)Cc1c(Br)oc2cc(C)ccc12 27587371 OLAHIPZSMXAAGM-UHFFFAOYSA-N 297.148 3.609 0 40 CHAB C[C@H](N(C)C(=O)c1ccc(Br)o1)C(C)(C)C 32788148 PFBDUFOZRAYNMG-QMMMGPOBSA-N 288.185 3.549 0 40 CHAB CN(Cc1cccs1)C(=O)CCc1ccccc1Cl 40160502 NSUOPIOQYRQXEO-UHFFFAOYSA-N 293.819 3.993 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(C)C)cn1 48332590 JKKGVAOZZIGYFE-CQSZACIVSA-N 298.386 3.668 0 40 CHAB Cc1ccc(C(=O)N2CC[C@H](C)c3ccccc32)c(C)n1 55341831 IOPYCWRJHCPFFT-LBPRGKRZSA-N 280.371 3.852 0 40 CHAB CC(C)OC(=O)c1ccc(Br)c(Cl)c1 57351520 WKFNPJPVSNWQOB-UHFFFAOYSA-N 277.545 3.668 0 40 CHAB CC(=O)OCCCCSc1nc2ccccc2s1 58378005 AUDYSUHXAHHSEJ-UHFFFAOYSA-N 281.402 3.732 0 40 CHAB Cc1noc(C)c1NC(=O)N(C)[C@@H](C)c1ccccc1 60382072 ZJFDZDDESAUPRA-NSHDSACASA-N 273.336 3.516 0 40 CHAB CSc1ccc(CN2CCn3cccc3[C@@H]2C)cc1 65529955 KBJDNSROGWWJBC-ZDUSSCGKSA-N 272.417 3.787 0 40 CHAB CN(Cc1cccs1)C(=O)N[C@H]1CCc2ccccc21 65589063 OUNSJWONAWKKPS-HNNXBMFYSA-N 286.400 3.577 0 40 CHAB Cc1ccc(-c2cc(NC(=O)CC(C)(C)C)[nH]n2)s1 72278464 UFFDMKJTPVAHAG-UHFFFAOYSA-N 277.393 3.821 0 40 CHAB Clc1ccccc1Cc1cccc([C@H]2CCCNC2)n1 72343732 LRBXEBVGTQGRPW-AWEZNQCLSA-N 286.806 3.793 0 40 CHAB CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1N(C)C 75110794 CWFZKCSYRXOHIT-AWEZNQCLSA-N 292.423 3.532 0 40 CHAB CC(=O)c1ccccc1NCc1cnn(-c2ccccc2)c1 78432553 MIEWTGKKALBZFP-UHFFFAOYSA-N 291.354 3.687 0 40 CHAB CCOC(=O)c1cnc(-c2ccc(Cl)cc2)s1 82046680 MSUPOBBAHYDCLP-UHFFFAOYSA-N 267.737 3.640 0 40 CHAB O=C(Nc1ccc(O)cc1Cl)Oc1ccccc1 85205110 LBDLNHLYEKFAHH-UHFFFAOYSA-N 263.680 3.657 0 40 CHAB in-vitro COC(C)(C)C[C@@H](C)N[C@H](C)c1cn(C(C)(C)C)nc1C 96478583 DOJVUYFSPSVFFG-CHWSQXEVSA-N 295.471 3.801 0 40 CHAB CO[C@@H](C)c1cccc(N[C@@H](C)C2CCN(C)CC2)c1 97045954 DPSWZMCJXIQDMK-KBPBESRZSA-N 276.424 3.536 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]c2ccccc12 98181563 USXAVHMFDXOJPO-UHFFFAOYSA-N 294.398 3.867 0 40 CHAB COc1cc2c(Cl)c(Br)cnc2cc1F 157025113 FUSGMQSVPFMSAW-UHFFFAOYSA-N 290.519 3.798 0 40 CHAB O=C(O)[C@H](CCCN1CCCCC1)c1cccc(Cl)c1 169805962 MYTBLCSYYWKMOA-OAHLLOKOSA-N 295.810 3.774 0 40 CHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)C 224123548 SCURFMOGUGZMGE-INIZCTEOSA-N 289.419 3.638 0 40 CHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1cccs1 253473837 ZCQQAZFFVRQALC-LLVKDONJSA-N 285.368 3.855 0 40 CHAB Cc1cncc(C2CCN(Cc3sccc3C)CC2)n1 257305555 SQNIDESPSGZXFR-UHFFFAOYSA-N 287.432 3.535 0 40 CHAB CCOc1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260658787 KPHHIKZKAGKNGZ-SLEUVZQESA-N 290.432 3.560 0 40 CHAB O=C(NCc1ccc(-c2ccoc2)cc1)[C@H]1CC=CCC1 390832302 YNEGYCRJSRDQTE-INIZCTEOSA-N 281.355 3.919 0 40 CHAB COc1ccc2oc(C(=O)Nc3ccccc3S)cc2c1 409187189 NDXWPNRHBQEJFC-UHFFFAOYSA-N 299.351 3.982 0 40 CHAB c1ccc2c(c1)C[C@H]1OC(c3nccc4ccccc34)=N[C@@H]21 1911918301 NCKOPXFDULSZAA-SJORKVTESA-N 286.334 3.678 0 40 CHAB Cc1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1C 365592 BFIXCLUMLWKRBL-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB Cc1ccc2c(c1)C(=O)N(c1cccc(Cl)c1C)C2=O 482995 NEYCDLVHWWOJKL-UHFFFAOYSA-N 285.730 3.757 0 40 CHAB CC1=CC[C@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3[C@H]2C1 519102 WWIMATJEWPNNPT-VKJFTORMSA-N 292.382 3.580 0 40 CHAB CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)O 37653648 ITEGDFSRLXAEGQ-LLVKDONJSA-N 285.181 3.739 0 40 CHAB O=C(Nc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 107327695 FIMBDHQRJXSSRF-OUJBWJOFSA-N 294.192 3.824 0 40 CHAB CCCC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1 2329723 MRPWMJUQIHSLRT-OCCSQVGLSA-N 277.364 3.542 0 40 CHAB COc1ccc2cc(CNC(=O)c3ccoc3C)ccc2c1 11125435 ODHFYUIXYCMZSL-UHFFFAOYSA-N 295.338 3.680 0 40 CHAB CCOc1ccccc1C(=O)CCCCCCC(=O)O 2579972 UMGLFIMBYJUUAJ-UHFFFAOYSA-N 278.348 3.693 0 40 CHAB Cc1cccc2sc(NC(=O)CC[C@H]3CCCO3)nc12 48274291 IGIPJYSFVGHQGJ-LLVKDONJSA-N 290.388 3.502 0 40 CHAB O=C(/C=C/c1cccs1)NCC1(c2ccccc2)CCC1 10221350 OGEVMPULEBZASW-MDZDMXLPSA-N 297.423 3.999 0 40 CHAB CCOc1ccc(NC(=O)CCc2ccc(C)cc2)cc1 10433856 FXRGOFJIUASSKQ-UHFFFAOYSA-N 283.371 3.965 0 40 CHAB CCOc1ccccc1C(=O)N[C@H](C)c1ccc(F)cc1 3342215 APFIDZMXVQQQSY-GFCCVEGCSA-N 287.334 3.715 0 40 CHAB CCc1ccc2c(c1)c(C)c(C(=O)NCc1ccco1)n2C 9264132 IACYFZFMKHQLGY-UHFFFAOYSA-N 296.370 3.572 0 40 CHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)C1CCCC1 5529429 OOPCWYONVDIKJS-NSHDSACASA-N 261.340 3.684 0 40 CHAB c1ccc2c(OCC[C@H]3CCCNC3)cccc2c1 14632377 XDZAFYJOKHSMME-CQSZACIVSA-N 255.361 3.608 0 40 CHAB CC(C)(C)c1ccc([C@H]2NC(=O)c3ccccc3O2)cc1 4811990 LKNDCUAXXULMKI-KRWDZBQOSA-N 281.355 3.805 0 40 CHAB N[C@H](Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 82434324 DKEUCALWXMZEBF-AWDGRILASA-N 255.405 3.773 0 40 CHAB Cc1ccc(-c2csc(-c3nccn3C)n2)cc1C 95462127 ZVBHCDARCRXWPD-UHFFFAOYSA-N 269.373 3.827 0 40 CHAB CC[C@H](N[C@H](C)c1nnc(C)o1)c1ccc(Cl)cc1 95984392 WJZNOUVNHVWRKE-RNCFNFMXSA-N 279.771 3.833 0 40 CHAB C[C@H](C1CC1)n1nccc1NCc1cccc2[nH]ccc12 95939049 LUJYVPRQFDMOFA-GFCCVEGCSA-N 280.375 3.948 0 40 CHAB CCO[C@@H](C)c1noc(C2(c3ccccc3)CCC2)n1 89984960 JDKUGHAGEUJWTG-LBPRGKRZSA-N 272.348 3.637 0 40 CHAB Cc1cc(Br)cc(C)c1C(=O)C(F)F 306249852 RHLKBCDRHOLXSF-UHFFFAOYSA-N 263.081 3.514 0 40 CHAB Cc1ccc(CN(C)C(=O)/C=C/c2ccccc2)cc1 20482214 AIBBAMSAURSGMA-OUKQBFOZSA-N 265.356 3.667 0 40 CHAB COc1cccc(CCCc2ccccc2)c1C(=O)O 35973499 BSUOCTGVJWRCSW-UHFFFAOYSA-N 270.328 3.569 0 40 CHAB CC(C)Oc1ccc(CNC(=O)CCc2ccccc2)cc1 36559413 WRANVNBZZUQCMJ-UHFFFAOYSA-N 297.398 3.723 0 40 CHAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(=S)[nH]c1 72217008 JRLBWKNSACJYBD-CQSZACIVSA-N 284.384 3.721 0 40 CHAB CCN(CC)c1ccc([C@@H]2CCCN2CC(C)C)cn1 72212839 LEULWFVPQUYQBN-INIZCTEOSA-N 275.440 3.721 0 40 CHAB CSc1ccc([C@@H]2CCCN2CC(C)C)cn1 72216885 GUVOPQBEKLDFGV-ZDUSSCGKSA-N 250.411 3.596 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)C2 34389107 DVMAUGGKVWJBDV-SRVCANOKSA-N 272.388 3.609 0 40 CHAB Cc1nccc([C@@H]2CCCCN2Cc2ccccc2F)n1 72384964 YVBIWWMAEVBZFF-KRWDZBQOSA-N 285.366 3.651 0 40 CHAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCCC1 44675576 IJMCZWGQYRQDDU-UHFFFAOYSA-N 271.282 3.512 0 40 CHAB Nc1nc(-c2sc3cccc(Cl)c3c2Cl)n[nH]1 40227602 OLSRFCIPXQLSHR-UHFFFAOYSA-N 285.159 3.575 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)Cc1ccc(C)c(C)c1 136994593 QSQOVBHFMOBEDN-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB C[C@@H]1CCCCN1Cc1cc(-c2cccs2)on1 48368138 QHCHMJLBRGXABV-LLVKDONJSA-N 262.378 3.778 0 40 CHAB Cc1c(C(C)C)[nH]c2ccc(C(F)(F)F)cc2c1=O 685938787 YBWQBBSMZYINJQ-UHFFFAOYSA-N 269.266 3.979 0 40 CHAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 28628397 ZUEJGAMOGANUBX-RKDXNWHRSA-N 277.311 3.599 0 40 CHAB FC(F)(F)c1cc2cccc(Br)c2[nH]1 76699071 UNHJZTIFFYCZJL-UHFFFAOYSA-N 264.044 3.949 0 40 CHAB COc1cc(Br)c2oc(C(F)(F)F)nc2c1 169805245 GXDRIOMGIOQIPS-UHFFFAOYSA-N 296.042 3.618 0 40 CHAB COc1c(Br)cc(C(C)=O)cc1C(F)(F)F 97439007 WDAATTCZJGQTGH-UHFFFAOYSA-N 297.070 3.679 0 40 CHAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)O)(C4)C2)C3)cc1 100018247 WFABACNPVFIEPX-AGCBMJJTSA-N 286.371 3.618 0 40 CHAB CCOC(=O)[C@](C)(O)C1(Cl)CCC(C(C)(C)C)CC1 5217990 FECSNLKPGNKDFF-WPBUFGDCSA-N 290.831 3.514 0 40 CHAB Cc1cc2n(n1)S[C@@H](Nc1cccc3ccccc13)N2 13121710 XEKHPLXJQNLFTE-HNNXBMFYSA-N 282.372 3.662 0 40 CHAB O=c1[nH]c2ccccc2nc1-c1cccc2ccccc12 13409612 GVKKNCULWNXEJV-UHFFFAOYSA-N 272.307 3.743 0 40 CHAB COc1ccc(/C=C\Cc2cc3c(cc2OC)OCO3)cc1 17175602 INUYZGCKMARQIZ-ARJAWSKDSA-N 298.338 3.688 0 40 CHAB CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC 32202813 MQYNKBGLFNKJPL-CYBMUJFWSA-N 292.375 3.846 0 40 CHAB CC(=O)c1cccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 103344268 OPEIEMOYPVILBT-AEGPPILISA-N 271.360 3.654 0 40 CHAB CC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 6159093 LPHLTXDENVFIFV-UHFFFAOYSA-N 272.279 3.672 0 40 CHAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCC1 32769598 GCTUWFFSZZYXKN-UHFFFAOYSA-N 259.349 3.747 0 40 CHAB Fc1ccc(CSc2ccc(-c3cccnc3)nn2)cc1 4358016 RRGJJJVUGSMOSB-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB O=C(CCC1CCCCC1)N1CCc2sccc2C1 40034413 NWVHHENCEKBVQQ-UHFFFAOYSA-N 277.433 3.993 0 40 CHAB C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 32978369 RRFBOSYOUDJSBL-RDTXWAMCSA-N 295.382 3.710 0 40 CHAB Cc1ccc(C(=O)Nc2noc(-c3ccc(C)cc3)n2)cc1 21800460 JNBOLLIVXFSSOA-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB CCOc1ccc(NC(=O)CSc2ccccc2)cc1 578061 HEFNKFQNLPOJCO-UHFFFAOYSA-N 287.384 3.816 0 40 CHAB ClC1(Cl)C[C@@H]1CSc1nnc(-c2ccco2)o1 804766 QVIMPJSLNGSRGE-ZCFIWIBFSA-N 291.159 3.616 0 40 CHAB CCC[C@H](C)c1c(O)nc(S[C@@H](C)CC)n(CC)c1=O 23115572 ZECQTMNMLSFBRF-QWRGUYRKSA-N 298.452 3.763 0 40 CHAB O=C(NC(=O)c1ccc(Cl)cc1)Sc1ccccc1 108062 MGRNUGAIMUEEHN-UHFFFAOYSA-N 291.759 3.982 0 40 CHAB c1ccc2[nH]c(Cc3nc4ccccc4s3)nc2c1 3190863 JLURXEZDKXSDTJ-UHFFFAOYSA-N 265.341 3.763 0 40 CHAB CN(C)C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(Cl)cc1 3172189 ANDVCSYZBRZFJU-DZGCQCFKSA-N 295.810 3.617 0 40 CHAB Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccccc1F 24894823 GPDPTCRMDCQMJK-OAHLLOKOSA-N 287.338 3.533 0 40 CHAB Cc1cncc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 79321928 CTSRQNBMUPWTOX-GFCCVEGCSA-N 280.327 3.627 0 40 CHAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(Cl)c1 6321561 GYHDHQRBABUUEI-TUAOUCFPSA-N 278.783 3.898 0 40 CHAB Nc1ccccc1NC(=O)Nc1cccc(Cl)c1 6402708 IREZRXXMQFINIW-UHFFFAOYSA-N 261.712 3.566 0 40 CHAB O=C(Sc1nc2ccccc2[nH]1)c1cccs1 108005460 UQHSMWPAQZFIAV-UHFFFAOYSA-N 260.343 3.557 0 40 CHAB Cc1ccccc1NC(=O)CCc1ccccc1F 8266853 JUSZEFCFRJHLNS-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB Cc1cc(C)cc([C@@H](C)NCCc2nc(C(C)C)no2)c1 89556062 FIUKGPAPFGSGTC-CQSZACIVSA-N 287.407 3.703 0 40 CHAB CCOc1ccccc1CSc1nncn1C(C)C 36397118 BGMDQRLPCHEHSZ-UHFFFAOYSA-N 277.393 3.550 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1cccc(OC)c1 2378905 GWNBPNGCDABUMR-UHFFFAOYSA-N 292.375 3.782 0 40 CHAB O=C(Nc1ccccc1Cl)c1ccc(-n2ccnc2)cc1 45762909 UQTZPEPPSYAKSR-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB c1ccc2c3c(c(CN4CCCCC4)cc2c1)COC3 2591948 YXMKGAKVMNVSIV-UHFFFAOYSA-N 267.372 3.856 0 40 CHAB O=C(CSc1ncccn1)c1ccc(Cl)cc1Cl 2570754 NNJHGBUOGZRJEM-UHFFFAOYSA-N 299.182 3.758 0 40 CHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc(Cl)cc1 2695389 PRBSYTHVZHLWMA-SNVBAGLBSA-N 294.709 3.852 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)c1cccnc1Cl 37977965 LESINHDQQQKWQW-VIFPVBQESA-N 292.791 3.556 0 40 CHAB Cc1ccccc1CNC(=O)c1cc2c(s1)CCCC2 5089786 MLHBNEQSMNNZEF-UHFFFAOYSA-N 285.412 3.865 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)N(C(C)C)C(C)C 6254071 WGKZJWDDMNRIRG-UHFFFAOYSA-N 286.375 3.909 0 40 CHAB Cc1cc2c(Nc3cccc(F)c3)ncnc2s1 4384147 AIASYIVDYSPERI-UHFFFAOYSA-N 259.309 3.882 0 40 CHAB CC(=O)Nc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1 5378329 ZJIDCAOFDMDDIC-DHZHZOJOSA-N 277.327 3.692 0 40 CHAB C[C@@H]1CCCC[C@@H]1N1CCN(C[C@H]2CC=CCC2)CC1 19900111 ADQAWJJCVOTDOE-SQNIBIBYSA-N 276.468 3.539 0 40 CHAB CC(=O)c1cccc(NCC(=O)Nc2c(C)cccc2C)c1 7957429 IAVKDTNOJJSVEK-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB Fc1ccc2ncc3c(-c4ccccc4)n[nH]c3c2c1 8607003 XXWJURBJXPNIIW-UHFFFAOYSA-N 263.275 3.917 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)N1CCc2ccccc21 30872799 WNYSMHJSXRCTPD-AWEZNQCLSA-N 295.382 3.606 0 40 CHAB Nc1nc2ccc(-c3ccc4nc(N)sc4c3)cc2s1 366006 HLSKHLKDERDCLH-UHFFFAOYSA-N 298.396 3.737 0 40 CHAB biogenic CC(=O)OC[C@@]12COC3(CCCC3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 5529064 DNFFPEBVRBASNE-HDEZJCGLSA-N 292.419 3.727 0 40 CHAB biogenic O=C(Nc1ccccc1)Nc1cccc2ncccc12 74904636 DCANGHDOENKROF-UHFFFAOYSA-N 263.300 3.879 0 40 CHAB c1ccc(CN2CCC3(CC2)Cc2ccccc2O3)cc1 39275823 VWJFZEZXAHDEEL-UHFFFAOYSA-N 279.383 3.656 0 40 CHAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC=CCC1 32930666 LORLNTPBFBXZME-JSGCOSHPSA-N 277.795 3.744 0 40 CHAB C[C@@H](c1ccccc1F)[S@@](=O)Cc1cccc(F)c1 78556124 VANOBFVQWXGNFJ-JEOXALJRSA-N 280.339 3.975 0 40 CHAB C[C@H](SCc1ccco1)c1ccc(S(C)(=O)=O)cc1 189770674 LKBSMNOPEVBRNV-NSHDSACASA-N 296.413 3.678 0 40 CHAB COc1ccc(Cl)cc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 40096186 JWCZPXWBRKOBNO-QWRGUYRKSA-N 296.798 3.858 0 40 CHAB Cc1cccc2c1N[C@@H](c1cnc(C3CCC3)s1)NC2=O 89688986 LWFOOLDCBQVAGT-CQSZACIVSA-N 299.399 3.573 0 40 CHAB CCOC(=O)CSc1ccnc2cc(Cl)ccc12 80444041 PJHUMCXVZGTTBS-UHFFFAOYSA-N 281.764 3.543 0 40 CHAB c1cnnc(SCCSC2CCCCC2)c1 252487513 HXCXTNOYYTUXEF-UHFFFAOYSA-N 254.424 3.635 0 40 CHAB CC(C)([C@@H]1CCCO1)[C@@H]1CC[C@H](C(C)(C)[C@H]2CCCO2)O1 255188833 LXSJUNVCYSIBBZ-GEEKYZPCSA-N 296.451 3.944 0 40 CHAB Cc1cc(C)c(C(=O)C(F)(F)Br)cc1C 382711972 ZJRBGPDKPKWIIY-UHFFFAOYSA-N 277.108 3.782 0 40 CHAB Cc1ccoc1C(=O)N1CCC[C@@H]1c1cccs1 52606306 ZEZAZUYROUCFNT-LLVKDONJSA-N 261.346 3.627 0 40 CHAB CC(C)(C)OC(=O)N1CCC(C(=O)c2cccs2)CC1 80498877 JILYOJKOXBLAKP-UHFFFAOYSA-N 295.404 3.578 0 40 CHAB Brc1nc2c(Br)cccc2s1 11920204 AZOZOHCZAFSZIG-UHFFFAOYSA-N 292.983 3.821 0 40 CHAB CC/C(=C/c1ccc(NC(C)=O)cc1)c1ccncc1 13284101 SWJLYNYRVAKTOA-QINSGFPZSA-N 266.344 3.991 0 40 CHAB CCn1c(C)nnc1SCc1ccc(Cl)cc1 13989559 HYZBXNVKZSDWMP-UHFFFAOYSA-N 267.785 3.552 0 40 CHAB O=C(OCc1nc2ccccc2s1)C1CCCCC1 3392194 QBOWBIUWVDJGAH-UHFFFAOYSA-N 275.373 3.920 0 40 CHAB Cc1ccccc1C(=O)Nc1nc2c(F)cccc2s1 4325457 YUISSDMBIDHCHA-UHFFFAOYSA-N 286.331 3.996 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCc2ccccc2)o1 40012156 DVMOMKCRNOGCBR-PBHICJAKSA-N 297.398 3.695 0 40 CHAB CCC(=O)Nc1cccc(NC(=O)[C@H]2CC=CCC2)c1C 31113846 LPZBTNHRYIHQQS-ZDUSSCGKSA-N 286.375 3.638 0 40 CHAB Cc1nc(NCC(C)C)c2c3c(sc2n1)CCCC3 125832 BOAJRHRJDWSJOX-UHFFFAOYSA-N 275.421 3.946 0 40 CHAB C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1F 32735874 ULOPAHKPKNSJLU-CQSZACIVSA-N 295.361 3.862 0 40 CHAB Cc1nc(NC[C@H]2CCCO2)sc1-c1ccccc1 32666073 NBQYWEYNWCHHRF-CYBMUJFWSA-N 274.389 3.709 0 40 CHAB COC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1 52407016 ZLOYCRKQNAGCLZ-UHFFFAOYSA-N 284.271 3.798 0 40 CHAB COc1ccc2c(c1)CN(c1cc(C)cc(C)c1)CO2 554884 YRSNHYJDIDORFL-UHFFFAOYSA-N 269.344 3.669 0 40 CHAB CCCN(CC)[C@@H](CC)C(=O)Nc1c(C)cccc1C 276 VTUSIVBDOCDNHS-HNNXBMFYSA-N 276.424 3.752 0 40 CHAB world S=C(Nc1ccc(Cl)cc1)NC1CCCCC1 98567 ASHRQSXKUANWOC-UHFFFAOYSA-N 268.813 3.959 0 40 CHAB Clc1cccc(NCc2ccc3c(c2)OCO3)c1 359461 WOEVWAHRPRCCIJ-UHFFFAOYSA-N 261.708 3.681 0 40 CHAB C[C@@H]1CC(C)(C)N(C(=O)C(F)(F)F)c2ccccc21 377665 TXKWZNBVSYFMJT-SECBINFHSA-N 271.282 3.868 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C 451846 KZTSEDQDZCERJZ-QMMMGPOBSA-N 290.190 3.675 0 40 CHAB Cc1ccn2cc(CSc3nc4ccccc4[nH]3)nc2c1 564737 NFODUIZNTGDXCW-UHFFFAOYSA-N 294.383 3.811 0 40 CHAB CC(C)(C)CC(=O)Nc1nnc(-c2ccccc2)s1 1356181 YWZCVHBEFDSJKB-UHFFFAOYSA-N 275.377 3.580 0 40 CHAB FC(F)(F)c1cnc2c(-c3ccccc3)noc2c1 1391631 HKPBNNDXESQNLY-UHFFFAOYSA-N 264.206 3.909 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1ccc2c(c1)OCO2 2057674 XPPXRPNRDAMCJO-NSHDSACASA-N 263.337 3.570 0 40 CHAB CCCc1cc(=O)oc2cc3c(cc12)CCC(C)(C)O3 2130598 ADEBARQBQCGROP-UHFFFAOYSA-N 272.344 3.849 0 40 CHAB biogenic Cc1ccccc1C(=O)c1ccccc1CN1CCCC1 2515542 OFIXJMOLZYKWTO-UHFFFAOYSA-N 279.383 3.822 0 40 CHAB Cc1ccc(N2C(=O)C(F)(F)[C@H]2c2ccccc2)cc1 3231212 SRIZFZMBZNYAFE-CQSZACIVSA-N 273.282 3.718 0 40 CHAB CCOc1ccccc1OCC(=O)Nc1ccc(CC)cc1 3458300 SZLNWIYFGULNGT-UHFFFAOYSA-N 299.370 3.665 0 40 CHAB CCCCCCN1CCN(c2ccc(F)cc2)CC1 4054443 PMJXNJOUDBECRM-UHFFFAOYSA-N 264.388 3.528 0 40 CHAB Cc1ccccc1C(=O)Nc1nnc(SC(C)C)s1 4086590 ZPZSZPUURUWPBP-UHFFFAOYSA-N 293.417 3.599 0 40 CHAB Cc1ccc2[nH]c(C)c(CC(=O)NCc3ccccc3)c2c1 4615948 CAJFYOWOWWVUCI-UHFFFAOYSA-N 292.382 3.644 0 40 CHAB Cc1ccc2scc(N3CCCCCC3)c(=O)c2c1 5202467 MJNXZPINQOLSFJ-UHFFFAOYSA-N 273.401 3.950 0 40 CHAB COc1ccn(-c2ccc(Cl)cc2)c1SC 5393981 CPLTUGLIADGXCT-UHFFFAOYSA-N 253.754 3.861 0 40 CHAB CCOC(=O)c1c(NC(=O)CC)sc2c1CCCCC2 5428021 VGLOUWHZERCLKZ-UHFFFAOYSA-N 295.404 3.542 0 40 CHAB C[C@@H](NC(=O)CSCc1ccccc1)c1ccccc1 6267606 OBQDZTUYIBODGS-CQSZACIVSA-N 285.412 3.797 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccccc2)c1 6504381 QJPSVBLSCZWSOO-INIZCTEOSA-N 297.398 3.511 0 40 CHAB COc1ccc(SCC(=O)NC2CCCCCC2)cc1 6540053 VLQNFUXYCCNDFE-UHFFFAOYSA-N 293.432 3.626 0 40 CHAB CCc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 6561404 KUKVSHBNCMBBDX-DVOMOZLQSA-N 259.393 3.804 0 40 CHAB O=C(CCOc1ccccc1)Nc1cccc2cccnc12 6647309 QNVPTLKMAVAWQH-UHFFFAOYSA-N 292.338 3.642 0 40 CHAB CCCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1 7668735 NXNSATLCQMMAJN-UHFFFAOYSA-N 283.371 3.714 0 40 CHAB O=C(CCSCc1ccccc1)N1CCc2ccccc21 7685805 DOFISJLVFFYKPT-UHFFFAOYSA-N 297.423 3.899 0 40 CHAB CCOc1ccc(Cl)cc1C(=O)Nc1ncc(C)s1 8187926 NRGHNACKLNDDPM-UHFFFAOYSA-N 296.779 3.756 0 40 CHAB O=C(Nc1cccc(F)c1)c1cccc2cccnc12 9535704 SGIDPPMFYSBAOV-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB Cc1cccnc1NC(=O)CC12CC3CC(CC(C3)C1)C2 12543842 WMRYEUXMMNMHPV-UHFFFAOYSA-N 284.403 3.935 0 40 CHAB Cc1ccc([C@H](NC(=O)C2CC2)c2cccs2)cc1 13022642 RNQWEVFDGAMPJJ-HNNXBMFYSA-N 271.385 3.672 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)N1CCc2ccccc21 13673186 GUERGUIPRHNOQJ-AWEZNQCLSA-N 297.423 3.898 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2ncnc3c2[nH]c2ccccc23)C1 13713239 BAGPADIMSAEOGA-TXEJJXNPSA-N 280.375 3.593 0 40 CHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cccc(Br)c1 13957386 RPCLEUQDNJREQQ-PHIMTYICSA-N 296.208 3.852 0 40 CHAB Cc1ccc(CCC(=O)NCc2ccccc2)c(C)c1 14200322 XSFQYVDNXQLXEM-UHFFFAOYSA-N 267.372 3.552 0 40 CHAB CCCCCCNC(=S)Nc1ccnc(Cl)c1 16638126 JQKNYSYMPDFVDI-UHFFFAOYSA-N 271.817 3.602 0 40 CHAB CCN(Cc1ccncc1)C(=O)Nc1cccc(Cl)c1 19074622 YUQZAYHGGHLXMM-UHFFFAOYSA-N 289.766 3.789 0 40 CHAB CN(c1ccc(Br)cc1N)C1CCCCC1 19483283 IARQWECCHKTPDG-UHFFFAOYSA-N 283.213 3.800 0 40 CHAB CC(C)(C)NC(=O)c1sc2c(N)cccc2c1Cl 20134475 GYYYLZVPOYCJQM-UHFFFAOYSA-N 282.796 3.665 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1OC 22528145 LDDZDYDLOVILCI-ZDUSSCGKSA-N 299.370 3.503 0 40 CHAB Cc1ccc([C@@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 26894580 MNMSKWSDXPDXJG-UONOGXRCSA-N 296.399 3.794 0 40 CHAB COc1ccc2nc(C)c(C(=O)N3CCCCCC3)cc2c1 29688295 SZNFPZJDSZJOTF-UHFFFAOYSA-N 298.386 3.568 0 40 CHAB CC1CCC(NC(=O)CNc2ccc(Cl)cc2F)CC1 29980230 KUXVJWIDRMJQNS-UHFFFAOYSA-N 298.789 3.586 0 40 CHAB Cc1cc(C)c(NC(=O)CC[C@@H]2CCCO2)c(Cl)c1 31877037 IZBYVNJWEXOOFC-LBPRGKRZSA-N 281.783 3.855 0 40 CHAB C[C@@H](c1cccs1)N(C)C(=O)C1CCCCC1 32841972 NPHMVOIMRAOHRB-NSHDSACASA-N 251.395 3.848 0 40 CHAB Cc1ccc(C(=O)N(C)c2nc3ccccc3o2)cc1F 32906949 YSKGYGZGYBBGTI-UHFFFAOYSA-N 284.290 3.552 0 40 CHAB Nc1cc(-c2ccccc2Cl)nn1Cc1ccccc1 35276910 MFFPFPKZLSLINY-UHFFFAOYSA-N 283.762 3.834 0 40 CHAB Cn1cc(N[C@H](c2cccs2)C2CCCC2)cn1 37260135 RNEDMLUZMXPQKP-AWEZNQCLSA-N 261.394 3.825 0 40 CHAB COc1ccc2[nH]cc(C(=O)c3cccc(F)c3)c2c1 37364271 MPLHJSNZIYQKFU-UHFFFAOYSA-N 269.275 3.547 0 40 CHAB O=C(NCC1CC1)c1ccc2[nH]c3c(c2c1)CCCCC3 40080060 AFLIQLTWDJWAGP-UHFFFAOYSA-N 282.387 3.577 0 40 CHAB C[C@H](CCc1ccccc1)NC(=O)CC1CCCC1 40160459 OCFAMVUKYJQIFV-CQSZACIVSA-N 259.393 3.704 0 40 CHAB Cc1cc(Br)ccc1OCC[C@@H]1CCCCN1 42773793 SSVODZMROHYVND-ZDUSSCGKSA-N 298.224 3.669 0 40 CHAB O=C(c1ccsc1)N1CCC[C@H]1c1ccsc1 44940686 OGNIXVSBPDBQRO-LBPRGKRZSA-N 263.387 3.787 0 40 CHAB O=C(NCc1ccc2ccccc2c1)c1ccccc1 45201195 BYUNTEFPPDDBAX-UHFFFAOYSA-N 261.324 3.770 0 40 CHAB COCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C 46033212 YKSGVQNFCPBWIP-OCCSQVGLSA-N 276.380 3.533 0 40 CHAB O=C(CC1CCCC1)Nc1cc(-c2cccs2)n[nH]1 48751061 ISGYRXOIQYOTCZ-UHFFFAOYSA-N 275.377 3.657 0 40 CHAB CCOc1ccc(Oc2ncc(Cl)cc2C(=O)O)cc1 49470422 VJKFXCBYZIKRNM-UHFFFAOYSA-N 293.706 3.624 0 40 CHAB CC[C@@H](NC(=O)c1sccc1C)c1ccc(OC)cc1 69712237 QQJHPJUMYJUOFA-CQSZACIVSA-N 289.400 3.946 0 40 CHAB Cc1cnc(SCc2nc3ccccc3s2)nc1 69897238 SORKLAWUFITWOP-UHFFFAOYSA-N 273.386 3.687 0 40 CHAB Cc1cc([C@@H](C)O)cnc1SCc1ccccc1 72222409 ZKEZPFJUYNXBCW-GFCCVEGCSA-N 259.374 3.736 0 40 CHAB O=C([C@H]1CC=CCC1)N(Cc1ccccn1)Cc1ccco1 75170147 PHFZWYFXSJOTAQ-HNNXBMFYSA-N 296.370 3.560 0 40 CHAB Cc1c(N)cccc1C(=O)c1cccc2ccccc12 79907998 UUNDYGAKLVZWOA-UHFFFAOYSA-N 261.324 3.961 0 40 CHAB O=C(COc1ccccc1)c1ccc(Cl)cc1F 94821098 SVXWPPCRCKSBGB-UHFFFAOYSA-N 264.683 3.741 0 40 CHAB CC(C)(C)[C@@H](NC(=O)CCC(F)(F)F)c1ccco1 95403570 YMGOPGYYHMCIGM-NSHDSACASA-N 277.286 3.826 0 40 CHAB CC[C@@H](NCc1ncccc1C)c1cc(F)ccc1F 95422105 UXODBSHPAQCMRA-OAHLLOKOSA-N 276.330 3.909 0 40 CHAB CCc1cc(CN[C@H](C)c2cc(Cl)ccc2OC)on1 95423063 YCJXPQUSUNZGKJ-SNVBAGLBSA-N 294.782 3.750 0 40 CHAB COCc1ccccc1C(=O)OCc1sccc1C 95465817 IIQRYKYNADZRFJ-UHFFFAOYSA-N 276.357 3.560 0 40 CHAB CC(C)Cc1nnc([C@H](C)SC[C@H]2CCCCO2)o1 95965635 GKSBLJLIFXCJPX-NWDGAFQWSA-N 284.425 3.631 0 40 CHAB Cc1ncsc1CNc1nc2cc(Cl)ccc2o1 97231804 YRGZSIPQUNTKJH-UHFFFAOYSA-N 279.752 3.858 0 40 CHAB Cc1ccccc1NC(=O)[C@@]12C[C@H]3CC[C@]1(C)[C@]3(C)CO2 100700709 VEXFIHOUSZHFJY-PILAGYSTSA-N 285.387 3.529 0 40 CHAB CN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102235458 XTYIUYAVNIZXFM-NHCYSSNCSA-N 281.808 3.572 0 40 CHAB Cc1nc(CN[C@@H](C)c2ccc(Cl)cc2Cl)no1 154814634 GOIKBDCRFUAMNS-ZETCQYMHSA-N 286.162 3.536 0 40 CHAB CCC(=O)[C@H]1CCCCN1C(=O)c1oc2ccccc2c1C 185822973 LZAMLPJSPDCWCR-CQSZACIVSA-N 299.370 3.715 0 40 CHAB COc1ccc(/C=C/c2nc3ccc(N)cc3o2)cc1 226249824 VZOZQUQORVFDFU-RUDMXATFSA-N 266.300 3.589 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2cccc(N)c2)o1 226305101 YIPKPEMXLURCPQ-STQMWFEESA-N 298.386 3.932 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 253617213 CBMYJHIOYJEBSB-QDVBXKBISA-N 292.463 3.751 0 40 CHAB CC[C@H](C(=O)O)N1c2ccccc2[C@H](C)CC1(C)C 260624942 WZRFSTIICCCRQH-DGCLKSJQSA-N 261.365 3.642 0 40 CHAB O=C(O)c1cc2ccc(Br)c(F)c2s1 307433880 OKMOJIOOZTZQSB-UHFFFAOYSA-N 275.098 3.501 0 40 CHAB COc1ccc(C(=O)C2CCC2)cc1C(F)(F)F 575359937 BACVPRZVIDQTDC-UHFFFAOYSA-N 258.239 3.697 0 40 CHAB Clc1ccc2nc(N3C[C@@H]4CCC[C@H]4C3)oc2c1 1889119595 UYRIVZYJALFLLU-UWVGGRQHSA-N 262.740 3.718 0 40 CHAB CCCc1c(C)c2c(OCC)cc(OCC)cc2oc1=O 46582 PAAPJRVEKCWNCC-UHFFFAOYSA-N 290.359 3.851 0 40 CHAB CC(=O)c1cc2c(C)c(C(=O)c3ccccc3)oc2cc1O 366815 PQJFCVNRDWTZGH-UHFFFAOYSA-N 294.306 3.880 0 40 CHAB Cc1ccc(NC(=O)c2nc3ccccc3s2)cc1 479755 LRHPHKKUYBODHR-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB Clc1ccc(-c2nnc3n2CCCC3)cc1Cl 1390847 BWHCVFCKGLQHDM-UHFFFAOYSA-N 268.147 3.588 0 40 CHAB O[C@H](c1ccccc1)[C@H](CN1CCCCC1)c1ccccc1 1668858 ZJQDTSJAQWHKJT-WOJBJXKFSA-N 295.426 3.990 0 40 CHAB CC(C)OC(=O)/C(=C/c1ccco1)c1ccccc1 2239640 DLZDJHMLWNPLMS-RVDMUPIBSA-N 256.301 3.772 0 40 CHAB Fc1ccc(NC(=S)NCCCc2ccccc2)cc1 3331465 NHDPFRFAMCWDDN-UHFFFAOYSA-N 288.391 3.745 0 40 CHAB CSc1ccccc1NC(=O)c1ccc(F)cc1F 3444782 SXNVVVKEVGNNNW-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB CCC(CC)NC(=O)c1cc2ccccc2cc1OC 3451572 JQCHFMORJWTKAM-UHFFFAOYSA-N 271.360 3.767 0 40 CHAB O=C(CSc1ccccc1Cl)c1ccco1 3515764 CAIJMQVNCIGSRZ-UHFFFAOYSA-N 252.722 3.908 0 40 CHAB COc1cccc(CC(=O)Nc2cccc(Cl)c2)c1 3548349 NQDLKNWLTCKGFR-UHFFFAOYSA-N 275.735 3.530 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Br)c1 3613654 SPKGAGSONNJNFU-MFKMUULPSA-N 296.208 3.758 0 40 CHAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1CC1 5001103 OJSDKNMMYHDBNY-UHFFFAOYSA-N 292.791 3.736 0 40 CHAB CC(C)[C@@H](C)NC(=O)CSc1nc2ccccc2s1 5034701 BPNHJZMYULRSDO-SNVBAGLBSA-N 294.445 3.549 0 40 CHAB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccncc1 5612578 JKIPLXWARAQCLE-UKTHLTGXSA-N 297.745 3.589 0 40 CHAB CC[C@@H](C)c1ccc(O)c(NC(=O)COc2ccccc2)c1 5655472 PCXHJBNCZSJKAI-CYBMUJFWSA-N 299.370 3.923 0 40 CHAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc[nH]1 6550983 JFPBVSLZJMJFDL-UHFFFAOYSA-N 270.115 3.679 0 40 CHAB COc1cc(Cl)c(C(=S)N2CCCCC2)cc1OC 6627433 JHRNPOQKBMWDNB-UHFFFAOYSA-N 299.823 3.519 0 40 CHAB COc1ccc(C(=O)N[C@H](c2ccccc2)C(C)C)cc1 7924255 BLOFJUKQMXNRFE-KRWDZBQOSA-N 283.371 3.822 0 40 CHAB O=C(NCc1cccs1)c1cc2ccccc2cc1O 8156044 RPIFJHAUXVWYQM-UHFFFAOYSA-N 283.352 3.537 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 9997168 ZWQGFTLKHGUTAB-RYUDHWBXSA-N 294.826 3.565 0 40 CHAB Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)s1 20123162 CVRHOUDUEACLQT-HNNXBMFYSA-N 290.432 3.576 0 40 CHAB COC(=O)c1ccc(-c2nc3ccccc3o2)cc1Cl 20154443 MDVIJUNBQVMNSZ-UHFFFAOYSA-N 287.702 3.935 0 40 CHAB Cc1ccc(C)c(NC(=O)c2ccc3nsnc3c2)c1 21596129 DJDMZPJUNWMDBH-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB CCCCn1c([C@@H]2CCCN2C(=O)CC)nc2ccccc21 21787047 FBMZAWGPLYPUBM-INIZCTEOSA-N 299.418 3.910 0 40 CHAB CC(C)(C)c1csc(NC(=O)C2CCCC2)n1 28221377 AZWGSPFAOYWVFB-UHFFFAOYSA-N 252.383 3.569 0 40 CHAB c1ccc(-c2nc(Cn3ccnc3)nc3ccccc23)cc1 29967728 JWWSQYXWDXWLJC-UHFFFAOYSA-N 286.338 3.542 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccncc1)c1ccc(Cl)s1 33193502 NTJAEJMDOQFBFI-JYBNPQIESA-N 292.791 3.687 0 40 CHAB COc1cccc([C@@H](O)c2ccc(Br)cc2)c1 37532243 RUJMKPWOXLACAZ-AWEZNQCLSA-N 293.160 3.539 0 40 CHAB COCc1cccc(CNCc2ccc(Cl)s2)c1 37999881 PTARYFFXSQKFPP-UHFFFAOYSA-N 281.808 3.838 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Nc2cc(F)ccc2C)o1 40097790 OGFWIRXDEXSWIG-NSHDSACASA-N 276.311 3.918 0 40 CHAB Cc1cccc(CC[C@H](C)Nc2cccc(C(N)=O)c2)c1 40500488 WSLKHKYJNNUEPV-AWEZNQCLSA-N 282.387 3.527 0 40 CHAB CC1CCN(Cc2ccccc2Br)CC1 42205952 LUIZXGCIQMOWCQ-UHFFFAOYSA-N 268.198 3.681 0 40 CHAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 48841904 ZVBSLXLAQMZHRW-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB Cc1cc([C@H]2CCCN2Cc2cccc(F)c2F)on1 52007446 YDICJOGHABYNFL-CYBMUJFWSA-N 278.302 3.598 0 40 CHAB CC(C)CC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 71909287 PJMWDCQFCXDULD-FQEVSTJZSA-N 295.448 3.718 0 40 CHAB CCN(C)c1ccc([C@@H]2CCCCN2CC(C)C)cn1 72212738 OGMORFPQSNTMLI-INIZCTEOSA-N 275.440 3.721 0 40 CHAB CCCNc1ncccc1[C@H]1CCCCN1C(C)C 72213155 MMOCIWKHBDAZJF-OAHLLOKOSA-N 261.413 3.839 0 40 CHAB O[C@@H](CNCC1CCCCCC1)c1ccc(F)c(F)c1 75093144 VSGZFULAXLKOJC-INIZCTEOSA-N 283.362 3.558 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 82230076 QGXBDMJGAMFCBF-LXSMPZMBSA-N 290.447 3.959 0 40 CHAB biogenic Cc1noc(C)c1NC(=O)N(C1CC1)[C@@H](C)c1ccco1 86284836 SYYULDMSDZFTOU-JTQLQIEISA-N 289.335 3.642 0 40 CHAB c1coc(CN(Cc2ccco2)Cc2cnoc2C2CC2)c1 89797714 KHMJLAVDAVOGOU-UHFFFAOYSA-N 298.342 3.940 0 40 CHAB C[C@H](NCCc1ccccc1)c1cccnc1Cl 95419227 KLNUOYPEVWTLGB-LBPRGKRZSA-N 260.768 3.628 0 40 CHAB Cc1cscc1NC(=O)NCCC[C@H]1CCCCO1 95940616 FRIHICQCGNNYIE-GFCCVEGCSA-N 282.409 3.527 0 40 CHAB Cc1ccc([C@@H](CN[C@@H](C)CC(C)C)N2CCCC2)o1 97016732 YYWWDHGYCMJTQP-GOEBONIOSA-N 278.440 3.749 0 40 CHAB Cc1cccc(C)c1NC(=O)C1(c2ccc(N)cc2)CC1 158768379 QGOHVUCMYXZYMS-UHFFFAOYSA-N 280.371 3.556 0 40 CHAB CNc1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 226272018 UFDWIXDDGFQTBO-UHFFFAOYSA-N 284.315 3.554 0 40 CHAB CC[C@@H](C(=O)O)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260616154 GATFTHUXNHOUOE-MFKMUULPSA-N 279.355 3.781 0 40 CHAB O=C(NC[C@H](c1ccsc1)c1ccco1)C1CCCC1 675007855 VPYYDEFGDRADCJ-CQSZACIVSA-N 289.400 3.779 0 40 CHAB O[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccccc1F 1615140519 OPAMUFXWHSYEBC-ROUUACIJSA-N 291.410 3.526 0 40 CHAB CO[C@@H](CNc1nc2ccccc2o1)c1ccc(C)s1 1775970231 INPIBIOELRSVRR-ZDUSSCGKSA-N 288.372 3.997 0 40 CHAB Cc1ccc2nc(N3CCC(F)(F)CC3)sc2c1 1889124884 FQFVELGHKDLAAJ-UHFFFAOYSA-N 268.332 3.840 0 40 CHAB COc1ccc(OCC(=O)Nc2ccccc2C(C)C)cc1 44486 DSHCGKSNIVXSQM-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB O=C(NC(Cl)=C(Cl)Cl)Nc1ccccc1 159295 GKIQMCQAZMFGNC-UHFFFAOYSA-N 265.527 3.651 0 40 CHAB CCc1cccc(C)c1NC(=O)c1c(OC)cccc1OC 478063 AIUVETUZIWOIAT-UHFFFAOYSA-N 299.370 3.827 0 40 CHAB CC(C)CCNc1ncnc2c1[nH]c1ccccc12 541965 HOQXCWTUJBEZNQ-UHFFFAOYSA-N 254.337 3.569 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1 571756 RUVMEUUHPZNVLE-VAWYXSNFSA-N 251.329 3.955 0 40 CHAB Fc1ccc(SCc2nnsc2Cl)cc1 1391565 ADJSGXKQELUTNI-UHFFFAOYSA-N 260.746 3.623 0 40 CHAB COC(=O)c1cccc2c1Oc1ccccc1S2 1581808 HCPKCEOYLWCXQI-UHFFFAOYSA-N 258.298 3.730 0 40 CHAB CCOC(=O)CCCCCC(=O)c1cccc(F)c1F 2243640 SKSNHMWUAYOCRY-UHFFFAOYSA-N 284.302 3.661 0 40 CHAB CC[C@@H](C)[C@@H](N)c1nnc(SCc2cccc(F)c2)o1 4310152 GALYNSRAFSHBLM-BXKDBHETSA-N 295.383 3.547 0 40 CHAB O=C(NCc1cccs1)c1cc2cc(Cl)ccc2[nH]1 4699779 UGYITAYLFPYYTE-UHFFFAOYSA-N 290.775 3.813 0 40 CHAB CC(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 5677697 OCCFVYNHTHUTDX-UHFFFAOYSA-N 287.746 3.724 0 40 CHAB CS[C@H]1N=C(c2ccccc2)NC2=C1CCCC2 5919110 DKWPIOCXAMJVOY-OAHLLOKOSA-N 258.390 3.554 0 40 CHAB CCC(=O)Nc1cccc(Cl)c1N1CCCCC1 6245841 CQYRMLKFLCOEID-UHFFFAOYSA-N 266.772 3.679 0 40 CHAB CCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 6657193 KYAKVLGITHSIHI-JLHYYAGUSA-N 291.372 3.532 0 40 CHAB O=C(/C=C/Sc1ccccc1)Nc1ccc2c(c1)OCO2 7069199 PGNWVAYCGMHPGN-CMDGGOBGSA-N 299.351 3.660 0 40 CHAB COc1ccc(C)cc1[C@H](C)NC(=O)C[C@H]1C=CCC1 8130119 CMUMYUXKSLACCH-KBPBESRZSA-N 273.376 3.537 0 40 CHAB Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)C1CC1 8185013 VATHTZZQMIQCTF-MRVPVSSYSA-N 292.429 3.708 0 40 CHAB C/C=C/C=C/C(=O)Nc1ccc2nc(C)sc2c1 8351783 KFLQKFKMZVMKCQ-VNKDHWASSA-N 258.346 3.676 0 40 CHAB CCn1cc(/C=C/c2cc[n+](C)cc2)c2ccc(OC)cc21 9343729 UVCKPJHILSLTGA-UHFFFAOYSA-N 293.390 3.665 0 40 CHAB COCc1cccc(C(=O)Nc2ccc(SC)cc2)c1 9455704 HJPUKBGEODCAQE-UHFFFAOYSA-N 287.384 3.807 0 40 CHAB O=C(O)c1cccnc1Nc1ccc(C(F)(F)F)cc1 13090514 IFNHLTQEFXYJCI-UHFFFAOYSA-N 282.221 3.542 0 40 CHAB CCC(C)(C)NC(=S)Nc1ccc(F)c(Cl)c1 13823547 ACWMVDPDUWWDOF-UHFFFAOYSA-N 274.792 3.954 0 40 CHAB COc1ccc(Nc2cc(C)nc(N3CCCCC3)n2)cc1 16283584 JWVUAIDOWAMCEH-UHFFFAOYSA-N 298.390 3.528 0 40 CHAB Cc1n[nH]c(=S)c2nn(-c3ccccc3Cl)c(C)c12 19810840 WAOWFKRATDZWLU-UHFFFAOYSA-N 290.779 3.748 0 40 CHAB Oc1ccc([C@H](NCc2ccco2)c2ccccc2)cc1 21964535 HZXDNLZZANZGAF-GOSISDBHSA-N 279.339 3.864 0 40 CHAB in-vitro COCc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1 25821911 WBDWBTIEQHQVCR-JXMROGBWSA-N 285.318 3.624 0 40 CHAB CCC(=O)Nc1ccc([C@H](C)NCc2cccs2)cc1 30640852 CPRYWINAEVIQTQ-LBPRGKRZSA-N 288.416 3.947 0 40 CHAB O=C(Nc1ccccc1C(F)(F)F)OCC(F)(F)F 32628727 NXJLVORARAWDFM-UHFFFAOYSA-N 287.159 3.816 0 40 CHAB in-vitro CC(C)CNC(=O)N[C@@H](c1ccccc1)c1cccs1 32909392 VEGMARMVLDGWSL-HNNXBMFYSA-N 288.416 3.793 0 40 CHAB O=C1CCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1 47915424 HIUMGKLRRQVUEG-SFHVURJKSA-N 279.383 3.810 0 40 CHAB COc1ccc(C(=O)N2CCCC2)cc1-c1ccccc1 50535494 AQVIFYBYZKTVNY-UHFFFAOYSA-N 281.355 3.598 0 40 CHAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c(=O)c1C(C)C 61688177 IJSXSWMLWMUYLG-UHFFFAOYSA-N 285.265 3.859 0 40 CHAB CSCCC(=O)c1ccc(Br)cc1C 69984211 DEZMNRLSRQZSFQ-UHFFFAOYSA-N 273.195 3.693 0 40 CHAB O=C(O)[C@@H]1C[C@H]1c1ccc(-c2ccccc2Cl)o1 70452960 YTYROQWWJRSTIX-NXEZZACHSA-N 262.692 3.788 0 40 CHAB O=Cc1c(-c2ccccc2Br)noc1Cl 71976724 JDQXXXSKWCILTR-UHFFFAOYSA-N 286.512 3.570 0 40 CHAB CCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 72284843 VAUVAVCVDLBXBJ-VIFPVBQESA-N 292.379 3.845 0 40 CHAB CCC(C)(C)NC(=O)Nc1ccc(Cl)c(NC(C)=O)c1 78973124 ZPRGHHSEQVYZBF-UHFFFAOYSA-N 297.786 3.609 0 40 CHAB Cc1cn2c(n1)[C@@H](CN[C@H](C)CCc1ccccc1)CCC2 95402207 VOGUPXQIKUDKHM-CRAIPNDOSA-N 297.446 3.680 0 40 CHAB Cc1nc(CSCCCn2ccnc2C)sc1C 95988314 TXPCMMAVRPAIOC-UHFFFAOYSA-N 281.450 3.588 0 40 CHAB CC(C)CSC[C@H](C)Nc1cccc(-c2nc[nH]n2)c1 95991619 TVGKEIRIBYDCBX-LBPRGKRZSA-N 290.436 3.661 0 40 CHAB CC(C)c1nnc(NCc2cnc(C3CC3)s2)s1 97045326 WYNXMWVBWDJWMV-UHFFFAOYSA-N 280.422 3.608 0 40 CHAB CC1(C)CCc2ccccc2[C@H]1NCc1nnc(C2CC2)o1 97373761 XDIIGGNPEOBWLU-MRXNPFEDSA-N 297.402 3.750 0 40 CHAB CCN(Cc1cccs1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105764278 GNRLVHLUUXFNJO-IHRRRGAJSA-N 277.433 3.923 0 40 CHAB Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccccn1 121739812 MTIIDZCCUXEOJN-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C(O[C@@H]1CC=C(Br)CC1)c1ccccc1 208329653 UVCQFCMBHITYRC-GFCCVEGCSA-N 281.149 3.675 0 40 CHAB COc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 222833090 VBKJATIGHLNAGM-UHFFFAOYSA-N 299.414 3.702 0 40 CHAB CC[C@@H](C)Oc1ccc2c(c1)c(C=O)c(C)n2CC 223754482 ZMRKAQXBQIUMPJ-LLVKDONJSA-N 259.349 3.959 0 40 CHAB COC(=O)c1ccc(Nc2ccc(Cl)cc2C)c(N)c1 225425682 MNLLGKZXYXPLLN-UHFFFAOYSA-N 290.750 3.761 0 40 CHAB CCCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C)c1 225727909 OYIQKNJPDQXCET-UHFFFAOYSA-N 293.407 3.926 0 40 CHAB COc1ccc([C@@H](O)c2cccc3ccccc23)cc1N 226294406 DQNJYFPDJYDQKA-GOSISDBHSA-N 279.339 3.512 0 40 CHAB Cc1cc2nc(-c3ccc(OCC(=O)O)cc3)oc2cc1C 226295378 JDFAMCHFZPHSDC-UHFFFAOYSA-N 297.310 3.575 0 40 CHAB CC(C)c1nc2ccccc2n1C1CN(c2nccs2)C1 1888881785 USVHOOLUAJFGTE-UHFFFAOYSA-N 298.415 3.678 0 40 CHAB Cc1c(C(=O)Nc2ccccc2F)cnn1-c1ccccc1 385021 ZJOHXXAFCSCQRU-UHFFFAOYSA-N 295.317 3.572 0 40 CHAB Cc1ccc(NC(=O)Cn2ccc3ccccc32)cc1 581667 YWMOKOAGMLXPAM-UHFFFAOYSA-N 264.328 3.588 0 40 CHAB CCCn1c(C(=O)c2ccccc2)nc2ccccc21 862245 CCDNYWOLOVSAMV-UHFFFAOYSA-N 264.328 3.677 0 40 CHAB O=C(Nc1cccc(Cl)c1)OCc1cncs1 1403736 BTEWAKDFHBLRLX-UHFFFAOYSA-N 268.725 3.545 0 40 CHAB NC(=O)c1cc2c3ccccc3ccn2c1-c1ccccc1 1604214 UZXDPDNFVGMTNW-UHFFFAOYSA-N 286.334 3.858 0 40 CHAB CCCCCC(=S)N1CCN(c2ccccc2)CC1 1730961 RUVMCULYLGZYHB-UHFFFAOYSA-N 276.449 3.716 0 40 CHAB O[C@@H](CCC[C@H](O)c1ccccc1)c1ccccc1 1734022 DLZYVGAWUPIIFB-IRXDYDNUSA-N 256.345 3.624 0 40 CHAB c1ccc(-c2ccc(-c3ccc(C4=NCCN4)cc3)o2)cc1 1758867 ZMSNOWWJQAQAQW-UHFFFAOYSA-N 288.350 3.963 0 40 CHAB in-vitro CCC(CC)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 2239662 SEFMGQRJAVDATB-UHFFFAOYSA-N 292.810 3.916 0 40 CHAB Cc1cnc(NC(=O)C[C@@H](C)c2ccccc2)s1 3459656 FGRSIROENMMPIB-SNVBAGLBSA-N 260.362 3.584 0 40 CHAB COc1ccccc1NC(=O)c1cc2c(s1)CCCC2 3481735 UMFKLYUDEDUVMG-UHFFFAOYSA-N 287.384 3.888 0 40 CHAB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1C 3736576 GTGBFYKASMCWBS-GOSISDBHSA-N 292.382 3.720 0 40 CHAB CCCCNC(=O)Cn1c(C)c(C(C)C)c2ccccc21 4676517 YCELGNWTUPMRDP-UHFFFAOYSA-N 286.419 3.989 0 40 CHAB C(=C\[C@@H]1OC[C@H](c2ccccc2)O1)\c1ccccc1 4705590 WSGOUZOHBWMGBM-XMNQGQKYSA-N 252.313 3.814 0 40 CHAB CCCCOc1ccc(C(N)=S)c2ccccc12 5784093 PKJCPSZWSXRMRA-UHFFFAOYSA-N 259.374 3.653 0 40 CHAB CCc1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 12998556 UROOBBVVHIVUHO-UHFFFAOYSA-N 265.356 3.990 0 40 CHAB CCCNC(=S)Nc1c(CC)cccc1CC 13789058 MIIHCOOTRFDLJZ-UHFFFAOYSA-N 250.411 3.508 0 40 CHAB O=C(NCCCCc1ccccc1)Nc1cccc(F)c1 15933699 RFBYKRYDAFKSBO-UHFFFAOYSA-N 286.350 3.970 0 40 CHAB Cc1ccc2cccc(NC(=O)c3ccc(Cl)nc3)c2n1 17024415 DOYJEENKWVKTJX-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB COc1ccccc1NC(=O)N[C@H](C)c1ccccc1C 18175248 KDGXHXXWMPVKRZ-CYBMUJFWSA-N 284.359 3.886 0 40 CHAB CCCc1cc2c(cc1NC(=O)Oc1ccccc1)OCO2 19625089 VNSVOPAMQZNTNC-UHFFFAOYSA-N 299.326 3.979 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1ccc(F)c(F)c1F 20029714 YHBVZDDJIAGNFV-UHFFFAOYSA-N 283.224 3.804 0 40 CHAB CC[C@@H](NC(=O)Cc1ccccc1)c1ccc(C)cc1 20491293 GMPCPBSKRFDHAN-QGZVFWFLSA-N 267.372 3.805 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc3ccccc3o2)C1 24766865 XDDJSBRVFZFVOC-RYUDHWBXSA-N 257.333 3.551 0 40 CHAB C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccncc1 28579918 JFYBJXJQYOLNCJ-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB CCCCOCCNC(=O)Nc1cccc2ccccc12 30836435 UZJGDWBSODGMPW-UHFFFAOYSA-N 286.375 3.778 0 40 CHAB Fc1ccccc1CN(c1ncnc2sccc12)C1CC1 32779253 XXZDDNWUDRUAIK-UHFFFAOYSA-N 299.374 3.999 0 40 CHAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 32895216 JAKOICQHRPAZKN-NEPJUHHUSA-N 277.330 3.804 0 40 CHAB O=C(c1ccc(Cl)cc1)c1cc(F)ccc1F 36940290 YAPUUMTVDWFSSF-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)c(N)c1 37064565 ILYXZFSMPFENQL-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB CCOc1ccccc1C(=O)c1ccc(C)cc1C 37356742 CQMQVYDVHHJMKF-UHFFFAOYSA-N 254.329 3.933 0 40 CHAB O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCCC1 39975836 PUTZVMHIAHGEMH-UHFFFAOYSA-N 275.348 3.790 0 40 CHAB CC[C@@H](C)n1c([C@@H](C)O)nc2ccc(Cl)cc21 40407655 UBEVUIKAMMMALH-RKDXNWHRSA-N 252.745 3.714 0 40 CHAB CC[C@@H](C)n1c([C@@H](C)N)nc2cc(Cl)ccc21 40408267 UTULRFIGBDTCCG-RKDXNWHRSA-N 251.761 3.680 0 40 CHAB C[C@H](CC(=O)Nc1ccc(CCO)cc1)CC(C)(C)C 40715244 GBIIWAIAVUFQAA-CYBMUJFWSA-N 277.408 3.622 0 40 CHAB CC1(C)CN(C(=O)CCc2ccccc2)c2ccccc2O1 41307060 XLGWYQQCKDUZFY-UHFFFAOYSA-N 295.382 3.823 0 40 CHAB Clc1ccc(OCC2CCNCC2)c2ccccc12 42782882 PNRBUUBKBUNLIN-UHFFFAOYSA-N 275.779 3.872 0 40 CHAB OCCCNc1cc(-c2ccccc2)c2ccccc2n1 46231153 SECXDPVKFRLNJG-UHFFFAOYSA-N 278.355 3.696 0 40 CHAB OC1=Nc2ccsc2[C@H](c2cccnc2)SC1 71282773 PUUIORGFULEDAT-NSHDSACASA-N 262.359 3.567 0 40 CHAB CN1CCC[C@@H]1c1cccnc1NC1CCCCC1 72214003 ZWMHTWULULHERO-OAHLLOKOSA-N 259.397 3.593 0 40 CHAB Cc1ccc(-c2[nH]ncc2C(=O)NC2CCCCCC2)cc1 72328914 POIJQVMTDRZDHL-UHFFFAOYSA-N 297.402 3.838 0 40 CHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(F)cc2)on1 72395091 VCNAMSVYMCTHEJ-WMLDXEAASA-N 288.366 3.623 0 40 CHAB Cc1cc2ccccc2nc1N1CCC(c2ncc[nH]2)CC1 79058047 HXLMBNNYGAOOQO-UHFFFAOYSA-N 292.386 3.650 0 40 CHAB CO[C@@H](C)c1cccc(NCc2cccc(O)c2)c1 89905249 UYCKPCVKDMCYCW-LBPRGKRZSA-N 257.333 3.712 0 40 CHAB COc1cc(C(=O)COc2ccccc2)ccc1Cl 94007529 IDKYEQNTWMDXFP-UHFFFAOYSA-N 276.719 3.610 0 40 CHAB CC(C)c1ccc(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 95634418 SGAUHRAKTYYKKX-GJZGRUSLSA-N 274.360 3.884 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)cc1F)[C@@H]1C[C@H]2CC[C@H]1C2 102189199 QHQBZSGMQZRVHL-ZHPDPMBESA-N 279.330 3.519 0 40 CHAB CC[C@H](NC(=O)C(C)C)c1ccc2c(c1)CCCC2 223139798 UBIOCWBCNSMXDN-INIZCTEOSA-N 259.393 3.789 0 40 CHAB CCCC[C@H](CC)CNC(=O)c1ccc(OC)c(C)c1 225116050 BBQYMKOSDDMLJG-AWEZNQCLSA-N 277.408 3.950 0 40 CHAB O=C(Cc1cccc(Cl)c1)NCC1CCCCC1 225203635 ALUREHWRDKFBHU-UHFFFAOYSA-N 265.784 3.579 0 40 CHAB O=C(NCC1(c2ccsc2)CC1)c1cccc(Cl)c1 1888922042 UANDQDGQVVTRAG-UHFFFAOYSA-N 291.803 3.863 0 40 CHAB CCc1cccc2sc(N3CC[C@@H](CF)C3)nc12 2086992528 IPHWUFRZGZXCSU-JTQLQIEISA-N 264.369 3.655 0 40 CHAB C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 367308 VQMPHAMCBLZNSV-NSHDSACASA-N 291.753 3.899 0 40 CHAB CCc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 370730 CCRKZGDTUTWLSZ-CQSZACIVSA-N 283.371 3.963 0 40 CHAB Cc1cccc2[nH]c3c(N4C[C@@H](C)C[C@H](C)C4)ncnc3c12 542887 GZLZIFHKCXYDCJ-RYUDHWBXSA-N 294.402 3.902 0 40 CHAB Oc1ccc(CNc2ccccc2)c2cccnc12 809939 KPZWEHRUSPUFCK-UHFFFAOYSA-N 250.301 3.553 0 40 CHAB aggregator C(=C(/c1ccccc1)N1CCOCC1)\c1ccccc1 1564848 MHIFCLKKYRCSOC-SDXDJHTJSA-N 265.356 3.517 0 40 CHAB CCCCC(=O)Nc1ccccc1Br 2057726 YPYNHQWNDIGURE-UHFFFAOYSA-N 256.143 3.578 0 40 CHAB Cc1ccc(C(=O)CC2(CC(=O)O)CCCC2)c(C)c1 2580202 YLAPTYWCUYBYDU-UHFFFAOYSA-N 274.360 3.911 0 40 CHAB C[C@H](Cc1cccs1)NC(=O)Nc1ccc(F)cc1 3206314 YFPKHIBGCPRLBH-SNVBAGLBSA-N 278.352 3.640 0 40 CHAB CCCC(=O)Nc1nc(-c2cccc(OC)c2)cs1 4279319 LPIJYBYZTAEGKV-UHFFFAOYSA-N 276.361 3.557 0 40 CHAB CCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 4988450 GCPANGHCUXXBLX-UHFFFAOYSA-N 296.326 3.857 0 40 CHAB Cc1ccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)cc1 5034369 WQPCHFJVWDRGHK-DHZHZOJOSA-N 291.350 3.966 0 40 CHAB COc1ccc([C@@H](O)Cc2nc3ccccc3s2)cc1 5513942 OKCDEXNVAZWANF-AWEZNQCLSA-N 285.368 3.581 0 40 CHAB S=C1NC2=C(CCCC2)[C@@H](c2ccc(Cl)cc2)N1 5570060 TYMISZFTILCCGW-CYBMUJFWSA-N 278.808 3.687 0 40 CHAB CCOC(=O)c1c(NC(C)=O)sc2c1CCCCCC2 6047338 XNGNPOFWHNPOQJ-UHFFFAOYSA-N 295.404 3.542 0 40 CHAB Cc1ccc([C@H](C(=O)O)C(Cl)(Cl)Cl)cc1 6487788 LSVNTHGUMBEXII-MRVPVSSYSA-N 267.539 3.533 0 40 CHAB CCN(CC)C(=S)S[C@@H](C)n1ccc(C)c1C 6636668 JQSZYABIOJIUOY-LBPRGKRZSA-N 270.467 3.983 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N1CCc2ccccc21 6793029 GWRHQYSFLSLVBT-UHFFFAOYSA-N 290.366 3.539 0 40 CHAB Cc1cc2ccccc2n1CC(=O)N[C@@H](C)c1ccccc1 6964413 DZMCBUUOQFYKRP-HNNXBMFYSA-N 292.382 3.827 0 40 CHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC2CCCCCC2)c1 8497317 JFQHSAMSBYZIOY-HNNXBMFYSA-N 289.419 3.910 0 40 CHAB O=C(O)c1ccc(CNc2cccc3ccccc23)o1 8702270 ZDNRRYMAWWBWDK-UHFFFAOYSA-N 267.284 3.743 0 40 CHAB CC[C@@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1 10313783 BWTQWQCHWDMSPO-CYBMUJFWSA-N 261.409 3.831 0 40 CHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1CC=CCC1 10540627 MRPZBKXHAAEBOG-OAHLLOKOSA-N 295.386 3.784 0 40 CHAB O=C(NCCC1CCCCCC1)c1ccccc1F 10542454 XKLGYJBYBDUUEQ-UHFFFAOYSA-N 263.356 3.916 0 40 CHAB O=C(NCCSCc1ccccc1F)c1cccs1 13647599 RLJZFPSIYLBCPZ-UHFFFAOYSA-N 295.404 3.550 0 40 CHAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCc2ccccc21 14022550 NQXLOGVUQPWAPG-SFHVURJKSA-N 295.382 3.742 0 40 CHAB Fc1cccc(Cl)c1CSC1=N[C@H]2CCCC[C@@H]2N1 14196649 UTXOXQSLOVHAGX-STQMWFEESA-N 298.814 3.983 0 40 CHAB COc1ccccc1NC(=O)NC1CCCCCCC1 15952167 VBEDFQPWRJUREA-UHFFFAOYSA-N 276.380 3.930 0 40 CHAB CC1CCN(c2ccc(NC(=O)c3ccncc3)cc2)CC1 17370534 JCVSGPOPFBEZPR-UHFFFAOYSA-N 295.386 3.570 0 40 CHAB Cc1cccc(C(=O)NCCSc2ccccc2)c1 18214536 ISWSJPREJJLNEX-UHFFFAOYSA-N 271.385 3.517 0 40 CHAB Cc1cc(N)ccc1NC(=O)COc1ccc(C(C)C)cc1 19736351 FVLVTSVJAMPHQK-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1F 20038430 ULKWRGNTDKSVKV-HNNXBMFYSA-N 291.297 3.761 0 40 CHAB CC(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 20158431 HEOISXFSJCDNTH-UHFFFAOYSA-N 284.340 3.627 0 40 CHAB CCc1c(C)n(CCC(C)C)c2nc3ccccc3n2c1=O 20674450 MFWLLDRTLAWUAZ-UHFFFAOYSA-N 297.402 3.566 0 40 CHAB Clc1ccc(-c2ccc(N3CCCCC3)cc2)nn1 26420468 FTRHTIWPCRQTBE-UHFFFAOYSA-N 273.767 3.787 0 40 CHAB O=C(Nc1cccc2ncccc12)[C@@H]1C[C@H]1c1ccccc1 27926216 JSGNNWOACJXTDF-JKSUJKDBSA-N 288.350 3.977 0 40 CHAB CC[C@H](C)NC(=O)c1cc2cc(Br)ccc2o1 28250207 UOJQXIXSMBCJRT-QMMMGPOBSA-N 296.164 3.724 0 40 CHAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccccc2C)cc1 30854284 RPKUAYQLBWDLSM-MRXNPFEDSA-N 297.398 3.729 0 40 CHAB Cc1cnc(-c2ccccc2Oc2ccccc2)nc1N 32598156 WUFDPWFVGIQYCK-UHFFFAOYSA-N 277.327 3.827 0 40 CHAB CC(C)(C)c1ccc(CSc2nsc(N)n2)cc1 35314644 GQNYFWBOOAIESF-UHFFFAOYSA-N 279.434 3.710 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)Cc2ccccc2F)cc1 36623453 PTASFAPZWFSWCX-CYBMUJFWSA-N 285.362 3.808 0 40 CHAB Cc1ccsc1CN(C)C(=O)c1cccc2[nH]ccc12 37841185 RZINTJLLYAYYTQ-UHFFFAOYSA-N 284.384 3.810 0 40 CHAB CC(C)(C)C(=O)CC(=O)c1ccc(Br)s1 38001968 AOLDRECYFVWFAP-UHFFFAOYSA-N 289.194 3.699 0 40 CHAB Cc1ccc(NC(=O)NC2CCCC2)c(Cl)c1 40096904 WUSMMURJHHMBMF-UHFFFAOYSA-N 252.745 3.713 0 40 CHAB Fc1cccc(Cl)c1Cc1nc(-c2ccccc2)n[nH]1 42013461 MEMONQURYKAVOT-UHFFFAOYSA-N 287.725 3.855 0 40 CHAB in-vitro NC(=S)Cc1ccc(C(F)(F)F)cc1C(F)(F)F 44959993 YFBQZVKOCZXAOJ-UHFFFAOYSA-N 287.228 3.553 0 40 CHAB CC(C)OCc1cccc(CNC(=O)c2ccsc2)c1 48790717 NRUMPSVONSATBK-UHFFFAOYSA-N 289.400 3.603 0 40 CHAB C[C@@H](NC(=O)c1occc1-c1ccccc1)c1ccncc1 52606618 SQNJFSMXDSOFTQ-CYBMUJFWSA-N 292.338 3.833 0 40 CHAB Cc1ccc([C@@H](C)N(C)c2cc(Cl)nc(N)n2)c(C)c1 58434642 FWPUMYVLNFRCKI-LLVKDONJSA-N 290.798 3.526 0 40 CHAB Clc1cccc2c1[C@@H]1Cc3ccccc3CN1CC2 64219028 GLSMGFUBVXKHNJ-INIZCTEOSA-N 269.775 3.996 0 40 CHAB CCCc1nc(CN2CCC[C@@H](C(F)(F)F)C2)cs1 65550768 VAWVBLLFMSZQAY-SNVBAGLBSA-N 292.370 3.870 0 40 CHAB CCN(C(=O)CCc1nccs1)c1cc(C)cc(C)c1 65777724 OZMOEMSEILICAU-UHFFFAOYSA-N 288.416 3.746 0 40 CHAB COc1ccc2ncc3c(-c4ccc(F)cc4)n[nH]c3c2c1 67172647 VVCLNIWDZSWGIS-UHFFFAOYSA-N 293.301 3.926 0 40 CHAB COc1ncccc1-c1cccc(-c2nnc(C)s2)c1 67955805 HOJALEADYSSTRG-UHFFFAOYSA-N 283.356 3.584 0 40 CHAB COC(=O)c1cc(OCCC(C)C)c2ccoc2c1 72228359 BXHRXQGCJBOZIA-UHFFFAOYSA-N 262.305 3.644 0 40 CHAB O=C(O)c1cc2ccccc2c(-c2cccc(F)c2)n1 77256147 SGFZBYXRNYXSEN-UHFFFAOYSA-N 267.259 3.739 0 40 CHAB Cc1ccc(CN[C@@H](C)CSC(F)(F)F)cc1 95918339 AOIUJDARFUQKRL-JTQLQIEISA-N 263.328 3.726 0 40 CHAB Cc1cccc2nc(-c3ccccc3)cc(C(=O)O)c12 96327342 XIIRDKOFVHVTQL-UHFFFAOYSA-N 263.296 3.908 0 40 CHAB COc1ccccc1[C@@H](C)Nc1cccc(N(C)C(C)=O)c1 97045705 NZDNNJYTLRXOQL-CYBMUJFWSA-N 298.386 3.851 0 40 CHAB O=C(Nc1ccc(Cl)nc1)c1cc2c(s1)CCC2 103746819 HWQBPXRBSFZXIO-UHFFFAOYSA-N 278.764 3.538 0 40 CHAB CC1(C)[C@@]2(c3ccccc3)[C@H]3C[C@H](O)[C@@H]3[C@@]12c1ccccc1 104280314 WZTHKHSGKBYGRU-NRVIEEGESA-N 290.406 3.913 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C)cc1C 113959690 YKPAQDMZGBLWTB-INIZCTEOSA-N 297.398 3.696 0 40 CHAB CC[C@H](NC(=O)C1CC1)c1ccc2c(c1)CCCC2 170569661 HGJWKTGIKWSKMI-INIZCTEOSA-N 257.377 3.543 0 40 CHAB Cc1c(C(N)=O)c2ccccc2n1Cc1ccccc1Cl 216946445 VCBUXNIUCTYSQQ-UHFFFAOYSA-N 298.773 3.750 0 40 CHAB Cc1ccc(C)c(C[C@H](Oc2ccccc2C)C(=O)O)c1 225027577 LWOQYNVHPHNUBO-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CCCOC(=O)c1cc(NC)ccc1N1CCCC[C@H]1C 226277351 BIVRQWCSXSIZIW-CYBMUJFWSA-N 290.407 3.674 0 40 CHAB O=CN[C@@H](CSc1ccc(Cl)cc1)c1ccccc1 255188676 KTIGLESFCMPORX-HNNXBMFYSA-N 291.803 3.919 0 40 CHAB CC[C@H](C)n1nccc1CNc1cn(CC(C)C)nc1C 256054942 YLEDEDJJANSHOZ-ZDUSSCGKSA-N 289.427 3.627 0 40 CHAB COCc1c(Cl)cc(Br)cc1Cl 642814974 OZNHZWOURMFZKO-UHFFFAOYSA-N 269.953 3.902 0 40 CHAB CC(=O)N1CCCCCCCc2ccccc2OCCC1 643583872 DRULDTHPVBUZNH-UHFFFAOYSA-N 289.419 3.811 0 40 CHAB Cc1cccc(Cl)c1Nc1ccccc1CCO 936068974 JHNOOMNVCRXGLT-UHFFFAOYSA-N 261.752 3.927 0 40 CHAB CC(=O)N1N=C(c2ccc(C)cc2)OC12CCCCCC2 209005 HNSBDGPZEXWEIJ-UHFFFAOYSA-N 286.375 3.586 0 40 CHAB biogenic Cc1ccc(C(=O)Cc2cc3ccccc3oc2=O)c(C)c1 216798 YVJRCGHZPYNPNK-UHFFFAOYSA-N 292.334 3.835 0 40 CHAB C[C@@H]1CCc2nc(NC(=O)c3cccs3)sc2C1 567765 XDBFHAAZXDBGRW-MRVPVSSYSA-N 278.402 3.582 0 40 CHAB O[C@@](C[C@H]1CCCCN1)(c1ccccc1)C1CCCCC1 1843162 QUAWNUHPVGFJPP-MOPGFXCFSA-N 287.447 3.987 0 40 CHAB Cc1ccccc1C(=O)c1cccc(CN2CC=CC2)c1 2515377 HNEZFDOTDOLPDG-UHFFFAOYSA-N 277.367 3.598 0 40 CHAB COc1ccccc1NC(=S)Nc1ccc(C)c(F)c1 3180468 VJEXMIJCWIJINZ-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O)cc1 3346470 LPXNEXTXAIVFDK-UHFFFAOYSA-N 292.338 3.605 0 40 CHAB Cn1c(-c2ccc(Br)cc2)c[nH]c1=S 3440397 AITWYEPLXUJOKF-UHFFFAOYSA-N 269.167 3.512 0 40 CHAB CCn1cc(CN2N=C(C)C[C@@H]2c2ccccc2)c(C)n1 4742575 OCVHOZFLMRKLIF-QGZVFWFLSA-N 282.391 3.534 0 40 CHAB Cc1oc2ccccc2c1/C=C/c1cccc[n+]1C 5002327 VHVDBFKYMUXQBK-ZHACJKMWSA-N 250.321 3.736 0 40 CHAB CCN(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2[nH]1 5353812 YBLPQNOYOKNNDQ-UHFFFAOYSA-N 296.345 3.969 0 40 CHAB COc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 5404408 ZCRDVFJIHULIHY-UHFFFAOYSA-N 295.382 3.504 0 40 CHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1 5406277 ZNORWCJSMGPZMU-UHFFFAOYSA-N 282.368 3.569 0 40 CHAB O=C(O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 5732768 NWLRLIOHTHGLHV-GXDHUFHOSA-N 290.265 3.913 0 40 CHAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 5860313 ZHGZQCFSWZAJLM-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB O=C(CNc1ccccc1F)Nc1ccccc1Cl 7972125 WJRNEAMULJTYSI-UHFFFAOYSA-N 278.714 3.530 0 40 CHAB COc1cc(CNc2ccc(Cl)cc2)ccc1O 8112571 NFMPZUNOVMXTMR-UHFFFAOYSA-N 263.724 3.666 0 40 CHAB Cc1ccc(-c2cc(NC(=O)Cc3ccsc3)on2)cc1 8345666 CNNLNWWSJYJZJP-UHFFFAOYSA-N 298.367 3.893 0 40 CHAB O[C@H]1CCCc2c(Oc3ncnc4ccsc34)cccc21 8761839 QCKLWSDFPMKKCI-ZDUSSCGKSA-N 298.367 3.853 0 40 CHAB COc1ccc(Cl)cc1NC(=O)CSC(C)(C)C 8938618 VOWYRUXQSWKLCA-UHFFFAOYSA-N 287.812 3.819 0 40 CHAB CSCC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 9502591 RLTYGPDPPWOVTP-QGZVFWFLSA-N 285.412 3.564 0 40 CHAB CC[C@H](C)NC(=O)c1cc(C2CC2)nc2ccccc12 12569547 PVXNKPQEAMDRIP-NSHDSACASA-N 268.360 3.641 0 40 CHAB Cc1ccc(NC(=O)c2sc(C)nc2C)c(Cl)c1 12598708 STRTXAZBKZDVEA-UHFFFAOYSA-N 280.780 3.974 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 13006872 PYUDOEVVEWOBDX-LLVKDONJSA-N 276.380 3.656 0 40 CHAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2)cc1 13132345 GKFVKVSTVJKHMZ-SJORKVTESA-N 290.370 3.733 0 40 CHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1C 14170233 UBFBSNGZMHCEOO-CQSZACIVSA-N 283.371 3.803 0 40 CHAB O=C(Cc1coc2cc3c(cc12)CCC3)NC1CCCC1 15080665 JZDIFUQRBYQQHB-UHFFFAOYSA-N 283.371 3.523 0 40 CHAB Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1C 16506049 ROVJEIDAFSDECY-UHFFFAOYSA-N 268.360 3.622 0 40 CHAB CCc1ccccc1NC(=O)NCCc1ccc(F)cc1 17009609 LMTWVAJIIUIATE-UHFFFAOYSA-N 286.350 3.752 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3cc(C)ccc3C)C(=O)[C@@H]2C1 18158163 FPPHWZSYQMTFLS-HUUCEWRRSA-N 283.371 3.539 0 40 CHAB Cc1ccc(NC(=O)Nc2c(F)cccc2F)cc1 19075123 XNNQQMHFDBNWKR-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736580 OSFGMKXXBJNGJX-UHFFFAOYSA-N 286.350 3.958 0 40 CHAB CCCCN[C@H](C)c1ccc(Br)cc1 19906960 GQXYGILLOMRNCI-SNVBAGLBSA-N 256.187 3.900 0 40 CHAB Cc1cc(CNc2ccc3c4c(cccc24)CC3)no1 22256623 MAWYVYXXSFOORX-UHFFFAOYSA-N 264.328 3.847 0 40 CHAB CCN(CC)C(=O)c1cccc(NC(=O)CC(C)(C)C)c1 24030589 TXVZWBCQOARAPQ-UHFFFAOYSA-N 290.407 3.543 0 40 CHAB Cc1nn(C)c(C)c1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 29427664 PMPHFYGYPCHSAR-LBPRGKRZSA-N 299.418 3.651 0 40 CHAB C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccncc1 32508865 SQSFDNWIWNOZLO-SECBINFHSA-N 295.169 3.879 0 40 CHAB COc1ccc(C(C)=O)cc1CSc1nc(C)cs1 35184858 BESYCSCILYKQGQ-UHFFFAOYSA-N 293.413 3.955 0 40 CHAB Cc1nc2cc(F)ccc2cc1C(=O)NC(C1CC1)C1CC1 40040647 UFAHKFAQVBICQH-UHFFFAOYSA-N 298.361 3.601 0 40 CHAB O=C(c1ccco1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 40817732 VFUKQKNXZHHOAI-CQSZACIVSA-N 295.342 3.523 0 40 CHAB Cc1ccc(Nc2nc(C)c(-c3ccnc(N)n3)s2)cc1 43796823 OQYGKRWZQLIGPR-UHFFFAOYSA-N 297.387 3.543 0 40 CHAB CCc1nc(NC(=O)c2cc(C)ccc2C)sc1C 44701727 LOCJAOVTYRBXOZ-UHFFFAOYSA-N 274.389 3.883 0 40 CHAB CN(C(=O)c1ccccc1C(F)(F)F)c1ccccc1 47219841 FAIQOZUPKKSBQF-UHFFFAOYSA-N 279.261 3.982 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H](C)C1CC1 48113692 AJZDJOABTHKWQL-RISCZKNCSA-N 290.407 3.699 0 40 CHAB Cc1cccc(C(=O)N2CCC(Nc3ccccc3)CC2)c1 48291897 LHUHZJYNUSTOIF-UHFFFAOYSA-N 294.398 3.712 0 40 CHAB CC(C)(F)C(=O)c1cc(F)cc(Br)c1 51971045 STWSSCILYFFLED-UHFFFAOYSA-N 263.081 3.519 0 40 CHAB COc1ccc(-c2cc3c(SC(C)C)nccn3n2)cc1 57510788 WAKQXKGKTWJESC-UHFFFAOYSA-N 299.399 3.905 0 40 CHAB Clc1cccc(CNCCCc2nc3ccccc3[nH]2)c1 62718660 GQHVEMQIKKLNJC-UHFFFAOYSA-N 299.805 3.939 0 40 CHAB CCc1cc(Cl)c(OC)c(C(=O)N2CCCC[C@H]2C)c1 72206572 QSUALJMJDFEAGO-LLVKDONJSA-N 295.810 3.926 0 40 CHAB CCc1cc(Cl)c(OC)c(C(=O)N2CCCCC2)c1 72206574 HHAVBCWGJGPMHP-UHFFFAOYSA-N 281.783 3.537 0 40 CHAB CCCCN1CCCC[C@@H]1c1cnc(OC)cc1C 72218040 YNOFBPFVXZURAW-OAHLLOKOSA-N 262.397 3.726 0 40 CHAB COc1ccc2nccc(Nc3ccccc3C(=O)O)c2c1 78401510 JOOUABDNULPQNW-UHFFFAOYSA-N 294.310 3.685 0 40 CHAB CCOC(=O)Nc1ccc(OCc2nc(C)cs2)cc1 79073249 KJUVKRHJNHMRSQ-UHFFFAOYSA-N 292.360 3.599 0 40 CHAB CSc1ccc([C@@H](O)c2ccc(C)s2)cc1 84193697 PJDDBDDNYOVORF-CYBMUJFWSA-N 250.388 3.860 0 40 CHAB CC(C)c1ncc(C(=O)O[C@H](C)c2ccccn2)s1 95430944 RWWOTKBKQGFLAC-SNVBAGLBSA-N 276.361 3.580 0 40 CHAB CCOC(=O)CCCOc1cccc(Cl)c1Cl 95738564 PCBQRSALNRWXKF-UHFFFAOYSA-N 277.147 3.716 0 40 CHAB C[C@@H]1CC(C)(C)N(C(=O)c2cocn2)c2ccccc21 97047053 CQTGTBSPGMVEMQ-LLVKDONJSA-N 270.332 3.607 0 40 CHAB CC(C)c1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccccc1 100228630 BRQNYTMTBOCHLP-YJBOKZPZSA-N 293.414 3.862 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102382811 RAEVZJVIAYFCKP-JSKKHFNMSA-N 283.415 3.731 0 40 CHAB O=C(Nc1ccc(Oc2ccccc2)cn1)c1cccnc1 103125302 BSMFWTVRHZOHCN-UHFFFAOYSA-N 291.310 3.521 0 40 CHAB COc1c(Br)cc(Br)c(C)c1F 114022912 XNDSPFMTMZMAFU-UHFFFAOYSA-N 297.949 3.668 0 40 CHAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccncc2)c1 225538950 KSDWPPDVMBDTDZ-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB CCOc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1N 226264986 WTIXXEXXIXUBNH-UHFFFAOYSA-N 296.374 3.525 0 40 CHAB C[C@]1(O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CO)[C@@H](CC[C@@H]21)C3 248021542 LZAZGDZVFQSCFO-RMVVIVTNSA-N 292.463 3.753 0 40 CHAB biogenic,in-vitro CCOc1ccccc1CN1CCCC[C@H]1c1ccncn1 257228698 FUWWBZMDVOTHKM-KRWDZBQOSA-N 297.402 3.603 0 40 CHAB Cc1nccc([C@H]2CCCN(Cc3ccc(C)s3)C2)n1 257307193 SXPAADJENOAHFO-AWEZNQCLSA-N 287.432 3.535 0 40 CHAB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@H](C)C(=O)O 260612733 AQUBNLIEFUUUMI-NWDGAFQWSA-N 261.365 3.560 0 40 CHAB COC(=O)[C@H](C)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260616287 HRZJBCQAMCTMAO-KGLIPLIRSA-N 289.419 3.957 0 40 CHAB COC(=O)[C@@H](C)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260619605 OPWNEBZMJUILNU-CHWSQXEVSA-N 275.392 3.649 0 40 CHAB Cc1cccc(NC(=O)c2ccc3c(c2)nc(C)n3C)c1C 408731916 QTYFGSZVROIIGI-UHFFFAOYSA-N 293.370 3.751 0 40 CHAB O=C(/C=C/c1cccs1)NCc1ccc(-c2ccco2)o1 575609024 NCONVXABSCURQM-SOFGYWHQSA-N 299.351 3.931 0 40 CHAB O=C(NCc1cc(-c2ccsc2)cs1)C1CCC1 1775969712 HUOWSDCKANSEAE-UHFFFAOYSA-N 277.414 3.893 0 40 CHAB O=C(O)c1cc(SC(F)(F)F)cc(C2CC2)c1 1888913902 NMMJBAZEBZEYOB-UHFFFAOYSA-N 262.252 3.874 0 40 CHAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=O 1374 DNXHEGUUPJUMQT-LISAXSMJSA-N 270.372 3.817 0 40 CHAB O=C(NCCc1ccccc1)c1cc(F)c(F)cc1Cl 36002 PUIJETUVCPDBIH-UHFFFAOYSA-N 295.716 3.591 0 40 CHAB Cc1ccc2cccc(N[C@@H]3OC(=O)c4ccccc43)c2n1 100278 YLSVGZZXFDPHIK-QGZVFWFLSA-N 290.322 3.824 0 40 CHAB C[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2[C@H]3CC=CC[C@@H]3C(=O)N12 518032 MAFXGFNNEKUFGD-CQEJWKIFSA-N 292.382 3.578 0 40 CHAB Cc1cc(C)c2nc(-n3nc(C)cc3C)cc(C)c2c1 1465451 CPDHQTNOEHHRQZ-UHFFFAOYSA-N 265.360 3.963 0 40 CHAB C[C@H]1CCC[C@H](C)N1C(=O)Cc1ccc(Cl)cc1 1469252 KBTXXJXEXLKFJD-RYUDHWBXSA-N 265.784 3.672 0 40 CHAB CCCCN[C@@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 1667055 OOKFNBJFELGWFO-OALUTQOASA-N 299.414 3.860 0 40 CHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C[C@@H](O)C[C@@H]12 1760389 SLNMIOMHGWEGBR-QFHLCROWSA-N 286.415 3.912 0 40 CHAB C[C@H]1CC(c2ccccc2)(c2ccccc2)CN1C 1769047 VWXFASZGGRDJAU-HNNXBMFYSA-N 251.373 3.697 0 40 CHAB O=C(OCc1ccc(Cl)cc1Cl)c1ccco1 3278619 FZZXLBYDXWANTI-UHFFFAOYSA-N 271.099 3.943 0 40 CHAB Cc1cccc(C(=O)c2ccc(Br)cc2)c1 4241923 CKOJVDGMHBXDGZ-UHFFFAOYSA-N 275.145 3.989 0 40 CHAB CC(=O)Oc1ccccc1C(=O)Oc1ccc(C(C)C)cc1 4857463 IOAPMJDLVAHRIG-UHFFFAOYSA-N 298.338 3.955 0 40 CHAB c1ccc(C(CNC[C@@H]2CCCO2)c2ccccc2)cc1 4992644 PFYGZRURHRYWBG-SFHVURJKSA-N 281.399 3.587 0 40 CHAB COc1ccc(N[S@](=O)c2c(C)cc(C)cc2C)cc1 5536762 PQPPEWKFHKYMJR-FQEVSTJZSA-N 289.400 3.755 0 40 CHAB CN(C)[C@@H](Cc1ccccc1)C(=O)c1ccc(Cl)cc1 6078924 MKTZHJOPZKLWGO-INIZCTEOSA-N 287.790 3.696 0 40 CHAB COc1cc(C(=O)Nc2ccccc2)cc(Cl)c1OC 6170016 VSLZGPWRTZGKJC-UHFFFAOYSA-N 291.734 3.610 0 40 CHAB C[C@H](CCc1ccccc1)NC(=S)NCc1ccccc1 6176170 DOOVCRCAHGBRQS-OAHLLOKOSA-N 298.455 3.672 0 40 CHAB CC(=O)Nc1ccccc1OCc1ccc(Cl)cc1 6836057 GOUQWUVXYXQKAA-UHFFFAOYSA-N 275.735 3.877 0 40 CHAB CCN1C(=O)/C(=C/c2ccccc2F)c2ccccc21 6953689 LWNGMHGYPKQCJK-SDNWHVSQSA-N 267.303 3.733 0 40 CHAB S=C(Nc1cccc(Br)c1)NC1CCCC1 6969902 PEYYURUMSJVLRZ-UHFFFAOYSA-N 299.237 3.678 0 40 CHAB O=C(Nc1ccccc1F)c1cc2ccccc2[nH]1 8071521 WYZJSGGIZWSXGU-UHFFFAOYSA-N 254.264 3.559 0 40 CHAB C[C@H](CNC(=O)c1ccc(Cl)cc1)c1ccccc1 8168193 FNNTYFJHNDCSCD-GFCCVEGCSA-N 273.763 3.874 0 40 CHAB C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(F)cc1 8285660 LOIOVUAUVRQKJL-CYBMUJFWSA-N 299.345 3.666 0 40 CHAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccncc1 10024312 LTMHDXUVJIIMKD-UHFFFAOYSA-N 286.334 3.905 0 40 CHAB O=C(N[C@H](c1ccccc1)C1CC1)c1cccs1 11204341 MEGHWKHNXDMEIM-CQSZACIVSA-N 257.358 3.629 0 40 CHAB Cc1ccc(NC(=O)N[C@H]2CCc3ccccc32)cc1 12867168 FHCFMPBLXRNADX-INIZCTEOSA-N 266.344 3.804 0 40 CHAB CC(C)NC(=S)Nc1ccc(Cl)c(Cl)c1 13788310 GAXNJIRGEPBXQF-UHFFFAOYSA-N 263.193 3.688 0 40 CHAB COC(=O)c1ccc(Oc2c(N)cccc2Cl)cc1 14629281 YSXJSENSCPAWTM-UHFFFAOYSA-N 277.707 3.501 0 40 CHAB CCn1ncc(-c2cc(C(F)F)c3c(C)noc3n2)c1C 20605127 IYODLIWUEMBXRP-UHFFFAOYSA-N 292.289 3.661 0 40 CHAB CCc1ccc(CN(C)C(=O)N[C@@H](C)c2ccccn2)cc1 26186432 FGIKPGNGYAPPOS-AWEZNQCLSA-N 297.402 3.547 0 40 CHAB Cc1cc(Cl)c2cc(C(=O)OC(C)C)ccc2n1 26462991 DSTAOHCQXOWKPQ-UHFFFAOYSA-N 263.724 3.762 0 40 CHAB CCN(CC)[C@@H](C)C(=O)C12CCC3C[C@@H](C[C@@H](C3)C1)C2 27988319 RWYVMAIKRGMMHS-SWOOZJHCSA-N 277.452 3.892 0 40 CHAB CCC(=O)Nc1ccc([C@H](C)NCc2ccc(C)o2)cc1 30640824 MVJIWSGBQFMRNG-ZDUSSCGKSA-N 286.375 3.787 0 40 CHAB O=C(OCc1cccnc1)c1csc(-c2ccccc2)n1 36395041 OBSQABXXRDXBIU-UHFFFAOYSA-N 296.351 3.562 0 40 CHAB Cc1n[nH]cc1CNC(c1ccccc1)c1ccccc1 36901555 OMICGNNLUAXQSD-UHFFFAOYSA-N 277.371 3.597 0 40 CHAB O=C(O)c1ccc(Cl)c(C(F)(F)F)c1Cl 38235789 YOIVZYSWXDVNPY-UHFFFAOYSA-N 259.010 3.710 0 40 CHAB C[C@@H]1c2ccsc2CCN1C[C@H](O)c1ccccc1F 40071616 XVNKBBUKWDENTD-ABAIWWIYSA-N 291.391 3.540 0 40 CHAB COc1ccccc1CCNC(=O)Nc1cccc(C)c1C 40095324 SVAITNWFOIZVGW-UHFFFAOYSA-N 298.386 3.676 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c(F)c1 40098494 DGVHWFIZPSGAEQ-NSHDSACASA-N 276.311 3.918 0 40 CHAB CC(C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 40159717 DENPJWBNGFTZHC-MRVPVSSYSA-N 260.164 3.827 0 40 CHAB COc1ccc(C(=O)c2ccccc2)cc1NC(=O)C(C)C 41365870 LWXGQTXRSPAQBI-UHFFFAOYSA-N 297.354 3.521 0 40 CHAB c1ccc2c(c1)OCC[C@@H]2Nc1cnc2ccccc2n1 41872940 WSKKXANOVDCZCR-ZDUSSCGKSA-N 277.327 3.566 0 40 CHAB Clc1nccc2c1CCCN2Cc1ccccc1 45028267 QZMXMKGMWYHVBR-UHFFFAOYSA-N 258.752 3.688 0 40 CHAB Cn1cc(-c2nc(CSc3ccccc3)cs2)cn1 48581821 YYESBKWATAJKBP-UHFFFAOYSA-N 287.413 3.836 0 40 CHAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1cccs1 58161666 ZVVHDPSTORAQNJ-LBPRGKRZSA-N 276.386 3.507 0 40 CHAB CCCCO[C@H]1OCN(C2CCCCC2)CC1(C)C 61916436 QTUOZAGXZXTNCK-HNNXBMFYSA-N 269.429 3.778 0 40 CHAB C[C@H](N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1 62999140 FOPWRQRGJLMNGK-BLLLJJGKSA-N 275.779 3.724 0 40 CHAB CC[n+]1c(C)csc1Nc1ccc(Cl)cc1 65090460 VXZWMMKRZSTTNP-UHFFFAOYSA-O 253.778 3.761 0 40 CHAB Cc1cc([C@@H]2CCCCN2C)cnc1N1CCCCC1 72219174 NCUPKNJPVVDCFO-INIZCTEOSA-N 273.424 3.537 0 40 CHAB Nc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)c(Cl)c1 72265875 NVZSCSQYYUTATB-SSDOTTSWSA-N 293.594 3.794 0 40 CHAB in-vitro Fc1ccccc1C1CCN(Cc2cccnc2)CC1 72342081 FTVTYFFCMFZLKB-UHFFFAOYSA-N 270.351 3.600 0 40 CHAB Cc1nc(C)c(C(=O)N2CC[C@H](C)CC[C@H]2C(C)C)o1 73793543 BSEWZPVIJZJTJI-RISCZKNCSA-N 278.396 3.578 0 40 CHAB CSCc1ccnc(NC(=O)c2ccccc2Cl)c1 75141007 CLIDVOPUVUYKGK-UHFFFAOYSA-N 292.791 3.850 0 40 CHAB CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@@H]1CCCC1=O 93487873 BSNQLZMGLCTBIL-QWHCGFSZSA-N 281.396 3.535 0 40 CHAB CCCCn1nc(C2CC2)nc1Cc1ccc(F)cc1F 95501824 UBGBOYGTKXBINS-UHFFFAOYSA-N 291.345 3.825 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1c(F)cccc1Cl 95916687 FAUNEIAHQJQZDQ-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB c1ccc([C@@H](NC2CCCCCCC2)c2nnc[nH]2)cc1 95940859 AUCQOMSNKYSNHZ-MRXNPFEDSA-N 284.407 3.597 0 40 CHAB Cc1cccc(CCC(=O)NCc2ccnc(C3CC3)c2)c1 96008103 VMPFXXQMTQAFPQ-UHFFFAOYSA-N 294.398 3.516 0 40 CHAB COc1ccc([C@H]2COc3ccc(C)cc3N2)cc1 96531270 WVSYXRRDJUDJDD-OAHLLOKOSA-N 255.317 3.549 0 40 CHAB Cc1ccccc1NC(=O)[C@@]12C[C@@H]3CC[C@]1(C)[C@]3(C)CO2 100700703 VEXFIHOUSZHFJY-LIRZEXBASA-N 285.387 3.529 0 40 CHAB COc1ccc(Cl)c(C(=O)Cc2ccccc2)c1 107996392 FONLMUBKRQJGID-UHFFFAOYSA-N 260.720 3.774 0 40 CHAB CCc1ccc(C(=O)Oc2c(C)cc(C(=O)O)cc2C)cc1 216726665 FZQNOEMOTMIQMC-UHFFFAOYSA-N 298.338 3.783 0 40 CHAB Cc1ccc2[nH]c(-c3ccc(NC(=O)N(C)C)cc3)nc2c1 225269476 AVYQECYJKYOUDQ-UHFFFAOYSA-N 294.358 3.632 0 40 CHAB CC[C@@H](C)n1c(Cc2ccccc2)ccc1C(=O)O 226027626 WQZNREGAOOPQAB-GFCCVEGCSA-N 257.333 3.748 0 40 CHAB CCCN(Cc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C 685937322 PBGNDDAUJWVZLH-UHFFFAOYSA-N 293.363 3.532 0 40 CHAB OCc1cc(C2CC2)nc2ccc(C(F)(F)F)cc12 685937461 QGKDSRUCWAOQQT-UHFFFAOYSA-N 267.250 3.623 0 40 CHAB O=C(C1CCCCC1)N1CC[C@@H](c2cccs2)C1 827907443 XLKFZVMQDYUXHF-CYBMUJFWSA-N 263.406 3.644 0 40 CHAB CC[C@@H]1C[C@@H]2[C@](C)(OC=C3CCCC[C@H]3[C@@]2(C)C(=O)O)O1 1772591040 CBIDMVNWAPNTBS-BDLOOMQFSA-N 294.391 3.713 0 40 CHAB O=C(Nc1nc2ccccc2s1)[C@@H]1C[C@H]2CC[C@@H]1C2 27785 XFJCAJSVGYJLDR-HBNTYKKESA-N 272.373 3.671 0 40 CHAB Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 383762 SUEBLUQEUZFRMU-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB CC(C)C[C@@H](C)NC(=O)COc1cccc2ccccc12 2065837 CIQBVVHRYKFLBR-CQSZACIVSA-N 285.387 3.769 0 40 CHAB Cc1ccccc1C(=O)NCc1cccc(Cl)c1 3446258 GUHYVFGEOZKGFE-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)c1ccccc1 4765176 XEOQHVVLXIUVHB-MWQQHZPXSA-N 290.403 3.724 0 40 CHAB O=C(COc1ccccc1F)Nc1cccc2ccccc12 5560371 HRJJLCSYTTWFTK-UHFFFAOYSA-N 295.313 3.996 0 40 CHAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1F 5612513 PLRZERWMEMWCKB-UHFFFAOYSA-N 287.378 3.772 0 40 CHAB CCCN(CCC)C(=O)c1ccc2nc(C)sc2c1 6398223 PUDQDRDDIYGQGM-UHFFFAOYSA-N 276.405 3.867 0 40 CHAB O=C(C1CC1)N(Cc1ccccc1)c1ccccc1 6675995 NERQIFBPMKIRMO-UHFFFAOYSA-N 251.329 3.630 0 40 CHAB Cc1cc(COC(=O)CCCc2c[nH]c3ccccc23)on1 8537240 SRSPNRHNCAIEES-UHFFFAOYSA-N 298.342 3.530 0 40 CHAB CC[C@H](C)C(=O)Nc1ccccc1SCCCC(=O)O 8732867 NBAAODCFUVLNIG-NSHDSACASA-N 295.404 3.628 0 40 CHAB CCc1cccc(NC(=O)CCC(=O)c2cccs2)c1 8980345 UXVVVJRPRMCIMZ-UHFFFAOYSA-N 287.384 3.912 0 40 CHAB c1ccc2c(c1)OCC[C@H]2Nc1ncnc2sccc12 9313531 QRVGFDIXNGROAB-GFCCVEGCSA-N 283.356 3.627 0 40 CHAB CCN(C(=O)/C=C/c1ccc(F)cc1)c1ccccc1 12494131 GYGHGUHYMOUNFV-JLHYYAGUSA-N 269.319 3.892 0 40 CHAB COc1ccc(CN(C)C(=O)Cc2ccc(C)c(C)c2)cc1 13681245 GVTFOWPKUNEFBZ-UHFFFAOYSA-N 297.398 3.513 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)n[nH]2)cc1 14206316 FPDPGNLAPDOHGL-UHFFFAOYSA-N 291.354 3.946 0 40 CHAB Nc1cc(Cl)ccc1Oc1ccc(F)cc1F 14629429 XGJSZUQQLRADEY-UHFFFAOYSA-N 255.651 3.993 0 40 CHAB CC(C)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 17023859 ZOFJNNXCDMMDND-OKILXGFUSA-N 295.448 3.762 0 40 CHAB Cc1ccc(-c2cc(C(F)F)c3cnn(C)c3n2)s1 20603037 BHDWHDGTUDVDGN-UHFFFAOYSA-N 279.315 3.943 0 40 CHAB Cc1ccccc1NC(=O)c1cc(-c2cccs2)on1 21149554 ZPPWREVRCSGFPT-UHFFFAOYSA-N 284.340 3.964 0 40 CHAB CC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(OC)cc1 21836337 ROKQSRBNMDXOKC-MRXNPFEDSA-N 287.334 3.715 0 40 CHAB Fc1ccc(OCCNc2nc3ccccc3s2)cc1 26776062 QFBVOSITSXSGTL-UHFFFAOYSA-N 288.347 3.926 0 40 CHAB Cc1cc(C)c2cc(C(=O)NCc3ccco3)[nH]c2c1C 28262518 ASUBAHLXQDHQHL-UHFFFAOYSA-N 282.343 3.616 0 40 CHAB Cc1ccc(CC(=O)Nc2cccc(OC(C)C)c2)cc1 30868484 NMHRKNDZIYRWTF-UHFFFAOYSA-N 283.371 3.963 0 40 CHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C)CC1 30868689 DUMGWNPJPDLUQU-OAHLLOKOSA-N 295.810 3.756 0 40 CHAB Cc1n[nH]cc1CN[C@H](c1ccc(Cl)cc1)C(C)C 36975527 SGDPLKHNXMFUKV-HNNXBMFYSA-N 277.799 3.858 0 40 CHAB O=C(O)c1cc(NC(=O)C2CCCCC2)ccc1Cl 37403966 IOCZUVYCUDBZCQ-UHFFFAOYSA-N 281.739 3.557 0 40 CHAB COc1cc(Cl)ccc1C(=O)NCc1ccc(C)cc1 49412215 RWHSCJDWIWKLMZ-UHFFFAOYSA-N 289.762 3.587 0 40 CHAB COc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)cc1 50275422 VBUSDPCZOXHJQG-ZDUSSCGKSA-N 284.359 3.920 0 40 CHAB C[C@H](NC(=O)c1cccs1)c1ccc2c(c1)CCC2 53387797 FCLQYXIVRKPTOA-NSHDSACASA-N 271.385 3.728 0 40 CHAB Cc1ccoc1C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 55735920 GIVAIDSYIOHMRK-LBPRGKRZSA-N 294.354 3.829 0 40 CHAB CC(C)NC(=S)N[C@@H](c1cccs1)C(C)(C)C 66007303 NBGDMQBWYPAQPV-NSHDSACASA-N 270.467 3.708 0 40 CHAB O=C(Nc1ccc(OC2CCCC2)cc1)C(F)(F)F 70266954 XYJFZJXHIMQZDV-UHFFFAOYSA-N 273.254 3.509 0 40 CHAB Cc1cc(C[S@](=O)Cc2ccc(C(C)(C)C)cc2)on1 71859037 QDBAKAWMYTXBBS-FQEVSTJZSA-N 291.416 3.729 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(NCCC)nc1 72213200 FZZBMIACFYVTJE-HNNXBMFYSA-N 261.413 3.841 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2Cl)c(C)n1C 74701974 PEIFNPQHSLQAOV-UHFFFAOYSA-N 262.740 3.548 0 40 CHAB Cc1[nH]ccc1C(=O)N1CCC(=Cc2ccccc2)CC1 95408755 SHDSAHKPLUXSHW-UHFFFAOYSA-N 280.371 3.643 0 40 CHAB CCOc1ncccc1CN[C@H](C)c1ccc(C)s1 95420091 XCKUDSJRQALNRN-GFCCVEGCSA-N 276.405 3.701 0 40 CHAB COc1cc(CN[C@@H]2C[C@@H](c3ccccc3)C2(C)C)ccn1 96009150 DTYNBAGDRHLBMN-DLBZAZTESA-N 296.414 3.762 0 40 CHAB BrC1=C[C@H]2[C@H]1[C@H]1C=C[C@H]2c2ccccc21 104134104 NPPNDZKDSHBZLV-CIQGVGRVSA-N 259.146 3.962 0 40 CHAB Nc1ccc(C2(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 158760975 LMZNYTIQVDMRBL-UHFFFAOYSA-N 286.762 3.593 0 40 CHAB Cc1ccsc1[C@H](C)N[C@H]1CCO[C@@]2(CCSC2)C1 195548992 AALXTSRXEOVSJP-YDHLFZDLSA-N 297.489 3.762 0 40 CHAB CCOc1ccc(C(=O)NCCCc2ccccc2)cc1C 223330389 OVZYPYWDOMTZRB-UHFFFAOYSA-N 297.398 3.756 0 40 CHAB CC1=CC(C)(C)N(C(C)C)c2ccc(C(=O)O)cc21 223793401 FDOZHWXCEBFWJH-UHFFFAOYSA-N 259.349 3.795 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223887842 IDPQWRLMWCXVAC-KGLIPLIRSA-N 289.419 3.638 0 40 CHAB O=C(Cc1ccc(Cl)cc1F)NCC1=CCCCC1 225098863 MURXWQTWAKBKPW-UHFFFAOYSA-N 281.758 3.638 0 40 CHAB CC[Si](CC)(CC)c1c(F)ccc(OCOC)c1F 261828266 IKWBKHQWLCWVLU-UHFFFAOYSA-N 288.410 3.663 0 40 CHAB NC1(c2cc(Br)cc3ccccc23)CC1 575629389 UXROSEIQDJZLIA-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB O=C(Nc1cccc(F)c1)Nc1cccnc1Cl 137487 BOTNZGITYKOAQO-UHFFFAOYSA-N 265.675 3.518 0 40 CHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 311624 DSVCKRBKEGMQJW-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB CCOC(=O)N(C)c1ccc2c(c1)Cc1ccccc1-2 1574358 MEFJFSBWPLGSON-UHFFFAOYSA-N 267.328 3.851 0 40 CHAB CC(=O)OCCOc1cc(Cl)c(Cl)cc1Cl 1608865 UBRWOKBYPWDPHR-UHFFFAOYSA-N 283.538 3.589 0 40 CHAB Cc1cc(OCCCC(=O)NC(C)(C)C)ccc1Cl 1787165 QRGSYWKFJZZFQA-UHFFFAOYSA-N 283.799 3.722 0 40 CHAB O[C@@H](c1cccc(Cl)c1)C(Cl)(Cl)Cl 2046106 OSNMUTGQMSQKNU-ZETCQYMHSA-N 259.947 3.744 0 40 CHAB CCCCOc1c(Cl)cc(C=O)cc1OCC 2767001 NXLRBEDXIXAZJA-UHFFFAOYSA-N 256.729 3.730 0 40 CHAB CCC(=O)Nc1ccc2c(c1)ncn2CCc1ccccc1 5452371 JLEMCYUQGSXPGV-UHFFFAOYSA-N 293.370 3.628 0 40 CHAB Cc1noc(C)c1CC(=O)OCc1cccc2ccccc12 5938009 SHGUFPNVIADAOH-UHFFFAOYSA-N 295.338 3.731 0 40 CHAB Cc1ccc(OC[C@@H](O)CNC(C)(C)CC(C)(C)C)cc1 7636277 NCJYCTRTLSFMPL-HNNXBMFYSA-N 293.451 3.539 0 40 CHAB COc1ccc(C)cc1NC(=O)c1cccc(C)c1C 7971441 VILBREOBWUDGIR-UHFFFAOYSA-N 269.344 3.873 0 40 CHAB CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OC 8254368 KGBUIKSFEHSLDI-CQSZACIVSA-N 285.387 3.945 0 40 CHAB Cc1ccc(C)c(NC(=O)[C@H]2Cc3ccccc3S2)c1 8709308 MLCXMFROZMZXLB-MRXNPFEDSA-N 283.396 3.959 0 40 CHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccoc1 8944593 OSJALAFOUXLULE-UHFFFAOYSA-N 265.696 3.502 0 40 CHAB CCCn1c(NC(=O)c2ccsc2)nc2ccccc21 9314784 RKMHYSKHGYKGIB-UHFFFAOYSA-N 285.372 3.760 0 40 CHAB CC(C)(C)c1nnc2sc(-c3cc4ccccc4[nH]3)nn12 9482317 UZFUBMLMCOOVJH-UHFFFAOYSA-N 297.387 3.632 0 40 CHAB Cc1ccc(S(=O)(=O)NCCC2CCCCCC2)cc1 10543490 RVJDIIFUPCGRLC-UHFFFAOYSA-N 295.448 3.634 0 40 CHAB O=C(Nc1ccc(F)cc1)c1ccc(-n2cccc2)cc1 12517445 NOPPHGGYNGPEKO-UHFFFAOYSA-N 280.302 3.869 0 40 CHAB O=C1c2ccccc2NC2(CCCCC2)N1CC(F)(F)F 12528087 UOLHSTLDVOTCCM-UHFFFAOYSA-N 298.308 3.777 0 40 CHAB CCC(=O)Nc1nc(-c2cc(C)sc2C)cs1 13985634 MDEBEYGXHNXDLB-UHFFFAOYSA-N 266.391 3.837 0 40 CHAB C[C@@H](Oc1ccccc1)c1nc2ccc(F)cc2[nH]1 15833553 DYBFKNBUFACWRA-SNVBAGLBSA-N 256.280 3.842 0 40 CHAB C[C@H](O)c1ccc(Oc2ccc([C@@H](C)O)cc2)cc1 16787188 NKDKJEOJMQSDNA-TXEJJXNPSA-N 258.317 3.586 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1N 19384700 USHOQQXXWMWTDC-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB O=C(O)[C@H](Sc1ccc(F)cc1)c1ccccc1 19412414 XJOZUMXBUUGLBO-CYBMUJFWSA-N 262.305 3.744 0 40 CHAB in-vitro Nc1ccc(-c2nnc(-c3cccc(Cl)c3)o2)cc1 19771819 YNSNVCRLMJLCCK-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB O=C(O)c1cc(C2CC2)nc2cc(Br)ccc12 21952124 BREZIYRUIIPCKP-UHFFFAOYSA-N 292.132 3.573 0 40 CHAB C[C@@H](NC(=O)c1csc2c1CCCC2)c1ccccn1 28779917 UEHDEJNZFGPFOT-LLVKDONJSA-N 286.400 3.513 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)N1CCc2ccccc21 30872805 WNYSMHJSXRCTPD-CQSZACIVSA-N 295.382 3.606 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](N)CC[C@@]43C)[C@@H]1CC[C@@H]2O 34329022 WMEBIWWUBWHAOJ-YSZCXEEOSA-N 291.479 3.717 0 40 CHAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)O 34975143 OFMVDFXUDAXHFT-UHFFFAOYSA-N 259.739 3.532 0 40 CHAB in-vitro CCc1c(-c2ccc(Cl)cc2Cl)noc1N 36916475 JMKQKJDRGROMTA-UHFFFAOYSA-N 257.120 3.793 0 40 CHAB CCSc1nnc(SCCc2ccccc2)s1 40161898 QOLBAZKBJBQERO-UHFFFAOYSA-N 282.459 3.985 0 40 CHAB O=C(O)c1ncc(C(F)(F)F)cc1-c1ccc(F)cc1 47205272 YYDDIPMJYFUEHC-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1cccc(F)c1 55862644 IRMGNUYFPROYPC-CJNGLKHVSA-N 273.351 3.846 0 40 CHAB O=C(c1cccc(NCc2ccccc2F)c1)N1CCCC1 69529074 ZEQTZCNGOFFVLQ-UHFFFAOYSA-N 298.361 3.674 0 40 CHAB CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)sc1C 72119991 JOJFJMZETNUFEP-UHFFFAOYSA-N 295.791 3.878 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(OC(C)C)nc1 72211905 PXBCMBPYZHHYEH-HNNXBMFYSA-N 262.397 3.806 0 40 CHAB CCCN1CCC[C@@H]1c1cccnc1N1CCCCC1 72216103 IGGSKFWJCFUHCB-MRXNPFEDSA-N 273.424 3.619 0 40 CHAB CCCN1CCCC[C@H]1c1cnc(Cl)cc1C 72217859 LKYVPOPVNWGHPE-ZDUSSCGKSA-N 252.789 3.980 0 40 CHAB Cc1cc([C@H](O)c2ccccc2)cnc1N1CCCCCC1 72222488 QVQWBXYKNHNBJK-GOSISDBHSA-N 296.414 3.852 0 40 CHAB Cc1cccc(C)c1OCc1nccn1CC(F)(F)F 76693849 VDAFANSUQWCUEC-UHFFFAOYSA-N 284.281 3.641 0 40 CHAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccco2)C1 78185220 ZQTIYKDTBHAFIV-UONOGXRCSA-N 269.344 3.606 0 40 CHAB Cc1ccc([C@@H](C)NCCc2ncc(C)s2)s1 95968531 SVXPDOZJOSRSFS-LLVKDONJSA-N 266.435 3.715 0 40 CHAB Cc1c(CNC(=O)N(C)Cc2ccco2)oc2ccccc12 96406881 PUUXHPQKDGOWJW-UHFFFAOYSA-N 298.342 3.676 0 40 CHAB C[C@H](NC(=O)CCC1CCCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102404008 GHASTKLRCQNJHQ-XZDPQHSOSA-N 263.425 3.898 0 40 CHAB Fc1cccc([C@H]2C=C(c3cccs3)Nc3ncnn32)c1 102567309 IRMQWKKDPZFRPR-CYBMUJFWSA-N 298.346 3.535 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)CN1CCCCCC1)C2 103625852 SLDMLDVVHRLHBB-IIDMSEBBSA-N 293.451 3.620 0 40 CHAB O=C([C@@H]1CCCS1)N1CC[C@@H]1c1ccc(Cl)cc1 104178939 SKYPESLLOSBCBG-OLZOCXBDSA-N 281.808 3.509 0 40 CHAB O=C(O)c1cn(C(=O)c2cccc(Cl)c2)c2ccccc12 107280425 ZRJZMZOWMPMDKD-UHFFFAOYSA-N 299.713 3.681 0 40 CHAB Cc1ccnc(NC(=S)NCc2ccccc2Cl)c1 223933083 IZSRUYMSRZHAPA-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)Cc1cc(C)ccc1C 224004074 SCBIGQRFDYJKIN-HNNXBMFYSA-N 297.398 3.732 0 40 CHAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCCCC1 225320703 BWZVACMECDHOPH-UHFFFAOYSA-N 286.202 3.939 0 40 CHAB CC(C)OC(=O)c1ccc(Nc2ccccc2F)c(N)c1 225422045 TVBGWSQUTICOMV-UHFFFAOYSA-N 288.322 3.717 0 40 CHAB CCSc1ccccc1C(=O)Nc1ccn2nccc2c1 225595156 YVDCCRPHRABONP-UHFFFAOYSA-N 297.383 3.699 0 40 CHAB O=C(NCc1ccnc(-c2ccsc2)c1)C1CCCC1 225756119 QAPIOUOIHKVNJA-UHFFFAOYSA-N 286.400 3.617 0 40 CHAB CCCCn1c(CO)ccc1CCc1ccccc1 226028581 ZUOKLFDOLQPRGD-UHFFFAOYSA-N 257.377 3.566 0 40 CHAB Cc1cc(CNCc2ccc(F)s2)n(C2CCCC2)n1 256051080 HQDOGPSBLQKGHS-UHFFFAOYSA-N 293.411 3.797 0 40 CHAB O=Cc1cc2c(Br)c(F)ccc2s1 306899224 ZSODITTYIPHDBG-UHFFFAOYSA-N 259.099 3.615 0 40 CHAB C[C@H](Nc1nc2cnccc2s1)c1ccccc1 703283649 JLXFETIUXRKXNQ-JTQLQIEISA-N 255.346 3.864 0 40 CHAB O=Cc1ccccc1OCc1ccccc1Br 35112 CIKFZQTXYOZYSO-UHFFFAOYSA-N 291.144 3.841 0 40 CHAB COc1cccc(OC)c1C(=O)Nc1cccc(C)c1C 73871 MDAWMLSTOLDUGA-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1 363629 GASJUMUEPWUNCB-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB Clc1ccc(NCc2ccc3c(c2)OCO3)cc1 576238 QNSGPBQRNKLKKS-UHFFFAOYSA-N 261.708 3.681 0 40 CHAB CC[C@H](Oc1ccccc1)C(=O)N1CCCc2ccccc21 579850 DQSQYYDQCHLBJL-SFHVURJKSA-N 295.382 3.823 0 40 CHAB Clc1nc2ccccc2nc1N1CCCCCC1 1681958 HRNLZPGJYPUHDK-UHFFFAOYSA-N 261.756 3.664 0 40 CHAB Cc1cnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 3325478 YAZIEWDIPXSONK-UHFFFAOYSA-N 286.278 3.723 0 40 CHAB C[C@@H]1C(O)[C@@H](C)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 4119585 GGCLDJYYOISOSI-HMWCEDEHSA-N 281.399 3.705 0 40 CHAB CSc1nc(-c2ccc(Br)cc2)c[nH]1 4945307 ZQQYELOVTPLDAY-UHFFFAOYSA-N 269.167 3.561 0 40 CHAB C[C@@H]1CC(C(O)(C(=O)O)C2C[C@@H](C)C[C@@H](C)C2)C[C@H](C)C1 5047885 XELKVMBMOPGCFY-KJODOKLESA-N 296.451 3.947 0 40 CHAB Cc1ccc(NC(=O)c2ccc3snnc3c2)cc1C 5152133 AKEJXROCFMSBSA-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB COc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3)[nH]c2c1 5321868 QGANYZYLUSLAOL-LBPRGKRZSA-N 294.354 3.668 0 40 CHAB Cc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)C[C@H](C)C3)c2c1 5562915 HNRFCWZHAGGJBO-KBPBESRZSA-N 284.403 3.637 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 5865135 LUYGCUZIMDRVFF-LBPRGKRZSA-N 273.307 3.540 0 40 CHAB Cn1c(SC(=O)c2cccs2)nc2ccccc21 7343465 VGKCOBKRJSAJSM-UHFFFAOYSA-N 274.370 3.567 0 40 CHAB Cc1c(Cl)cccc1NCc1ccc(C(=O)O)o1 8729671 NNOLMLRIKRIVMG-UHFFFAOYSA-N 265.696 3.552 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(Cl)[nH]1 13007513 TYTBWMXQWCZFNE-IONNQARKSA-N 275.179 3.630 0 40 CHAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(F)c2)c1C 15366672 UXUMTBQJMYLQBS-CYBMUJFWSA-N 287.334 3.849 0 40 CHAB Fc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 16221827 JUEAGHGVWAPYTJ-IGJMFERPSA-N 298.814 3.954 0 40 CHAB COc1cccc([S@](=O)c2c(C)cc(C)cc2C)c1 18194651 JDHIRIXEBQFKEH-LJQANCHMSA-N 274.385 3.787 0 40 CHAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(N)c2)cc1 19736024 CZBHFDXUFNNRIA-UHFFFAOYSA-N 298.386 3.584 0 40 CHAB CSc1cccc(NC(=O)c2noc3c2CCCC3)c1 20275323 JQYBLPKGHCTGCA-UHFFFAOYSA-N 288.372 3.528 0 40 CHAB Cc1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1C 21796303 LGSJOVZPWKLWBP-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccc(F)cc1 22540224 UBPDTKCGJHZUFI-SECBINFHSA-N 279.261 3.595 0 40 CHAB Cc1cn2c([n+]1Cc1ccc(Cl)cc1)-c1ccccc1C2 26442116 RPABKZUDEDXUNR-UHFFFAOYSA-N 295.793 3.814 0 40 CHAB Cn1cc(C(=O)N(Cc2ccco2)C2CC2)c2ccccc21 29269765 QYLUXNZOHIQVTN-UHFFFAOYSA-N 294.354 3.576 0 40 CHAB Cc1cc(CSc2nc3ccccc3nc2C)on1 29283909 QFMCCNKKIQHYBJ-UHFFFAOYSA-N 271.345 3.527 0 40 CHAB O=C(CC1CCCC1)N1CC=C(c2ccc(O)cc2)CC1 32843067 URCUEDCGSZOTTR-UHFFFAOYSA-N 285.387 3.588 0 40 CHAB CC(C)(C)c1nn(CN(C2CCCC2)C2CC2)c(=S)[nH]1 32923209 DPXWEJXHSAIIIK-UHFFFAOYSA-N 294.468 3.603 0 40 CHAB CC(C)(C)C(=O)CCc1ccc(Br)cc1 36683714 UISHQVCAWSFGMJ-UHFFFAOYSA-N 269.182 3.997 0 40 CHAB in-vitro O=C(O)c1csc(-c2cccc3ccccc23)n1 37309022 AQRUWPVKXHZCKR-UHFFFAOYSA-N 255.298 3.662 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1cc(Cl)ccc1F 37357729 CMKKZZDIHRHTAF-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB Clc1cc(Br)ccc1[C@H]1CCCN1 37366859 YHDGUUIWUXQBQS-SNVBAGLBSA-N 260.562 3.527 0 40 CHAB COCc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C)C1 46031589 NLSWIOXDQCCKOO-GXTWGEPZSA-N 276.380 3.533 0 40 CHAB COC(=O)c1cccc(NC(=O)Nc2ccc(C)c(C)c2)c1 51354150 WRYURYIMBZHWLG-UHFFFAOYSA-N 298.342 3.734 0 40 CHAB O=c1cc(O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 57315550 VSYSHYIHWBTFQK-UHFFFAOYSA-N 277.732 3.616 0 40 CHAB c1ccc(OCCSc2ncnc3ccsc23)cc1 58451704 REXYQJOJSPGQFI-UHFFFAOYSA-N 288.397 3.862 0 40 CHAB CC[C@H](C)C(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1C 72314125 DNDFVZAUWAJTHT-VHSXEESVSA-N 294.782 3.877 0 40 CHAB Cc1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)c(C)c1 73640012 SUTRWLNVSDDRLI-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB Cc1cccc(CSc2nnc(-c3ccccn3)o2)c1 75324134 DMSCXXXSJOXRJW-UHFFFAOYSA-N 283.356 3.732 0 40 CHAB CC[C@]1(C)Cc2ccccc2C(CC(=O)N2CCCCC2)=N1 100806613 LSNISBVAEYVGRM-LJQANCHMSA-N 298.430 3.603 0 40 CHAB O=C(O)C1(c2ccccc2)CCC2(CC1)SCCS2 217636142 ZHCHDUXVRWLYQH-UHFFFAOYSA-N 294.441 3.759 0 40 CHAB COC(=O)[C@H]1Cc2c(n(-c3ccccc3)c3ccccc23)C1 217911612 PNBDUNVBTSNHBI-ZDUSSCGKSA-N 291.350 3.518 0 40 CHAB O=C(C1CCC1)N1CCS[C@@H](c2ccccc2F)CC1 219110256 TZOJZYDRBMPPFF-OAHLLOKOSA-N 293.407 3.632 0 40 CHAB COc1cc(C)c([C@@H](C)NC(=O)C(C)C)cc1C(C)C 223384940 VMDHZQVKZIQYRY-CYBMUJFWSA-N 277.408 3.960 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)NCC2CCCCC2)c1C 224432450 ZQGMDPDBOVDLOR-HNNXBMFYSA-N 289.419 3.767 0 40 CHAB Brc1ccccc1-c1nc2cnccc2o1 226281394 DWUWCVJNVNWXMC-UHFFFAOYSA-N 275.105 3.652 0 40 CHAB Clc1nc2cc(Br)cc(Cl)c2[nH]1 238565900 PQBCZKGTVBCOHV-UHFFFAOYSA-N 265.925 3.632 0 40 CHAB CCCn1ccc(NCc2cn(C3CCCC3)nc2C)n1 256051497 JJZWPVVGSQEXTN-UHFFFAOYSA-N 287.411 3.525 0 40 CHAB CC(C)C(=O)N[C@@H]1C[C@H](C(C)(C)C)O[C@@H]2CCCC[C@@H]12 257245385 IPFVWWGXADMZNJ-GBJTYRQASA-N 281.440 3.521 0 40 CHAB Cc1cccc2c1N(C(C)(C)C(=O)O)C(C)(C)C[C@H]2C 260622009 QIFKIQWVGYVJPG-GFCCVEGCSA-N 275.392 3.950 0 40 CHAB Cc1nn(-c2ccccc2)c2c1C=Nc1ccccc1N2 409369221 ADGBBSFNZZHQHZ-UHFFFAOYSA-N 274.327 3.988 0 40 CHAB Cc1ccsc1CCC(=O)NC1CCC(F)(F)CC1 585398370 WHUZGEIFGLCNNB-UHFFFAOYSA-N 287.375 3.683 0 40 CHAB CCOC(=O)COc1cc(C)c(Cl)c(C)c1Cl 1848350220 NAEYAXCYBKWXPR-UHFFFAOYSA-N 277.147 3.552 0 40 CHAB COc1ccc(Cl)cc1N[C@@H]1OC(=O)c2ccccc21 100213 FXBYSFYGZQTEIQ-CQSZACIVSA-N 289.718 3.630 0 40 CHAB Cc1cc(C(=O)Nc2nc(C)c(C)s2)sc1C 24042505 ASSJYUYVMOHAKN-UHFFFAOYSA-N 266.391 3.691 0 40 CHAB CN1N=C(c2cc(Cl)sc2Cl)CSC1=O 341072 RKYBPHFDUKEMMB-UHFFFAOYSA-N 281.189 3.558 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 3608845 MXZSAHIZJRJVPY-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB Cc1ccc([C@@H](Nc2ccccc2C)C(=O)O)cc1 4244969 AFWBWVUGSWDUEX-OAHLLOKOSA-N 255.317 3.541 0 40 CHAB CCOc1ccc(C(=O)O)cc1/C=C(\C#N)c1ccccc1 6963780 JWRYVLNAINXFER-LFIBNONCSA-N 293.322 3.848 0 40 CHAB Cc1nc(-c2cccc(NC(=S)NC(C)C)c2)cs1 7101727 FJLHFNIWFNYUQS-UHFFFAOYSA-N 291.445 3.813 0 40 CHAB COc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1 7522343 RQDRWKJZCCKUCG-LBPRGKRZSA-N 286.400 3.743 0 40 CHAB Cc1cc[n+](C)c2ccc(SC(F)(F)F)cc12 8782796 FGGBSXZTZMGNRJ-UHFFFAOYSA-N 258.288 3.585 0 40 CHAB Cc1ccc(CCC(=O)N(C)Cc2ccc(C)cc2)cc1 20041427 ARVACQJPNPKOMB-UHFFFAOYSA-N 281.399 3.895 0 40 CHAB CCc1nnc(-c2ccc(NCc3ccsc3)cc2)o1 95429353 GOLCSLIBMBCJNR-UHFFFAOYSA-N 285.372 3.973 0 40 CHAB Cc1cccc(CNC(=O)[C@H](C)Oc2cccc(C)c2C)c1 20489237 OCRGLBWDHBSMPJ-INIZCTEOSA-N 297.398 3.696 0 40 CHAB CCc1ccc2occ(CC(=O)Oc3cccnc3)c2c1 27587470 VQXKRPJSKMNPLM-UHFFFAOYSA-N 281.311 3.538 0 40 CHAB COCC(=O)Nc1ccccc1Oc1ccccc1Cl 12789595 XMDUVBZBVFNVSX-UHFFFAOYSA-N 291.734 3.717 0 40 CHAB CCc1noc(-c2ccc(NC(=O)C3CCCCC3)cc2)n1 64580049 DDAUKPDFHREFJE-UHFFFAOYSA-N 299.374 3.818 0 40 CHAB C[C@@H]1CCN2C(c3ccc(Cl)cc3)=CSC2=N1 3354339 XTNLAKMNNFQJAZ-SECBINFHSA-N 264.781 3.835 0 40 CHAB COc1ccc(C)cc1NC(=S)Nc1ccc(C)cn1 13837566 LBLVHQPRPIBPML-UHFFFAOYSA-N 287.388 3.516 0 40 CHAB Cc1ccc2c(c1)c1ncnc(N3CCC(C)CC3)c1n2C 5516507 VCAZFHRTOSHBLO-UHFFFAOYSA-N 294.402 3.666 0 40 CHAB Nc1nc(=S)[nH]c2sc3c(c12)-c1ccccc1CC3 24545263 PZIBFTLUXFFGSF-UHFFFAOYSA-N 285.397 3.702 0 40 CHAB C[C@H](NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)c1ccccn1 97010332 BYNYSWRJGOMANI-KEYYUXOJSA-N 295.386 3.545 0 40 CHAB c1ccc(Oc2cccc(N[C@@H]3CCSC3)c2)nc1 97108570 JSEBRFOMEOGPES-CYBMUJFWSA-N 272.373 3.791 0 40 CHAB Cc1cc(-c2nnc(NCc3cccs3)o2)c(C)o1 97114573 JGNPIHZAZVXVNJ-UHFFFAOYSA-N 275.333 3.620 0 40 CHAB O=C(CNCc1ccco1)c1ccc(-c2ccccc2)cc1 89851156 ATHYGTDUPOYQGO-UHFFFAOYSA-N 291.350 3.919 0 40 CHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2)C1=O 409017607 VHVTXWUUARHSBM-LZAIMSLLSA-N 261.346 3.521 0 40 CHAB CCc1cccnc1[C@@H](C)NC1(c2ccccc2)CC1 507464057 WHKBHBYUYDCKKZ-CQSZACIVSA-N 266.388 3.984 0 40 CHAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@H]1CCC2=O 3881953 JRIZOGLBRPZBLQ-HBPKQKSZSA-N 272.388 3.697 0 40 CHAB biogenic Nc1ccc(Nc2cccc(C(F)(F)F)c2)c(C(=O)O)c1 37930299 DCBNPAHQKHACDT-UHFFFAOYSA-N 296.248 3.729 0 40 CHAB O=C(NCc1ccc(F)cc1Cl)c1cccc(F)c1 72331473 GSIAUJXPABDTOK-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N)n2)cc1 71977352 QYBMESJHMWNYDU-UHFFFAOYSA-N 291.354 3.710 0 40 CHAB CC(C)N1CCC[C@H]1c1ccc(NC2CCCC2)nc1 72213958 HDYUWITYBLBAHW-INIZCTEOSA-N 273.424 3.981 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)CCc1ccc(F)cc1 225376801 YOATVHUKDVAAJI-UHFFFAOYSA-N 299.389 3.896 0 40 CHAB CC[C@@H](C)C(=O)c1ccc(Br)c(C)c1 229248741 GFPHXVVPVFWBCY-MRVPVSSYSA-N 255.155 3.986 0 40 CHAB C[C@H]1CCCCN1C(=O)[C@@H](C)n1cc(-c2ccccc2)cn1 227165679 RFPUTBXUTQVZHD-LSDHHAIUSA-N 297.402 3.512 0 40 CHAB CCCCOc1cccc([C@@H](C)NCCCOC)c1 225166688 OVLCUWUURLYGNN-CQSZACIVSA-N 265.397 3.553 0 40 CHAB Cc1ccc2oc(-c3cccc(-n4cnnc4)c3C)nc2c1 45920647 LLMXADYTOZVLAO-UHFFFAOYSA-N 290.326 3.692 0 40 CHAB CC(C)Oc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 49229616 DMGLXTRACMZNFP-UHFFFAOYSA-N 287.334 3.794 0 40 CHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 96835909 CEYPEKMVWQDRSP-UWVGGRQHSA-N 298.169 3.673 0 40 CHAB COc1cccc(/C=C/CCSCc2nnc(C)o2)c1 96467887 NDGDJJULWFNGOG-ZZXKWVIFSA-N 290.388 3.723 0 40 CHAB C[C@H](NC(=O)[C@@H](C)n1cc(-c2ccccc2)cn1)C(C)(C)C 257173276 IFRMUHOROULFRS-KGLIPLIRSA-N 299.418 3.662 0 40 CHAB Cc1ccc(C(=O)CSc2nc3ccccc3o2)c(O)c1 5542535 IDQLJDFAGQWGNT-UHFFFAOYSA-N 299.351 3.817 0 40 CHAB COc1ccc(NC(=S)Nc2cccc(C)c2)cc1 5798975 YWIMQYCPFOVIAL-UHFFFAOYSA-N 272.373 3.813 0 40 CHAB CC(C)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 13094490 PXZVYCYPANYVRA-UHFFFAOYSA-N 283.327 3.761 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1C 13582327 YRGXHXCZEJOHTH-UHFFFAOYSA-N 285.343 3.655 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 13710402 VTUWREWFLHJQGL-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1cc(F)ccc1F 16524728 CNKOOLONHYCNGF-INIZCTEOSA-N 287.309 3.772 0 40 CHAB Cc1ccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 17334741 NPPLYLZQDDVNQB-UHFFFAOYSA-N 283.415 3.623 0 40 CHAB O[C@@H](c1ccccc1)c1ccccc1[C@H](O)c1ccccc1 18205313 LLYOFPFZFTWUGU-BGYRXZFFSA-N 290.362 3.850 0 40 CHAB F[C@H]1[C@](F)(Cl)[C@](F)(Cl)[C@](F)(Cl)[C@@]1(F)Cl 253475999 FQFOJXUQZIYKKN-PTSYSAGVSA-N 297.865 3.957 0 40 CHAB O=C(Nc1cccc2ncccc12)c1cccnc1Cl 556418 ZFUIMTCEWXXVLR-UHFFFAOYSA-N 283.718 3.536 0 40 CHAB CCOC(=O)c1sc(N[C@H](C)c2ccccc2)nc1C 6671243 WISMASNKFRDHNK-SNVBAGLBSA-N 290.388 3.801 0 40 CHAB Cc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1 13325364 ADBBLRDKFDPNCO-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB CCNC(=S)Nc1ccc(Nc2ccccc2)cc1 7518618 BIJUQVRAMUDJCC-UHFFFAOYSA-N 271.389 3.737 0 40 CHAB CC(C)(C(=O)N1CCc2sccc2C1)c1ccccc1 32904135 IMQAYFRHGOJUNP-UHFFFAOYSA-N 285.412 3.611 0 40 CHAB C[C@H](NC(=O)C1CCCC1)c1cc2ccccc2o1 21933476 QINKKYBLUWRTRE-NSHDSACASA-N 257.333 3.800 0 40 CHAB Cc1ccc(-c2c(C)sc3ncn(C)c(=O)c23)cc1C 149234 DUPBIBPLOOYTJL-UHFFFAOYSA-N 284.384 3.587 0 40 CHAB CCOc1ccccc1C(=O)NCCC1=CCCCC1 1006437 TWSSELSBDOAMIM-UHFFFAOYSA-N 273.376 3.706 0 40 CHAB CC(C)CNCC(=O)N(C1CCCCC1)C1CCCCC1 251377 RIACBHDSQZAQOT-UHFFFAOYSA-N 294.483 3.726 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nccs1 1738359 VVNDXMZPUUOXRV-UHFFFAOYSA-N 287.266 3.806 0 40 CHAB CCc1ccc(NC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 79074409 GJXONWBBBHWWHH-UHFFFAOYSA-N 289.766 3.755 0 40 CHAB CN(C(=O)c1ncc(-c2ccccc2)o1)c1ccccc1 8737032 DYHCABUHINNHFE-UHFFFAOYSA-N 278.311 3.618 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)N[C@@H]1CCCC[C@H]1C 10370636 FHDNOEFTTDQUOC-IJEWVQPXSA-N 274.408 3.968 0 40 CHAB Cc1nc2ccccc2nc1S[C@@H]1CCCCC1=O 28190891 MXWAMHZXKBIHKE-CQSZACIVSA-N 272.373 3.542 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]45C[C@H]4CC[C@]35C)[C@@H]1CCC2=O 118936212 ABXKYAJHLPGJLD-PVIQAVLISA-N 286.415 3.777 0 40 CHAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)O 11893760 CHESPMUHLLVPAV-RXMQYKEDSA-N 251.134 3.559 0 40 CHAB Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)no1 2746768 ASEPIEBEFGODCK-RMKNXTFCSA-N 270.332 3.758 0 40 CHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C)c1 20461035 STLQDCPTDPQXHH-KRWDZBQOSA-N 299.370 3.800 0 40 CHAB Cc1nc(/C=C/C(=O)N[C@H](c2ccccc2)C2CC2)cs1 12230410 ULYVBPPDZOJPNT-OAGJVSPASA-N 298.411 3.732 0 40 CHAB Clc1ccc2nc(CSc3ccccn3)cn2c1 12573011 HYJKMLWPKCGRLN-UHFFFAOYSA-N 275.764 3.675 0 40 CHAB COc1ccc(OC)c2c1[C@@H]1[C@@H]3C4C5[C@@]16CC=CC[C@]56[C@H]2[C@@H]43 104289921 XMXRUOZBHCNPLA-WLVWMBSGSA-N 292.378 3.727 0 40 CHAB CCOC(=O)c1cc(N)ccc1Nc1ccc(C)cc1C 109769014 SINOFIKIOKJNOY-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB C[C@@H](Sc1nnnn1C1CC1)c1ccccc1Cl 48396198 GFNBPIRDYDNHRU-MRVPVSSYSA-N 280.784 3.515 0 40 CHAB Cc1cc(NC(=O)[C@@H]2CC=CCC2)n(Cc2ccccc2)n1 12849143 MSSPQXXQULBLGV-MRXNPFEDSA-N 295.386 3.535 0 40 CHAB CC[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1OC 27130706 PSHKEORNUWMRBK-ZFWWWQNUSA-N 273.376 3.619 0 40 CHAB CCCCC[C@H](C)NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)O 4651532 ZKMOMRBJRDQHJW-KKUMJFAQSA-N 295.423 3.519 0 40 CHAB c1cnc2c(SCc3ccncc3)cccc2c1 16448844 KPYLQPRPPUHNGX-UHFFFAOYSA-N 252.342 3.922 0 40 CHAB Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1F 8163168 IOLKYOORMAFTGB-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB CC(C)(C)c1cc(NC(=O)Nc2ccccc2F)no1 17007730 IQVJJEJCWFJAIT-UHFFFAOYSA-N 277.299 3.755 0 40 CHAB C[C@@H](NC(=O)NCc1ccccc1)c1ccccc1Cl 17115550 DGOPZBVHHOQFHU-GFCCVEGCSA-N 288.778 3.900 0 40 CHAB C[C@@H]1CCC[C@H](N2CCN(C[C@H]3CC=CCC3)CC2)C1 19900121 PRIBEPJSCZVEBS-SQNIBIBYSA-N 276.468 3.539 0 40 CHAB CC(C)c1noc2nc(C3CC3)cc(C(=O)NC3(C)CC3)c12 72287921 JTLLEEXERQFBHL-UHFFFAOYSA-N 299.374 3.506 0 40 CHAB O=C(Nc1ccon1)c1ccc(-c2ccccc2)cc1 28227312 RLMZZZCGJVGHNO-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB CSc1nc(-c2ccccc2)c2nc(C)sc2n1 35682704 XCMWIAFUHKQHKI-UHFFFAOYSA-N 273.386 3.784 0 40 CHAB COc1cccc(NC(=S)Nc2cccc(F)c2C)c1 71325976 WVJWKXGRNMSIKH-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CC(C)N1CCC[C@@H](Cc2ccnc(Cl)c2)CC1 72343844 LBEJKSLNZLPGAT-CYBMUJFWSA-N 266.816 3.788 0 40 CHAB Clc1ccccc1-c1cc(-c2cccnc2)[nH]n1 216697088 JOXRYVZHPQBUHU-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB CCN(CC)C(=O)c1cc(C(C)C)c(OC)cc1C 225654358 MLRLHGLSUNEBAD-UHFFFAOYSA-N 263.381 3.609 0 40 CHAB COc1ccc([C@H](O)c2c(C)ccc3ccccc23)cc1N 226294426 YQLDDVHKPVBVNK-IBGZPJMESA-N 293.366 3.821 0 40 CHAB CC1(C)C[C@H](NC(=O)c2cccc(F)c2)c2ccccc2O1 224958638 ZURFRJNFLGNTSD-HNNXBMFYSA-N 299.345 3.858 0 40 CHAB COc1cc(C)c(C(=O)N2CCCCC2)cc1C(C)C 225654428 SVCNIYICYBUBFF-UHFFFAOYSA-N 275.392 3.753 0 40 CHAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1cc(F)cc(F)c1)OC2(C)C 257264674 LVOUTNJHDFJSRJ-MPCLRFEOSA-N 296.357 3.838 0 40 CHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)c1ccc(Cl)c(F)c1 95634040 ONEKAMQWORJZKD-ZJUUUORDSA-N 284.714 3.553 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1OC 95916257 CRUJQRGKZYFBLX-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB CNc1cccc(-c2ccc([C@H]3C[C@@H](O)C3)cc2)c1 904805944 POUFNPOXRIDXER-WOVMCDHWSA-N 253.345 3.634 0 40 CHAB CCc1c(-c2ccccc2)[nH]c2c(OC)cccc2c1=O 685938013 AEYPRFDAILEYIT-UHFFFAOYSA-N 279.339 3.766 0 40 CHAB Cc1cccc(NC(=O)N(Cc2ccccn2)C2CC2)c1C 40525347 UOMCIBAQIMVXGI-UHFFFAOYSA-N 295.386 3.895 0 40 CHAB O=C1CCC(c2cccs2)=NN1c1ccc(Cl)cc1 38885565 AWHYIMLXVHYKFI-UHFFFAOYSA-N 290.775 3.933 0 40 CHAB CCSCc1cccc(N[C@@H](C)c2nnc(C)o2)c1 76083824 ABGGGKDPFKMYNX-JTQLQIEISA-N 277.393 3.804 0 40 CHAB C[C@@H](c1nc(-c2cccs2)no1)N(C)Cc1ccco1 58355996 MBPSUASWBXLVMU-JTQLQIEISA-N 289.360 3.584 0 40 CHAB C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(F)cc1 12342215 UWBNPVDYTHSVEP-IHRRRGAJSA-N 293.382 3.634 0 40 CHAB CCOC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 13566304 FDEWBGPVHBKZJP-ZDUSSCGKSA-N 275.348 3.569 0 40 CHAB CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1 60195293 SRMOCWGDHLDWPG-UHFFFAOYSA-N 287.746 3.554 0 40 CHAB in-vitro O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccsc1 12821510 FMLKTYHACGRTPA-UWVGGRQHSA-N 277.311 3.599 0 40 CHAB CCOC(=O)CCCCCCOCc1ccccc1 43503420 KVLBJHHKGKHXAT-UHFFFAOYSA-N 264.365 3.717 0 40 CHAB CC[C@H]1c2ccsc2CCN1Cc1cc(C)on1 40012125 KEFKSLIQUMOCGK-ZDUSSCGKSA-N 262.378 3.554 0 40 CHAB CCOc1ccc(Oc2coc3cc(O)ccc3c2=O)cc1 407247 ORHFQEJMEMWWLJ-UHFFFAOYSA-N 298.294 3.690 0 40 CHAB biogenic COc1ccc(-c2noc(-c3cccc(C)c3)n2)cc1 471760 WQDHZZXPBPLFEK-UHFFFAOYSA-N 266.300 3.721 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1Cl 104100692 AZQWRXSYQMAYBV-OBJOEFQTSA-N 277.795 3.783 0 40 CHAB O=c1oc(-c2cccc(C(F)(F)F)c2)nc2ccccc12 31907 CNBFHTUMMKLYON-UHFFFAOYSA-N 291.228 3.874 0 40 CHAB CCn1c2ccccc2c2cc([C@@H](C)NC=O)ccc21 485736 YUCFQWHWDZHHFY-GFCCVEGCSA-N 266.344 3.621 0 40 CHAB biogenic O=C(NCc1ccoc1)Nc1ccc(C(F)(F)F)cc1 47702163 HHAOMUCGWKILKA-UHFFFAOYSA-N 284.237 3.620 0 40 CHAB O=C1CCN(C2(c3ccccc3)CCCCC2)CC1 1688546 WECCNDJWFKQPSD-UHFFFAOYSA-N 257.377 3.511 0 40 CHAB O=C(c1cccc(Cl)c1)c1cccc(C2OCCO2)c1 43212541 QCTUYKBYQIKPAJ-UHFFFAOYSA-N 288.730 3.616 0 40 CHAB Cc1cccc(C)c1NC(=O)C(C(F)(F)F)C(F)(F)F 3138368 WPGQRWLQVTXLFA-UHFFFAOYSA-N 299.214 3.983 0 40 CHAB Cc1ccc(Sc2nc(C)c3c(n2)CCC3)cc1 1394123 YHMUEPKKSGFZFW-UHFFFAOYSA-N 256.374 3.733 0 40 CHAB Cc1ccc(NC(=O)COc2cccc(Cl)c2)c(C)c1 3516071 JZTZLNMSCNWUCO-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB O=C(Nc1nc2ccccc2s1)[C@H]1C[C@H]2CC[C@@H]1C2 4975537 XFJCAJSVGYJLDR-AXFHLTTASA-N 272.373 3.671 0 40 CHAB CC(C)(C)c1cc(O)n2ncc(-c3ccc(F)cc3)c2n1 100756913 PAEXDVMYHZGCNV-UHFFFAOYSA-N 285.322 3.539 0 40 CHAB CCC(CC)(CC(=O)Nc1ccccc1Cl)C(=O)O 11164955 UONAFQYYVISLNT-UHFFFAOYSA-N 283.755 3.560 0 40 CHAB Cc1ccc(Cl)c(OCc2ccc(C(=O)O)cc2)c1 2521411 RQARZIDRPUAEMF-UHFFFAOYSA-N 276.719 3.926 0 40 CHAB Cc1ccc(C)c(C(=O)c2ccc(CN3CCC3)cc2)c1 2514622 MLTKLKVURKRXAN-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB Cc1cc(C(=O)OCC(=O)c2cccc(Cl)c2)c(C)o1 3272210 RAESMSSZLGGUMK-UHFFFAOYSA-N 292.718 3.590 0 40 CHAB NC1(c2cccc(Br)c2)CCCCC1 37382639 GXIJPEOUTSNTTJ-UHFFFAOYSA-N 254.171 3.567 0 40 CHAB COc1ccc(C(=O)c2oc3cc(OC)ccc3c2C)cc1 3255697 BOFCPZPJAQVLMT-UHFFFAOYSA-N 296.322 3.989 0 40 CHAB Cc1[nH]ncc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 37898560 XBBKJZBBNCYZPY-VIFPVBQESA-N 283.297 3.588 0 40 CHAB Cc1nc(C)c(C(=O)N(C)[C@H]2CCc3ccccc32)s1 27827180 YPZASVBFGPWMTF-AWEZNQCLSA-N 286.400 3.519 0 40 CHAB C[C@@H]1CCCCN1C(=O)c1csc(-c2cccs2)n1 23192067 QPVRNNKHNCNKPL-SNVBAGLBSA-N 292.429 3.886 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCCC(C)(C)C1 20104503 HKQYUEZNXGKVNE-MRXNPFEDSA-N 289.419 3.801 0 40 CHAB CCc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 3473274 KFRAGMBOSGXTFZ-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB CCOc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 13632586 CTDJJISDGKUFFT-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB O=C(/C=C/C1=Cc2ccccc2OC1)Nc1ccc(F)cc1 5034407 JPWRDWOWRXAZGD-BJMVGYQFSA-N 295.313 3.796 0 40 CHAB O=C(/C=C/c1cccc(Cl)c1)NC1CCCCC1 6330848 ZJMYHJJWXYGHKO-MDZDMXLPSA-N 263.768 3.802 0 40 CHAB Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1c(C)cccc1C 19736129 KEIWTRFGJKQINN-CQSZACIVSA-N 298.386 3.600 0 40 CHAB C[C@@H]1CNc2ccccc2N(Cc2ccccc2)C1 71790281 OYAURBRKUKRSEP-CQSZACIVSA-N 252.361 3.755 0 40 CHAB in-vitro CCc1ccc(NC(=O)N2CCc3ccccc3C2)cc1 15941093 IXGSPDQACZJTAQ-UHFFFAOYSA-N 280.371 3.839 0 40 CHAB COc1ccccc1OC(=O)CCc1c[nH]c2ccccc12 7668370 WEPJUIDZBSWHPD-UHFFFAOYSA-N 295.338 3.715 0 40 CHAB CCCC[C@@H](CC)CC(=O)Nc1c(C)n[nH]c1C 71910144 VNKRWTKURUFIJA-GFCCVEGCSA-N 251.374 3.572 0 40 CHAB CC(C)n1cc(NC(=O)CCc2c[nH]c3ccccc23)cn1 69559674 GRDWDZFRKYFADY-UHFFFAOYSA-N 296.374 3.517 0 40 CHAB COCCC1(CNC(=O)Nc2ccccc2Cl)CCC1 89410126 UMOYCUJMAHZBTL-UHFFFAOYSA-N 296.798 3.668 0 40 CHAB FC(F)(F)c1cc(NCc2ccccc2)ccn1 63110804 DKGTZUMOPIOEOJ-UHFFFAOYSA-N 252.239 3.713 0 40 CHAB CCn1c(-c2ccc(Cl)cc2)c(C)sc1=N 408574743 COQKVFPGMQUJGU-UHFFFAOYSA-N 252.770 3.678 0 40 CHAB O=C(c1ccc(Cl)cc1C(F)(F)F)C(F)F 309219663 NMFBMXLFTDFVCA-UHFFFAOYSA-N 258.573 3.807 0 40 CHAB O=C(CSCc1ccccc1F)Nc1ccccc1F 32793701 GOUTUOLOLKRDNR-UHFFFAOYSA-N 293.338 3.837 0 40 CHAB Cc1ccccc1C(=O)NCC(c1ccco1)c1ccco1 675007650 DDZIYBZNXWSHIL-UHFFFAOYSA-N 295.338 3.743 0 40 CHAB Cc1ccoc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 32841883 QENICKRCIISLSK-NSHDSACASA-N 261.296 3.560 0 40 CHAB Cc1[nH]c2c(C)cc(Cl)cc2c1CCNC(=O)C(C)C 32611053 JOVWGFPORUGPET-UHFFFAOYSA-N 292.810 3.753 0 40 CHAB CCn1c2ccc([C@H](C)O)cc2c2cc([C@@H](C)O)ccc21 73634190 DLTNNSFHHCRQFD-TXEJJXNPSA-N 283.371 3.921 0 40 CHAB COc1ccc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C 72206466 DOMKTNOLNDBJHP-ZDUSSCGKSA-N 275.392 3.833 0 40 CHAB O[C@@H](c1ccc(F)c(Br)c1)C1CCCC1 82676990 WABIDLIMDOPGSZ-GFCCVEGCSA-N 273.145 3.812 0 40 CHAB Cc1cccc([C@@H](NC(=O)C(C)C)c2ccccc2)c1 225344294 YQRHSMPAJWGHQZ-KRWDZBQOSA-N 267.372 3.857 0 40 CHAB CC(C)c1ccc(COCC[C@@H]2CCCNC2)cc1 48895424 WJVNPDHPSXGTIF-HNNXBMFYSA-N 261.409 3.716 0 40 CHAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1cscn1 88465764 QDMOSTMAWXZSGT-UHFFFAOYSA-N 276.361 3.533 0 40 CHAB C[S@@](=O)Cc1ccc(Cl)c(NCCCCCF)c1 225433154 BICZPNHBUQSWIV-GOSISDBHSA-N 291.819 3.770 0 40 CHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(Cl)c1 225621067 SYHVAEMDADPXHO-OAHLLOKOSA-N 299.798 3.882 0 40 CHAB Clc1ccc([C@@H]2CCCN2)cc1Br 84623590 QMUNUBDQYDYHAV-JTQLQIEISA-N 260.562 3.527 0 40 CHAB Cc1cccc(CCNc2ncnc3ccccc23)c1 51670561 DIMYRJQLORMCOD-UHFFFAOYSA-N 263.344 3.593 0 40 CHAB CCc1cccc(CC)c1NC(=O)NCCc1ccncc1 96475564 MGHFWMWVDYQTTE-UHFFFAOYSA-N 297.402 3.571 0 40 CHAB CCOCc1ccc(CNc2nc3ccccc3o2)cc1 26775649 WOGPHAHOUXXUHN-UHFFFAOYSA-N 282.343 3.976 0 40 CHAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1O 76273879 NEQTXCJHYLGDNA-UHFFFAOYSA-N 277.751 3.975 0 40 CHAB Cc1ccc([C@H]2CSCCN2Cc2scnc2C)o1 93819141 QHYASDZNXZEGFO-GFCCVEGCSA-N 294.445 3.643 0 40 CHAB CCCCCCOC(=O)Nc1nnc(SCC)s1 5645654 RDJXLOKWEVSPBX-UHFFFAOYSA-N 289.426 3.779 0 40 CHAB CCC1=CC[C@H]2C(=O)[C@@H]3CC(CC)=CC[C@H]3C(=O)[C@H]2C1 5707163 GOMMMKUEQAMXCG-FPCVCCKLSA-N 272.388 3.863 0 40 CHAB Cc1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 12082521 ZEWRLRMHIURZRD-UHFFFAOYSA-N 274.176 3.712 0 40 CHAB Cc1ccc2c(c1)c(-c1csc(N)n1)c(C)n2C 13207068 CDKFUNIZNNFLAW-UHFFFAOYSA-N 257.362 3.501 0 40 CHAB Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)c(C)c1 15744980 CZWLAVYRVRSRAR-OAHLLOKOSA-N 267.372 3.837 0 40 CHAB CCCNC(=O)N(Cc1ccccc1)Cc1ccccc1 6879749 NJMYRGCVVLWPOX-UHFFFAOYSA-N 282.387 3.808 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1F 5425924 HJIKROTZNFRHDR-CQSZACIVSA-N 287.359 3.793 0 40 CHAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(Cl)cc1 13391052 CVXPUTQMLYBQNL-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB Cc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1C 10253828 RETCKOBVEMIRGW-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CC1CCN(C(=O)Nc2cccc(Br)c2)CC1 40095236 JMZOTLMRBGADBN-UHFFFAOYSA-N 297.196 3.713 0 40 CHAB O=C1CCCC[C@@H]1Sc1nc(CCC2CCCC2)n[nH]1 31796957 ORIDALJWWPQSOO-ZDUSSCGKSA-N 293.436 3.531 0 40 CHAB OCc1ccccc1Oc1ccc(Br)cc1 20435353 UKWPPTUEXZZOHM-UHFFFAOYSA-N 279.133 3.734 0 40 CHAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)NCC2 20506946 DRUZNOUZPRHPOS-LJQANCHMSA-N 297.398 3.719 0 40 CHAB O=C(N[C@@H]1CCSc2c(F)cccc21)[C@H]1CC=CCC1 32837310 GZSIQZPAOXBNDY-SMDDNHRTSA-N 291.391 3.835 0 40 CHAB Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)n1C 32899511 ZQBPYEMVCVARPF-UHFFFAOYSA-N 284.388 3.904 0 40 CHAB CCn1c(NCc2cccc(OC)c2)nc2ccccc21 809658 STHWZAGYVMRVRG-UHFFFAOYSA-N 281.359 3.677 0 40 CHAB C[C@@H](CCc1ccccn1)C(=O)[C@@H](C)CCc1ccccn1 1675615 DYMMECNRDCHTAE-HOTGVXAUSA-N 296.414 3.883 0 40 CHAB C[C@@H]([C@H](O)c1cc2c(c3ccccc13)CCCC2)N(C)C 1706354 SDPZTOYYDSQEQV-DJJJIMSYSA-N 283.415 3.702 0 40 CHAB CCC(CC)(C1CCC(O)CC1)C1CCC(O)CC1 1707471 HDGUFVPDINGSDP-UHFFFAOYSA-N 268.441 3.895 0 40 CHAB CC[C@@]1(C)C[C@@H]([C@@H](CCN)c2ccccc2)CCO1 4027698 XFYDEOVNLBSXAJ-ULQDDVLXSA-N 261.409 3.714 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)s1 7945870 COXFKZGDJJPLKZ-UHFFFAOYSA-N 279.748 3.856 0 40 CHAB Clc1cccc2sc(NC[C@@H]3CCCO3)nc12 26423891 RBQANZFFIULCIZ-QMMMGPOBSA-N 268.769 3.541 0 40 CHAB CCOc1ccc(-c2nc(-c3cccs3)no2)cc1 35672122 UKUXGNJMGQEHRX-UHFFFAOYSA-N 272.329 3.864 0 40 CHAB CC(C)(C)c1csc(NC(=O)c2ccccc2)n1 8314171 YYKXDVXRLGFMCU-UHFFFAOYSA-N 260.362 3.693 0 40 CHAB Cc1ccccc1C(=O)Nc1cc(-c2ccccc2)no1 27664315 BGJCGVFBKBEWBE-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cccnc1 12537827 BTSVGUPFVKGHCA-LLYBFZRZSA-N 298.411 3.692 0 40 CHAB C[C@@H](CC[C@H]1CCCO1)NCc1cnc(C2CCC2)s1 95415436 APIFIPSYFVBPMC-GXTWGEPZSA-N 294.464 3.848 0 40 CHAB c1cc(CN[C@H]2CCSc3ccccc32)c2c(c1)OCO2 36325103 KSTOMGILILMATR-AWEZNQCLSA-N 299.395 3.742 0 40 CHAB CCCCNC(=O)C1c2ccccc2Oc2ccccc21 2310884 IMVLRNUNYNDBNM-UHFFFAOYSA-N 281.355 3.841 0 40 CHAB CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 45925359 VPLFCJQVVVAHDG-UHFFFAOYSA-N 269.373 3.735 0 40 CHAB Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 2742110 GGBQGOXIYILKRV-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB O=C(CSc1ccc(Cl)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100332801 SWHGHAGMKCRYNT-GYSYKLTISA-N 295.835 3.737 0 40 CHAB CC[C@H](C)NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C 48256123 XGHYIFSECLHDAW-LBPRGKRZSA-N 291.395 3.510 0 40 CHAB O=C(CCn1ccc2ccc(F)cc21)Nc1ccc(O)cc1 13726848 QDDMOAXJKCCZHU-UHFFFAOYSA-N 298.317 3.515 0 40 CHAB Cc1ccc2c(CN3C[C@@H](C)C[C@H](C)C3)cc(=O)oc2c1 5163218 GYQYYSLJMFFRTC-KBPBESRZSA-N 285.387 3.579 0 40 CHAB biogenic Cc1cc(NCc2ccc3c(c2)OCO3)c2ccccc2n1 26134595 GQMNKTDMBHULQX-UHFFFAOYSA-N 292.338 3.884 0 40 CHAB CCCCn1c2ccc(Cl)cc2c2nnc(S)nc21 96319323 QURSBIPFMZVZDA-UHFFFAOYSA-N 292.795 3.722 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)CN(C(C)C)C1CC1 26940434 TYQGYRHBGASCJS-UHFFFAOYSA-N 288.435 3.930 0 40 CHAB Cc1noc(C)c1NC(=O)N[C@H](c1ccccc1)C1CCC1 71857074 DUPWONNGKYJNDH-MRXNPFEDSA-N 299.374 3.954 0 40 CHAB O=C(O)c1cc2c(C(F)(F)F)ccc(Cl)c2[nH]1 16941612 QWNKFHSKFIOVSK-UHFFFAOYSA-N 263.602 3.538 0 40 CHAB COc1ccc(CN[C@@H]2CCC(C)(C)C2)cc1F 95982768 RQDYLHMWWDOEIA-GFCCVEGCSA-N 251.345 3.503 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN2CCCC2)o1 505308445 QJNAFUPDAXBVGQ-UHFFFAOYSA-N 259.324 3.990 0 40 CHAB C[C@@H]1CCN(C(=O)c2ccncc2)c2ccccc2S1 36396820 NOUOEJLESFIWBZ-GFCCVEGCSA-N 284.384 3.613 0 40 CHAB Cc1ccc(C)c(OCC(=O)NC[C@H](C)c2ccccc2)c1 36735558 TYBVUTGFIOVOPN-INIZCTEOSA-N 297.398 3.602 0 40 CHAB O=C1C=C/C(=N\Nc2cccc(Cl)c2)c2ccccc21 34410692 JCTAEPXHEPFLBM-XDJHFCHBSA-N 282.730 3.909 0 40 CHAB CC(C)CNc1ncccc1[C@H]1CCCN1CC(C)C 72213258 LCZCELLFRAPVLK-MRXNPFEDSA-N 275.440 3.942 0 40 CHAB FC(F)(F)Oc1ccccc1C[C@H]1CCCCNC1 77293298 VMCUMPJCUKKCAZ-LLVKDONJSA-N 273.298 3.517 0 40 CHAB in-vitro CCCO[C@H](COC)c1ccc(Br)cc1 72220320 SELAMXKQGVMVCA-GFCCVEGCSA-N 273.170 3.563 0 40 CHAB Cc1ccc(-c2nnc([C@H]3CCN(CCC(C)C)C3)o2)cc1 49169928 ZPXXPLBSCIBGNL-INIZCTEOSA-N 299.418 3.880 0 40 CHAB biogenic,in-vitro Cc1cccnc1NC(=S)NC1CCCCCCC1 225518354 CFAYRWRXLGGJGX-UHFFFAOYSA-N 277.437 3.789 0 40 CHAB Cc1ccc(CC(=O)N[C@H](C)CCc2ccccc2)c(C)c1 224954708 IKMWURLYKPFZQJ-QGZVFWFLSA-N 295.426 3.983 0 40 CHAB CCOC(=O)c1oc2cccc(OCC(C)C)c2c1C 85395598 SOYIXXHJGOUODF-UHFFFAOYSA-N 276.332 3.953 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)C(C)C)c1 47209465 XHSUEPFMXMAWRW-CQSZACIVSA-N 277.408 3.658 0 40 CHAB Clc1ccc(OCC[C@@H]2CCCCN2)c2ncccc12 42771410 GKFCJSJJAXXTAS-LBPRGKRZSA-N 290.794 3.799 0 40 CHAB CCc1cccc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 48367065 YXQSVDIOAHTHLF-CABCVRRESA-N 296.414 3.927 0 40 CHAB Cc1ccccc1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225015060 NGWLYUHNEMKFNI-HNNXBMFYSA-N 290.746 3.723 0 40 CHAB CCOc1ccc([C@H]2COc3ccccc3N2)cc1 96531135 UIZCQVRCOIEXMN-OAHLLOKOSA-N 255.317 3.631 0 40 CHAB Cc1nccc([C@H]2CCCN(Cc3sccc3C)C2)n1 257288445 PUFOGGCWYZDSAJ-AWEZNQCLSA-N 287.432 3.535 0 40 CHAB c1cc([C@H]2CCCN2Cc2ccsc2)n2ccnc2c1 257215963 CSLJTBNOEUKIDP-CQSZACIVSA-N 283.400 3.733 0 40 CHAB CCn1nccc1-c1cccc([C@@H]2CCCN2C(C)C)n1 257322165 WEVDAJZBOIQPKK-INIZCTEOSA-N 284.407 3.510 0 40 CHAB C[C@H](c1cccc(Cl)c1)[S@@](=O)CC1CCOCC1 95439196 DLZSBZWJRXQXOD-ADLMAVQZSA-N 286.824 3.576 0 40 CHAB CCc1cccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 11658472 NNXZQMFDNDGMLJ-CYBMUJFWSA-N 299.370 3.664 0 40 CHAB Cc1cc2n(n1)S[C@H](Nc1cccc3ccccc13)N2 13121709 XEKHPLXJQNLFTE-OAHLLOKOSA-N 282.372 3.662 0 40 CHAB CCCCCc1nnc(NC(=O)c2sccc2C)s1 14714482 WUTHRTSWDKXHDU-UHFFFAOYSA-N 295.433 3.893 0 40 CHAB Cc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1 15411998 VHZCSGUROOIADJ-UHFFFAOYSA-N 281.355 3.905 0 40 CHAB CCOc1ccc(NC(=O)c2oc3ccccc3c2N)cc1 19724415 OLEPBDVZXUNQFS-UHFFFAOYSA-N 296.326 3.666 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccc(N)cc2C)cc1 19736402 RSZPSDHVVGRXHM-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB Cc1sc2nc(-c3ccccc3Cl)[nH]c(=O)c2c1C 5093333 LDWIZCNHADEJKD-UHFFFAOYSA-N 290.775 3.922 0 40 CHAB CC[C@@H](C)c1ccc(OCC(=O)NCc2ccccc2)cc1 505754 FWKQYGKHKKMYPX-OAHLLOKOSA-N 297.398 3.895 0 40 CHAB CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2C)c1 5577786 NOTRULDMMQNLFU-UHFFFAOYSA-N 282.343 3.514 0 40 CHAB O=C(Nc1ccccc1)c1ccc(-n2cccc2)cc1 144005 UTYFDWNKSKNDGH-UHFFFAOYSA-N 262.312 3.730 0 40 CHAB COc1ccc2[nH]c3c(C)c(C)c(OC)c(OC)c3c2c1 3647415 AVVRXRXZUJFTHU-UHFFFAOYSA-N 285.343 3.964 0 40 CHAB biogenic,in-vitro O=C1OC(c2ccccc2)=N/C1=C/c1cccc(Cl)c1 97957 RDRVUTVFMPWSDY-GXDHUFHOSA-N 283.714 3.685 0 40 CHAB Cc1c(C)c(C)c(C(=O)CCCC(=O)O)c(C)c1C 137599 LSTWOJFKZVADSB-UHFFFAOYSA-N 262.349 3.666 0 40 CHAB Cc1ccc2oc(=O)n(Cc3ccccc3OC(C)C)c2c1 386010 IBZQQADKAVUBCN-UHFFFAOYSA-N 297.354 3.738 0 40 CHAB COc1ccccc1NC(=O)COc1ccc(C(C)C)cc1 128710 YQYVQBQVXQHTNC-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB CCOc1ncnc2sc(-c3ccccc3)cc12 1006962 SWOSEALVGMVWSG-UHFFFAOYSA-N 256.330 3.757 0 40 CHAB Cc1cc2c(=O)cc(-c3ccccc3)oc2c(C(=O)O)c1C 1592890 PRENCPGCLWDDQP-UHFFFAOYSA-N 294.306 3.775 0 40 CHAB CSc1ccc(Cc2nc3ccccc3[nH]2)cc1 1655456 GGWRPUQKOMHVBV-UHFFFAOYSA-N 254.358 3.876 0 40 CHAB Cc1ccc([C@H](CN(C)C)C(=O)c2ccccc2)cc1C 1669466 WCLJTAOTFJCZJL-SFHVURJKSA-N 281.399 3.832 0 40 CHAB CCCCCn1cnc2c([nH]c3ccc(Cl)cc32)c1=O 2237350 RSADXCFVIVMWNJ-UHFFFAOYSA-N 289.766 3.721 0 40 CHAB O=C(c1ccc2c3c(cccc13)CC2)[C@@H](O)c1ccccc1 3844993 CUWREYKDDYJRCN-IBGZPJMESA-N 288.346 3.855 0 40 CHAB biogenic Oc1n[nH]c2c1C1(CCCCC1)Cc1ccccc1-2 4440641 GBYOITLAVUHEJG-UHFFFAOYSA-N 254.333 3.540 0 40 CHAB CC[C@@H](C(=O)Nc1cccc([C@H](C)O)c1)c1ccccc1 4666602 JANQIHLDHGTDLA-SUMWQHHRSA-N 283.371 3.872 0 40 CHAB CC1(C)OC[C@H](Cn2c3ccccc3c3ccccc32)O1 5261012 IWZKGRGGURHWQK-ZDUSSCGKSA-N 281.355 3.946 0 40 CHAB Cc1cc(Cl)ccc1Oc1ncnc2onc(C)c12 5725003 ZGRLYLFWNFPECD-UHFFFAOYSA-N 275.695 3.680 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccccc2)[C@@H]1C 6409519 HQWQARFTJUURRA-IOKZQJNTSA-N 257.377 3.641 0 40 CHAB Cc1ccc(F)c(NC(=O)Cn2ccc3ccccc32)c1 6965053 IVJZWYBOOSHGAZ-UHFFFAOYSA-N 282.318 3.728 0 40 CHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2)cc1 7269878 LXEATTWQMLNAFU-UHFFFAOYSA-N 297.398 3.793 0 40 CHAB O=C(c1ccc(N2CCCCC2)cc1)N1CCCCCC1 7505064 CBLKMCAQFASBKO-UHFFFAOYSA-N 286.419 3.693 0 40 CHAB CCCCc1c(C)nc(SCCC(C)C)[nH]c1=O 8767757 MWLSNRDHILMWMU-UHFFFAOYSA-N 268.426 3.559 0 40 CHAB Cc1ccc(NCc2ccc3c(c2)C[C@@H](C)O3)cc1 10299503 CQUJYYKBAXGBOR-CYBMUJFWSA-N 253.345 3.931 0 40 CHAB CCSc1ccccc1C(=O)Nc1ncc(C)s1 12776843 KCHDJVMZYNSXRR-UHFFFAOYSA-N 278.402 3.816 0 40 CHAB c1csc(CN(c2ncnc3sccc23)C2CC2)c1 12987878 IBHOBLCYAFKAQJ-UHFFFAOYSA-N 287.413 3.922 0 40 CHAB O=C(O)CCCOc1cccc(Oc2ccccc2)c1 13609166 GUEIDNAXYJMBSC-UHFFFAOYSA-N 272.300 3.723 0 40 CHAB CCc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 13938489 VXAFPXWOKBYVJB-UHFFFAOYSA-N 295.448 3.640 0 40 CHAB c1ccc(CN(c2ccccn2)c2ccccn2)cc1 15109455 ILSNYJBZMLHITI-UHFFFAOYSA-N 261.328 3.815 0 40 CHAB Cc1nc(-c2ccc(C(F)(F)F)cc2)c(C(=O)O)s1 16158380 BFZXIRRFPCMCOT-UHFFFAOYSA-N 287.262 3.836 0 40 CHAB Cc1cc(NC(=O)c2ccccc2)c2ccccc2n1 16268872 OYJOUIBVJMEZGJ-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 18068236 CEYPEKMVWQDRSP-NXEZZACHSA-N 298.169 3.673 0 40 CHAB COc1cccc([S@@](=O)c2c(C)cc(C)cc2C)c1 18194649 JDHIRIXEBQFKEH-IBGZPJMESA-N 274.385 3.787 0 40 CHAB O=C(CCC1CCCC1)Nc1c(F)cccc1F 19075222 BSGSNQDETQZUSG-UHFFFAOYSA-N 253.292 3.874 0 40 CHAB CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1 19721508 GEFJHFNKORGOKH-UHFFFAOYSA-N 296.208 3.934 0 40 CHAB Brc1ccc(SC[C@H]2CCCCN2)cc1 26291414 BHNBREVDQYPEDB-LLVKDONJSA-N 286.238 3.683 0 40 CHAB COc1cccc(NC(=O)c2cc3cc(C)ccc3[nH]2)c1 29505262 OOSWFXUXONATBH-UHFFFAOYSA-N 280.327 3.737 0 40 CHAB O=C(Nc1ccc(F)cc1)C1[C@H]2CC/C=C/CC[C@H]12 31906000 YXHKVKSCJUBPED-FAVCQXFFSA-N 259.324 3.757 0 40 CHAB CC(C)c1ccc([C@H]2CC(O)=Nc3nc(N)sc32)cc1 36359736 PKTUFAYAMWFTLI-LLVKDONJSA-N 287.388 3.972 0 40 CHAB CC(C)c1cc2c(=O)nc3n(c2s1)Cc1ccccc1-3 36611851 KMLNQOYUPBYXOW-UHFFFAOYSA-N 282.368 3.610 0 40 CHAB C[C@H](CCc1ccco1)NC(=O)N(C)Cc1cccs1 40497857 RHOGZVUTKBCVIJ-GFCCVEGCSA-N 292.404 3.504 0 40 CHAB Cc1c(N)cccc1-c1nc2ccc(F)cc2s1 45920002 LEUDIOHMUWFGMU-UHFFFAOYSA-N 258.321 3.993 0 40 CHAB CCN(Cc1ccccc1)C(=O)CCc1ccc(OC)cc1 46081984 YJUNCDGMDPIQTH-UHFFFAOYSA-N 297.398 3.677 0 40 CHAB Cc1ccc(F)cc1NCc1nc(-c2ccccc2)no1 48215156 QRAKHCASEIXJBL-UHFFFAOYSA-N 283.306 3.796 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(F)cc2Cl)s1 48599858 IWGOJJUNIXHPEE-UHFFFAOYSA-N 283.755 3.779 0 40 CHAB CC(C)NCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1 50479156 JNMPEAHVXAVAGV-UHFFFAOYSA-N 283.297 3.594 0 40 CHAB CC1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 58403729 ZKVRFDMXJVPOLF-LLVKDONJSA-N 277.393 3.591 0 40 CHAB O=C(Nc1cccc(COCC2CC2)c1)C1CCCC1 65080152 GNGXKYFDZAQTTM-UHFFFAOYSA-N 273.376 3.742 0 40 CHAB Fc1cccc(Cl)c1-c1nccn1Cc1cccnc1 67434756 XRCWPXJTFPYEBN-UHFFFAOYSA-N 287.725 3.786 0 40 CHAB CCCCc1nn(-c2ccc(F)cc2)c(Cl)c1C=O 71976529 TUHLBOMPLARYQJ-UHFFFAOYSA-N 280.730 3.820 0 40 CHAB CCOC(=O)C1=C(C)CC(=O)C[C@H]1c1ccc(Cl)cc1 72333478 ICEJZYAGXISFCP-AWEZNQCLSA-N 292.762 3.666 0 40 CHAB CCc1ccc(-c2n[nH]c(SCCOC(C)C)n2)cc1 83825254 GMUWBUKUCZJBGR-UHFFFAOYSA-N 291.420 3.551 0 40 CHAB C[C@H](Sc1ccncc1)C(=O)N1c2ccccc2C[C@@H]1C 84718111 GPSJSEBELIHNBL-STQMWFEESA-N 298.411 3.540 0 40 CHAB CC(C)(C)OC(=O)n1cnc2ccc(Br)cc21 89157291 XLOBARPKKQPYLI-UHFFFAOYSA-N 297.152 3.582 0 40 CHAB CC(C)c1cccc2cc(CC(=O)O)c(Cl)nc12 89262002 UKTSSXKXNLCNSR-UHFFFAOYSA-N 263.724 3.639 0 40 CHAB O=C(Nc1ccccc1-c1ccncc1)c1ccco1 89821265 XGIDACSMKVGJKJ-UHFFFAOYSA-N 264.284 3.594 0 40 CHAB COc1ccc(CC(=O)c2ccc(Cl)c(F)c2)cc1 95916293 YLDSTXJGTCOESS-UHFFFAOYSA-N 278.710 3.913 0 40 CHAB Fc1ccc(COC2CCN(Cc3ccco3)CC2)cc1 97051439 GSFWHXDJBQPZKW-UHFFFAOYSA-N 289.350 3.600 0 40 CHAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101067939 RJKCLOQTRSQISA-DDHJSBNISA-N 287.428 3.796 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N[C@H](c1nccs1)C1CC1 107502050 VGYFYSPKFNGRSS-DNVSUFBTSA-N 290.432 3.537 0 40 CHAB c1ccc([C@@H]2CCC[C@H]2NCc2nnc(C3CCC3)o2)cc1 133552679 WKFWNBHSASJUJF-JKSUJKDBSA-N 297.402 3.763 0 40 CHAB Cc1ccc2c(c1C)N(C(=O)c1ccccc1)CC2 198729920 VCGPFTDSBTXPLY-UHFFFAOYSA-N 251.329 3.506 0 40 CHAB COC(=O)c1cccn1-c1cccc(Cl)c1Cl 223727417 ZCXIEPJLGTWOMW-UHFFFAOYSA-N 270.115 3.571 0 40 CHAB Cc1ccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225020890 IMWDUSALLIZHHN-SFHVURJKSA-N 298.382 3.995 0 40 CHAB Nc1ccc([C@@H](O)c2ccc3c4c(cccc24)CC3)cc1 226295843 BUUKKKXTVYXPMV-LJQANCHMSA-N 275.351 3.602 0 40 CHAB CC(C)Oc1nc2c(C(F)(F)F)cccc2cc1C(=O)O 685937422 PEYYGHYAZZWBQI-UHFFFAOYSA-N 299.248 3.739 0 40 CHAB O=c1sc(-c2ccccc2)ncc1-c1ccccc1 90788 LGZKGKAZWPJCNK-UHFFFAOYSA-N 265.337 3.837 0 40 CHAB Cc1ccc(SCc2cn3ccsc3n2)cc1 193640 CNWBIJSVZYIRFN-UHFFFAOYSA-N 260.387 3.997 0 40 CHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Br)cc1 241328 SPWZKDGGVURQEO-GHMZBOCLSA-N 296.208 3.852 0 40 CHAB C[C@@]12CCO[C@@H]1N(Cc1ccccc1)c1ccccc12 264455 NCMVPGABXJTSGZ-ROUUACIJSA-N 265.356 3.711 0 40 CHAB biogenic Cc1ccccc1C(=O)c1c(C)oc2ccccc2c1=O 265226 RHFXLRYYCNKTJB-UHFFFAOYSA-N 278.307 3.641 0 40 CHAB Cc1cc(Br)ccc1NC(=O)CC(C)C 383680 OXHTWERTQWPIDI-UHFFFAOYSA-N 270.170 3.742 0 40 CHAB CCc1ccc(OCc2nc(-c3ccccc3)no2)cc1 858807 GPANOZPGIGRYNY-UHFFFAOYSA-N 280.327 3.878 0 40 CHAB COC(=O)c1c(C)cccc1C(=O)c1ccc(C)cc1C 1600770 LTMXRGSPICXLSF-UHFFFAOYSA-N 282.339 3.629 0 40 CHAB COC(=O)c1cccc(C)c1C(=O)c1c(C)cc(C)cc1C 1600778 LIAHPXGKFROPGF-UHFFFAOYSA-N 296.366 3.938 0 40 CHAB O[C@H](c1cccc2cc(Cl)ccc12)[C@@H]1CCCCN1 1655470 UUUVXBQKOPGAGB-JKSUJKDBSA-N 275.779 3.669 0 40 CHAB CCC[C@H](CCC(=O)Nc1ccccc1Cl)C(=O)O 2375136 YWVNKUQFMDBZNW-SNVBAGLBSA-N 283.755 3.560 0 40 CHAB CCCCCC[C@@H](C)NC(=O)Cc1cccs1 2727530 PCSGYUBIVBTVBV-GFCCVEGCSA-N 253.411 3.766 0 40 CHAB C[C@H](Cc1cccs1)NC(=O)c1cccc(Cl)c1 3211510 DFHDOCAKFAMCND-SNVBAGLBSA-N 279.792 3.763 0 40 CHAB Cc1cccc(C(=O)OCc2nc3ccccc3s2)c1O 3251796 BUOFQOFFUBXDGQ-UHFFFAOYSA-N 299.351 3.667 0 40 CHAB CC[C@H]1CCCCN1C(=O)CSCc1ccccc1 3257930 XWIMBQDLJOJWDH-HNNXBMFYSA-N 277.433 3.711 0 40 CHAB COc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 4745390 TXYQBZUZCLRSAK-UHFFFAOYSA-N 285.387 3.850 0 40 CHAB Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 6215316 DAIASWMZQYEEEC-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1ccc(NC(=O)Cc2ccccc2Cl)c(O)c1 6454208 NXGQELGPJDQRHA-UHFFFAOYSA-N 275.735 3.535 0 40 CHAB CCOCCCNCc1cc(Cl)cc(Cl)c1OC 6536768 GVJMKTMUFZLCIQ-UHFFFAOYSA-N 292.206 3.518 0 40 CHAB CCCc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 7052649 FMHCFWFEJTVMFD-UHFFFAOYSA-N 289.400 3.748 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CC=CCC1 7264059 ISJTXURYVWWHTO-ZBFHGGJFSA-N 255.361 3.537 0 40 CHAB C[C@H]1CCCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 7377720 XUIVSTXRFVCDLR-ZKQHCESOSA-N 299.823 3.515 0 40 CHAB Cc1cccc(OC(C)(C)C(=O)Nc2ccccc2F)c1 13327634 OBOKHLWFDLDVLG-UHFFFAOYSA-N 287.334 3.930 0 40 CHAB O=C(NC1CCCC1)c1ccccc1COc1ccccc1 15634099 VKZGXANYCOQHNF-UHFFFAOYSA-N 295.382 3.938 0 40 CHAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccccc1 16300364 KCPMDXHRRWLGMT-AWEZNQCLSA-N 287.359 3.793 0 40 CHAB CCCC[C@@H](CC)CNC1CCN(C(C)C)CC1 20124490 ULSHQJMUFCTEPG-OAHLLOKOSA-N 254.462 3.665 0 40 CHAB COc1ccc(NC(=O)c2cc(C)c(C)s2)cc1OC 23995088 DHYFDTLAJNDOMR-UHFFFAOYSA-N 291.372 3.634 0 40 CHAB Cc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 24980110 BILCAKNAGGAWHF-NWDGAFQWSA-N 285.309 3.846 0 40 CHAB O=C(NCCSC1CCCC1)c1cc2c(s1)CCC2 25247571 FDEXRXPNBZRBJV-UHFFFAOYSA-N 295.473 3.642 0 40 CHAB COc1ccc2c(NCc3ccccc3Cl)ncnc2c1 32544409 NEUQVYULYDKMCY-UHFFFAOYSA-N 299.761 3.904 0 40 CHAB CCCC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 32676766 JEPYENARRUQVKH-AWEZNQCLSA-N 298.386 3.638 0 40 CHAB Cc1ccccc1CC(=O)Nc1ncc(Cl)cc1Cl 32859944 OVODTPIQIRCTAB-UHFFFAOYSA-N 295.169 3.878 0 40 CHAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1ccccc1 32889963 UILYCDYZUAKQRI-HZPDHXFCSA-N 255.361 3.706 0 40 CHAB CCOC(=O)c1sc(NC(=O)CC(C)(C)C)cc1C 35151859 UIUBFWJUPQINTG-UHFFFAOYSA-N 283.393 3.608 0 40 CHAB CCOc1cccc(C=O)c1OCc1ccccc1C 36672344 VZYYFEDQRPYUQD-UHFFFAOYSA-N 270.328 3.785 0 40 CHAB CCCn1c(CCCC(=O)O)nc2cc(Cl)ccc21 37440158 VPAOEDBHWAUHFF-UHFFFAOYSA-N 280.755 3.507 0 40 CHAB COc1ccc(CNCCC2=CCCCC2)cc1F 37496102 GSVAIQOCBKOTRD-UHFFFAOYSA-N 263.356 3.814 0 40 CHAB CCCN(CCC)CCc1c[nH]c2cccc(O)c12 37627616 MZLRMPTVOVJXLW-UHFFFAOYSA-N 260.381 3.538 0 40 CHAB in-vivo COc1ccc(C(=O)c2ccc(SC)cc2)cc1 44882560 MBBNMEDIJUBJMA-UHFFFAOYSA-N 258.342 3.648 0 40 CHAB COc1ncc(-c2ccccc2F)cc1C(F)(F)F 47206344 VDDDJJNTGIWYJI-UHFFFAOYSA-N 271.213 3.915 0 40 CHAB CSc1ccc(-c2csc(-c3cnccn3)n2)cc1 48366434 ZPPFHJILRLKZMW-UHFFFAOYSA-N 285.397 3.989 0 40 CHAB O=C(NCC1CC1)c1cnc(-c2ccccc2Cl)s1 50558212 ATZBMQXTSMBCSU-UHFFFAOYSA-N 292.791 3.603 0 40 CHAB CN(C)C(OC1CCCCC1)OC1CCCCC1 55175336 GCCBITPXNLHRFH-UHFFFAOYSA-N 255.402 3.530 0 40 CHAB C[C@@H](CN(C)C)C(=O)c1cccc(OCc2ccccc2)c1 65740465 OVQPVGKUBSDXLE-HNNXBMFYSA-N 297.398 3.646 0 40 CHAB in-vitro Cc1cc(C)c2nc(-c3cccc(N)c3C)[nH]c2c1 70462791 DEPCCWLOKXDWBX-UHFFFAOYSA-N 251.333 3.737 0 40 CHAB Cc1cc(C)c(NC(=O)Cc2ccc(Cl)cc2)c(N)c1 70462875 GUCYGBNUIOMBIM-UHFFFAOYSA-N 288.778 3.720 0 40 CHAB CC(C)Cn1cc(-c2ccc(Br)cc2)cn1 72209978 VBVCVLBMZSLFCU-UHFFFAOYSA-N 279.181 3.969 0 40 CHAB FC(F)(F)c1n[nH]c(SCc2ccccc2Cl)n1 78406814 KWNLMVMPJKMFEZ-UHFFFAOYSA-N 293.701 3.769 0 40 CHAB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=O)cc21 78582574 ANSSDOAYSUZNQD-VIFPVBQESA-N 251.757 3.875 0 40 CHAB Oc1ccccc1-c1cc(Cl)c2cccnc2c1O 90715335 LYSTVVWUURZPGM-UHFFFAOYSA-N 271.703 3.966 0 40 CHAB O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)C1=CCCC1 95443762 IYKLFHNSHWAKDC-UHFFFAOYSA-N 277.274 3.549 0 40 CHAB CCCCO[C@@H](C)OCC(F)(F)[C@H](F)C(F)(F)F 98210582 MHWJJEAAUALWDP-SFYZADRCSA-N 282.224 3.701 0 40 CHAB CCCN[C@@H](CC)c1ccc(OCC)c(OC)c1 222638315 SHQFMMSUWPYTDN-ZDUSSCGKSA-N 251.370 3.545 0 40 CHAB CCCCc1ccc2nc(C)cc(NCCCNC)c2c1 222692258 RYKNYACOYIHHCM-UHFFFAOYSA-N 285.435 3.907 0 40 CHAB CCCOc1ccc2[nH]c(C)c(CNC(C)C)c2c1 223769986 MVSQNEGHGGJAGN-UHFFFAOYSA-N 260.381 3.763 0 40 CHAB CCOC(=O)c1cc(-n2cccc2)ccc1N(CC)CC 226276560 FHSCXQVJLXFBAW-UHFFFAOYSA-N 286.375 3.500 0 40 CHAB Cc1ccc(C(=O)C(F)(F)C(F)(F)F)c(F)c1 575242793 IDYPEQBDJSAEDJ-UHFFFAOYSA-N 256.145 3.514 0 40 CHAB COc1ccc(C(=O)Cc2cccs2)c(Cl)c1 575360950 UVJQZXNAYGLONW-UHFFFAOYSA-N 266.749 3.836 0 40 CHAB O=C(c1ccc(F)c(F)c1)c1cc2ccccc2o1 92277 LMCLSMPHBUXOSR-UHFFFAOYSA-N 258.223 3.942 0 40 CHAB c1cc(CSc2nnc(NC3CCCCC3)s2)no1 78708659 YNBMXMOMNQSALL-UHFFFAOYSA-N 296.421 3.563 0 40 CHAB CC(C)SC(=S)S(=O)(=O)c1ccc(Cl)cc1 1562777 PRSQLGKPPDYTTR-UHFFFAOYSA-N 294.850 3.540 0 40 CHAB COc1c(C)cc(Cc2ccc3c(c2)OCO3)cc1C 1581569 LBBKTMOCDKFFAE-UHFFFAOYSA-N 270.328 3.632 0 40 CHAB CCCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1664843 WPONIRRKFDYIEL-MSOLQXFVSA-N 269.388 3.851 0 40 CHAB CCCC[C@H](CC)C(=O)OCCC[C@H]1CCCO1 4684033 CTTMABCNHUOHAT-UONOGXRCSA-N 256.386 3.705 0 40 CHAB CC(C)(C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 7268696 CFMQQWAWYYMVAQ-INIZCTEOSA-N 295.382 3.604 0 40 CHAB Cc1nc(-c2ccc(CNC(=O)C3CCC3)s2)cs1 7820616 CAAOVRWGUOPTRK-UHFFFAOYSA-N 292.429 3.596 0 40 CHAB Cc1ccnc(NC(=O)CCCc2c[nH]c3ccccc23)c1 9314050 OMILJXLDOORRQH-UHFFFAOYSA-N 293.370 3.833 0 40 CHAB COc1ccccc1CCC(=O)c1ccc(C)cc1 2516443 BTLAISKGTPKYRQ-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)COc2ccccc2)c(C)c1 55731822 ZHXFCADOXOPJNQ-OAHLLOKOSA-N 283.371 3.501 0 40 CHAB Cc1ccc2c(CN3CCCCCC3)cc(=O)oc2c1C 2726646 QRSROKVQOCTOAC-UHFFFAOYSA-N 285.387 3.786 0 40 CHAB CC(C)Oc1c(Cl)cc(/C=C/C(=O)O)cc1Cl 12394671 DKGRRWODQUYVRA-ONEGZZNKSA-N 275.131 3.878 0 40 CHAB Cc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1 10339096 CHXHJKFZWFUNJL-UHFFFAOYSA-N 253.345 3.875 0 40 CHAB CSc1ncccc1C(=O)OCc1ccccc1Cl 3301845 XZWRUVMWJTZGIV-UHFFFAOYSA-N 293.775 3.814 0 40 CHAB Cc1cccc(C(=O)NCc2ccc(Cl)cc2)c1C 3343143 NILJAXSBGNEAPQ-UHFFFAOYSA-N 273.763 3.887 0 40 CHAB Cc1cc(NC(=O)N2CCC[C@H]2CCc2ccccc2)no1 48354311 RLPQVBNOCOBOHG-HNNXBMFYSA-N 299.374 3.612 0 40 CHAB CC[C@@H](NC(=O)C1CCCCC1)c1ccc(OC)cc1 20451782 BLXPJPIALMVPSA-MRXNPFEDSA-N 275.392 3.843 0 40 CHAB CN(C(=O)Cc1cccs1)c1nc2ccccc2s1 13020840 MCMDLYDRUNNJKR-UHFFFAOYSA-N 288.397 3.563 0 40 CHAB O=C(OC1CCCCCC1)c1cc(Cl)ccn1 39976088 XPBDEPRJVPSTAK-UHFFFAOYSA-N 253.729 3.615 0 40 CHAB COc1ccc(CNC[C@@H](C)Oc2ccccc2C)cc1 19737650 JBOKHAJDYOZODE-OAHLLOKOSA-N 285.387 3.561 0 40 CHAB COc1ccc(-c2csc3ncnc(NC4CC4)c23)cc1 15207777 RUFSUOLGEFBPBC-UHFFFAOYSA-N 297.383 3.941 0 40 CHAB Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 5933873 SYZISNCKPUTVQP-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB COc1cc(NC(=O)CC2CCCC2)c(OC)cc1Cl 7406053 QLSBQUOGUKNQDE-UHFFFAOYSA-N 297.782 3.876 0 40 CHAB Cc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1C 7637689 AWTRJMIZDOJXNX-YIONKMFJSA-N 285.387 3.637 0 40 CHAB O=C(Nc1cccc(Cl)c1)N(CC(F)F)C1CC1 69846625 MGGJZZQLIOEGIR-UHFFFAOYSA-N 274.698 3.601 0 40 CHAB COc1ccc2nc(NCc3ccco3)sc2c1 61957892 BRGAQNKJVBYFFM-UHFFFAOYSA-N 260.318 3.510 0 40 CHAB CCN(CC)c1ccc(-n2cnc3ccccc32)cc1 73740205 VEULRQFCYPZXEA-UHFFFAOYSA-N 265.360 3.872 0 40 CHAB C[C@H]1CCC[C@@H](C)N1CCCOc1ccccc1C=O 217790895 OVHLIKDHAZFMQB-GASCZTMLSA-N 275.392 3.531 0 40 CHAB FC(F)c1ccnc(Br)c1Br 77012058 SSHLIULMIFZUGP-UHFFFAOYSA-N 286.901 3.544 0 40 CHAB CCCCCCOc1ccc(C(=O)OCC)cc1 33945724 BDLLUXUNYYZWEX-UHFFFAOYSA-N 250.338 3.822 0 40 CHAB Cc1cnccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72219541 FTMAJZHILUJHNO-AWEZNQCLSA-N 276.380 3.852 0 40 CHAB O=C(O)c1ncc(C(F)(F)F)cc1-c1cccc(F)c1 47205270 OJMUGXZMOMSINL-UHFFFAOYSA-N 285.196 3.605 0 40 CHAB O=Cc1cn(C(=O)Cc2ccc(Cl)cc2)c2ccccc12 49903393 WKFZVFJRCOTPOS-UHFFFAOYSA-N 297.741 3.990 0 40 CHAB CCCCSc1nnc(-c2ccc(F)cc2)o1 45951915 GRTZPIDCQHQVCL-UHFFFAOYSA-N 252.314 3.768 0 40 CHAB S=C(Nc1cccnc1Cl)NC1CCCCCC1 224041140 OTHRNMWPDWLRCL-UHFFFAOYSA-N 283.828 3.744 0 40 CHAB CC[C@@H](C(=O)O)N(CC)c1cccc(Cl)c1Cl 224993795 UCQGTUYFERRVJF-VIFPVBQESA-N 276.163 3.683 0 40 CHAB CC(=O)c1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1 95470289 IJFUVQCKWSOAJQ-UHFFFAOYSA-N 297.354 3.702 0 40 CHAB CCN(C(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1 252501709 UIGCRGBRKZPQAE-UHFFFAOYSA-N 283.249 3.965 0 40 CHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1ccc(F)c(Cl)c1 95634010 NGZAWGNNBLYXQB-UWVGGRQHSA-N 284.714 3.553 0 40 CHAB O=C(NCCc1ccoc1)Nc1ccc(Cl)c(Cl)c1 90607466 OYJXSDZRCDQCDF-UHFFFAOYSA-N 299.157 3.951 0 40 CHAB Clc1cnc(NCc2ccc3c(c2)OCO3)c(Cl)c1 23674024 LQKVCHZUKMPYRH-UHFFFAOYSA-N 297.141 3.729 0 40 CHAB CCC(CC)c1nnc(NC(=O)[C@H]2CC=CCC2)s1 57329302 FVKGXIAQIXTDEZ-NSHDSACASA-N 279.409 3.737 0 40 CHAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1O 76273851 PAIGTOVKAJUYPR-UHFFFAOYSA-N 277.751 3.975 0 40 CHAB C(=C\c1cnc2ccccc2n1)\c1ccc2c(c1)OCO2 5023655 LGIOSNXCCIPHHL-ALCCZGGFSA-N 276.295 3.529 0 40 CHAB Nc1ccccc1NC(=O)CSc1ccc(Cl)cc1 19845936 NMGUYSAVLCQDAT-UHFFFAOYSA-N 292.791 3.653 0 40 CHAB O[C@@H](CCNc1ccccc1)c1ccc(Cl)cc1 5338424 ONQCONNPKGVZDU-HNNXBMFYSA-N 261.752 3.876 0 40 CHAB C[C@@H](CN[C@@H]1COC[C@H]1c1ccc(F)cc1)c1ccccc1 12220738 IRMRYRSUWXGPRO-ZOCIIQOWSA-N 299.389 3.701 0 40 CHAB Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1 12544956 XGVKPBAOYGBUAV-MRXNPFEDSA-N 281.359 3.759 0 40 CHAB O=C(/C=C\c1ccccc1)NCCc1c[nH]c2ccccc12 12959769 YSNGDZDGGGVGHU-KHPPLWFESA-N 290.366 3.540 0 40 CHAB C[C@H](NC(=O)OCc1ccccc1)c1ccccc1 478177 XFSAQXHAIMAZTD-ZDUSSCGKSA-N 255.317 3.674 0 40 CHAB CCOc1ccc(NCC2OCc3ccccc3CO2)cc1 377323 CWBPZKUMAZHXAN-UHFFFAOYSA-N 299.370 3.570 0 40 CHAB CCNC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 38549988 MTRZNFYUQYISMC-UHFFFAOYSA-N 275.377 3.568 0 40 CHAB C[C@H](NC(=O)C1CCC1)c1ccc(C(F)(F)F)cc1 40071850 VNOOGLNIOBFSDA-VIFPVBQESA-N 271.282 3.683 0 40 CHAB C[C@H](N(C)C(=O)c1cn(C)c2ccccc12)C(C)(C)C 30423057 BVOCEPPHHDKRBQ-LBPRGKRZSA-N 272.392 3.685 0 40 CHAB CCCCOc1cccc(CNC(=O)c2ccc(C)o2)c1 40122177 XVDWPEICMMFQKY-UHFFFAOYSA-N 287.359 3.697 0 40 CHAB CCOc1cccc(CNC(=O)c2cccc(Cl)c2)c1 20481565 ZHRNPXPKYGSSLI-UHFFFAOYSA-N 289.762 3.669 0 40 CHAB CCN(CC)c1ccc(NCc2ccccn2)cc1 32108844 VCDRPCGUPSWPDB-UHFFFAOYSA-N 255.365 3.540 0 40 CHAB CC[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1Cl 32862253 NYTRUAKQNIMQNG-SNVBAGLBSA-N 254.761 3.877 0 40 CHAB CC(C)CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 567275 FPVRWQRPHMFVPS-JTQLQIEISA-N 271.813 3.593 0 40 CHAB O=C(N[C@H](c1ccccc1)c1ccco1)[C@H]1C[C@H]2C=C[C@H]1C2 104200142 KUNKXRPNZWMCTE-OWIUFQIYSA-N 293.366 3.697 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(-c2nnco2)c1 104711308 QUCWRDDYHKSYPT-OBJOEFQTSA-N 297.358 3.501 0 40 CHAB CCOc1cc2c(cc1OCC)[C@H]([C@@H](C)CC)NCC2 141634 IOEDBYAFSCGWPC-SJCJKPOMSA-N 277.408 3.717 0 40 CHAB CC(=O)Oc1ccc2oc(C)c(C(=O)c3ccccc3)c2c1 493933 DLWIGJUFLDHFTD-UHFFFAOYSA-N 294.306 3.898 0 40 CHAB CC1=C[C@@H](C)C2(COC(c3ccco3)OC2)[C@@H](C)C1 517867 HDOZYLVTCNXYDZ-SQHUISNBSA-N 262.349 3.934 0 40 CHAB biogenic CCC1CCC(NC(=O)/C=C/c2ccccc2F)CC1 1459365 FQTYTBKNYQYUMH-FMIVXFBMSA-N 275.367 3.924 0 40 CHAB CC[C@@H](C)c1ccc(OC[C@H](C)OC(C)=O)cc1 1583900 FIKUKQZUOAUUJA-NEPJUHHUSA-N 250.338 3.531 0 40 CHAB O=C(O)[C@@H]1CC2(CC[C@@H]1c1ccccc1)SCCS2 1644713 NPAMBDXBAONOKE-CHWSQXEVSA-N 294.441 3.831 0 40 CHAB O=C(CCc1cccs1)OCC1CCCCC1 1671230 RSQMJNDHNNOYRO-UHFFFAOYSA-N 252.379 3.804 0 40 CHAB Cc1csc(NC(=O)COc2cccc3ccccc23)n1 3561897 XHXGQUOOQMESRZ-UHFFFAOYSA-N 298.367 3.622 0 40 CHAB O=C(O)c1ccc(Cl)cc1NC(=O)C1CCCCC1 4695642 MICFVOJMDSHCGR-UHFFFAOYSA-N 281.739 3.557 0 40 CHAB Cc1cccc(C)c1NC(=O)Cn1c(C)nc2ccccc21 5627890 WRNQEVUZVUGVQF-UHFFFAOYSA-N 293.370 3.600 0 40 CHAB COc1c(Cl)cc(C(=O)O)cc1OCc1ccccc1 6169891 VNJJQYMICRLINX-UHFFFAOYSA-N 292.718 3.626 0 40 CHAB CCN(CC)C(=O)Nc1ccccc1C(F)(F)F 6462696 REOISQWBTNSUAU-UHFFFAOYSA-N 260.259 3.579 0 40 CHAB COc1cc2c(cc1[C@@H](C)c1ccc(C)cc1)OCO2 6487793 FAMMEBNJNOSMLA-LBPRGKRZSA-N 270.328 3.884 0 40 CHAB O=C(CCSCc1ccccc1)NCCc1ccccc1 7685680 KEIXLTIMMCZJDW-UHFFFAOYSA-N 299.439 3.669 0 40 CHAB Cc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1 8869592 ADNJBNYQGNIACQ-UHFFFAOYSA-N 293.326 3.606 0 40 CHAB Cc1ccn2cc(C(=O)Nc3c(C)cccc3C)nc2c1 9115277 DDPRCORSHLTKBJ-UHFFFAOYSA-N 279.343 3.512 0 40 CHAB Cc1sc(NC(=O)[C@@H]2C[C@H]2C)nc1-c1ccc(F)cc1 9452971 OQZRIJMNZRTWAE-PRHODGIISA-N 290.363 3.852 0 40 CHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccco1 12980264 UJUSCEAHIYPDOF-NSHDSACASA-N 293.775 3.900 0 40 CHAB COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1F 13007593 IUGBDZQSJFZAEU-INIZCTEOSA-N 299.345 3.594 0 40 CHAB CCN1C(=O)[C@@H](Cc2ccc(F)cc2)c2ccccc21 15017998 QYXDZZXNLOSCST-HNNXBMFYSA-N 269.319 3.519 0 40 CHAB Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 18181294 ZKYQCTMFRSJNOE-HNNXBMFYSA-N 287.338 3.533 0 40 CHAB C[C@H](NCCN[C@@H](C)c1ccccc1)c1ccccc1 19366296 LVJYSFUNASCGCN-HOTGVXAUSA-N 268.404 3.688 0 40 CHAB Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 19398509 CBDHSRJBLBMSHE-UHFFFAOYSA-N 281.142 3.828 0 40 CHAB CC[C@H](C)N1CCN(Cc2cccc3ccccc23)CC1 19889525 KFQCJYMXNGJCIP-INIZCTEOSA-N 282.431 3.756 0 40 CHAB c1ccc(-c2cc3ccccc3nc2N2CCOCC2)cc1 19891235 FBOJZGAQEXVQNT-UHFFFAOYSA-N 290.366 3.738 0 40 CHAB Cc1ccc2nc(-c3ccc(Cl)c(N)c3)[nH]c2c1 20156965 UGHHXZOCXZHJEY-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB CC[C@H](NC(=O)c1cccc(OC)c1)c1ccc(OC)cc1 21836400 GEOIBTREVPHXNO-KRWDZBQOSA-N 299.370 3.585 0 40 CHAB CCOc1cccc(NC(=O)Cc2ccc(C)cc2)c1 22525574 NCQOJCXHCMLJBH-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB COc1ccccc1NC(=O)CCn1ccc2ccccc21 22705273 AIYLCYPBPGXDNB-UHFFFAOYSA-N 294.354 3.679 0 40 CHAB CC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)s1 24027501 ZDTKELNEXPGWTA-MRXNPFEDSA-N 299.395 3.832 0 40 CHAB COc1ccc(C(=O)O)cc1COc1cc(C)cc(C)c1 24548893 PDSLWHVDLCIBAI-UHFFFAOYSA-N 286.327 3.589 0 40 CHAB NCCCCCCNc1ccnc2cc(Cl)ccc12 28824114 MCNLIIMMRZOMFX-UHFFFAOYSA-N 277.799 3.819 0 40 CHAB O=C(c1cc(Cl)ccn1)N1CCC[C@H]2CCCC[C@H]21 32731060 YLMNECIKGRFTAK-BXUZGUMPSA-N 278.783 3.530 0 40 CHAB Cc1c(C(=O)N[C@@H](C)C2CC2)sc2ccccc12 32778017 ZVXXOTPJHBRVIN-JTQLQIEISA-N 259.374 3.738 0 40 CHAB CN(Cc1ccncc1)C(=O)c1ccc2ccccc2c1 32906496 FJITYFCKDSEHBF-UHFFFAOYSA-N 276.339 3.507 0 40 CHAB C[C@H](Cc1ccco1)NCc1cc2ccccc2o1 35254711 VFWJSVVAJLCPIL-GFCCVEGCSA-N 255.317 3.747 0 40 CHAB CCCCCC(=O)Nc1ccc(N)cc1Br 36738432 UAAPAARGFHQYRJ-UHFFFAOYSA-N 285.185 3.550 0 40 CHAB COc1ccc2[nH]cc(C(=O)c3ccc(F)cc3)c2c1 37364295 QBGSTUKSZNCYAJ-UHFFFAOYSA-N 269.275 3.547 0 40 CHAB FC(F)(F)c1cnc(NCC[C@@H]2CCCO2)c(Cl)c1 37981730 RCSFSMMPXHDNOO-VIFPVBQESA-N 294.704 3.735 0 40 CHAB CCCn1c([C@H](C)O)nc2cc(C(F)(F)F)ccc21 40417459 DURWYXZTQAOKMD-QMMMGPOBSA-N 272.270 3.518 0 40 CHAB Cc1oc(-c2cccs2)nc1C(=O)N1CCCCCC1 40530122 WQZBEDKZCCMCNK-UHFFFAOYSA-N 290.388 3.728 0 40 CHAB Cc1occc1-c1nnc(SC2CCCC2)o1 41384778 OXRQPXKLPYJJKX-UHFFFAOYSA-N 250.323 3.673 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2sc(C)nc2C)s1 44979604 JFKCPOLDHIPULZ-SECBINFHSA-N 280.418 3.621 0 40 CHAB CC(C)[C@@H](NC(=O)Nc1ccccn1)c1cccs1 45123732 CAJPHCLSJJMEPA-CYBMUJFWSA-N 275.377 3.662 0 40 CHAB O=C(Nc1ccncc1)N[C@H](c1ccccc1)c1ccco1 45155560 CTLNANYVDJELIO-MRXNPFEDSA-N 293.326 3.586 0 40 CHAB Fc1cccc(CSc2ncn(-c3ccccc3)n2)c1 48406132 WOKZMBJWJAJZHZ-UHFFFAOYSA-N 285.347 3.699 0 40 CHAB CCOc1ccccc1CNC(=O)c1ccc(C)cc1C 53162695 YFFUGYYUEJRJDR-UHFFFAOYSA-N 283.371 3.632 0 40 CHAB Clc1cc2c(c3ncccc13)OCN(C1CCCC1)C2 54114196 PJJRTPMSAXNYJE-UHFFFAOYSA-N 288.778 3.983 0 40 CHAB Cc1ccccc1-c1cc(-c2ccccc2F)nc(N)n1 71978077 GHIDZONIUABNHB-UHFFFAOYSA-N 279.318 3.840 0 40 CHAB COC(=O)c1ccc(-c2nc[nH]c2-c2cccs2)cc1 73633043 BSFXXJKSCQZMMJ-UHFFFAOYSA-N 284.340 3.592 0 40 CHAB Cc1ncsc1C(=O)N1C[C@H](C)Sc2ccccc21 88221191 RFYRRNNQRARLPG-VIFPVBQESA-N 290.413 3.593 0 40 CHAB CCCn1cc(NCc2cccc3c2OC(C)(C)C3)cn1 90191024 LBMOMHSRKSRELT-UHFFFAOYSA-N 285.391 3.619 0 40 CHAB Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccsc1 90765010 VBQAEYZCXGLQCS-ZJUUUORDSA-N 264.394 3.807 0 40 CHAB CCOC(=O)c1cnc2cc(C)c(C)cc2c1Cl 95093244 UXLDBGFOOSNCSI-UHFFFAOYSA-N 263.724 3.682 0 40 CHAB CCOc1cccc2c(Cl)c(N)c(Cl)nc12 95098237 FGQQNQPYUQRMME-UHFFFAOYSA-N 257.120 3.523 0 40 CHAB COc1cccc(CNc2nc(C(F)(F)F)cs2)c1 95415889 ZXOJFUHUDQNBSX-UHFFFAOYSA-N 288.294 3.783 0 40 CHAB O=C(CSCc1ccccc1)NCC1CCCCC1 104556594 IERJEHCPMWJVHZ-UHFFFAOYSA-N 277.433 3.616 0 40 CHAB Cc1ccc(CN(C)C(=O)Cc2cccc(Cl)c2)cc1 171402296 YUXFCQUYWWQVPC-UHFFFAOYSA-N 287.790 3.850 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2F)cc1OC 199728875 NLDOIRJSCPTJHO-UHFFFAOYSA-N 288.318 3.658 0 40 CHAB CCOc1cccc(Nc2nc3ccccc3o2)c1 199811524 ITYZDFAZCRHMHA-UHFFFAOYSA-N 254.289 3.970 0 40 CHAB COc1cc2sc(-n3nc(C)cc3C)nc2cc1Cl 216765308 KWMRLPZLZDVUCE-UHFFFAOYSA-N 293.779 3.761 0 40 CHAB CCCCNCc1cccn1-c1cc(C)ccc1C 223681494 MTUWDAIUYNODQY-UHFFFAOYSA-N 256.393 3.984 0 40 CHAB Cc1ccc(OCCCC(=O)NCC2CCCCC2)cc1 224144295 JQNGNIRFVMEKFU-UHFFFAOYSA-N 289.419 3.851 0 40 CHAB O=S(=O)(CCCCCF)c1ccc(C(F)(F)F)cc1 252509341 YLQDZBQTZGSYEK-UHFFFAOYSA-N 298.301 3.619 0 40 CHAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(C)C1=O 408816890 MJHKVLSDIXJXOR-NTEUORMPSA-N 299.351 3.515 0 40 CHAB CC(C)[C@H]1CCc2cc(Br)ccc2O1 575422101 FRKXRBNLWQSNTO-LLVKDONJSA-N 255.155 3.799 0 40 CHAB CC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F 604221792 FBXDUBXSRFVOTK-UHFFFAOYSA-N 272.144 3.807 0 40 CHAB Cc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 49923 XBSZQECKGPIVNV-LFIBNONCSA-N 277.323 3.648 0 40 CHAB CCOc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1 198025 RBAMFHLFPKUBKE-UHFFFAOYSA-N 296.370 3.894 0 40 CHAB Cc1cc(NC(=O)OC(C)(C)C)c2c(n1)CCCC2 1420674 SFNTXNOGLYOMEH-UHFFFAOYSA-N 262.353 3.616 0 40 CHAB Nc1nc(Cl)cc(Nc2cc(Cl)cc(Cl)c2)n1 1648702 AUVRWTGJPUZAMO-UHFFFAOYSA-N 289.553 3.763 0 40 CHAB CCCCN1CCc2c(n3c4c(cccc24)CC[C@@H]3C)C1=O 1875295 GVCRQQHNDODRNW-ZDUSSCGKSA-N 296.414 3.947 0 40 CHAB C[C@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 2127293 IVIVSROIBJFEGA-VIFPVBQESA-N 265.765 3.893 0 40 CHAB CCCC[C@]1(CC)NC(=S)N(c2ccc(C)c(C)c2)N1 2336369 LBZQMIJLGUMNPB-MRXNPFEDSA-N 291.464 3.799 0 40 CHAB C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 2507958 WJIQCDPCDVWDDE-BMKSAUJBSA-N 286.415 3.943 0 40 CHAB biogenic CC(C)(C)c1ccc(C(=O)CCC2OCCCO2)cc1 2581234 AGDNPGPYSPKMNZ-UHFFFAOYSA-N 276.376 3.710 0 40 CHAB Clc1ccc(Sc2nc3ccccc3s2)nn1 3159047 VRJDVVPGZKQZTQ-UHFFFAOYSA-N 279.777 3.891 0 40 CHAB CC1=C(C)[C@@]2(C)[C@@]1(C)[C@@]1(C)N=NN[C@]21c1ccccc1 5179823 LMSJRJZSTYWIJR-MWDXBVQZSA-N 267.376 3.987 0 40 CHAB Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 5442903 VOUYMKBAKVNXPD-KRWDZBQOSA-N 265.356 3.802 0 40 CHAB Cc1ccc(/C=C/C(=O)NCc2ccc(C)cc2)cc1 5541126 ZTZDPMQAYNPWJL-VAWYXSNFSA-N 265.356 3.633 0 40 CHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 5573369 JYXPYOQFTKIXPK-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB CC(=O)c1ccccc1OCC(=O)c1ccc(Cl)cc1 5900677 GINKFEIHAVFGSJ-UHFFFAOYSA-N 288.730 3.804 0 40 CHAB CCOc1ccc(C(=O)O)cc1/C=N/c1ccccc1 6963893 NHBMGUHXFYUIDS-GZTJUZNOSA-N 269.300 3.534 0 40 CHAB Cc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)s1 7254564 TXOQIMLNYQDZSI-UHFFFAOYSA-N 298.367 3.599 0 40 CHAB Cc1ccnc(NC(=O)c2cc3cc(C)ccc3nc2C)c1 9468341 FXGNSMUPIRLRQU-UHFFFAOYSA-N 291.354 3.807 0 40 CHAB O=C(Nc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 12980352 NRGVNBPBWPYTDL-UHFFFAOYSA-N 273.719 3.527 0 40 CHAB Cc1cc2c(cc1CN1CC=CCC(C)(C)C1)OCO2 13568397 ZVQRICNSXZOMFH-UHFFFAOYSA-N 273.376 3.512 0 40 CHAB O=C(C[C@@H]1C=CCC1)N[C@H]1CCCc2ccccc21 14019835 WDBFJGZMTUGNOJ-CJNGLKHVSA-N 255.361 3.537 0 40 CHAB Cc1nc([C@@H]2CCN(Cc3ccccc3)C2)c2ccccn12 19240705 CUIGKZXKLSJFLD-QGZVFWFLSA-N 291.398 3.632 0 40 CHAB CCCCOc1ccc(C(=O)Nc2cccc(N)c2)cc1 19429839 QQGNGWYCCWXSDK-UHFFFAOYSA-N 284.359 3.700 0 40 CHAB COc1ccc(OC)c([C@@H](C)NCc2ccccc2)c1 19899543 ONUASMHUAAZJGJ-CYBMUJFWSA-N 271.360 3.555 0 40 CHAB COc1cccc([C@@H](C)NCCc2ccccc2F)c1 19912728 UKWSJVGRQJVQCA-CYBMUJFWSA-N 273.351 3.728 0 40 CHAB Cc1ccc(CNC[C@H](c2cccs2)N2CCCC2)o1 23257931 ZPLDIBJXBZZPMM-OAHLLOKOSA-N 290.432 3.576 0 40 CHAB C[C@@H](CNC(=O)c1cccc2ncccc12)c1ccccc1 25447123 JBRVZUFSXLJFTK-AWEZNQCLSA-N 290.366 3.768 0 40 CHAB CCOc1ncccc1NC(=O)c1cc2ccccc2s1 27514853 XFWGBGGEYTWQOO-UHFFFAOYSA-N 298.367 3.947 0 40 CHAB CCn1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cn1 28239131 SSIPWODIRXKUDK-UHFFFAOYSA-N 291.354 3.822 0 40 CHAB CC[C@@H](C)[C@H](C(=O)Nc1nnc(C)s1)c1ccccc1 32992759 CGDCBCPFRCOMTF-MFKMUULPSA-N 289.404 3.615 0 40 CHAB CSc1cccc(NC(=O)NCCc2cccs2)c1 33897567 ZDSVLHSYZPNNJW-UHFFFAOYSA-N 292.429 3.834 0 40 CHAB COc1cc(CN2CCCC[C@H]2C)ccc1OC(F)F 39985823 IGOJHVDSCRRAHG-LLVKDONJSA-N 285.334 3.671 0 40 CHAB CCCOc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 43209963 QGRAOSQANLZXGU-UHFFFAOYSA-N 298.338 3.632 0 40 CHAB CC(C)(C)C(=O)c1ccc(Br)c(F)c1 43210807 DIKWOOMIVJWJTC-UHFFFAOYSA-N 259.118 3.817 0 40 CHAB CCc1cccc(NC(=O)N[C@H](C)c2ccncc2)c1 43333772 MWJFBNBOQBHCAC-GFCCVEGCSA-N 269.348 3.527 0 40 CHAB O=C(c1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1 45038701 OORTVOKOCCHFHQ-UHFFFAOYSA-N 285.652 3.985 0 40 CHAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCC1 45480411 QRRVLPPOPBEFBI-UHFFFAOYSA-N 273.254 3.714 0 40 CHAB O=C(NCC1(c2ccccc2)CCC1)c1ccc[nH]c1=S 45872005 LIEMFVJHXBJRCF-UHFFFAOYSA-N 298.411 3.596 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccccn1 46960821 DZZROHGDKXBUJF-ZDUSSCGKSA-N 299.374 3.818 0 40 CHAB CC1CCC(C)(NC(=O)Nc2ccc(F)cc2)CC1 58171600 RRUCVNATZGXOGW-UHFFFAOYSA-N 264.344 3.916 0 40 CHAB CCC[C@H](C)N(C)C(=O)Nc1cc(C)ccc1F 58355979 KLZWBKFJQOMQDB-NSHDSACASA-N 252.333 3.786 0 40 CHAB COc1ccc(C(C)(C)C)cc1C(=O)N1CCCCC1 72206458 MDVTXVDUEONTHW-UHFFFAOYSA-N 275.392 3.619 0 40 CHAB Cc1cncc([C@H]2CCCN2C(=O)OCc2ccccc2)c1 72211339 CNNXNFYXILWPFP-QGZVFWFLSA-N 296.370 3.864 0 40 CHAB O=CN1CCCC[C@@H]1c1cccnc1NC1CCCCC1 72214051 IZZSPQXIUFMQTN-MRXNPFEDSA-N 287.407 3.510 0 40 CHAB CC(=O)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72357545 SGYIAQZCZLVKAU-HNNXBMFYSA-N 298.361 3.614 0 40 CHAB OCc1ccc2nc(-c3ccc(F)cc3)sc2c1 73740307 LKIAKJIJBAOVIP-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB Cc1nn(C)c(C)c1[C@@H](C)NCc1ccc(Cl)c(F)c1 78553160 ASTLZTSCRGOWDR-SECBINFHSA-N 295.789 3.680 0 40 CHAB O=C(O)c1ccccc1-n1cc(-c2ccccc2Cl)cn1 94576855 ZELQMCNBVYDFNI-UHFFFAOYSA-N 298.729 3.891 0 40 CHAB CCc1ccccc1C(=O)c1ccc(F)c(F)c1F 95916901 MISLPPMMBCGAKJ-UHFFFAOYSA-N 264.246 3.897 0 40 CHAB CSCC[C@H](C)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 95968202 JANZJMDZOZZRQJ-ZOBUZTSGSA-N 292.492 3.553 0 40 CHAB C[C@H](CC1CCOCC1)Nc1cccc(-c2nccn2C)c1 97162180 IJDKBXQQMOKZLG-CQSZACIVSA-N 299.418 3.704 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)c1ccc(O)cc1)C2 100475790 WZBMPPVYPMMRNT-SUYBPPKGSA-N 274.360 3.764 0 40 CHAB OC1[C@@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 100672326 USAKVYHRWZXKIZ-YRXWBPOGSA-N 293.410 3.849 0 40 CHAB O=C(Nc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 101471389 UKOAZIHMBPIBPU-OUJBWJOFSA-N 264.756 3.650 0 40 CHAB CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102268971 IROFZCQXISOYQJ-CORIIIEPSA-N 275.779 3.511 0 40 CHAB O[C@H](c1ccccc1-c1ccccc1)C(F)(F)F 113537127 BGBIUILYNBOXDU-CYBMUJFWSA-N 252.235 3.949 0 40 CHAB Cc1ccc([C@H]2OCCN(Cc3ccccc3)[C@H]2C)cc1 140727647 MRJDEFWKIOSCAG-LPHOPBHVSA-N 281.399 3.957 0 40 CHAB Cc1ccc(CC(=O)NC(C)(C)Cc2ccccc2)cc1 222576803 SRHVZDPBFRCBHC-UHFFFAOYSA-N 281.399 3.675 0 40 CHAB CCNCc1cc(C)n(Cc2cccc(C)c2)c1C 223662694 WIVUSJJSMUUMGE-UHFFFAOYSA-N 256.393 3.571 0 40 CHAB COc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1Cl 225609173 CIPHGTOCADHEJB-HNNXBMFYSA-N 299.798 3.738 0 40 CHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)O)c1O)OC2(C)C 257277676 NYYDKMGOAGFOFU-YUSALJHKSA-N 290.359 3.781 0 40 CHAB Brc1cccc(Sc2ccccc2)n1 343324 GXCVCXCIVJREKE-UHFFFAOYSA-N 266.163 3.995 0 40 CHAB CC/C(=C/c1sc2ccc(C)cc2[n+]1CCO)SC 343723 XQFYHBLUNIAIHO-BENRWUELSA-N 294.465 3.603 0 40 CHAB COc1cc(NC(=O)c2cc(C)ccc2C)cc(OC)c1 514805 NDQVJSLVXRKSID-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 540093 ORKQYQAGSHHCQO-UHFFFAOYSA-N 258.708 3.654 0 40 CHAB aggregator Cc1cc(Cl)n2nc(C)c(-c3ccc(F)cc3)c2n1 1350551 FSPWWNIMFWGYMA-UHFFFAOYSA-N 275.714 3.806 0 40 CHAB Cc1ccc(Sc2ncnc3onc(C)c23)c(C)c1 1389835 POWABFRIRCLTCE-UHFFFAOYSA-N 271.345 3.694 0 40 CHAB O=C(Nc1cccc(F)c1)OCc1cnc(Cl)s1 1390064 RKWPMGQLPLSMRW-UHFFFAOYSA-N 286.715 3.684 0 40 CHAB O=C(O)c1ccccc1C(=O)c1ccc(F)c2ccccc12 1632843 DSPCPTRDZWFYJM-UHFFFAOYSA-N 294.281 3.908 0 40 CHAB c1ccc(N2N=N[C@@H]3CCCC[C@@]32N2CCCCC2)cc1 1720267 UETWMCKMAXGEOO-SJORKVTESA-N 284.407 3.999 0 40 CHAB CC(=O)Nc1ccc2c(Br)ccc3c2c1CC3 1723069 NEJXJRIUMGCZIP-UHFFFAOYSA-N 290.160 3.659 0 40 CHAB Cc1ccc(-c2cc[n+]3c(n2)oc2ccccc23)cc1 1855840 RLNLAKFPDDZELV-UHFFFAOYSA-N 261.304 3.542 0 40 CHAB Cc1cc(SCCC(=O)O)c2cc(Cl)ccc2n1 2349726 MYIVSFOTLPIJKN-UHFFFAOYSA-N 281.764 3.763 0 40 CHAB Cc1ccc2c(CN3CCC(C)CC3)cc(=O)oc2c1C 2349935 JCKOVZQVAQMUMJ-UHFFFAOYSA-N 285.387 3.642 0 40 CHAB biogenic C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 3449469 YYPQGOQESKTAIS-JTQLQIEISA-N 277.726 3.970 0 40 CHAB CCCCc1ccc(NC(=O)c2ccncc2)cc1 3897739 VKZFHDLLRDULMR-UHFFFAOYSA-N 254.333 3.677 0 40 CHAB O=C(O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 4342660 AFISNAKLTPIWMH-UHFFFAOYSA-N 299.713 3.527 0 40 CHAB CCOc1ccc(/C=C\C(=O)Nc2nc(C)cs2)cc1 4646399 QAQZYDQXKWMLGV-TWGQIWQCSA-N 288.372 3.502 0 40 CHAB COc1ccc(/C=C/c2nnc(Cc3ccccc3)o2)cc1 4657194 NNLICLFUOFDIEQ-FMIVXFBMSA-N 292.338 3.839 0 40 CHAB CC1CCC(N2CCC(N3CCC(C)CC3)CC2)CC1 4745820 ROFKVSGLSRGFIO-UHFFFAOYSA-N 278.484 3.761 0 40 CHAB C[C@@H](CC(=O)Nc1cccc(F)c1)c1ccccc1 5560124 MUZNZNSJBWDMEQ-LBPRGKRZSA-N 257.308 3.958 0 40 CHAB Cc1ccc([S@](=O)OC2C3CC4CC(C3)CC2C4)cc1 5812574 WVQBTXUGUZCNHC-OXMANWMHSA-N 290.428 3.859 0 40 CHAB CC(C)c1ccccc1-n1c(S)nnc1-c1cccnc1 6146373 ZIBSMSJQYYUMMU-UHFFFAOYSA-N 296.399 3.741 0 40 CHAB CCCNCc1ccc(OCc2ccccc2)c(OC)c1 6430906 HVZAMATWQYKWAJ-UHFFFAOYSA-N 285.387 3.774 0 40 CHAB Cc1ccccc1CSc1n[nH]c2nc3ccccc3n12 8131839 CRVYIQZOJYUHDO-UHFFFAOYSA-N 294.383 3.811 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc[nH]c1=S 8269022 ONSCQYPAFGXNGW-AWEZNQCLSA-N 284.384 3.552 0 40 CHAB CCCCOC(=O)c1cccc(-c2ccc(C=O)o2)c1 8729575 IBCISNWYHJRSRJ-UHFFFAOYSA-N 272.300 3.716 0 40 CHAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccccn1 10056638 VTJXTSONIXKFCD-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 10217290 PPROPVGLXUWQDO-UHFFFAOYSA-N 298.367 3.947 0 40 CHAB O=C(Nc1ccnn1C1CCCC1)c1cc(F)cc(F)c1 12737800 QEBCVCWNNBRQPZ-UHFFFAOYSA-N 291.301 3.529 0 40 CHAB Cc1ccc(-n2ncc(C(=O)Nc3ccccc3)c2C)cc1 12822257 QDSXUBDBHFPQPW-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB CSCc1ccc(C(=O)NCc2ccc(Cl)cc2)o1 12851396 WNLDUTWGEDYNGH-UHFFFAOYSA-N 295.791 3.726 0 40 CHAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cccn1 13005869 FHRBQSMRFKOWAQ-UHFFFAOYSA-N 285.391 3.769 0 40 CHAB Cc1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)o1 13013162 AJINEUORKFWSTM-VMPCVLLUSA-N 267.328 3.579 0 40 CHAB Cc1nc2ccccc2c(C)c1CC(=O)NC1CCCCC1 13140873 POOLKHKTGLVYNG-UHFFFAOYSA-N 296.414 3.843 0 40 CHAB Cc1ccsc1CN(Cc1sccc1C)C[C@@H](C)O 13991510 AMMIRMZXVDDNBN-CYBMUJFWSA-N 295.473 3.809 0 40 CHAB c1ccc(COc2ccc(OC[C@@H]3CCCNC3)cc2)cc1 14631249 ZGZUSJFOLZMTLE-QGZVFWFLSA-N 297.398 3.644 0 40 CHAB Cc1cc(-c2nnc(-c3cccc(F)c3)o2)cs1 16989980 PUEANYDDZMSROU-UHFFFAOYSA-N 260.293 3.913 0 40 CHAB Oc1[nH]c(=S)ncc1Oc1ccc(Cl)cc1Cl 17886718 GZOUVEFFNQFCEW-UHFFFAOYSA-N 289.143 3.944 0 40 CHAB O=C(Nc1ccccc1O)c1cc2ccccc2cc1O 21866407 NETKVQLBQSBWRC-UHFFFAOYSA-N 279.295 3.503 0 40 CHAB Cc1cc(Cl)cc2sc(NC[C@@H]3CCCO3)nc12 26423940 PTUAVKAEKINLCT-JTQLQIEISA-N 282.796 3.849 0 40 CHAB O=C(/C=C/c1c(Cl)cccc1Cl)NCC1CC1 27464463 ICPHZBXEWWOGMK-VOTSOKGWSA-N 270.159 3.533 0 40 CHAB COc1ccc([C@H](C)NC(=O)c2cc3ccccc3o2)cc1 32109855 RVNCILNNDNQMPE-LBPRGKRZSA-N 295.338 3.932 0 40 CHAB CCc1sc(C(=O)N2CCn3cccc3[C@@H]2C)cc1C 32787015 IWHNITAQZCRPHZ-LBPRGKRZSA-N 288.416 3.637 0 40 CHAB C[C@H](NC(=O)c1csc2ccccc12)c1ccco1 32859708 FEYHTWRZUMLFKR-JTQLQIEISA-N 271.341 3.985 0 40 CHAB OCc1cccc(NCc2cccc(C(F)(F)F)c2)c1 35045549 ZHBSXXVBAGDATF-UHFFFAOYSA-N 281.277 3.810 0 40 CHAB CC(C)(Cc1ccccc1)NC(=O)NC1CCCCC1 40621054 MDIWYGKETSBLGW-UHFFFAOYSA-N 274.408 3.640 0 40 CHAB Cc1cccc(CSCC(=O)NCc2cccs2)c1 44570700 BEWDTPWWRNZTHN-UHFFFAOYSA-N 291.441 3.606 0 40 CHAB O=C(c1cc(F)c(F)c(F)c1)c1ccc(F)cc1F 55238567 LJTMIOCAXBVFBL-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB Cc1ccoc1C(=O)N1CCC[C@H]1CCc1ccccc1 55486120 KHFDBXDLACXZRB-INIZCTEOSA-N 283.371 3.825 0 40 CHAB Fc1ccc(-c2nnn3c2nc(Cl)c2ccccc23)cc1 57351987 JGKZKYQAVVDQBV-UHFFFAOYSA-N 298.708 3.737 0 40 CHAB COc1ccc(Cl)c(-c2cccc(C(=O)O)c2OC)c1 65354114 FHMOBCHORWIEJE-UHFFFAOYSA-N 292.718 3.722 0 40 CHAB Cc1ccc(-c2cc3c(N4CCCC4)nccn3n2)c(C)c1 67285050 VAFWKHYFNFHGBG-UHFFFAOYSA-N 292.386 3.613 0 40 CHAB Cc1ccc(-c2cc(-c3ccccc3F)nc(N)n2)cc1 71977849 MZFIYSNBNWTMHC-UHFFFAOYSA-N 279.318 3.840 0 40 CHAB CNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72212504 YUMGXJVCUVTBKO-CYBMUJFWSA-N 291.395 3.585 0 40 CHAB CC(=O)N1CCC[C@@H]1c1cccnc1SC(C)(C)C 72217414 UMCHFHHDJYDSOX-CYBMUJFWSA-N 278.421 3.656 0 40 CHAB CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 75106602 XCCXKDRCIQRJCB-KBPBESRZSA-N 299.418 3.794 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2csc(C(C)C)n2)o1 79310819 QKKZVYXXOMSLTI-JTQLQIEISA-N 278.377 3.659 0 40 CHAB O=C([C@H]1C[C@@H]1c1ccco1)N(Cc1cccc(F)c1)C1CC1 84372462 FQBQDFHTHKXSOO-HOTGVXAUSA-N 299.345 3.713 0 40 CHAB Fc1ccccc1[C@H](NCc1ncc[nH]1)C1CCCC1 89813200 NBUFANICEHXCIY-MRXNPFEDSA-N 273.355 3.570 0 40 CHAB CC(C)n1cc(C(=O)NCCc2ccco2)c2ccccc21 95473289 SIQXAHNRIDRLIN-UHFFFAOYSA-N 296.370 3.788 0 40 CHAB CCCCc1nnc(NCc2cccc3cccnc23)o1 95990037 PTSASVQEMZOCEY-UHFFFAOYSA-N 282.347 3.573 0 40 CHAB CO[C@H](CNC(=O)Nc1cccs1)c1ccccc1C 96105174 VLYQCVHDBJQKSC-CYBMUJFWSA-N 290.388 3.566 0 40 CHAB CC/C=C(\C)C(=O)N[C@H](c1ncccc1C)C(C)C 96406298 ZRHLWHNYHJIVHC-CZAWJFPGSA-N 260.381 3.560 0 40 CHAB CCS[C@@H]1CC[C@@H](N(C)C(=O)c2sccc2OC)C1 96432364 YXXBLVTYILEIJL-GHMZBOCLSA-N 299.461 3.503 0 40 CHAB Cc1ccc([C@@H](C)NCc2csc([C@@H]3CCCO3)n2)o1 97374069 GIXBMROYNNZPTR-RISCZKNCSA-N 292.404 3.747 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)c1c2c(CO)nn1-c1ccccc1 100835151 JLWZFHQAVNHAJN-UGSOOPFHSA-N 282.387 3.540 0 40 CHAB C[C@H](NC(=O)CCc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102235942 IBWPVCBFEGOSML-RKTXRCNFSA-N 271.404 3.560 0 40 CHAB COCCCCC(=O)N(C)c1cccc(C(C)C)c1 121358172 OQEHIVCYISVMPV-UHFFFAOYSA-N 263.381 3.590 0 40 CHAB Cc1ccc(C)c(-c2cc(N)n(Cc3ccccc3)n2)c1 199750141 GSURUTZTHQWOEC-UHFFFAOYSA-N 277.371 3.797 0 40 CHAB Cc1c(C(N)=O)c2ccccc2n1Cc1cccc(Cl)c1 216946663 ZYPWXBCRIWBMJK-UHFFFAOYSA-N 298.773 3.750 0 40 CHAB CC(C)[C@@H](C(=O)O)N1c2ccccc2[C@@H](C)CC1(C)C 223209599 DQKMNBVHPPVOCK-WFASDCNBSA-N 275.392 3.888 0 40 CHAB CCCNCc1c(C)n(C)c2ccc(OCCC)cc12 223766980 RBBJBXWNUMXMCB-UHFFFAOYSA-N 274.408 3.775 0 40 CHAB Cc1oncc1CNC(=O)Nc1ccc(C(C)(C)C)cc1 575606283 UHKBABVMNCVWFS-UHFFFAOYSA-N 287.363 3.602 0 40 CHAB O=C(c1ccc(Cl)cc1Cl)N1CCC(F)(F)CC1 684518714 WTRWISPCGBGVOM-UHFFFAOYSA-N 294.128 3.865 0 40 CHAB CC(C)OC(=O)Nc1cccc(NC(=O)OC(C)C)c1 1600238 TTYORNHTKDRVNE-UHFFFAOYSA-N 280.324 3.600 0 40 CHAB c1ccc2nc(-c3ccc(N4CCOCC4)cc3)ccc2c1 1384437 KDWCKAVDJBJVGF-UHFFFAOYSA-N 290.366 3.738 0 40 CHAB COc1ccc(C)c(NC(=O)c2ccccc2Cl)c1 6206087 OHHMGFNOEXOOKC-UHFFFAOYSA-N 275.735 3.909 0 40 CHAB Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccccn2)c(C)c1 26184729 RUHBCOOJQHXRBD-HNNXBMFYSA-N 297.402 3.601 0 40 CHAB COc1ccc(C(C)(C)O)c(OCc2ccccc2)c1 84370344 JPNUSXGLZQNRNH-UHFFFAOYSA-N 272.344 3.502 0 40 CHAB in-vitro C[C@@]12O[C@@H](c3ccccc3)[C@](C)(O[C@H]1c1ccccc1)O2 104241574 VFGNCHIXZJGVRM-XLAORIBOSA-N 282.339 3.978 0 40 CHAB CC(C)c1ccccc1C(=O)[C@H]1CC[C@H](C(=O)O)CC1 100080549 DMGDRRLSYISNSU-BETUJISGSA-N 274.360 3.884 0 40 CHAB Cc1ccc(NC(=O)NCc2ccc(F)cc2)cc1F 13320212 ZMNQECWQVQKZOC-UHFFFAOYSA-N 276.286 3.595 0 40 CHAB C[C@H](N)Cc1cn(Cc2ccccc2)c2ccc(F)cc12 9422096 IMCYGPKIVVEORV-ZDUSSCGKSA-N 282.362 3.718 0 40 CHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1F 6888660 HGFXPEIWXYTCLH-UHFFFAOYSA-N 291.341 3.663 0 40 CHAB O=C(O)c1ccc(Sc2ccc(Br)cc2)o1 26442165 FFMLOMBVALCYAM-UHFFFAOYSA-N 299.145 3.892 0 40 CHAB C[C@@H](NC(=O)CC(F)(F)F)c1nc(C(C)(C)C)cs1 84667564 YUSHOOOGSFCGQE-SSDOTTSWSA-N 294.342 3.570 0 40 CHAB C[C@@H](Cc1nc(C2CC2)cs1)n1cc(Cl)cn1 68945788 HNNKZTOLOCRBJH-QMMMGPOBSA-N 267.785 3.674 0 40 CHAB Clc1ccccc1-c1nnc(SC[C@@H]2CCCO2)o1 69568646 RRXXMHACIQJQDI-VIFPVBQESA-N 296.779 3.661 0 40 CHAB CSc1ccc([C@H](C)NC(=O)c2cccs2)cc1 20025454 NOUVAHKLFHOORE-JTQLQIEISA-N 277.414 3.961 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cn1 22413568 NCNJBKZCLDWXAE-UHFFFAOYSA-N 283.356 3.560 0 40 CHAB CCNc1nnc(S[C@@H]2CCc3ccccc3C2)s1 95941659 UUNIDQTZNSXNLT-GFCCVEGCSA-N 291.445 3.620 0 40 CHAB Cc1cc(C(=S)N2CCCCC2)c(C)n1C1CC1 409193956 ITXRXWAHYQGDRT-UHFFFAOYSA-N 262.422 3.601 0 40 CHAB c1nc(Nc2ccc3c(c2)CCCO3)c2sccc2n1 506741535 IYRVBZBRIPVAGN-UHFFFAOYSA-N 283.356 3.760 0 40 CHAB CCc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1 35188763 ITLXIIGJDNODDY-GFCCVEGCSA-N 269.344 3.555 0 40 CHAB CC[C@@H](C)NC(=S)Nc1ccc(Br)cc1 13820791 HEPYVTSPVSJYBA-MRVPVSSYSA-N 287.226 3.534 0 40 CHAB Cc1ccc([C@@H](C)NC(=S)Nc2ccncc2)cc1C 225708808 SSIYOKLPDHMDGA-CYBMUJFWSA-N 285.416 3.746 0 40 CHAB CCCCc1ccc(C(=O)c2ncccc2C)cc1 45028680 OYXNFGSUQRCZDI-UHFFFAOYSA-N 253.345 3.964 0 40 CHAB Brc1ccc(-c2ccc3c(c2)OCO3)cc1 84197306 HVDOFSPYIFMJIY-UHFFFAOYSA-N 277.117 3.845 0 40 CHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)c1ccccc1 96026237 OKAWWFSAXRSGIK-ZDUSSCGKSA-N 297.354 3.606 0 40 CHAB C[C@H](O)CNc1cc(-c2ccccc2)c2ccccc2n1 46341280 AHVXZGAQRNLPDT-ZDUSSCGKSA-N 278.355 3.695 0 40 CHAB C[C@H](Cc1ccc(O)cc1)NCc1ccccc1Cl 105447710 KFZKMUCERXDYQC-GFCCVEGCSA-N 275.779 3.766 0 40 CHAB CCS[C@H](C)C[C@@H]1CC(=O)c2c(CC)noc2C1 5470427 RNANQWURTQNRTD-NXEZZACHSA-N 267.394 3.514 0 40 CHAB C[n+]1ccc(/C=C/c2csc3ccccc23)cc1 1701109 WJJQXHCDALWWAE-VOTSOKGWSA-N 252.362 3.896 0 40 CHAB CC(C)CC(=O)Nc1cc(Cl)c2nc(N)sc2c1 226308741 INJYEDVVABMEMC-UHFFFAOYSA-N 283.784 3.517 0 40 CHAB Cc1cccc(NC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 102588761 LMBPCPDQHYOTBR-ORIJERBGSA-N 272.392 3.941 0 40 CHAB Cc1ccc(C)c(NC(=O)C2[C@H]3[C@@H]4CC[C@H](C4)[C@@H]23)c1 100071500 VDPKAVIQEVJVSR-PCUAHHGDSA-N 255.361 3.534 0 40 CHAB c1ccc2c(c1)C[C@@H]1OC(c3nccc4ccccc34)=N[C@H]21 1911925432 NCKOPXFDULSZAA-DLBZAZTESA-N 286.334 3.678 0 40 CHAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCC1CCCCC1 30658184 ZLCLHHROQIIUDV-UHFFFAOYSA-N 299.418 3.882 0 40 CHAB O=C(c1ccc(Cl)cc1)N(Cc1ccncc1)C1CC1 50821846 UNTLBMAXMASQOK-UHFFFAOYSA-N 286.762 3.540 0 40 CHAB O=C(NC1CCCCCC1)c1ccc(C(F)(F)F)cn1 32903027 IMTVLWLLDKLEJU-UHFFFAOYSA-N 286.297 3.553 0 40 CHAB FC(F)(F)c1ccnc(Nc2ccc3c(c2)CCC3)n1 32908926 HPFMZRJHCVBQGV-UHFFFAOYSA-N 279.265 3.728 0 40 CHAB CC(=O)c1c(OCCC(C)C)ccc2c(C)cc(=O)oc12 485450 HDKFJQFNUFROSB-UHFFFAOYSA-N 288.343 3.729 0 40 CHAB biogenic COc1ccc(F)cc1-c1cc(C(=O)O)c2ccccc2n1 874143 PYSPJMXCBQCLGD-UHFFFAOYSA-N 297.285 3.748 0 40 CHAB O=C1c2ccc(Cl)cc2C(=O)N1c1cccc(Cl)c1 993549 LOWABJUTVBLMES-UHFFFAOYSA-N 292.121 3.794 0 40 CHAB Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 3159902 KLORATCDRSXVPO-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB CCOc1ccccc1NC(=O)/C=C/c1ccccc1OC 1918825 LWPHNGSXAXAURT-OUKQBFOZSA-N 297.354 3.746 0 40 CHAB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 2565412 VZGLHJNTAOXFLL-UHFFFAOYSA-N 289.400 3.519 0 40 CHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 3560987 VJPIYFVJLCHCAT-UHFFFAOYSA-N 299.223 3.977 0 40 CHAB COC(=O)c1ccc(-c2nc3ccccc3s2)cc1 4294189 MYUMLXZWCCZJLK-UHFFFAOYSA-N 269.325 3.750 0 40 CHAB CCC(CC)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 8586759 BFKOEJYNDPCWOQ-SECBINFHSA-N 266.410 3.643 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)cc1C 22367278 CVXFRCBHWZHKPT-CQSZACIVSA-N 283.371 3.803 0 40 CHAB O=C(CCc1ccccc1Cl)N[C@H]1C[C@@H]2CC[C@@H]1C2 101639655 DUQJWIPSEZYZQQ-KYOSRNDESA-N 277.795 3.577 0 40 CHAB CCCn1nccc1C(=O)Nc1ccc(Cl)cc1Cl 28241433 JPRGSGYHPYAONA-UHFFFAOYSA-N 298.173 3.852 0 40 CHAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1nc(-c2ccccc2)c[nH]1 58194258 JRMIMOLWSFNTFH-KGLIPLIRSA-N 295.386 3.610 0 40 CHAB Cc1c(NC(N)=S)cccc1-c1nc2ccccc2s1 20158804 KJANITMOXOYHKG-UHFFFAOYSA-N 299.424 3.927 0 40 CHAB Cc1c(NC(=O)c2cc3ccccc3o2)cccc1C(=O)O 20295760 HCUVMHGJHOBFJU-UHFFFAOYSA-N 295.294 3.692 0 40 CHAB O=C(Nc1noc(-c2ccc(Cl)cc2)n1)c1ccccc1 28290136 AINVZGPCRVVQCP-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB CC(C)c1ccc(C2(O)CCN(C(C)C)CC2)cc1 55241254 WQBUETUKVZJWDL-UHFFFAOYSA-N 261.409 3.502 0 40 CHAB C[C@H](c1cccs1)N(C)Cc1cccc2c1NCC2 97020274 YJUUBJXGIXOEJG-GFCCVEGCSA-N 272.417 3.909 0 40 CHAB O=C(/C=C/c1cccs1)Nc1ccc(F)cc1F 3208437 IKKZJSZJWYISBL-GQCTYLIASA-N 265.284 3.678 0 40 CHAB Cc1cc(C(=O)OCC(=O)c2ccc(Cl)s2)c(C)o1 3412830 GDJSGXFIKFLGDW-UHFFFAOYSA-N 298.747 3.651 0 40 CHAB O=C(NCc1cccs1)c1cc2c(s1)CCCC2 3557825 DMGLLAVFSIJVKS-UHFFFAOYSA-N 277.414 3.618 0 40 CHAB Brc1ccc2[nH]cc(Br)c2c1 21982337 NGTBILHUFBABDS-UHFFFAOYSA-N 274.943 3.693 0 40 CHAB CCCCOc1ncnc2c1[nH]c1ccc(C)cc12 13865253 MJISRSSBMBFIOM-UHFFFAOYSA-N 255.321 3.598 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](C)C1 6254076 QYJDOPYNLGLCHV-LBPRGKRZSA-N 284.359 3.522 0 40 CHAB CCc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 6561400 KUKVSHBNCMBBDX-HEHGZKQESA-N 259.393 3.804 0 40 CHAB O=C(CCc1ccco1)Nc1ccc(Br)cc1 9502562 SOYOOMIIALAUEU-UHFFFAOYSA-N 294.148 3.613 0 40 CHAB CCCCNC(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28221014 PZMSVTZUVWLYGF-CQSZACIVSA-N 285.391 3.638 0 40 CHAB O=C(NC1CCCC1)c1ccc(-c2ccc(F)cc2)o1 7951051 YYZZRDGDHLLMOB-UHFFFAOYSA-N 273.307 3.758 0 40 CHAB C(=C/Sc1nnc(-c2ccncc2)o1)\Cc1ccccc1 9614886 GXHPTUGJJHIVFI-UUILKARUSA-N 295.367 3.980 0 40 CHAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nccc3N2)s1 8782310 XVDUXCIJVMKPGD-WPRPVWTQSA-N 287.310 3.913 0 40 CHAB Cc1csc([C@H](N[C@H](C)CC2CC2)C2CC2)n1 95423329 MWANTBSXULGPNE-NOZJJQNGSA-N 250.411 3.681 0 40 CHAB c1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 55211067 NUCZYEHNXNPWBA-SFHVURJKSA-N 260.340 3.670 0 40 CHAB COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1 186854549 XSESIYQYJWVFMK-UHFFFAOYSA-N 284.340 3.557 0 40 CHAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 78459011 HLFJJDZJPWWLKF-CQSZACIVSA-N 283.371 3.803 0 40 CHAB O=C(O)c1scc(-c2ccccc2)c1-n1cccc1 34438237 IJOPGZWVTUFKFJ-UHFFFAOYSA-N 269.325 3.904 0 40 CHAB Cc1ccc(NC(=O)c2cnc(C(C)C)nc2C)c(C)c1 75437005 CIKICRYVNLYHSQ-UHFFFAOYSA-N 283.375 3.778 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1N 37014736 BDDZASDVVXTQRE-UHFFFAOYSA-N 276.339 3.983 0 40 CHAB O=C(NCc1ccc(Cl)cc1)N1CCC(=C2CC2)CC1 238895374 QZHNTYIXMHEUBU-UHFFFAOYSA-N 290.794 3.736 0 40 CHAB CC(C)Oc1ccccc1C[S@](=O)Cc1ccccc1 78556027 AVNJNRZVMWFVIY-FQEVSTJZSA-N 288.412 3.923 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H]1c1ccncc1 84490471 XTSLBIOIUIBAOH-QGZVFWFLSA-N 291.354 3.540 0 40 CHAB Brc1ccc(SCC2CCNCC2)cc1 43498192 NVDLWIIJFGTPEY-UHFFFAOYSA-N 286.238 3.541 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1 226273490 QVMFASDLOKDPOE-ZDUSSCGKSA-N 299.370 3.781 0 40 CHAB CC[C@@H](C(=O)O)N1c2c(C)cccc2C(C)=CC1(C)C 223196576 LKBABKVWGFABPK-AWEZNQCLSA-N 273.376 3.860 0 40 CHAB FC(F)(F)CNc1ccc(OCC(F)(F)F)cc1 64370274 FDHVWRTVTDGFPS-UHFFFAOYSA-N 273.176 3.602 0 40 CHAB in-vitro CC[C@@H](C)N1C(=O)CC[C@H]1c1c(C)n(C)c2ccccc12 85430337 LTGOYYRQYNHPNS-WBMJQRKESA-N 284.403 3.949 0 40 CHAB CN(C)c1ncc(C(F)(F)F)cc1-c1ccccc1 91695437 OEWOMUMADIKWDW-UHFFFAOYSA-N 266.266 3.833 0 40 CHAB Cc1nn(CC(C)C)cc1NCc1cc(F)cc(F)c1 256050044 CKQQDFCSTOTVDW-UHFFFAOYSA-N 279.334 3.738 0 40 CHAB COc1ccccc1C[C@@H](C)N[C@H](C)c1ncc(C)s1 96479086 GCKOMLZPWFBVLY-DGCLKSJQSA-N 290.432 3.742 0 40 CHAB Cc1ccc([C@H](C)NCc2csc([C@H]3CCCO3)n2)o1 97374075 GIXBMROYNNZPTR-SMDDNHRTSA-N 292.404 3.747 0 40 CHAB Clc1ccc(-c2cccc(-c3ccccn3)n2)nc1 1505957806 PIFXZRBBVQZCBB-UHFFFAOYSA-N 267.719 3.859 0 40 CHAB CCOC(=O)Cc1csc(Nc2ccccc2CC)n1 106141637 PKQZQZJYVPPSMQ-UHFFFAOYSA-N 290.388 3.555 0 40 CHAB C[C@@]12O[C@H](c3ccccc3)[C@@](C)(O[C@H]1c1ccccc1)O2 5568138 VFGNCHIXZJGVRM-MHORFTMASA-N 282.339 3.978 0 40 CHAB CC(C)c1ccc([C@@H](Cc2ccccc2)NCCO)cc1 5963399 IITFQIXOUXZPGR-LJQANCHMSA-N 283.415 3.676 0 40 CHAB c1ccc(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)cc1 12415362 WSDACFOWNYFYPU-UHFFFAOYSA-N 288.310 3.794 0 40 CHAB Cc1ccc(C)c(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 16191123 XJQAVJKSOFJMHN-GUTXKFCHSA-N 274.433 3.778 0 40 CHAB COC(=O)CCCCC(=O)c1ccc(Cl)c(Cl)c1 166486607 JSXXWBSTKPNVQR-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB Cc1cc(Cl)nc2c1c(-c1cccs1)nn2C 161121 JBCXESZTFFEQFF-UHFFFAOYSA-N 263.753 3.659 0 40 CHAB CC[C@H](C)NC(=O)c1ccccc1OCc1ccccc1 10120493 YDJRCOMMRGHJDX-AWEZNQCLSA-N 283.371 3.794 0 40 CHAB O=C(Cc1ccccc1F)N[C@H](c1cccs1)C1CC1 11235245 AHBNVYAZHDSMPA-INIZCTEOSA-N 289.375 3.697 0 40 CHAB O=C(Nc1ccc(F)c(F)c1F)c1cc(F)ccc1F 12776358 UTAFEKIBCGQBME-UHFFFAOYSA-N 287.187 3.634 0 40 CHAB CC[C@H](N)C1=Nc2cccc(F)c2CN1c1ccccc1 2002106534 AHLUPSFGGFXPHF-HNNXBMFYSA-N 283.350 3.613 0 40 CHAB O=C(CCC1CCCC1)c1ccc(N2CCOCC2)cc1 575358840 UCTWIMKXPYLQNM-UHFFFAOYSA-N 287.403 3.676 0 40 CHAB COc1cccc(Cc2csc(Nc3cccnc3)n2)c1 211138531 XLVJTPFDKOGDIH-UHFFFAOYSA-N 297.383 3.881 0 40 CHAB CN1C(=O)c2ccccc2N[C@H]1C1=CC[C@H]2C[C@H]1C2(C)C 100707523 TWQKNYYJGNACDU-SGIREYDYSA-N 282.387 3.503 0 40 CHAB O=C(Cc1ccc(F)cc1)Nc1cccc2cccnc12 363346 ASHJDNWSYVAWSL-UHFFFAOYSA-N 280.302 3.555 0 40 CHAB CC(C)=CC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 22833541 GQUOTEMKQUVWQY-UHFFFAOYSA-N 291.354 3.906 0 40 CHAB Cc1ccc(OCC(=O)Oc2cc(C)cc(C)c2)cc1 129687 OHRZTKFTBDGJQC-UHFFFAOYSA-N 270.328 3.596 0 40 CHAB CCOc1ccccc1/C=C1/C(=O)Nc2ccccc21 136963 MEZFKCPUSMBMAY-SDNWHVSQSA-N 265.312 3.578 0 40 CHAB Cc1cc2c(cc1C)[C@@H](c1cccc(F)c1)CC(=O)N2 139784 BHTBGORNGVAWEX-CQSZACIVSA-N 269.319 3.917 0 40 CHAB Cc1ccc(NC(=O)CCCc2ccccc2)cc1 365624 YDYWJEYZYHPIMX-UHFFFAOYSA-N 253.345 3.956 0 40 CHAB Nc1c(Cl)cc2oc(-c3ccncc3)nc2c1Cl 570171 ALJVQIMNGILFGZ-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB O=C(C1CC1)n1ccc(-c2cnc(-c3ccccc3)s2)n1 1392364 ZWJAWCZKEQVRNF-UHFFFAOYSA-N 295.367 3.724 0 40 CHAB CCn1c2ccc(N(C)C)cc2c2cc(N(C)C)ccc21 1610804 HWMNDOOCAWHVEC-UHFFFAOYSA-N 281.403 3.946 0 40 CHAB O[C@@H](c1cc2c(c3ccccc13)CCCC2)[C@@H]1CCCCN1 1706372 OBRVSZOCVKHAJH-PMACEKPBSA-N 295.426 3.894 0 40 CHAB CCN(CC)c1nc(C)nc2sc3c(c12)CC[C@H](C)C3 3399354 XCDHSWYBKQKJSU-JTQLQIEISA-N 289.448 3.971 0 40 CHAB CCOc1ccc(/C=C/c2nc3ccccc3c(=O)o2)cc1 3901224 YWMKDBFOKPBCSO-FMIVXFBMSA-N 293.322 3.757 0 40 CHAB C[P@](=O)(O)[C@H](c1ccc(Cl)cc1)C(F)(F)F 4119571 XRQKKNWQJRBVFE-MRVPVSSYSA-N 272.590 3.844 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(F)c(Cl)c1 5616695 PTSGXPUQBJHPLU-YGRLFVJLSA-N 299.773 3.553 0 40 CHAB Cc1nc2ccccc2nc1COc1ccccc1 5724523 LHZIQMKMMKYAKX-UHFFFAOYSA-N 250.301 3.517 0 40 CHAB CCCNCc1ccc(OCc2cccs2)cc1 6430948 PSIDEGDAIXEQTM-UHFFFAOYSA-N 261.390 3.827 0 40 CHAB Cc1cc(C(=O)N[C@H]2CCSc3ccccc32)c(C)o1 6649150 DIZBQSWUBOSQID-AWEZNQCLSA-N 287.384 3.863 0 40 CHAB O=C1NC2(CCCCC2)N=C1c1ccc(Cl)cc1Cl 9599244 UEFPMVJFCOWSHU-UHFFFAOYSA-N 297.185 3.573 0 40 CHAB Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1F 10372996 HKOJDBZWWILARV-UHFFFAOYSA-N 297.373 3.986 0 40 CHAB Cc1ccc(O)c(C(=O)N[C@H](C)c2ccccc2C)c1 12767447 BSMWXTAWYRVTJZ-CYBMUJFWSA-N 269.344 3.500 0 40 CHAB O=C(NC[C@@H]1CCCc2ccccc21)[C@H]1CC=CCC1 13004365 VXDYCRLRCQKWDF-HOTGVXAUSA-N 269.388 3.579 0 40 CHAB Cc1cc2oc(=O)cc(CN(C)C3CCCC3)c2cc1C 14197035 DEIUILSEKKJXHU-UHFFFAOYSA-N 285.387 3.784 0 40 CHAB Cc1ccccc1CNC(=O)c1ccc(F)cc1Cl 18833960 HLOZYLRNLDPKDG-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccn1 26186594 CBXPDWNHIGNCKV-KBPBESRZSA-N 283.375 3.511 0 40 CHAB Cc1ccc(CN(C)C(=O)COc2ccc(C)c(C)c2)cc1 30854042 BTSAOUREAMFIJX-UHFFFAOYSA-N 297.398 3.649 0 40 CHAB CCc1ccc2ncnc(NCCc3ccccc3)c2c1 32541118 DGSCWWJHDPMBEQ-UHFFFAOYSA-N 277.371 3.847 0 40 CHAB COc1ccc2nc(Oc3ccc(F)cc3)c(C=O)cc2c1 32826034 NKKSKDKGTXJMMX-UHFFFAOYSA-N 297.285 3.987 0 40 CHAB Cc1n[nH]cc1CN[C@H](c1ccc(F)cc1)C(C)(C)C 37119209 RHYQFWXQSWYBTH-OAHLLOKOSA-N 275.371 3.734 0 40 CHAB COc1ccc(Cl)cc1C(=O)c1ccc(F)cc1 37354544 OCNFSJMEFGRDHJ-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB CCCCOc1ccc(CCNC(=O)C2CCCC2)cc1 40122366 JEDQQJPIPCLEBV-UHFFFAOYSA-N 289.419 3.714 0 40 CHAB C/C=C/C=C/C(=O)Nc1ccccc1N1CCCCC1 40160985 DAJHKQHGQYTAAV-AYFNZWQASA-N 270.376 3.748 0 40 CHAB Cc1ccc(NCc2n[nH]c(-c3cccc(C)c3)n2)cc1 40174489 GEZFSJHIQLPXBS-UHFFFAOYSA-N 278.359 3.701 0 40 CHAB CSc1ccc(CN(C)C(=O)Cc2cccs2)cc1 40457438 JPPCRLYPFHNHSM-UHFFFAOYSA-N 291.441 3.671 0 40 CHAB CC(C)c1cc(Cl)ccc1OC[C@H]1CCCNC1 42775180 ZZCCJPIMFDWYIW-LBPRGKRZSA-N 267.800 3.842 0 40 CHAB Cc1ccc(CCC2CCN(Cc3nnc(C)o3)CC2)cc1 53847569 DGHDKGGKTDYWPE-UHFFFAOYSA-N 299.418 3.531 0 40 CHAB COC(=O)c1cc(-c2ccccc2)cc(Cl)c1OC 57339889 CYGUBBQMEBVVNF-UHFFFAOYSA-N 276.719 3.802 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1C 59351201 ZSLRECYCRLMILL-CVEARBPZSA-N 297.398 3.948 0 40 CHAB Clc1cc(Cl)c2oc(C3CCNCC3)nc2c1 62541562 YIUIUEOYYHOXQF-UHFFFAOYSA-N 271.147 3.602 0 40 CHAB CC1CCC(N(C)C(=O)c2nc(C(C)C)cs2)CC1 63474941 INTYJTPVBOGQNE-UHFFFAOYSA-N 280.437 3.917 0 40 CHAB Fc1cccc(Oc2nccc(C(F)(F)F)n2)c1F 68916920 DHOUEKDHBWDZSO-UHFFFAOYSA-N 276.164 3.566 0 40 CHAB CC1=C[C@@H](CN)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 72320805 CABHCRDFMNBKDD-JYJNAYRXSA-N 297.446 3.919 0 40 CHAB biogenic,in-vitro Cc1nccc([C@@H]2CCCCN2Cc2ccccc2)n1 72379991 LXPAICJYVKKCAB-KRWDZBQOSA-N 267.376 3.512 0 40 CHAB FC(F)(Sc1ccc(Cl)cc1)c1nnco1 85397076 ZLGAIATWLOAHJE-UHFFFAOYSA-N 262.668 3.565 0 40 CHAB CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cccc(F)c1 89669271 IXDYOPGZRDPWBF-SFHVURJKSA-N 296.345 3.832 0 40 CHAB O=C(Nc1cccc(Cl)c1)NC1(CCO)CCCCC1 89774652 KCWJFETYZHVIQA-UHFFFAOYSA-N 296.798 3.547 0 40 CHAB Cc1cc(Cl)cc(=O)n1Cc1ccccc1Cl 95098136 ZQGBCFOEAMHOIK-UHFFFAOYSA-N 268.143 3.512 0 40 CHAB Cc1ccccc1CN(C[C@@H]1CCCCO1)C(C)C 95389764 HRCRQWMMADSRDE-KRWDZBQOSA-N 261.409 3.775 0 40 CHAB Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccncc1 95430770 PEKCERRVRFIUMT-LLVKDONJSA-N 290.363 3.648 0 40 CHAB CCC1CCC(CNC(=O)C(C)(C)c2cccnc2)CC1 95456837 AOVQMFJINVMGQF-UHFFFAOYSA-N 288.435 3.692 0 40 CHAB CCC(=O)c1cc(F)c(F)c(OCCC(C)C)c1 95739919 DHNGZZVFBTVNRV-UHFFFAOYSA-N 256.292 3.982 0 40 CHAB COc1ccc(C(=O)c2cc(F)cc(Cl)c2)cc1 95916202 BPHPAIPECVHHCF-UHFFFAOYSA-N 264.683 3.719 0 40 CHAB COC(=O)CC(C)(C)CC(=O)Nc1c(C)cc(C)cc1C 97032068 YFTJFQBGHVEFLV-UHFFFAOYSA-N 291.391 3.530 0 40 CHAB Cc1noc(C)c1N(C)C(=O)c1cc(Cl)ccc1Cl 98016377 VJFLBGMIAFENEB-UHFFFAOYSA-N 299.157 3.875 0 40 CHAB Cc1nc(S)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 101264099 YCZNZRUNJQNQBS-MROQNXINSA-N 250.411 3.786 0 40 CHAB Cc1cc(NCc2ccc(F)cc2)nn1CC(C)C 256050584 FQFYQHOYMBHXKS-UHFFFAOYSA-N 261.344 3.599 0 40 CHAB CCN(CC)C(=O)c1ccc(-c2ccc(C)cc2)nc1C 257173265 IAISOLDYTRFZEB-UHFFFAOYSA-N 282.387 3.847 0 40 CHAB CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 260772557 UQCMNZLPOBTEJQ-COPLHBTASA-N 293.794 3.657 0 40 CHAB COC(=O)CCCCC(=O)c1c(Cl)cccc1Cl 575360976 XILCNGPOJDWACP-UHFFFAOYSA-N 289.158 3.910 0 40 CHAB Cc1nc(CN2CCC3(CC2)CCC(C)(C)OC3)cs1 1615190060 BRSMUHHJWQGYCJ-UHFFFAOYSA-N 294.464 3.623 0 40 CHAB CC(=O)Nc1nc(-c2c(C)n(C)c3ccccc23)cs1 1889191557 HTKMLJSSLUJUNG-UHFFFAOYSA-N 285.372 3.569 0 40 CHAB CC[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 311197 KIOZEHLLWAPETJ-INIZCTEOSA-N 269.344 3.828 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1C 514132 YTRYIJJNPKJQJE-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1cccc2nc(CNc3nc4ccccc4s3)cn12 809970 BRSWQKGAOFNRFR-UHFFFAOYSA-N 294.383 3.865 0 40 CHAB CCOc1ccc(N2C(C)=CC(C)(C)N=C2S)cc1 1250918 NVDNJITZYXZQRE-UHFFFAOYSA-N 276.405 3.874 0 40 CHAB COc1ccc2c(c1)[C@@](C)(c1ccccc1)C[C@H](C(=O)O)C2 1615615 AEOUKUJQOHNJCC-AUUYWEPGSA-N 296.366 3.648 0 40 CHAB Nc1ccc(SCc2nc3cccc4c3n2CCC4)cc1 1649010 OFQOKXWRXUGCBR-UHFFFAOYSA-N 295.411 3.857 0 40 CHAB O=C(CCc1ccccc1)c1cc(F)c(F)c(F)c1 2516354 LIXOTXDDQMXBQT-UHFFFAOYSA-N 264.246 3.919 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1O 3160175 SGTDOUCYBMMZPH-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB COc1cc2ccccc2cc1C(=O)O[C@@H]1CCCCC1=O 3319860 USGNAZMWXGGNJS-MRXNPFEDSA-N 298.338 3.517 0 40 CHAB CCc1ccc(NC(=O)CNc2cc(F)ccc2C)cc1 3432579 UIRZECSRCNWXNN-UHFFFAOYSA-N 286.350 3.747 0 40 CHAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)O 3887822 TXZZVNJBDDMPDJ-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB c1ccc([C@H]2Nc3ccccc3[C@H]3OCC[C@H]23)cc1 3905454 LZVNOMSZAGXFQZ-DJIMGWMZSA-N 251.329 3.931 0 40 CHAB O=C(O)C1(c2c(F)cccc2Cl)CCCCC1 4262370 YOCRQRLRAGTUCP-UHFFFAOYSA-N 256.704 3.766 0 40 CHAB COc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 4685179 POFCVTVKUFGZAC-UHFFFAOYSA-N 272.373 3.813 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(F)cc1 5458152 DGGZOKCPDOVJAL-SECBINFHSA-N 279.261 3.595 0 40 CHAB COc1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 5873151 BHCXIARNRPYNDN-LBPRGKRZSA-N 287.384 3.815 0 40 CHAB O=C(CCC1CCCC1)N[C@@H]1CCOc2ccccc21 7214903 AKIKCAIIKBEGHG-OAHLLOKOSA-N 273.376 3.597 0 40 CHAB Cc1ccc(NC(=O)CSCC(C)C)cc1C 7974906 YIBSJGNINUQSSE-UHFFFAOYSA-N 251.395 3.631 0 40 CHAB Cc1nn(C)c(C)c1/C=C/c1ccc2ccccc2n1 7988894 DNTZYHCKRNYQFT-ZHACJKMWSA-N 263.344 3.756 0 40 CHAB O=C(O)c1ccc(CNc2ccc3ccccc3c2)o1 8702271 DACDILXQSDYTBT-UHFFFAOYSA-N 267.284 3.743 0 40 CHAB O=C(CSc1nc2ccccc2[nH]1)c1ccccc1F 12486775 YVNIZLGFTLMNOQ-UHFFFAOYSA-N 286.331 3.677 0 40 CHAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1F 12949174 QCCULBJXIBXPBO-VHSXEESVSA-N 289.272 3.677 0 40 CHAB CCCCc1ccc(NC(=S)NC(C)C)cc1 13789532 BJMWUXKAAKLCGK-UHFFFAOYSA-N 250.411 3.724 0 40 CHAB CCCCCNC(=S)Nc1cccc(Cl)c1 13818873 CCHTWHRFNUVUHD-UHFFFAOYSA-N 256.802 3.817 0 40 CHAB O=C(CCOc1ccccc1)Nc1ccc2c(c1)CCC2 14665075 JWFVREOWIIZQRN-UHFFFAOYSA-N 281.355 3.583 0 40 CHAB C[C@H]1CCc2c(sc3c2[C@H](c2ccncc2)CC(=O)N3)C1 15085216 QOAWQQMAPPNTDG-GWCFXTLKSA-N 298.411 3.742 0 40 CHAB CCOc1ccccc1CNc1ccc(OC)cc1 19964692 IGJQPPYTJHAODK-UHFFFAOYSA-N 257.333 3.706 0 40 CHAB Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 20081506 ICFAOMSCRJEMSN-UHFFFAOYSA-N 266.369 3.983 0 40 CHAB c1ccc2c(N3CCCC3)nc(-c3ccsc3)nc2c1 22796320 FNSWVUAOWGOKLC-UHFFFAOYSA-N 281.384 3.959 0 40 CHAB C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)N1CCCCC1 27988370 AKQVDWQQRKYCOZ-ZZFFKQLHSA-N 275.436 3.646 0 40 CHAB Cc1cc2ncn(C[C@H](O)c3ccccc3F)c2cc1C 28913498 SQIBFAFTIQURDQ-KRWDZBQOSA-N 284.334 3.526 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)C[C@@H]1C=CCC1 32781360 CTKQAIMKTOPZCP-OCCSQVGLSA-N 275.417 3.940 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 33028604 HZTMJYUGQMQDBE-YUSALJHKSA-N 251.395 3.611 0 40 CHAB Cc1cc(Br)cnc1N1CCCCCC1 42783634 GWGWFRKNWMTQMU-UHFFFAOYSA-N 269.186 3.533 0 40 CHAB CC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccccc1 51627797 MCOJPEILIGRSCO-IAGOWNOFSA-N 273.351 3.600 0 40 CHAB CCCN(C(=O)Nc1cc(C)on1)[C@H]1CCc2ccccc21 58195958 MZULCXMYDNINOQ-HNNXBMFYSA-N 299.374 3.914 0 40 CHAB CCCN1CCC[C@@H]1c1ccc(N[C@@H](C)CC)nc1 72213507 FIZLAPMVBYATNF-DZGCQCFKSA-N 261.413 3.839 0 40 CHAB c1ccc(CCCN2CCCC[C@@H]2c2ncc[nH]2)cc1 75104895 FVSHQMFWURZDDJ-MRXNPFEDSA-N 269.392 3.570 0 40 CHAB Cc1ccc(-c2noc(-c3ccccc3C(=O)O)n2)c(C)c1 89262301 FLCBOQBRDTVYAB-UHFFFAOYSA-N 294.310 3.719 0 40 CHAB CC1(C)Oc2cc(Br)ccc2OC1(F)F 91252147 XGQCWIARBINCPP-UHFFFAOYSA-N 279.080 3.592 0 40 CHAB CC[C@@H]1CCCCCN1C(=O)c1ccc2[nH]c(C)nc2c1 95468196 ZFFHIFZIFBJTLB-CQSZACIVSA-N 285.391 3.666 0 40 CHAB CC[C@@H](c1ccccc1)c1nnc(NCc2cccnc2)o1 97036878 TYRZZTKYINNVPY-HNNXBMFYSA-N 294.358 3.619 0 40 CHAB CC(=O)Nc1cccc([C@H](C)Nc2ccc3c(c2)COC3)c1 97038472 QSPXGULEAYNAKM-LBPRGKRZSA-N 296.370 3.848 0 40 CHAB CC1(C)O[C@@H](c2ccccc2)[C@@H]2C[C@@H]1CC[C@@]2(C)O 101554140 LEVCRGWPKKRIOU-QBYUYEEZSA-N 260.377 3.704 0 40 CHAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3C(=O)[C@@H](C)CC[C@@H]32)C1 102807149 GOCNYSCJLWRRBG-OZZRIEOOSA-N 290.403 3.670 0 40 CHAB biogenic COc1cccc(-c2c[nH]c(-c3cccs3)n2)c1 146404150 NNKRLLOTVTUEDZ-UHFFFAOYSA-N 256.330 3.814 0 40 CHAB Cc1ccc2c(C=O)cn(C(=O)OCc3ccccc3)c2c1 199813502 SVRXNPVMWOENAB-UHFFFAOYSA-N 293.322 3.947 0 40 CHAB Nc1ccc(-c2noc(CCc3ccccc3)n2)c(Cl)c1 225175389 CTPLISMJFIYUOH-UHFFFAOYSA-N 299.761 3.757 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)c(C)c1 225311469 QVXBDVXJVMQBGX-INIZCTEOSA-N 297.398 3.809 0 40 CHAB C[S@](=O)c1ccc(CNc2ccc(Cl)c(F)c2)cc1 225712018 ZUYXPWZBZFRAGY-IBGZPJMESA-N 297.782 3.829 0 40 CHAB CCc1nc2cc(C(=O)Nc3ccccc3F)ccc2n1C 225896398 NXNQMMCIEQILNB-UHFFFAOYSA-N 297.333 3.527 0 40 CHAB O=C(c1ccccc1Cl)C(F)(F)C(F)(F)F 228758689 MKTXMKXDPLMTAH-UHFFFAOYSA-N 258.573 3.720 0 40 CHAB O=C(c1cc(F)c(F)cc1F)C(Cl)(Cl)Cl 379776021 WZMPYUKBKPTUCM-UHFFFAOYSA-N 277.456 3.657 0 40 CHAB CCCCn1cc(Br)c(CO[C@H](C)CC)n1 408715714 CTFGSXHFHYLEHJ-SNVBAGLBSA-N 289.217 3.761 0 40 CHAB C[C@H](CC1CC1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 521394097 JDUVRNMVYUITBU-PVUWLOKVSA-N 277.383 3.682 0 40 CHAB Fc1c(Nc2ccc(OC(F)F)cc2)ncnc1C1CC1 1888866421 AFFDIBLNAPICSG-UHFFFAOYSA-N 295.264 3.838 0 40 CHAB O=C(NCC1(c2ccsc2)CC1)c1cc2ccccc2o1 1888947718 HSLHTJBUENUQSD-UHFFFAOYSA-N 297.379 3.956 0 40 CHAB O=C(Nc1ccc(F)cc1)OC[C@H]1C[C@@H]2C=C[C@H]1C2 399808 WKBHLFZEPCTYLJ-GRYCIOLGSA-N 261.296 3.586 0 40 CHAB CC(C)[C@@H](CC(=O)N1CCCCC1)[C@H]1CCOC(C)(C)C1 489096 DIWJCFXHCCDHOB-JKSUJKDBSA-N 295.467 3.866 0 40 CHAB Cc1noc(C)c1C(=O)Nc1cccc(Cl)c1Cl 3105228 VHPHPJJIZBRUSL-UHFFFAOYSA-N 285.130 3.851 0 40 CHAB Cc1cc(C)n(CC(=O)Nc2c(C)cccc2C(C)C)n1 9156145 VSVMTOPGLQKZAE-UHFFFAOYSA-N 285.391 3.570 0 40 CHAB O=C(c1ccccc1-c1cncnc1)N1CCCCCCC1 78060206 AZMBQZGWTJLBSU-UHFFFAOYSA-N 295.386 3.550 0 40 CHAB CC(=O)Oc1ccc(C)c(CC(Cl)(Cl)Cl)c1 1626878 IYUIQDRIQANGPR-UHFFFAOYSA-N 281.566 3.833 0 40 CHAB O=c1[nH]c(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 34753630 WGZNQYHSWMOAOJ-UHFFFAOYSA-N 291.137 3.897 0 40 CHAB Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)c1ccccc1 3171833 YVWXOIWLFSTCST-UHFFFAOYSA-N 277.323 3.927 0 40 CHAB CN(C(=O)c1cc(-c2ccc(F)cc2)on1)c1ccccc1 3907624 ZCIBEKAXNDDKHI-UHFFFAOYSA-N 296.301 3.757 0 40 CHAB O=Cc1ccc(N2CCCCC2)c(C(F)(F)F)c1 4245512 VRESGPVCUVJCSX-UHFFFAOYSA-N 257.255 3.508 0 40 CHAB CCc1ccc(C(=O)N(Cc2ccco2)C2CC2)s1 44698576 SLTQXCPHTCJFGQ-UHFFFAOYSA-N 275.373 3.708 0 40 CHAB O=C(c1ccc(CN2CCCC2)cc1)c1ccccc1F 2514575 RVBRWQXILHFKBR-UHFFFAOYSA-N 283.346 3.653 0 40 CHAB Cc1c(C(=O)O)c2ccccc2n1Cc1ccccc1 24542090 FQHPBNUKSYOYHZ-UHFFFAOYSA-N 265.312 3.696 0 40 CHAB Cc1ccc(NCC(=O)Nc2ccc(F)cc2F)c(C)c1 29935300 ARGFFDMQUGRQHB-UHFFFAOYSA-N 290.313 3.632 0 40 CHAB c1ccc2c(-c3csc(NC[C@H]4CCCO4)n3)c[nH]c2c1 2628037 SSMNTCZIOXCFQJ-LLVKDONJSA-N 299.399 3.882 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cl)nc1 2663493 QGUYZIHVNXPDCY-AWEZNQCLSA-N 286.762 3.542 0 40 CHAB O=C(Nc1ccc(Cl)cn1)c1ccccc1OC(F)F 2793393 GWMFXBDKVAHVJH-UHFFFAOYSA-N 298.676 3.589 0 40 CHAB Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CO 12336656 SSJKNJYBSHISNC-UHFFFAOYSA-N 291.269 3.769 0 40 CHAB in-vitro Brc1ccc(Oc2ccccn2)cc1 12370379 FOKJQGKEVMZAJE-UHFFFAOYSA-N 250.095 3.636 0 40 CHAB Cc1ccsc1/C=C1/C(=O)N(C)c2ccccc21 3344213 FGXDOXWDBLYSSJ-FMIVXFBMSA-N 255.342 3.574 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(F)c(F)c1 13008452 PPBUZWDYDSHEET-SNVBAGLBSA-N 273.282 3.556 0 40 CHAB Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1 9157436 WVNFYZJWHGLXCF-UHFFFAOYSA-N 292.713 3.988 0 40 CHAB Cc1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn12 9190311 HUBVCUUMZOKWPX-UHFFFAOYSA-N 292.367 3.828 0 40 CHAB Cc1c(Cl)ccc2c(Cl)c(C(=O)O)cnc12 5010794 AZGIWYJURIUNEM-UHFFFAOYSA-N 256.088 3.548 0 40 CHAB Cc1nc(-c2ccsc2)sc1C(=O)NC(C)(C)C 65402564 BYJYUBOAAJIQEK-UHFFFAOYSA-N 280.418 3.708 0 40 CHAB COc1ccccc1Nc1cc(=O)oc2ccccc12 4413033 TWPQJQDKKPQFIL-UHFFFAOYSA-N 267.284 3.545 0 40 CHAB c1nc(N2CC[C@H]3CCCC[C@@H]3C2)c2sccc2n1 65609405 WGDCDQFDPIRWKE-VXGBXAGGSA-N 273.405 3.708 0 40 CHAB CCN(CC)C(=S)SCCOc1cccc(C)c1 9585223 BKFHYADXJIMQED-UHFFFAOYSA-N 283.462 3.734 0 40 CHAB CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccoc1 89802077 CREQGSKLGPBDPC-HNNXBMFYSA-N 269.344 3.897 0 40 CHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cncs1 22073176 CIBHFMFUDGYLDG-UHFFFAOYSA-N 273.144 3.702 0 40 CHAB CNC[C@H](OC(C)C)c1cc(Cl)ccc1Cl 62711679 DAXVUPUZULQQMA-LBPRGKRZSA-N 262.180 3.679 0 40 CHAB CCCc1ccc(NCc2nc3n(n2)CCCCC3)cc1 28527795 UNWVQUOFWRODLM-UHFFFAOYSA-N 284.407 3.569 0 40 CHAB CCCCc1cc2cc(N=[SH](=O)O)ccc2o1 504689847 GTIJWBJRWZJALJ-UHFFFAOYSA-N 253.323 3.545 0 40 CHAB COc1cccc(-c2cc(Cl)nc(SC)n2)c1 34572274 IRKBUAKIWSJZED-UHFFFAOYSA-N 266.753 3.528 0 40 CHAB O=C(c1cccc(F)c1F)C(Cl)(Cl)Cl 212721423 DXXPTNRXRLQJIP-UHFFFAOYSA-N 259.466 3.518 0 40 CHAB CCCCN1CCCC[C@H]1c1ccc(OCC)nc1 72211804 YDCHWPGNUJLEBB-HNNXBMFYSA-N 262.397 3.807 0 40 CHAB COC1CCC(C2=N[C@H]3CCCC[C@H]3SC2)CC1 31949058 GXBXXGBYRZEHJT-NSOJWWLLSA-N 267.438 3.691 0 40 CHAB Cc1cc(N)c(NC(=O)C(C)C)cc1N1CCCC[C@H]1C 216864631 HEWDHURRZMPFJD-CYBMUJFWSA-N 289.423 3.551 0 40 CHAB CC1=CC(C)(C)N(C(C)(C)C(=O)O)c2ccccc21 223203673 BBRYINWYGRDSSP-UHFFFAOYSA-N 259.349 3.552 0 40 CHAB Cc1ccc(C[C@@H](Oc2ccccc2)C(=O)O)cc1Cl 225079083 VPYHFYLZWNVOCA-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC)cc1 225621523 CJIFXMIFPNHVOM-INIZCTEOSA-N 279.380 3.619 0 40 CHAB O=C(Cc1ccc(Cl)cc1)NCCSC1CCCC1 46450226 DCOVMFXUVKFISN-UHFFFAOYSA-N 297.851 3.675 0 40 CHAB CCCCCNC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 44850319 AHLSQWGYCRGTGI-MRXNPFEDSA-N 277.408 3.767 0 40 CHAB C[C@@H](Oc1ccccc1)C(=O)NC(C)(C)Cc1ccccc1 222747250 PMIFVBBFQBARTK-OAHLLOKOSA-N 297.398 3.591 0 40 CHAB O=C(COc1ccc(F)cc1)N1[C@H]2CC[C@H]1c1ccccc12 265723426 NVNFVKOVFZZLFV-IRXDYDNUSA-N 297.329 3.623 0 40 CHAB CCCc1nccn1-c1ccc(Br)c(F)c1 95915965 CPFBTMWXNYZAPI-UHFFFAOYSA-N 283.144 3.726 0 40 CHAB CC(C)C[C@@H](C)OCCC(=O)Nc1ccccc1N(C)C 75110792 CWFZKCSYRXOHIT-CQSZACIVSA-N 292.423 3.532 0 40 CHAB N[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCCC1 20260080 LWMFIMXQOJYJRC-QZTJIDSGSA-N 266.388 3.524 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 5865140 LUYGCUZIMDRVFF-GFCCVEGCSA-N 273.307 3.540 0 40 CHAB Cc1ccnc(NC(=O)Nc2cn(C)c3ccccc23)c1 5265865 PSCHRKSOIHVRSO-UHFFFAOYSA-N 280.331 3.526 0 40 CHAB O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCCC1 5612583 WGZHQAYTTOYAMI-UHFFFAOYSA-N 261.409 3.509 0 40 CHAB COc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1OC 5814869 DGZNCMIRWLAGMP-UHFFFAOYSA-N 285.343 3.573 0 40 CHAB CCC[C@H](C(=O)Nc1ccncc1)c1ccccc1 12543425 XGKMNZIAKYRIAL-HNNXBMFYSA-N 254.333 3.604 0 40 CHAB Cc1cc(C)cc(OCC(=O)N2c3ccccc3C[C@H]2C)c1 13676333 XFYOOQLEVGBGCN-OAHLLOKOSA-N 295.382 3.660 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14397974 MNTDDSHYMSKZFV-QWHCGFSZSA-N 277.408 3.666 0 40 CHAB C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 32477429 BXUKTBPORAMBPM-LBPRGKRZSA-N 264.328 3.659 0 40 CHAB c1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1 1654204 FGDGJJNJEUYMFK-UHFFFAOYSA-N 262.316 3.964 0 40 CHAB CCCCC(=O)c1c(F)c(F)c(F)c(F)c1F 34189765 UGBGBSRULIXSTD-UHFFFAOYSA-N 252.182 3.755 0 40 CHAB CCOC(=O)c1c(Cl)cccc1C(F)(F)F 47202735 JICZPVIUDBATRW-UHFFFAOYSA-N 252.619 3.536 0 40 CHAB COC(=O)CCC(=O)c1ccc(-c2ccccc2)c(F)c1 575357298 FJJZYMMPSXIEHA-UHFFFAOYSA-N 286.302 3.629 0 40 CHAB C[C@@H](NC(=O)Nc1cccnc1)c1ccc(Cl)s1 40086412 CJSJKFNTLAWDLA-MRVPVSSYSA-N 281.768 3.679 0 40 CHAB CSc1nnc(SC[C@@H]2CC2(Cl)Cl)s1 40161884 MIQUKHXNPCUAHH-BYPYZUCNSA-N 287.262 3.546 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)o1 40103355 DGFRDDXIEANSMT-LBPRGKRZSA-N 284.359 3.959 0 40 CHAB Brc1cn(Cc2ccccc2)c2ncccc12 40442629 XGECCZZIAJKFBI-UHFFFAOYSA-N 287.160 3.847 0 40 CHAB O=C(CCc1ccc(F)c(F)c1)Nc1ccc(Cl)cn1 31885748 KWSVFBZNKOSNJT-UHFFFAOYSA-N 296.704 3.585 0 40 CHAB Cc1ccc([C@H]2CCCN2C(=O)Nc2cccnc2)cc1 32754977 FJLMAHUIXMMANO-MRXNPFEDSA-N 281.359 3.759 0 40 CHAB CCCc1cc(C(=O)Nc2cc(C)on2)sc1C 32736074 CLGXCRSNNDWUQL-UHFFFAOYSA-N 264.350 3.558 0 40 CHAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(Cl)c[nH]1 32768165 LNZDBXJORDUKQL-UHFFFAOYSA-N 295.726 3.669 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCc1ccc(Cl)cc1 102362262 FUSXZSSVLQIVHQ-KKUMJFAQSA-N 291.822 3.825 0 40 CHAB Cc1noc(C)c1CN(C)Cc1cccc(C(F)(F)F)c1 42132728 RFQYUQNFSUMDNX-UHFFFAOYSA-N 298.308 3.942 0 40 CHAB O=C(CN1CCCCC1)n1c2ccccc2c2ccccc21 54097167 WKUAHDAAJATNGQ-UHFFFAOYSA-N 292.382 3.921 0 40 CHAB CC(C)CSc1nc(N)c2c3c(sc2n1)CCC3 85509 YLGSCQYPUYNGHR-UHFFFAOYSA-N 279.434 3.510 0 40 CHAB COc1cc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1O 121022 SOHWVJPJRLXISV-JHEDILSUSA-N 288.387 3.937 0 40 CHAB Clc1cccc(OCC[C@@H]2CCCNC2)c1Cl 42772232 AHCDZTSNGBIESR-JTQLQIEISA-N 274.191 3.762 0 40 CHAB Cc1cccc(C(=O)NCc2ccccc2Cl)c1 579320 RPJWORPIVVQVOL-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB Cc1ccc(C(=O)c2cc(F)cc(F)c2)cc1F 43210174 HEDJQMSGOJXEIC-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Cc1ccc(NC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 12506533 PAFLOWUSZZAYRC-LBPRGKRZSA-N 294.358 3.754 0 40 CHAB CCCCNCc1cc(Cl)c(OC)c(OCC)c1 7261631 RXKKQTDWUVWQLK-UHFFFAOYSA-N 271.788 3.637 0 40 CHAB CCOC(=O)c1c(C)n[nH]c1Nc1ccc(C(C)C)cc1 8783457 OLIZRJKADGXEPN-UHFFFAOYSA-N 287.363 3.762 0 40 CHAB CN(Cc1cnc2ccsc2c1)c1ccccc1 95456987 NSDPYJOUHBXLEK-UHFFFAOYSA-N 254.358 3.933 0 40 CHAB CC[C@@H]1CC[C@@H](C)N1c1ccnc(-c2ccccc2)n1 95458747 YSHPGSMYWOZQSF-UKRRQHHQSA-N 267.376 3.911 0 40 CHAB CN(C)C(C)(C)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104177031 DTIKEEZPIDWSHF-ZENOOKHLSA-N 253.430 3.558 0 40 CHAB CC(C)C(=O)Nc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 11717900 KJIMSWANXSPDMB-ZDUSSCGKSA-N 286.375 3.576 0 40 CHAB c1ccc(N2CC[C@@H](CNc3nc4ccccc4o3)C2)cc1 29624691 NESVBHYWIGJDLW-AWEZNQCLSA-N 293.370 3.766 0 40 CHAB Cc1ccc(C(=O)c2ccc(CN3CCC3)cc2)c(C)c1 2514621 NPYKQYXLLGYEQZ-UHFFFAOYSA-N 279.383 3.740 0 40 CHAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 2754666 PAPOJCREHNGARJ-UHFFFAOYSA-N 283.327 3.791 0 40 CHAB Clc1cccc(CSc2nnc3ccccn23)c1 3259109 VASHRSKNRCFKGD-UHFFFAOYSA-N 275.764 3.675 0 40 CHAB CC(=O)Nc1ccc(NC(=O)C2CCCCC2)cc1Cl 12736106 RUYNODKHVSMGQM-UHFFFAOYSA-N 294.782 3.817 0 40 CHAB C[C@@H]1C[C@@H](N(C)C2CCC2)CCN1Cc1ccccc1 95441673 AGYDJTMPFLQYCT-QAPCUYQASA-N 272.436 3.524 0 40 CHAB O=C(Nc1nncs1)c1ccc(C2CCCCC2)cc1 12914963 XTAYDZMGFRNZRU-UHFFFAOYSA-N 287.388 3.838 0 40 CHAB O=C(Nc1cccc(Cl)c1Cl)NC1CCC1 13331743 ZHDKJBSLQUVDBO-UHFFFAOYSA-N 259.136 3.667 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(F)c1 20104873 CXJPTYXLDDSKDD-LBPRGKRZSA-N 287.334 3.794 0 40 CHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)c1ccccc1 20492671 XHZGVJNARBMUKY-QGZVFWFLSA-N 283.371 3.815 0 40 CHAB CCOc1ccc(/C=C(\C(=O)O)c2cccs2)cc1 4218721 PZCSQTLUNYNINW-RAXLEYEMSA-N 274.341 3.772 0 40 CHAB O=C(CCc1nc2ccccc2s1)Nc1ccccc1O 9376441 HOIJDZANDKOXPR-UHFFFAOYSA-N 298.367 3.573 0 40 CHAB O=C(Nc1noc2ccccc12)c1ccc(Cl)cc1 6668381 BFPHLVOGCNILOU-UHFFFAOYSA-N 272.691 3.734 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(F)c(F)c1F 6788433 NFDYMWIQVLLWHZ-FPYGCLRLSA-N 295.235 3.895 0 40 CHAB COc1ccccc1[C@H]1SCC(=O)N1C1CCCCC1 19927442 XNIQOQWNNLWXHT-MRXNPFEDSA-N 291.416 3.602 0 40 CHAB CCCC[C@H](CCC(=O)Nc1cccc(C)c1)C(=O)O 26807846 KEPFQTJOXBRYCE-CYBMUJFWSA-N 277.364 3.605 0 40 CHAB C[S@](=O)c1ccc(CNc2ccccc2Cl)cc1 83990341 QCKDGSNVACBCRU-GOSISDBHSA-N 279.792 3.690 0 40 CHAB CC(C)N(CC(F)(F)F)C(=O)c1cc2c(s1)CCC2 95953226 XNTLWKTYYZANCX-UHFFFAOYSA-N 291.338 3.650 0 40 CHAB COc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)c1 32889862 XLUJCNVKVZMYRB-YOEHRIQHSA-N 285.387 3.715 0 40 CHAB COC(=O)c1ccc2cc(-c3ccccc3)[nH]c2c1 35924079 CCNMLNYALLFEMX-UHFFFAOYSA-N 251.285 3.622 0 40 CHAB CCN(CC)c1ccc(C(=O)c2ccc(OC)cc2)cc1 34574341 FQKWAYNTRKLICQ-UHFFFAOYSA-N 283.371 3.772 0 40 CHAB CCc1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)cc1 216950199 CCGCFRWZKXMFQP-UHFFFAOYSA-N 293.322 3.590 0 40 CHAB CCc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 224609533 IAWOKRNEXJTBOZ-CYBMUJFWSA-N 285.362 3.808 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)Cc2ccccc2F)c(C)c1 139051466 TYWBMVLTUCKSJB-CQSZACIVSA-N 285.362 3.862 0 40 CHAB Nc1nc2c(N)cc(C34CC5CC(CC(C5)C3)C4)cc2s1 226302890 CEJZETZRQWFOFJ-UHFFFAOYSA-N 299.443 3.929 0 40 CHAB COc1cc(SC)ccc1NCc1ccc(CO)cc1 193496044 AJYKHBWEYGGQFU-UHFFFAOYSA-N 289.400 3.522 0 40 CHAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCCCC1 40467708 MGAWHHFGQFGHPK-LLVKDONJSA-N 263.406 3.774 0 40 CHAB Cc1ccc(OCCNC(=O)c2cccs2)cc1Cl 224121178 MOKSAPNGCJMEJC-UHFFFAOYSA-N 295.791 3.519 0 40 CHAB CCOc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 225721536 RQOWNCYTPFIZFZ-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB Cc1cccc(Cl)c1NC(=O)N(C)Cc1cscn1 97095197 XCSTWFYEONCJCT-UHFFFAOYSA-N 295.795 3.769 0 40 CHAB Fc1c(Br)ccc(OC(F)(F)F)c1F 95215656 STZVSTCFPFXRII-UHFFFAOYSA-N 276.986 3.626 0 40 CHAB Cc1cccc(C(=O)Nc2cccc3c2CCCC3)n1 26929272 LSVKODFTQLVWMJ-UHFFFAOYSA-N 266.344 3.521 0 40 CHAB CC[C@@H](Cl)C(=O)c1cccc(C(F)(F)F)c1 382737958 YBHBPSPNIZFYIH-SECBINFHSA-N 250.647 3.906 0 40 CHAB COC(OC)c1cccc(C(F)(F)C(F)(F)F)c1 604221817 POOTUNYHYQJEJC-UHFFFAOYSA-N 270.197 3.632 0 40 CHAB Cc1cccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c1 13672907 ZFHGHAUFZJTBSE-JXMROGBWSA-N 285.774 3.978 0 40 CHAB Cc1ccc(CN2c3ccccc3NC(=O)C[C@@H]2C)cc1 16904037 ALBUOCWMXCTRFR-AWEZNQCLSA-N 280.371 3.732 0 40 CHAB Cc1cc(N)c(NC(=O)C2CCCCC2)cc1Cl 226347481 RCPGJFWFKPXJGH-UHFFFAOYSA-N 266.772 3.749 0 40 CHAB O=C(Nc1onc2c1CCCC2)c1cccc2ccccc12 8976604 MVMLLKPDXRACOX-UHFFFAOYSA-N 292.338 3.959 0 40 CHAB CCSc1ccccc1C(=O)NCc1ccsc1 38586264 BZQSABVBTRLNAM-UHFFFAOYSA-N 277.414 3.790 0 40 CHAB CC(C)(C)OC(=O)NCCCCCCCCCCO 6186792 ZEWLESIFIREKBL-UHFFFAOYSA-N 273.417 3.624 0 40 CHAB in-vitro CC(C)c1nc(CC(=O)Nc2ccc(F)cc2F)cs1 31673889 HDISHDPCPOTABC-UHFFFAOYSA-N 296.342 3.726 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccoc1C 21638113 OHPFQRJLKTZQHJ-ZDUSSCGKSA-N 275.373 3.799 0 40 CHAB CCC[C@H](C)NC(=O)Cc1cccc(C(F)(F)F)c1 32962428 GLQDULNXQMHYCV-JTQLQIEISA-N 273.298 3.553 0 40 CHAB O=C(Nc1ccccc1)[C@H]1C[C@H]1Cc1ccccc1 478217 FBUQLYZARVFVHQ-ZBFHGGJFSA-N 251.329 3.504 0 40 CHAB COc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccco1 550467 UZDNCETXSLHMON-UHFFFAOYSA-N 283.327 3.802 0 40 CHAB O=C(C[C@H](c1ccccc1)c1ccccc1O)N1CCCC1 521134 GZWJQVNDMKRYTK-QGZVFWFLSA-N 295.382 3.537 0 40 CHAB C[C@@H](N[C@@H]1c2ccccc2CCC1(C)C)c1nccn1C 97038232 NGZNXLOSGINMSB-CZUORRHYSA-N 283.419 3.784 0 40 CHAB COc1ccc(-c2csc3c2-n2cccc2C3=O)cc1 1645971 STBQKICVQXGVLM-UHFFFAOYSA-N 281.336 3.759 0 40 CHAB in-vitro CCOC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 2048545 UMMIONCOPKEPGY-OAHLLOKOSA-N 283.327 3.936 0 40 CHAB C[C@@]12CC[C@@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O 3872469 WKRLQDKEXYKHJB-QILLFSRXSA-N 268.356 3.738 0 40 CHAB in-man C[C@]12CC[C@@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O 4081942 VMYTXBKVYDESSJ-GZXFCSGKSA-N 288.431 3.879 0 40 CHAB biogenic CC(=O)Nc1ccc(Sc2ccc(F)cc2)cc1 1400393 PKNAJKZSXQPQRT-UHFFFAOYSA-N 261.321 3.935 0 40 CHAB O=C(CCc1ccccc1)NCCc1cccc(Cl)c1 6252101 GUMIWCAEQMPYGR-UHFFFAOYSA-N 287.790 3.632 0 40 CHAB Cc1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c1 7409042 SXLAJWJQQQQNKV-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB COc1cccc(C(=O)NCCC2CCCCCC2)c1 10542452 MFYXGXJAKKTYOQ-UHFFFAOYSA-N 275.392 3.786 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)CCc1cccs1 58406410 XIRZFCYKGRFJGM-NSHDSACASA-N 291.441 3.888 0 40 CHAB CCCCC[C@H](C)NC(=O)[C@H](CC)Oc1ccccc1 2494967 YOLLAQNVBDXOGS-HOCLYGCPSA-N 277.408 3.929 0 40 CHAB Nc1cc(-c2ccc(Br)cc2)cs1 104076062 NADPNMYYAZOEMP-UHFFFAOYSA-N 254.152 3.760 0 40 CHAB CCC[C@@H](N[C@@H](C)Cc1cccs1)C(=O)OC(C)(C)C 95943448 AEHZIUTZCQPDLH-GXTWGEPZSA-N 297.464 3.779 0 40 CHAB C[C@H](Sc1ccncc1)C(=O)N1c2ccccc2C[C@H]1C 84718110 GPSJSEBELIHNBL-OLZOCXBDSA-N 298.411 3.540 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 3607871 WXKSNXKBRGGTDC-JTQLQIEISA-N 293.725 3.885 0 40 CHAB CC(C)Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 13166119 IHXLHTSPZHKWRV-UHFFFAOYSA-N 297.354 3.836 0 40 CHAB CC(C)OC(=O)c1ccccc1NC(=O)c1ccsc1 49016998 RHNJABMALIWFJT-UHFFFAOYSA-N 289.356 3.566 0 40 CHAB Cc1cc(Nc2ccc(O)cc2)c2cc(C(=O)O)ccc2n1 4226495 DRHHHFOKLWRFPF-UHFFFAOYSA-N 294.310 3.691 0 40 CHAB CCCN(C(=O)c1cc(C)c(CC)o1)c1cccnc1 95415349 ALDHZAHLTGMQSR-UHFFFAOYSA-N 272.348 3.602 0 40 CHAB C[C@H]1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1 6268187 QJVSEAIJLDGOOL-VIFPVBQESA-N 290.363 3.659 0 40 CHAB C[C@H](NC(=O)c1ccccc1)c1cc2ccccc2o1 14245499 BYDVMTHWYYBYCE-LBPRGKRZSA-N 265.312 3.924 0 40 CHAB O=C(CCc1ccc(F)cc1)N1CCCc2ccccc21 60866157 DVTLYLUICDFOLP-UHFFFAOYSA-N 283.346 3.738 0 40 CHAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1 7597411 HRYXXSNAWBATCV-JTQLQIEISA-N 294.276 3.591 0 40 CHAB Cc1ccc([C@H](CN[C@H](C)CC(C)C)N2CCCC2)o1 97016738 YYWWDHGYCMJTQP-ZBFHGGJFSA-N 278.440 3.749 0 40 CHAB O=C(CSCc1ccc(Cl)c(Cl)c1)NC1CC1 20481560 IMXWHDJVSVGJLL-UHFFFAOYSA-N 290.215 3.505 0 40 CHAB FC1[C@](F)(Cl)[C@](F)(Cl)[C@@](F)(Cl)[C@]1(F)Cl 64220161 FQFOJXUQZIYKKN-KVJVDKLYSA-N 297.865 3.957 0 40 CHAB Cc1cc(NC(=S)NC2CCCCC2)ccc1F 60512833 NKDUWVGPEAPIHY-UHFFFAOYSA-N 266.385 3.753 0 40 CHAB Clc1cccc(-c2cccc([C@H]3CCCNC3)n2)c1 72343728 FUCOJBFSHWXOIF-ZDUSSCGKSA-N 272.779 3.869 0 40 CHAB CN1CC=C(c2nc3c(Cl)cccc3s2)CC1 73638858 JUAUDJXUYBEPFP-UHFFFAOYSA-N 264.781 3.669 0 40 CHAB CC[C@H](N)c1ccc(N2CCCc3ccccc32)nc1 72225793 MUVHYIHFVZNVMO-HNNXBMFYSA-N 267.376 3.576 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 72208699 RQSNYTYIUVNWHZ-CABCVRRESA-N 291.391 3.510 0 40 CHAB CCC(C)(C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225073883 YKCZUXYKOGQOAL-ZDUSSCGKSA-N 289.419 3.638 0 40 CHAB CCOc1ccc(Nc2nc3ccccc3o2)cc1 48543871 KDEXWPMJJXBHKK-UHFFFAOYSA-N 254.289 3.970 0 40 CHAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1 223743720 RRUVBQWSKBXGNP-UHFFFAOYSA-N 297.398 3.927 0 40 CHAB COc1ccc(C(=O)CCc2sccc2C)cc1OC 199728962 KGMCMQCGMFVWDS-UHFFFAOYSA-N 290.384 3.889 0 40 CHAB Cc1cc(C)c(C[C@@H](Oc2ccccc2C)C(=O)O)c(C)c1 225135613 CPUXYBWGPZIJPC-GOSISDBHSA-N 298.382 3.995 0 40 CHAB CCCNCc1cccn1-c1cc(Cl)ccc1C 223686777 POUDGAJYYUVKDY-UHFFFAOYSA-N 262.784 3.939 0 40 CHAB Cc1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 96467587 BPRIJTMWHIOGHQ-UHFFFAOYSA-N 297.354 3.610 0 40 CHAB Cc1ccc(-c2csc(N3CCCCC3)n2)cc1N 95097231 ZYRUVQBIIKTAMK-UHFFFAOYSA-N 273.405 3.691 0 40 CHAB CC(C)CCOc1cc(C(=O)C(F)(F)F)ccc1F 95732788 FRLVYPYGTUVMQN-UHFFFAOYSA-N 278.245 3.996 0 40 CHAB FC(F)Oc1cccc(Br)c1Cl 95215415 PNJZWDHNKFDMIM-UHFFFAOYSA-N 257.461 3.704 0 40 CHAB CCCCn1c2ccc(CC)cc2c2nnc(S)nc21 96319317 PIBZUMHBKVCCCP-UHFFFAOYSA-N 286.404 3.631 0 40 CHAB c1ccc(Nc2cc(CC[C@H]3CCCNC3)ccn2)cc1 257237507 HGVARBIECUUMPY-MRXNPFEDSA-N 281.403 3.757 0 40 CHAB Fc1cc(-n2cnc3ccccc32)ccc1Br 95915953 QGNAHIOGNHDIGF-UHFFFAOYSA-N 291.123 3.927 0 40 CHAB COc1cc(OC)cc(C(=O)c2ccc(C)c(Cl)c2)c1 95916398 FTWBSLZKUGFSHY-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB O=C(O)C(F)(F)c1cc2cc(C(F)(F)F)ccc2o1 575444602 LOWOXONVGFTBFF-UHFFFAOYSA-N 280.148 3.628 0 40 CHAB O=C(O)c1cc(-c2ccccc2)c2ccc(O)cc2c1 39043910 WBYXNUMKRHPAGH-UHFFFAOYSA-N 264.280 3.911 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1 94184 YKSHEDQLBNEZKL-KPKJPENVSA-N 267.328 3.656 0 40 CHAB biogenic C[C@H]1CC(=O)CC[C@@]2(C)[C@@H](OC(C)(C)C)CC[C@H]12 5706440 VONPHBXPKMRMFD-ZGMNHVEMSA-N 252.398 3.976 0 40 CHAB CC(C)C[C@@H](NCc1ccc(Cl)c(Cl)c1)C(=O)O 19787812 PETUABRAIJESBS-GFCCVEGCSA-N 290.190 3.582 0 40 CHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C)c1 11636838 OAIKWFSIEZBKJH-QGZVFWFLSA-N 299.370 3.800 0 40 CHAB N[C@H](c1ccccc1)c1ccc(Br)cc1F 19425979 YYVCIDGLFCZXAV-CYBMUJFWSA-N 280.140 3.636 0 40 CHAB in-vitro CCn1c(C)c(C=O)c2cc(OCC(C)C)ccc21 217772491 SRFUKVNXWIVOKA-UHFFFAOYSA-N 259.349 3.817 0 40 CHAB COc1ccc2ccccc2c1CNC(=O)c1ccccc1 31187689 UPCWJMJWOQQXBQ-UHFFFAOYSA-N 291.350 3.778 0 40 CHAB CC(C)c1nnc2ccc(NCCC3=CCCCC3)nn12 20727950 FITSAEBYOFRKIC-UHFFFAOYSA-N 285.395 3.550 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 20892190 HVUYPIQTMHTCNG-CYBMUJFWSA-N 256.349 3.573 0 40 CHAB CCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C 480004 DLVNZWGMQHOLOW-UHFFFAOYSA-N 275.735 3.887 0 40 CHAB CN[C@@H](C)CN1c2ccccc2Sc2ccccc21 83387 IJOZCCILCJIHOA-LBPRGKRZSA-N 270.401 3.897 0 40 CHAB in-vitro COc1ccccc1/C=C/C(=O)Nc1ccc(C(C)=O)cc1 149696 BSTCSMMFJIZHJF-FMIVXFBMSA-N 295.338 3.550 0 40 CHAB Cc1ccc(-c2nnnn2-c2cc(Cl)ccc2C)cc1 411267 GGAJEVGVXIWOGT-UHFFFAOYSA-N 284.750 3.600 0 40 CHAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)OC 412705 LSLDGDFOIFBLIQ-UHFFFAOYSA-N 289.400 3.679 0 40 CHAB CC(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 558010 WZTQTPMJDREASF-UHFFFAOYSA-N 267.328 3.758 0 40 CHAB O[C@@H](c1cccc2cc(Cl)ccc12)[C@@H]1CCCCN1 1655469 UUUVXBQKOPGAGB-HOTGVXAUSA-N 275.779 3.669 0 40 CHAB Clc1nc(Cl)nc(-c2cccn2-c2ccccc2)n1 1726800 XXAHRNBZYOZXOM-UHFFFAOYSA-N 291.141 3.636 0 40 CHAB FC1(F)C(Cl)=C(OCc2ccccc2)C1(F)F 2540199 NHJIMEUEIDQKSK-UHFFFAOYSA-N 266.621 3.938 0 40 CHAB CCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)c(O)c1 3242885 FPHKGTQSYLPPQJ-XNTDXEJSSA-N 295.338 3.674 0 40 CHAB O=C(Nc1ccccc1F)c1cccc(OC(F)F)c1 3608827 ZJIZUNIZCXOZMS-UHFFFAOYSA-N 281.233 3.679 0 40 CHAB NCCCc1c[nH]c2ccc(OCc3ccccc3)cc12 3698473 LKQLXNRRTBUULJ-UHFFFAOYSA-N 280.371 3.638 0 40 CHAB c1cncc(Nc2ncnc3sc4c(c23)CCCC4)c1 6045301 ILEORXPHQWXPCF-UHFFFAOYSA-N 282.372 3.709 0 40 CHAB CC(C)N(C(=O)c1nc2ccccc2s1)C(C)C 6159763 QEVYYMICLCLKHB-UHFFFAOYSA-N 262.378 3.555 0 40 CHAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)C1CCCC1 6220219 BPRUQCRUOWSFKW-UHFFFAOYSA-N 294.203 3.678 0 40 CHAB CC1CCC(NC(=O)c2ccccc2Cl)CC1 6263616 FTQSODZXNKVPEN-UHFFFAOYSA-N 251.757 3.649 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(Cl)cc1 6343190 XVZJWBUZSBJDSA-ANYFNZRUSA-N 275.735 3.824 0 40 CHAB CCC(=O)O[C@H]1C[C@H](C)N(C(=O)CC)c2ccc(C)cc21 6461878 LCMYMLGTHSOTRB-WFASDCNBSA-N 289.375 3.525 0 40 CHAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2OC)cc1 6554354 QUJRPAFHRSOEJS-ZDUSSCGKSA-N 299.370 3.585 0 40 CHAB CCOc1ccccc1NC(=O)Cn1ccc2ccccc21 6711081 AESFDSHFGUGQSQ-UHFFFAOYSA-N 294.354 3.679 0 40 CHAB CC(C)(C)c1ccc(Cn2c(=O)cnc3ccccc32)cc1 7985362 UKBAWZGPIHFUES-UHFFFAOYSA-N 292.382 3.742 0 40 CHAB O=C(OCc1ccc(F)cc1Cl)c1cccc(O)c1 10529571 GKSPRRKIWAJNGW-UHFFFAOYSA-N 280.682 3.542 0 40 CHAB Cc1occc1-c1nc(NC(C)C)ncc1-c1ccncc1 12222849 KJTMIBUCYPBTCL-UHFFFAOYSA-N 294.358 3.927 0 40 CHAB CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12913525 SNTHXXSVFLHPGX-UHFFFAOYSA-N 296.301 3.507 0 40 CHAB Cc1cc(F)ccc1NC(=O)Nc1ccc(F)cc1 12939790 NJXIIKAKVDROAB-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB O=C(C[C@@H]1C=CCC1)N[C@@H]1CCCc2ccccc21 14019830 WDBFJGZMTUGNOJ-CZUORRHYSA-N 255.361 3.537 0 40 CHAB CCCCSc1nc(/C=C/c2ccccc2)n[nH]1 14247158 DIBAFYZMGFEEDX-MDZDMXLPSA-N 259.378 3.867 0 40 CHAB Nc1cc(Br)ccc1Oc1ccccc1F 14630955 KEYYDQXUUQVXAW-UHFFFAOYSA-N 282.112 3.963 0 40 CHAB CC(C)Oc1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 15022195 JIOOEKLHDCSSEV-UHFFFAOYSA-N 296.326 3.715 0 40 CHAB C[C@@H](NC(=O)Cc1cccs1)c1cccc(Cl)c1 16018180 ZFZYRLNFVCZENQ-SNVBAGLBSA-N 279.792 3.821 0 40 CHAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCC1 16445181 KQAZTNHQUIYOSH-OAHLLOKOSA-N 294.398 3.776 0 40 CHAB C[C@@H](Cc1cccs1)NC(=O)[C@@H](C)Cc1cccs1 19457185 GIJPQIYAWLFOTE-RYUDHWBXSA-N 293.457 3.736 0 40 CHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC(C)C 20034651 CGANOADORGBXMK-AWEZNQCLSA-N 283.799 3.660 0 40 CHAB c1cnc2c([C@@H]3NCCc4c3[nH]c3ccccc43)cccc2c1 20111401 MFLKAHOBCOBBJX-IBGZPJMESA-N 299.377 3.951 0 40 CHAB biogenic C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc(Cl)cc1F 21887367 ADGYLGHJSBWVRB-MFKMUULPSA-N 298.789 3.586 0 40 CHAB Cc1oc(-c2nc3ccccc3n2C)cc1Br 22108151 MODJAOWVHGCIBD-UHFFFAOYSA-N 291.148 3.904 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](C)C1 22510295 NUPCVCUTSLXBFG-TZMCWYRMSA-N 295.810 3.756 0 40 CHAB Cc1cccc(-n2ncc(C(=O)Nc3ccccc3)c2C)c1 24864435 VDRFBSXIFJADSS-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB COc1ccc([C@@H](O)c2cccc3ccccc23)cc1 34417916 QFHQSHKATWPEMV-GOSISDBHSA-N 264.324 3.930 0 40 CHAB C[C@@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ccccc1 36139532 OMVSVZBHSNGVEM-OAHLLOKOSA-N 294.398 3.778 0 40 CHAB O=C(O)c1cnc(-c2cccc(C(F)(F)F)c2)s1 36930136 AWXSOXYXGVOOSL-UHFFFAOYSA-N 273.235 3.527 0 40 CHAB CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 40091951 MYUUCOGFAKWXGX-OLZOCXBDSA-N 289.375 3.671 0 40 CHAB Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(C)o2)o1 42811572 XPDNYQQASTXQNK-TXEJJXNPSA-N 276.336 3.611 0 40 CHAB CC(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)s1 57536052 XBHJEJALQSXQMV-JTQLQIEISA-N 285.368 3.542 0 40 CHAB O=C(Nc1ccc(Cl)cn1)[C@H]1C[C@H]1c1ccc(F)cc1 67184022 OKFNABZRBMKEPQ-STQMWFEESA-N 290.725 3.616 0 40 CHAB O=C(c1ccc2c(c1)CCCC2)N1CCCCCC1 70244471 ONBZPMSUPRKMHP-UHFFFAOYSA-N 257.377 3.582 0 40 CHAB CCCCc1nn(-c2ccccc2F)c(Cl)c1C=O 71976526 WJUCZNPATGKCSQ-UHFFFAOYSA-N 280.730 3.820 0 40 CHAB CCOC(=O)C[C@H](c1ccc(Cl)cc1)N(CC)CC 72210299 GYGRFRBHVJAAIV-CQSZACIVSA-N 283.799 3.676 0 40 CHAB O=C(O)[C@@H](Cc1ccccc1F)Oc1ccc(Cl)cc1 73312839 HVZUYEQXUQHOKT-CQSZACIVSA-N 294.709 3.554 0 40 CHAB O=Cc1cn(CC(=O)c2ccc(Cl)cc2)c2ccccc12 73690689 CRHBPLCCGNAPBM-UHFFFAOYSA-N 297.741 3.990 0 40 CHAB C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccccc1 78556031 NSJIIMDUBQPLSR-SGTLLEGYSA-N 262.349 3.836 0 40 CHAB COCc1ccc(C(=O)N2CCC3(CCCCC3)CC2)o1 95397022 MZSSEGZLZBXXCR-UHFFFAOYSA-N 291.391 3.613 0 40 CHAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@H]1c1cccs1 102250774 KBUSFRPGMACBKK-FQUUOJAGSA-N 273.401 3.624 0 40 CHAB CC[C@H](C)NC(=O)CSCc1c(F)cccc1Cl 113932649 IILVYFGHQXTZBM-VIFPVBQESA-N 289.803 3.627 0 40 CHAB Cc1nc(NC(=O)C2CCC(F)(F)CC2)sc1C 178978562 CZNJHTFBEGDHNU-UHFFFAOYSA-N 274.336 3.524 0 40 CHAB Cc1ccc(C[C@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1 225020202 SZOOGWQWPDKLKY-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C)c1 225623808 FDIHFNMUQPLPJW-KRWDZBQOSA-N 293.407 3.928 0 40 CHAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(Cl)c1 225732913 VZGASGDDTOSOMR-JTQLQIEISA-N 269.772 3.657 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2ccc(C)cc2)cc1N 226265517 QHQAFPQDENLLLK-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB Oc1nc([C@H]2CCC(F)(F)C2)nc2ccc(Cl)cc12 253535120 NMHWOPQQRWBCQI-ZETCQYMHSA-N 284.693 3.892 0 40 CHAB O=C(CCC(F)(F)F)N1CCc2sc(Cl)cc2C1 335440387 IRJIYDLTEGRSCS-UHFFFAOYSA-N 297.729 3.629 0 40 CHAB Cc1csc(C(=O)N2CC[C@@H](c3ccsc3)C2)c1 670771035 IQFXCIRWKGRSCC-LLVKDONJSA-N 277.414 3.748 0 40 CHAB CO[C@H](CNc1nc2ccccc2o1)c1ccsc1 1775972800 WMXKOLARIUMXGQ-CYBMUJFWSA-N 274.345 3.689 0 40 CHAB FC(F)Oc1ccc(C(F)F)cc1OC(F)F 1857793696 MKZHIZVKDCMOFU-UHFFFAOYSA-N 260.133 3.827 0 40 CHAB COC(=O)c1cc(-c2c(Cl)ccc(F)c2Cl)on1 1857794103 MZIFKFNQUSYZMM-UHFFFAOYSA-N 290.077 3.574 0 40 CHAB CC(=O)N1N=C(c2ccc3ccccc3c2)OC12CCCC2 209018 APYHFBAFQUJBOJ-UHFFFAOYSA-N 294.354 3.650 0 40 CHAB Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)c(C)c1 362319 HKBUFIBBVHKJGE-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB S=C(c1ccccc1)N1CCCc2ccccc21 383273 ZAIUUIORXFJXRF-UHFFFAOYSA-N 253.370 3.815 0 40 CHAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccnc2)cc1 505817 INXFBXLWTOTYOO-ZDUSSCGKSA-N 284.359 3.613 0 40 CHAB CCN(CC)C[C@@H](O)C1CCC(c2ccccc2)CC1 1593756 KCPQCTKXSFRSEY-DAWZGUTISA-N 275.436 3.663 0 40 CHAB Cc1ccc(C(=O)c2cccc(C)c2C(=O)O)c(C)c1 1600769 IBOIOJRDJBQGAP-UHFFFAOYSA-N 268.312 3.541 0 40 CHAB COc1ccc2c(c1OC)[C@H]1CCCC[C@@H]1SCC2=O 1653751 HIGXJWNBEAVHPT-FZMZJTMJSA-N 292.400 3.660 0 40 CHAB CC(=O)Nc1cc2c(cc1Cl)-c1ccccc1C2 1696167 NUUPKHHZJOCCDJ-UHFFFAOYSA-N 257.720 3.870 0 40 CHAB Cc1c2c(c(C)c3c4c(oc13)CCCC4)C=NCC2 1704351 YWWVOUMWNWHVST-UHFFFAOYSA-N 253.345 3.903 0 40 CHAB CCCCC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1 2494963 YOLLAQNVBDXOGS-GDBMZVCRSA-N 277.408 3.929 0 40 CHAB CCCCc1nn(-c2ccccc2F)c2c1C(=O)CCC2 2504024 OHMJNNWYRNZPPL-UHFFFAOYSA-N 286.350 3.873 0 40 CHAB O=C(NCc1ccccc1F)c1cccc(C(F)(F)F)c1 2651531 UREBUQCKYFHQKR-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB O=C(NCCc1ccccc1)c1cc2c(s1)CCCC2 3359146 LTNDGIHRJLEZSN-UHFFFAOYSA-N 285.412 3.599 0 40 CHAB Cc1ccc2c(CC(=O)Nc3ncc(C)s3)coc2c1 3528580 PZGUWRXTVWZKNQ-UHFFFAOYSA-N 286.356 3.687 0 40 CHAB O=C(NCc1ccc(F)cc1)c1ccccc1C(F)(F)F 3551601 GOJUNCVLDXRJBX-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB Cc1cc(Br)c(Cl)c2sc(N)nc12 3676520 PZRALQSDOXZZIX-UHFFFAOYSA-N 277.574 3.603 0 40 CHAB C[C@@]12CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 3830642 FMGSKLZLMKYGDP-ANPSJLJUSA-N 288.431 3.879 0 40 CHAB CCCCCc1c(C)c2ccc(OC(C)=O)cc2oc1=O 4109577 NKWXEEZUQVOUAX-UHFFFAOYSA-N 288.343 3.759 0 40 CHAB CCC(CC)C(=O)OCCCCOC(=O)C(CC)CC 4353214 CZIFSMDBHPYGFV-UHFFFAOYSA-N 286.412 3.725 0 40 CHAB CCS[C@@H](C)C[C@@H]1CC(=O)c2nc(CC)oc2C1 5508723 WHFXMHVIMZTIOR-VHSXEESVSA-N 267.394 3.514 0 40 CHAB O=C(NCCCn1ccc2ccccc21)c1ccsc1 12561523 MKKRFUGUWOTRJP-UHFFFAOYSA-N 284.384 3.523 0 40 CHAB Cc1nc2ccccc2nc1N1CCc2ccccc21 12727459 AHIUUPZVCFCOBB-UHFFFAOYSA-N 261.328 3.632 0 40 CHAB CCc1ccccc1OCC(=O)Nc1ccc(F)c(F)c1 13010520 BTSWTGBOXHGKBI-UHFFFAOYSA-N 291.297 3.545 0 40 CHAB CC(C)(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 13947013 YVIDQOBPYOYMJE-UHFFFAOYSA-N 295.448 3.549 0 40 CHAB O=C(Cc1cccc(F)c1)Nc1cccc2c1CCCC2 15302360 XOXFCEMZIIEAJK-UHFFFAOYSA-N 283.346 3.886 0 40 CHAB CCCCCCC(=O)Nc1ccc(C(=O)O)cc1C 20136678 QZMIYCWOHALMFE-UHFFFAOYSA-N 263.337 3.602 0 40 CHAB Cc1nc(N[C@H]2CCCc3ccccc32)sc1C(=O)O 20156595 WOOKATWQCMKZFQ-LBPRGKRZSA-N 288.372 3.639 0 40 CHAB Cc1ccc(CCC(=O)N[C@@H](C)c2cccnc2)c(C)c1 22692989 ZMAKEFGTZXJZGV-HNNXBMFYSA-N 282.387 3.508 0 40 CHAB CCOC(=O)Nc1c(-c2ccccc2)nc2ccccn12 26963139 PDJBWGMTNQYLBZ-UHFFFAOYSA-N 281.315 3.570 0 40 CHAB CC(C)c1ccccc1NC(=O)c1cc(C2CC2)[nH]n1 32776831 VPGCRNSVTGGQRS-UHFFFAOYSA-N 269.348 3.663 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(Oc2cnccn2)c1 32817537 OTBGWMHYGDEHRP-CYBMUJFWSA-N 295.342 3.564 0 40 CHAB Clc1ccc2c(c1)[C@@H]1CNC[C@H]1c1ccccc1O2 34220187 DQUCRGAOGUQHJQ-KBPBESRZSA-N 271.747 3.916 0 40 CHAB in-vitro CC(C)c1ccc([C@@H]2CC(O)=Nc3nc(N)sc32)cc1 36359735 PKTUFAYAMWFTLI-NSHDSACASA-N 287.388 3.972 0 40 CHAB O=C(NCc1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 36620346 VWBABVHBPMVLPI-QGZVFWFLSA-N 298.361 3.872 0 40 CHAB CCCCN1C(=O)S/C(=C\Nc2ccc(C)cc2)C1=O 36636202 UAALGQIWZQTITO-RAXLEYEMSA-N 290.388 3.744 0 40 CHAB COc1ccccc1[C@H](O)c1ccc(Br)cc1 37532260 KFWBRLAXHSSJCN-CQSZACIVSA-N 293.160 3.539 0 40 CHAB C[C@H](NCC[C@H]1CCCO1)c1ccccc1Cl 38095406 SDMYIDDJBLPLIS-NWDGAFQWSA-N 253.773 3.560 0 40 CHAB CC[C@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)C1 42145497 NDHSCGIHGZQIJT-RYUDHWBXSA-N 291.420 3.981 0 40 CHAB CC[C@H](C)n1c(C(C)=O)nc2cc(Cl)ccc21 53944107 MNUFQGZFHPEODI-QMMMGPOBSA-N 250.729 3.863 0 40 CHAB CC(C)C[C@H](C)N(C)C(=O)N[C@@H](C)Cc1ccsc1 57855990 NFHPWFLPDXWPQL-STQMWFEESA-N 282.453 3.755 0 40 CHAB c1ccc2c(c1)ncn2-c1ccc(CN2CCCC2)cc1 65372257 ZPXKKWFQIUTSHX-UHFFFAOYSA-N 277.371 3.621 0 40 CHAB Fc1nc(F)c(Cl)c(C(F)(F)F)c1Cl 68591111 FYJDKWOZKZPRHZ-UHFFFAOYSA-N 251.969 3.685 0 40 CHAB CC(=O)N1CCCC[C@H]1c1cccnc1Nc1ccccc1 72214173 KDWRXTQMUTYHNH-KRWDZBQOSA-N 295.386 3.899 0 40 CHAB CCCCN1CCC[C@H]1c1cccnc1N1CCCC1 72215988 ASMHQXCDBNWZIE-INIZCTEOSA-N 273.424 3.619 0 40 CHAB CCCO[C@@H](COC)c1ccc(Br)cc1 72220319 SELAMXKQGVMVCA-LBPRGKRZSA-N 273.170 3.563 0 40 CHAB Cc1ccccc1-c1cc(NC(=O)c2cccs2)n(C)n1 74285590 IWHXMUQDMCWJII-UHFFFAOYSA-N 297.383 3.709 0 40 CHAB Cc1cc(CSc2ncc(C(C)(C)C)o2)no1 89605059 SVUFIRRSSDEQGB-UHFFFAOYSA-N 252.339 3.561 0 40 CHAB O=c1c2sccc2[nH]c(=S)n1-c1cccc(Cl)c1 100020618 KHOYMUARWXPFOE-UHFFFAOYSA-N 294.788 3.763 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)c1oc(=O)cc(Br)c12 100367087 YYXYYZKUGAWUQG-CPFSXVBKSA-N 283.165 3.577 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)[C@H]1C[C@H]2C=C[C@H]1C2 102226372 ZIVWOLKXHXVHDY-NZBPQXDJSA-N 285.412 3.552 0 40 CHAB CCCNC(=O)c1cc(N)ccc1Nc1cc(C)ccc1C 225464971 NFNDLPYMHGIDDO-UHFFFAOYSA-N 297.402 3.769 0 40 CHAB Cc1cc(C(=O)C(F)(F)Cl)ccc1Br 306557692 NGBYYHQDSWPAMT-UHFFFAOYSA-N 283.499 3.772 0 40 CHAB CSCCC(=O)c1cc(F)c(Cl)c(F)c1 382676801 VFASPUMIXZYNOP-UHFFFAOYSA-N 250.697 3.554 0 40 CHAB CCOc1ccc2[nH]c(CC)c(C(C)C)c(=O)c2c1 685938495 VOAXHZRSKWIXSA-UHFFFAOYSA-N 259.349 3.613 0 40 CHAB Cc1ccc2c(C(=O)O)cc(-c3ccccc3)nc2c1 160869 FTDDWOPSQXABQF-UHFFFAOYSA-N 263.296 3.908 0 40 CHAB Clc1ccccc1-c1snc(Cl)c1-c1ncn[nH]1 162064 HPBSHMXTSZZCDO-UHFFFAOYSA-N 297.170 3.902 0 40 CHAB Fc1ccc(-n2cc(-c3ccccc3)[n+]3c2SCC3)cc1 251468 AULOGHLLNXAAAX-UHFFFAOYSA-N 297.378 3.677 0 40 CHAB Cc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1C 557641 BKDHRMWVRLFUGY-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB Cc1ccc(C(=O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 1615810 MMBCFNSKTNXEJX-HOTGVXAUSA-N 271.404 3.690 0 40 CHAB COc1ccc(OC(=O)/C=C/C=C/c2ccccc2)cc1 1783245 NDIPFXMRBVFNHR-NXZHAISVSA-N 280.323 3.870 0 40 CHAB CCCCC(=O)Nc1nnc(-c2ccc(Cl)s2)o1 2641629 FVZAATNAMNQOCM-UHFFFAOYSA-N 285.756 3.580 0 40 CHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(C)o2)cc1 2764191 ARESRASUSQCCOC-GFCCVEGCSA-N 257.333 3.641 0 40 CHAB CCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4033902 MCVVYYMAODSEGZ-UHFFFAOYSA-N 265.316 3.578 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nccn1C 5359470 IQDMKGDMSWBHJG-LLVKDONJSA-N 299.399 3.573 0 40 CHAB CCc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1 5686720 BFRJZUGDYXGRDU-UHFFFAOYSA-N 282.295 3.853 0 40 CHAB CCCCN1C(=O)S[C@@H](Cc2ccc(Cl)cc2)C1=O 6647635 BYYLTSWCWFXTJH-LBPRGKRZSA-N 297.807 3.747 0 40 CHAB C[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccco1 7741427 WSXWZRRMGZFYTA-GFCCVEGCSA-N 265.312 3.924 0 40 CHAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(F)cc2)cc1 7871760 DKCCNDUKTWLLPE-KPKJPENVSA-N 299.345 3.506 0 40 CHAB C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1N 8702535 DARADDOCGJKKFJ-SECBINFHSA-N 258.287 3.666 0 40 CHAB c1ccc2c(Cn3nnc(-c4ccsc4)n3)cccc2c1 9835749 PJQWQPCWSYSVDM-UHFFFAOYSA-N 292.367 3.603 0 40 CHAB CCCOc1ccc(C(=O)N2CCCCC2)cc1OCC 9974265 NSSLLUHGMJGSBM-UHFFFAOYSA-N 291.391 3.500 0 40 CHAB Cc1ccc(CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 10430185 AUQUSXGMHNZYFJ-UHFFFAOYSA-N 294.398 3.776 0 40 CHAB O=C(NCCc1ccccc1)c1cc2ccccc2s1 12376307 SBWLKUWPNYEHNO-UHFFFAOYSA-N 281.380 3.874 0 40 CHAB CCc1cccc(C)c1NC(=O)COc1cccc(F)c1 12818943 CASRHBLKEIXTQI-UHFFFAOYSA-N 287.334 3.714 0 40 CHAB CCC1CCC(NC(=O)Nc2ccccc2F)CC1 13325362 KTEINQVUHZASND-UHFFFAOYSA-N 264.344 3.916 0 40 CHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 13989030 HYSWNVVEOCZNBE-AWEZNQCLSA-N 269.344 3.709 0 40 CHAB Cc1ccccc1C(=O)N[C@H](C)c1ccc(F)cc1 15516815 ATLYPDKYOFOOJP-GFCCVEGCSA-N 257.308 3.625 0 40 CHAB COc1ccc(CNc2cc(Cl)ccc2OC)cc1 19914027 WGCPESDKQUQSTA-UHFFFAOYSA-N 277.751 3.969 0 40 CHAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2ccccc2n1 20464135 GQTKYUCWOKKEMI-UHFFFAOYSA-N 278.311 3.985 0 40 CHAB CCN(CC)C(=O)c1cccc2c3c([nH]c12)CCCCC3 24756727 GNMSBCDMRAGOQV-UHFFFAOYSA-N 284.403 3.919 0 40 CHAB C[C@H](CNC(=O)c1cccc2ncccc12)c1ccccc1 25447127 JBRVZUFSXLJFTK-CQSZACIVSA-N 290.366 3.768 0 40 CHAB COc1cccc2c1N(Cc1nc3ccccc3o1)CCC2 26338681 NNFPAXLSYIMTKS-UHFFFAOYSA-N 294.354 3.789 0 40 CHAB Cc1cc(N)n(-c2nc(-c3cc4ccccc4o3)cs2)n1 26421223 CUKCGQVGZWTHJR-UHFFFAOYSA-N 296.355 3.633 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)C[C@H]1C=CCC1 32781426 KYBDNXDWLBMJJA-RYUDHWBXSA-N 261.390 3.550 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCO1 32815978 PBOCICFYPWVIJD-LBPRGKRZSA-N 267.756 3.546 0 40 CHAB NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1 32827018 UPLKOEIKICEJFY-UHFFFAOYSA-N 296.153 3.671 0 40 CHAB CCC(=O)N[C@@H](c1ccccc1)c1ccc(C)c(C)c1 32986202 YXGNIJSJPUESQG-SFHVURJKSA-N 267.372 3.919 0 40 CHAB Cc1sc2nc([C@H](C)Nc3ccccc3)[nH]c(=O)c2c1C 33040191 JFWGJAAIYICPDB-JTQLQIEISA-N 299.399 3.775 0 40 CHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N(C)C2CCCC2)c1 38756493 DEPMFXDLDPCMRU-HNNXBMFYSA-N 289.419 3.780 0 40 CHAB CC(C)c1noc(CN(Cc2ccccc2)C(C)C)n1 40049395 GDZQHKWTILSYJJ-UHFFFAOYSA-N 273.380 3.604 0 40 CHAB Cc1cc(NC(=O)c2ccccc2C(F)(F)F)sn1 44226715 CUFLFJYQJJLNDD-UHFFFAOYSA-N 286.278 3.723 0 40 CHAB CC(C)(CNC(=O)C1CC1)c1ccc(Cl)c(Cl)c1 50499109 MEYIHFQSBHXWFO-UHFFFAOYSA-N 286.202 3.797 0 40 CHAB CCCOc1ccc(NC(=O)c2ccc(C)c(N)c2)cc1 51784958 XVEBZEOVVKEELS-UHFFFAOYSA-N 284.359 3.618 0 40 CHAB CCN1CCC[C@@H]1c1cccnc1Nc1ccccc1 72214129 JLGZLQINNHAURH-MRXNPFEDSA-N 267.376 3.982 0 40 CHAB c1ccc(Sc2ccc(C3=NCCC3)cn2)cc1 72217582 URXCBILTZUKGLH-UHFFFAOYSA-N 254.358 3.816 0 40 CHAB O=C(NC1CCCCCC1)N[C@H](c1nccs1)C1CC1 73434142 GOYJWMJGAAEINP-ZDUSSCGKSA-N 293.436 3.616 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)c2csc(C(C)C)n2)o1 79310821 QKKZVYXXOMSLTI-SNVBAGLBSA-N 278.377 3.659 0 40 CHAB O=C(Cc1ccccc1)Nc1ccc2[nH]c(C3CC3)nc2c1 79490377 QNEIZIYHTRNQTL-UHFFFAOYSA-N 291.354 3.622 0 40 CHAB Clc1cnc(NCCCOC2CCCCC2)s1 96003751 SRXCYTIKZJBPPR-UHFFFAOYSA-N 274.817 3.948 0 40 CHAB CC1(C)[C@H]2CC[C@@]1(C)C[C@@H]2COC(=O)c1ccc(N)cc1 100363075 YVLDLIKDVQTDRK-XUWXXGDYSA-N 287.403 3.888 0 40 CHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1C[C@H]2C=C[C@H]1C2 102094333 QIAUURQXKNJDAK-FPMFFAJLSA-N 296.395 3.961 0 40 CHAB O=C1[C@@H](c2ccccc2)[C@H]2CC[C@@H](O2)[C@@H]1c1ccccc1 104926542 NCLNSCDVGHOETK-BDXSIMOUSA-N 278.351 3.684 0 40 CHAB C[S@](=O)Cc1cc(NCc2cccs2)ccc1Cl 195559038 WZYJBGPQBOLKRA-SFHVURJKSA-N 299.848 3.892 0 40 CHAB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)CCC[C@]12O 253617292 HSOALUOHWZYSOE-WXJALIKYSA-N 290.447 3.815 0 40 CHAB COc1ccc2c(Cc3ccccc3)cncc2c1OC 409694 DRDADFBKXGOENN-UHFFFAOYSA-N 279.339 3.843 0 40 CHAB O=C(CN1CCCCCC1)Nc1ccc2ccccc2c1 811934 VHMLDGHBKXQASL-UHFFFAOYSA-N 282.387 3.654 0 40 CHAB O=C(O)COc1cc(-c2ccccc2)nc2cc(F)ccc12 1857142 VZGFJRSZCSKGEZ-UHFFFAOYSA-N 297.285 3.504 0 40 CHAB CC(C)(CO)[C@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@@H]12 4025298 UUJKDBXPGVPHKQ-LEOABGAYSA-N 264.409 3.545 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1C 6175647 AQCQZZGFOSBOFH-GYSYKLTISA-N 264.344 3.772 0 40 CHAB CCCCCc1nnc(NC(=O)C2CCCCC2)s1 6597855 ZQNKUKKFBPOQCY-UHFFFAOYSA-N 281.425 3.790 0 40 CHAB CCOc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OC 7609403 ICCHWWOVLWKKFE-ZRDIBKRKSA-N 297.354 3.746 0 40 CHAB COc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1Cl 44201242 AAVSRCHQLFKKOU-QPJJXVBHSA-N 278.691 3.706 0 40 CHAB CCS(=O)(=O)Nc1ccccc1Nc1ccc(C)cc1 58162769 FGUWUFUQINHHHR-UHFFFAOYSA-N 290.388 3.500 0 40 CHAB O=C(CC(F)(F)F)c1ccc(Br)cc1 36941782 ZIDCPZHLCKPYGO-UHFFFAOYSA-N 267.044 3.584 0 40 CHAB in-vitro Cc1cccc(NC(=S)NCCCOC2CCCC2)c1 57815703 DIVGPOSYFGCJGZ-UHFFFAOYSA-N 292.448 3.631 0 40 CHAB Cc1cc(C(=O)c2ccccc2Cl)c(N)s1 22048222 OFXVJJAAUSIJII-UHFFFAOYSA-N 251.738 3.523 0 40 CHAB in-vitro O=C(NCc1ccco1)c1ccc2[nH]c3c(c2c1)CCCC3 3362560 AQGBFULTDUWIHH-UHFFFAOYSA-N 294.354 3.570 0 40 CHAB C[C@H](Sc1ccc2ccccc2n1)C(=O)NC(C)(C)C 9114768 QBPQBFHXJCYZGW-NSHDSACASA-N 288.416 3.630 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 3814414 QADHLRWLCPCEKT-LOVVWNRFSA-N 290.447 3.671 0 40 CHAB endogenous,in-man CCCCOc1ccccc1[C@@H]1NC(=O)c2ccccc2N1 4045550 LQLUPUIMDSQRPQ-KRWDZBQOSA-N 296.370 3.720 0 40 CHAB Cc1cc(C)n2ncc(-c3ccccc3Cl)c2n1 5482748 FFORBHWDWPKFHL-UHFFFAOYSA-N 257.724 3.667 0 40 CHAB Cc1cccc(NC(=S)N(C)Cc2ccccc2)c1 5559538 YEBKZVILFDJQJB-UHFFFAOYSA-N 270.401 3.824 0 40 CHAB Cc1noc(C)c1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 23954675 QYUNENLDVCCVON-LLVKDONJSA-N 298.386 3.661 0 40 CHAB O=c1oc2ccccc2c2nn(-c3ccccc3Cl)cc12 6668026 HWDGFJHATBJRLL-UHFFFAOYSA-N 296.713 3.785 0 40 CHAB Cc1sc(NC2CC2)nc1-c1ccc(F)c(F)c1 7274552 VNNOCPKUBNIADD-UHFFFAOYSA-N 266.316 3.971 0 40 CHAB O=C(NCCOc1ccc2ccccc2c1)c1ccccc1 8116280 GOYBEGANMHSWDQ-UHFFFAOYSA-N 291.350 3.649 0 40 CHAB Cc1ccccc1SCC(=O)Nc1cccc(F)c1 8287880 WNDUQFJTRSAQEW-UHFFFAOYSA-N 275.348 3.865 0 40 CHAB CCc1cc(C(=O)Nc2ccc(C)cc2O)sc1C 8378587 KBMFYIUPTSAOPY-UHFFFAOYSA-N 275.373 3.885 0 40 CHAB COc1cc(F)ccc1NC(=O)c1c(C)cccc1C 71916480 ZZROBWJHGQCCJB-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB COc1ccc2oc(-c3ccc(Cl)c(N)c3)nc2c1 20156620 KCJAERUVSSZQBF-UHFFFAOYSA-N 274.707 3.739 0 40 CHAB Cc1nc(N[C@@H](C)c2ccc(Cl)cc2)sc1C(=O)O 20156587 GUGOXVJHYHTQMZ-ZETCQYMHSA-N 296.779 3.976 0 40 CHAB CCc1ccc2nc(-c3cc(N)ccc3O)sc2c1 62719972 YXZPJTJURQRQEZ-UHFFFAOYSA-N 270.357 3.814 0 40 CHAB CC(C)C[C@H]1C(=O)NCCc2c1[nH]c1ccc(Cl)cc21 77024454 SPTWXIHUPUVJAE-CYBMUJFWSA-N 290.794 3.623 0 40 CHAB COc1ccc(CC(=O)c2cccc(C)c2C)cc1 38126132 JGYNJHQMNSAETN-UHFFFAOYSA-N 254.329 3.737 0 40 CHAB O=C1C[C@H]2C=CC=C[C@@H]2N1c1c(Cl)cccc1Cl 216645054 GGLIFNUEQAHJRB-SKDRFNHKSA-N 280.154 3.841 0 40 CHAB Cc1ccc2nc(-c3cncc(Br)c3)oc2c1 73636327 CWUWRUHZPOZSFJ-UHFFFAOYSA-N 289.132 3.961 0 40 CHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC(C)C 30867393 FKCNDIZVXJCNFR-HNNXBMFYSA-N 277.408 3.623 0 40 CHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCC(C)C 44884430 VOYDZSKWGUBUBX-INIZCTEOSA-N 285.387 3.769 0 40 CHAB Cc1ccc(OCCCCNC(=O)C2CCCCC2)cc1 40122457 HUMIFGYJULXTTK-UHFFFAOYSA-N 289.419 3.851 0 40 CHAB Clc1nc(N2CCCCCC2)nc2ccccc12 82046942 OEBRWQUEECRKOD-UHFFFAOYSA-N 261.756 3.664 0 40 CHAB OC1CCC(N[C@H]2CCSc3c(Cl)cccc32)CC1 90799909 GCMRMPVCTKPUOA-MGULZYLOSA-N 297.851 3.770 0 40 CHAB COc1cccc(OC)c1C(=O)c1cc(F)cc(Cl)c1 95916211 KZMJEVCVZFTJKH-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB Cc1ccccc1[C@@H]1CCN(C(=O)C2CCCC2)C1 69846337 NXOHNFOZIPDHGG-OAHLLOKOSA-N 257.377 3.501 0 40 CHAB CCCCC(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C 12941259 CKUSGQKDQMDQHT-CQSZACIVSA-N 299.418 3.857 0 40 CHAB Cc1ccc(CN2C[C@H](C)C(=O)Nc3ccccc32)cc1 16904033 NTNGDPDVQQBITD-AWEZNQCLSA-N 280.371 3.590 0 40 CHAB O=C(Nc1cccc(F)c1)Nc1c[nH]c2ccccc12 5299935 FMHOUEMZYHKTBR-UHFFFAOYSA-N 269.279 3.951 0 40 CHAB O=C(COc1ccccc1)c1ccc(OC(F)F)cc1 575242982 QAZUFBYUYKJZNA-UHFFFAOYSA-N 278.254 3.550 0 40 CHAB CCc1cccc(C)c1NC(=O)NCc1cccs1 40512085 ABZQMYDAGLQFNV-UHFFFAOYSA-N 274.389 3.941 0 40 CHAB CCc1nc(CN(C)CC2CCCCC2)cs1 32769951 QQTQFEAVLMWBHS-UHFFFAOYSA-N 252.427 3.718 0 40 CHAB O[C@H](c1ccccc1)[C@H](CN1CCCC1)c1ccccc1 346114 PVXJJESJYYEWMJ-RTBURBONSA-N 281.399 3.600 0 40 CHAB Cc1nnc(Nc2ccc(Cl)c(Cl)c2)s1 72572 WTSPYGGTIQWZHV-UHFFFAOYSA-N 260.149 3.897 0 40 CHAB C[C@@H]1CN=C(Nc2ccccc2C(F)(F)F)S1 86380 OFEJRSOFLKICOC-SSDOTTSWSA-N 260.284 3.609 0 40 CHAB Cc1ccc(O/C=C2\OC(=O)c3ccccc32)cc1 481158 ICNQMBJSVOIODG-GDNBJRDFSA-N 252.269 3.543 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(C)cc2C)cc1 514573 UCIAHZISHKETJX-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccccc12 1399481 AMZPPNWSFZCREA-UHFFFAOYSA-N 284.746 3.751 0 40 CHAB O=C(O)C[C@H](c1ccccc1)[C@@H](CC(=O)O)c1ccccc1 1597033 CDAXWFKYGWELRY-IYBDPMFKSA-N 298.338 3.503 0 40 CHAB CCN(C)c1ccc(C(=O)c2ccc(N(C)CC)cc2)cc1 2547544 WJLVDUQVYDVHDC-UHFFFAOYSA-N 296.414 3.830 0 40 CHAB O=C(COC(=O)c1ccc(F)cc1Cl)c1ccccc1 3228629 UKKFDWCNORCHGE-UHFFFAOYSA-N 292.693 3.519 0 40 CHAB CCCOC(=O)c1ccc(NC(=O)C(C)(C)CC)cc1 4590444 OLLGUDHSZJGNDY-UHFFFAOYSA-N 277.364 3.628 0 40 CHAB Fc1ccccc1-c1ccc(NCc2ccccc2)nn1 4968293 KKDUCBRQUGUPOH-UHFFFAOYSA-N 279.318 3.895 0 40 CHAB Cc1ccc2c(c1)c1ncnc(N3CCC[C@H](C)C3)c1n2C 5490030 ZJPYKGTWLHTNEA-ZDUSSCGKSA-N 294.402 3.666 0 40 CHAB Cc1cccc(C)c1NC(=O)c1cccnc1Cl 6207678 CRRRGBYAMGNSGM-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CCc1cccc(NS(=O)(=O)c2ccccc2Cl)c1 7057496 CEGLVZDPMGPFFK-UHFFFAOYSA-N 295.791 3.703 0 40 CHAB CCSc1ccccc1C(=O)NCCC(C)C 7068877 ZDDDVZRZFLZDQI-UHFFFAOYSA-N 251.395 3.575 0 40 CHAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CC=CCC1 7970563 WISKPWBVKKTKRE-VIFPVBQESA-N 253.704 3.774 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 8778480 PIPFBDBHSVCKBB-RISCZKNCSA-N 291.354 3.824 0 40 CHAB O=C(Nc1ccccc1F)c1ccccc1OC(F)F 9255549 YVDHJVQUAWROPQ-UHFFFAOYSA-N 281.233 3.679 0 40 CHAB Nc1oc2ccccc2c(=O)c1-c1cccc(Cl)c1 11692160 NXKSUQKTNCBHAW-UHFFFAOYSA-N 271.703 3.696 0 40 CHAB Cc1ccccc1NCc1cc2cccc(C)c2[nH]c1=O 12492325 FXHGWEIUQQGILV-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB O=C(NC1CCCCC1)C1(c2cccc(F)c2)CCC1 12906196 QGQBNLKPZGUDTF-UHFFFAOYSA-N 275.367 3.696 0 40 CHAB c1ccc2c(c1)OC[C@@H](CNc1nc3ccccc3s1)O2 13003515 DLPBKPPYLIYOAO-LLVKDONJSA-N 298.367 3.548 0 40 CHAB C[C@H]1CCCCN1Cc1cccc(Br)c1 14193893 UHXYFARSBSNTGR-NSHDSACASA-N 268.198 3.824 0 40 CHAB C[C@H]1C[C@@H]1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 14199304 ZOVVTZGROAUXGD-SJCJKPOMSA-N 299.345 3.890 0 40 CHAB CCN(CC)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14396233 PYHNFADQTXSFSA-ZDUSSCGKSA-N 277.408 3.620 0 40 CHAB CC(C)c1cc(C(=O)NCc2ccco2)c2ccccc2n1 14634191 JYEOALVZUGTDNS-UHFFFAOYSA-N 294.354 3.881 0 40 CHAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccccc1 15841840 AEWPSSQSUOZYEC-UHFFFAOYSA-N 288.350 3.746 0 40 CHAB NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20136363 OOCDBPCZWQPKJV-DUXPYHPUSA-N 282.126 3.752 0 40 CHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C)nc1 22698140 AJCMJSNJQUJFJS-AWEZNQCLSA-N 286.400 3.601 0 40 CHAB O=C(Nc1cccnc1)C1(c2cccc(F)c2)CCCC1 29519256 NTYYSKZGZFNAQY-UHFFFAOYSA-N 284.334 3.671 0 40 CHAB Cc1cccnc1NC(=O)Cn1ccc2c(Cl)cccc21 32089943 IIUREEXGOIUQJW-UHFFFAOYSA-N 299.761 3.637 0 40 CHAB COc1ccc(-c2ccc(C(C)=O)cc2)cc1OC 33428018 XHMQWMYHNAYUFL-UHFFFAOYSA-N 256.301 3.573 0 40 CHAB CC(C)(C)C(=O)NCc1ccc(-c2ccc(F)cc2)o1 40052581 RGSAUFMRFWOJKR-UHFFFAOYSA-N 275.323 3.748 0 40 CHAB CC(C)c1ccc(COCC[C@H]2CCCNC2)cc1 48895426 WJVNPDHPSXGTIF-OAHLLOKOSA-N 261.409 3.716 0 40 CHAB CCOc1ccc(N[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 57634858 CZSBSTTWJATWJS-AWEZNQCLSA-N 292.423 3.531 0 40 CHAB Cc1cnccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72219542 FTMAJZHILUJHNO-CQSZACIVSA-N 276.380 3.852 0 40 CHAB O=c1ccn(Cc2cccc3cccnc23)c2ccccc12 72289836 OFHKXLRXDHHCAW-UHFFFAOYSA-N 286.334 3.598 0 40 CHAB C[C@H](N(C)C(=O)c1cc(-c2ccccc2)on1)C1(C)CC1 75108228 FMYXAZUYKURYDB-LBPRGKRZSA-N 284.359 3.602 0 40 CHAB Cc1noc(C)c1C(=O)N1CCC(=Cc2ccccc2)CC1 89526124 HKXVJUAAMVQBJQ-UHFFFAOYSA-N 296.370 3.611 0 40 CHAB Cc1noc(C)c1-c1nc2ccc(F)cc2n1C1CC1 95442608 CWCJXOBKUKJMPM-UHFFFAOYSA-N 271.295 3.782 0 40 CHAB CC(C)C[C@@H](C)N1CCC(C(=O)NC2CCCCC2)CC1 95457070 GHRCACKUQSMIDE-OAHLLOKOSA-N 294.483 3.582 0 40 CHAB CCOCC1(c2cccc(Br)c2)CC1 96515638 VDPHBGUENQEACQ-UHFFFAOYSA-N 255.155 3.517 0 40 CHAB CC[C@H](c1ccccc1)[S@](=O)Cc1nc(C)c(C)o1 97083634 KNDFGTMXAUBJBN-KUHUBIRLSA-N 277.389 3.691 0 40 CHAB CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@H]13 100393168 LRLCVRYKAFDXKU-DYIBVVGTSA-N 280.415 3.928 0 40 CHAB biogenic,in-vitro O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1cccc(Cl)c1 100449362 NYTRSJIUYQSYKZ-XYPYZODXSA-N 280.751 3.804 0 40 CHAB Cc1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100817658 OBIQXTUOYQUGFG-QGZVFWFLSA-N 288.354 3.643 0 40 CHAB Cc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 102939780 GZTRXDNKWBCGQK-OAHLLOKOSA-N 258.365 3.791 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCc1c[nH]c2ccccc12 104673791 OMIVVNMEZHTGMN-DZKIICNBSA-N 296.414 3.653 0 40 CHAB COc1ccccc1CCCNC(=O)c1ccc(C)c(C)c1 223146031 RSQQVGGNQFULPJ-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCCC1)CC(C)(C)O2 225273711 ULCFWHRERJBWBX-HNNXBMFYSA-N 287.403 3.904 0 40 CHAB CCCOC(C)(C)C(=O)Nc1cc(C)c(OCC)c(C)c1 225728228 JHVGOMFWMQNPGB-UHFFFAOYSA-N 293.407 3.846 0 40 CHAB Fc1cc(F)c(OC(F)(F)F)cc1Br 306389627 RURHXUGBRQNQLJ-UHFFFAOYSA-N 276.986 3.626 0 40 CHAB C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@H]2O 26299 NLLMJANWPUQQTA-SPUZQDLCSA-N 270.372 3.529 0 40 CHAB in-vitro Cc1ccc(Cl)cc1N[C@@H]1OC(=O)c2ccccc21 91761 PHIJICDQJGQSRT-CQSZACIVSA-N 273.719 3.930 0 40 CHAB COc1ccccc1/C=C1/C(=O)Nc2ccc(Cl)cc21 213522 IPKCIICJMRRRTE-MDWZMJQESA-N 285.730 3.841 0 40 CHAB Cc1ccc(-c2n[nH]cc2C(=O)c2ccccc2C)c(O)c1 1247845 PFYFDYAFQRNSSO-UHFFFAOYSA-N 292.338 3.630 0 40 CHAB CN(C)c1ccc(C(=O)C2(Cl)CCCCC2)cc1 1565285 KUOCITIHCITJCN-UHFFFAOYSA-N 265.784 3.877 0 40 CHAB O=C1[C@@H](CN2CCCCC2)CCC[C@@H]1c1ccccc1 1637851 YZZLWLVHJAYMRB-IAGOWNOFSA-N 271.404 3.625 0 40 CHAB CCOC(=O)Nc1cccc2c1Cc1ccccc1-2 1713237 DFCBTEMDPJMHCY-UHFFFAOYSA-N 253.301 3.826 0 40 CHAB COc1cc(NCCNC2CCCCC2)c2ncccc2c1 1873642 AXPPENWHSLAJNX-UHFFFAOYSA-N 299.418 3.578 0 40 CHAB Cc1ccc2oc(-c3cccs3)c(O)c(=O)c2c1 1933212 ALJNQXFRDFKNDU-UHFFFAOYSA-N 258.298 3.536 0 40 CHAB CN(C)CCCCc1c2c(cc3c1CCC3)CCC2 2193162 PZGZGSYRQUAJKG-UHFFFAOYSA-N 257.421 3.548 0 40 CHAB CCCCOc1ncnc2c1[nH]c1ccc(Cl)cc12 2416542 IUZULNKHSDNSAB-UHFFFAOYSA-N 275.739 3.943 0 40 CHAB CC(C)c1ccc(SCCc2cccc[n+]2C)cc1 3065137 IVYQFQQASYQJHK-UHFFFAOYSA-N 272.437 3.969 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)Nc1cc(F)ccc1F 3611383 UALZTUPRKBRNMC-FPYGCLRLSA-N 277.245 3.756 0 40 CHAB C[C@@H](NCc1cccnc1)C12CC3CC(CC(C3)C1)C2 4168183 KJVLVVDSJRPNIS-MZHSRFCDSA-N 270.420 3.776 0 40 CHAB Cc1ccc(Cl)cc1NCc1nnc2n1CCCCC2 4518137 XCSUQDJOLFKVCF-UHFFFAOYSA-N 290.798 3.578 0 40 CHAB Nc1nnc(SC2c3ccccc3-c3ccccc32)s1 4602433 MLDZORMBHBYMLU-UHFFFAOYSA-N 297.408 3.982 0 40 CHAB CSc1nc(OC(C)C)c2c3c(sc2n1)CCC3 5024693 WUARCCUAJADYCM-UHFFFAOYSA-N 280.418 3.689 0 40 CHAB COc1ccc(NC(C)=O)cc1N[C@@H](C)c1ccccc1 5090448 PWHSSFFRZDCMQP-LBPRGKRZSA-N 284.359 3.827 0 40 CHAB Cc1ccnc(NC(=O)Nc2c[nH]c3ccccc23)c1 5265514 GRKQUBJQXCKVKR-UHFFFAOYSA-N 266.304 3.515 0 40 CHAB Cc1ccc(Cn2nc(-c3ccccc3C)ccc2=O)cc1 5409778 UWXYPZUDXLIAIG-UHFFFAOYSA-N 290.366 3.575 0 40 CHAB CCCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 5608048 DWLDSJFIPWDKHL-UHFFFAOYSA-N 266.772 3.679 0 40 CHAB COc1ccc([C@@]2(C)NN=C(c3ccc(C)cc3)S2)cc1 5745667 PVUHQJKLXJUZGL-KRWDZBQOSA-N 298.411 3.875 0 40 CHAB O=C1C[C@H](C2CCCCC2)c2c(c3ccccc3[nH]c2=O)O1 6667846 RAZQPNBBWUNGJU-CYBMUJFWSA-N 297.354 3.501 0 40 CHAB COc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)C)cc1 7924256 BLOFJUKQMXNRFE-QGZVFWFLSA-N 283.371 3.822 0 40 CHAB Cc1nc(Nc2cccc(Cl)c2C)sc1C(=O)O 8024591 ZHDWZZHEYUKGGI-UHFFFAOYSA-N 282.752 3.855 0 40 CHAB Cc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)O)c1 8306415 FAUZSVOWRRLWJS-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB Cc1cccc(C)c1NC(=O)CCc1ccsc1 12891774 YDKJVUSCHVLGDU-UHFFFAOYSA-N 259.374 3.936 0 40 CHAB CC(C)(C)C1CCC2(CC1)NC(=O)N(c1ccccc1)N2 15015182 HDOIYBDZSQKHKI-UHFFFAOYSA-N 287.407 3.653 0 40 CHAB O=C(NCc1ccccc1F)c1cc2ccccc2cc1O 17064140 BRCMHQFSLMXYHW-UHFFFAOYSA-N 295.313 3.615 0 40 CHAB COc1ccccc1O[C@@H](C)CN[C@@H](C)c1ccccc1 19737860 GOELAECIDCMZCB-GJZGRUSLSA-N 285.387 3.813 0 40 CHAB Clc1ccc(CNCCc2cccs2)s1 20053012 BRHQHMXOOAXJLS-UHFFFAOYSA-N 257.811 3.795 0 40 CHAB C[C@@H](NCc1cccc(O)c1)c1cccc(Cl)c1 20124298 BTUJPHUQQIAJRL-LLVKDONJSA-N 261.752 3.896 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)N1CCCCCC1 20238711 SWOBUMGRHSUIRI-AWEZNQCLSA-N 277.433 3.711 0 40 CHAB Cc1c(-c2ccccc2O)nc2cc3c(cc2c1C)OCO3 24513333 MXMIXGIVMACDKI-UHFFFAOYSA-N 293.322 3.953 0 40 CHAB O=C(C[C@@H]1C=CCC1)N1CCc2[nH]c3ccc(F)cc3c2C1 25530715 LKJMQKDINXRADX-GFCCVEGCSA-N 298.361 3.548 0 40 CHAB CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1S 27584856 IKQJDXAIKNYEMQ-UHFFFAOYSA-N 283.400 3.864 0 40 CHAB Cc1ccc(NC(=O)CCOCC(C)C)c2cccnc12 31752689 XPNRCSPEIASWFP-UHFFFAOYSA-N 286.375 3.544 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)CCc2c[nH]c3ccccc23)C1 32031339 WSZZAOSAGCQOJG-UKRRQHHQSA-N 284.403 3.795 0 40 CHAB Cc1cccc(-n2nc(C)c3c(C)cc(=O)oc32)c1Cl 32099434 JUCWQJPLWYFDQO-UHFFFAOYSA-N 288.734 3.557 0 40 CHAB Cc1ccc(Cl)c2c(Br)ccnc12 32099856 QLNSCSDZCRFWAD-UHFFFAOYSA-N 256.530 3.959 0 40 CHAB COc1ccc2cc(CNC(=O)C(C)(C)C)ccc2c1 32882952 CHYNSLYPRHCUKO-UHFFFAOYSA-N 271.360 3.511 0 40 CHAB CCCCNC(=O)N[C@@H](C)c1ccc(Br)cc1 33040323 YIVJOEUEIOVQKU-JTQLQIEISA-N 299.212 3.609 0 40 CHAB COc1ccc2[nH]cc(C(=O)c3ccccc3C)c2c1 37364275 VRCDCTJMSVFQJA-UHFFFAOYSA-N 265.312 3.716 0 40 CHAB c1ccc2c(c1)C[C@@H](CN[C@H]1CCSc3ccccc31)O2 38009331 AVRZCZDPAKATHV-HOCLYGCPSA-N 297.423 3.817 0 40 CHAB CC(C)NC(=O)Nc1ccccc1NC(=O)CC(C)(C)C 47375308 BYYWSOGFGUNOMI-UHFFFAOYSA-N 291.395 3.591 0 40 CHAB CSCc1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1 48622988 GBFKLISBDBZEDO-UHFFFAOYSA-N 288.397 3.515 0 40 CHAB Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 48948692 WKMMXRUGVHXVED-ZETCQYMHSA-N 296.729 3.575 0 40 CHAB Cc1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1C 55731642 DAFKPQOIUKVWCY-OAHLLOKOSA-N 283.371 3.501 0 40 CHAB CC[C@@H](C)c1csc(NC(=O)c2ccoc2)n1 67853588 MBPMNTLCDOOZPC-MRVPVSSYSA-N 250.323 3.502 0 40 CHAB CO[C@H](C(=O)Nc1cccc([C@@H](C)OC)c1)c1ccccc1 69811750 XMBYTGXQPMQETR-DYVFJYSZSA-N 299.370 3.720 0 40 CHAB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)c1ccccc1 72208700 RQSNYTYIUVNWHZ-GJZGRUSLSA-N 291.391 3.510 0 40 CHAB Cc1ccncc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72211424 ZDHGTQWKYHVDHC-CQSZACIVSA-N 276.380 3.852 0 40 CHAB CC(C)N1CCC[C@H]1c1cccnc1N1CCCCC1 72216102 RNPBKBCUWLXFSK-INIZCTEOSA-N 273.424 3.617 0 40 CHAB Cc1cnccc1[C@@H]1CCCN1Cc1ccccc1 72219503 VKZHVDUEJBFGRM-KRWDZBQOSA-N 252.361 3.727 0 40 CHAB Cc1ccc2oc(N3CCN(C)CC34CCCCC4)nc2c1 75103610 RELJZPDDLAQLBV-UHFFFAOYSA-N 299.418 3.591 0 40 CHAB CCN(C(=O)N[C@H]1C[C@H]1c1ccccc1)C1CCCCC1 84761176 GGSVKMCQIHUTBS-IRXDYDNUSA-N 286.419 3.907 0 40 CHAB Cc1cccc2c1C(=O)N[C@H](c1cnc(C3CCC3)s1)N2 89688964 NMGGGIIOSOCNQA-CQSZACIVSA-N 299.399 3.573 0 40 CHAB Fc1ccc(COc2cccc(C(F)(F)F)n2)cc1 95418167 MMCSGNXPWXFMIW-UHFFFAOYSA-N 271.213 3.819 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1cc(F)c(F)cc1F 95916695 QQWVHKCSCVSJQL-UHFFFAOYSA-N 272.172 3.613 0 40 CHAB CCc1ccccc1NC(=O)[C@H](C)c1ccccc1 96318519 GLEHEZLAHDNSPP-CYBMUJFWSA-N 253.345 3.991 0 40 CHAB CO[C@H](C)c1cccc(NC(=O)NCC(C)(C)SC)c1 96434554 RKIRTOUYQNUGEC-LLVKDONJSA-N 296.436 3.657 0 40 CHAB CN(Cc1cc2ccccc2o1)C(=O)[C@H]1C[C@H]1c1ccco1 96445183 SLIIAIRXEVYBDX-CABCVRRESA-N 295.338 3.788 0 40 CHAB CC(C)(CO)[C@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@H]12 102805111 UUJKDBXPGVPHKQ-LJIZCISZSA-N 264.409 3.545 0 40 CHAB COc1cccc2cc(/C=C(\C)c3cnccn3)oc12 221884710 NHAGXPUIIYEJPK-DHZHZOJOSA-N 266.300 3.792 0 40 CHAB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@@H](C)C(=O)O 223191220 AQUBNLIEFUUUMI-RYUDHWBXSA-N 261.365 3.560 0 40 CHAB CCCc1ccc(OCCNC(=O)c2cccc(C)c2)cc1 223436446 QPSOFTUAKMGHKA-UHFFFAOYSA-N 297.398 3.756 0 40 CHAB Fc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1 225851667 BIKNBILZWQXYBS-UHFFFAOYSA-N 278.396 3.835 0 40 CHAB Fc1ccccc1NC(=S)Nc1ccc2conc2c1 409201040 NDYLYQXDGRKRKO-UHFFFAOYSA-N 287.319 3.776 0 40 CHAB O=C(CSCc1ccccc1)Nc1ccccc1 54238 BSVKTDZTZBLGIA-UHFFFAOYSA-N 257.358 3.559 0 40 CHAB N#C[C@@H]1c2ccccc2C=CN1C(=O)C1=CCCCC1 85502 TWPVSKQOCKYSJE-MRXNPFEDSA-N 264.328 3.565 0 40 CHAB CCOC(=O)N[C@@H]1c2ccccc2Oc2ccc(C)cc21 143949 PFIRRKVRAAJDQE-MRXNPFEDSA-N 283.327 3.936 0 40 CHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC(c2ccc(O)cc2)CC1 105946099 NSWSUBGJGLCPHW-QANKJYHBSA-N 299.414 3.534 0 40 CHAB CN(C)CCOc1ccc(Cl)cc1Cc1ccccc1 1678375 QIYMBRBOACGJMB-UHFFFAOYSA-N 289.806 3.871 0 40 CHAB O=S1(=O)CC[C@@H](Sc2ccccc2)c2ccsc21 1398495 WBOPFGHZQCCSSV-GFCCVEGCSA-N 296.438 3.759 0 40 CHAB CC(C)Sc1ccccc1C(=O)NCc1ccncc1 7495388 AQJMNOOMYGVVFF-UHFFFAOYSA-N 286.400 3.512 0 40 CHAB Cc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)no1 57769255 DCXYBYNSWWMFSK-SECBINFHSA-N 279.727 3.519 0 40 CHAB CN(C)[C@@H](Cc1ccccc1)C(=O)c1cc2ccccc2o1 9514983 MKROPNILIRXSKL-INIZCTEOSA-N 293.366 3.788 0 40 CHAB O=C1c2ccccc2[C@@]2(Br)[C@H]1[C@@H]1CC[C@@H]2C1 101038051 DTGPQHLJVNVICK-HNCHUZPSSA-N 277.161 3.519 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(C(F)(F)F)cc1 2580329 LADJNFYCKXDRPS-UHFFFAOYSA-N 288.265 3.622 0 40 CHAB CCc1nc(CSc2ccc(NC(C)=O)cc2)cs1 12750017 YOWBINIBPGMORO-UHFFFAOYSA-N 292.429 3.956 0 40 CHAB Cc1ccc(CSCC(=O)NCc2cccc(C)c2)cc1 10447487 PKKRXGIVVGVLQO-UHFFFAOYSA-N 299.439 3.853 0 40 CHAB Cc1ccccc1NC(=O)[C@]12C[C@@H]3CC[C@@]1(C)[C@@]3(C)CO2 100749596 VEXFIHOUSZHFJY-XDKFSHSGSA-N 285.387 3.529 0 40 CHAB CSCc1ccc(C(=O)Nc2ccccc2F)o1 12976352 HSEGEXSJPKHFOH-UHFFFAOYSA-N 265.309 3.534 0 40 CHAB CCc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1 13148604 NCTDKGMKVIGFEM-FOWTUZBSSA-N 263.340 3.766 0 40 CHAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCCC2)o1 28229448 OPFWGRNROQTOJY-UHFFFAOYSA-N 298.386 3.745 0 40 CHAB c1nc(NC2CC2)c2c3c(sc2n1)CCCCC3 6510299 COFRBJRQPKBMSK-UHFFFAOYSA-N 259.378 3.535 0 40 CHAB O=C(COc1cccc2ccccc12)Nc1cccc(F)c1 4666193 AUPXIQFFHGQYQU-UHFFFAOYSA-N 295.313 3.996 0 40 CHAB O=C(Nc1cccc2ncccc12)c1cc2ccccc2[nH]1 5938830 GKHSCNTYTZFKFT-UHFFFAOYSA-N 287.322 3.968 0 40 CHAB C[C@H]1CCC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C1 19842493 ZURHLWABVSCWRZ-YJBOKZPZSA-N 290.426 3.522 0 40 CHAB c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)nc1 7845348 MHPGESWSWADMSC-UHFFFAOYSA-N 296.351 3.643 0 40 CHAB O=C1N[C@@H](c2ccc(Cl)cc2Cl)Nc2ccccc21 9549628 QMGHPKAGSIZNHG-ZDUSSCGKSA-N 293.153 3.848 0 40 CHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 18241572 LJSHBNLHKBRLSU-ISTRZQFTSA-N 291.350 3.541 0 40 CHAB C[C@@H](CCc1ccccc1)NC(=O)c1c[nH]c2ccccc12 8879809 PBNNWWVEXOIYJZ-AWEZNQCLSA-N 292.382 3.919 0 40 CHAB biogenic COCCn1nc(C)c(NCc2coc3ccccc23)c1C 97137776 QAPBNNRTLZWYRY-UHFFFAOYSA-N 299.374 3.505 0 40 CHAB Cc1cc(C(=O)NC(C)(C)c2nc(C)c(C)s2)c(C)o1 76478597 ORHSWLOKMJLWFL-UHFFFAOYSA-N 292.404 3.635 0 40 CHAB CC(C)(C)Cc1nc(CCNc2ccc(Cl)cc2)n[nH]1 62719066 LPEDREYVXSVJDU-UHFFFAOYSA-N 292.814 3.701 0 40 CHAB CCOC(OCC)c1ccc(Br)s1 39335663 HEKKQBZTQMVFOA-UHFFFAOYSA-N 265.172 3.582 0 40 CHAB CCN1CCCC[C@@H]1c1cnc(N2CCCCC2)cc1C 72219236 PVIZCTHGELKOQT-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB Cc1cc(CNC(=O)Nc2ccc(C)c(C)c2)c(C)o1 70640527 UONDRXTWLQAQRP-UHFFFAOYSA-N 272.348 3.835 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(C)c(C)c1 136994619 QSQOVBHFMOBEDN-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB O=C(Nc1ccccc1CN1CCCC1)c1cccc(F)c1 40090881 ACEGWKNVLBNOEM-UHFFFAOYSA-N 298.361 3.674 0 40 CHAB Cc1ccc(NC(=S)NCCCc2ccco2)c(C)c1 225804170 IZXYRHIAKVKBPI-UHFFFAOYSA-N 288.416 3.816 0 40 CHAB O=C(O)[C@@H](Cc1ccc(F)cc1)Oc1ccccc1Cl 225053471 BUZSFGFLRKCPGF-CQSZACIVSA-N 294.709 3.554 0 40 CHAB CCOc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1C 225135025 GIZZWEHIQQYDSL-HNNXBMFYSA-N 297.398 3.927 0 40 CHAB COc1ccc2cc([C@H](O)c3ccco3)ccc2c1 49956079 OZWNHCICXOPXRS-INIZCTEOSA-N 254.285 3.523 0 40 CHAB CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1 225642635 MCOLAKYJRDHINH-SJCJKPOMSA-N 291.391 3.618 0 40 CHAB Cc1ccc(CCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C 260790447 BDOPXSCOYPXFEC-ULQDDVLXSA-N 271.404 3.541 0 40 CHAB C[C@@H](NC(=O)C(C)(C)C)c1cccc(Br)c1 30464657 MODOWYYSDCXCPY-SECBINFHSA-N 284.197 3.672 0 40 CHAB CC(C)(C)[C@@H]1CCCN(C(=O)c2ccnc3ccncc23)C1 280531856 MNLRMHSGMHOFCP-CYBMUJFWSA-N 297.402 3.528 0 40 CHAB C[C@@H](Cc1csc2ccccc12)NC(=O)C1CCC1 575606059 JNIPUYDPQRGKSG-NSHDSACASA-N 273.401 3.749 0 40 CHAB Cc1nn(C(C)C)cc1CNc1ccc2ccnc(O)c2c1 584464003 GDXJZLTYYZPTBC-UHFFFAOYSA-N 296.374 3.638 0 40 CHAB O=C(Nc1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2 57573820 JBZIFZLCPWPYCH-UHFFFAOYSA-N 288.366 3.916 0 40 CHAB FC(F)(F)c1cc(Br)c2nc(Cl)[nH]c2c1 35899233 FVOKVEPOZUFIPJ-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(C)c2)c1 5814865 JSJJVPHZPSZGTG-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)CC(C)(C)C1 13138455 RJOWTKXJOABMPB-GIPNMCIBSA-N 292.250 3.901 0 40 CHAB c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 17730074 WBVHPGIBBFVLKN-UHFFFAOYSA-N 292.367 3.798 0 40 CHAB O=C(NC(Cl)=C(Cl)Cl)Nc1ccc(F)cc1 159297 IOCGMFGGOAKGPH-UHFFFAOYSA-N 283.517 3.790 0 40 CHAB CSCCn1c(-c2ccccc2)cc(C(=O)O)c1C 2380625 CRMIMMZBNCPQQD-UHFFFAOYSA-N 275.373 3.525 0 40 CHAB Cc1cc(CSc2nc(Cc3ccccc3)c(C)[nH]2)no1 20067089 AKTHBOIPKPCKFS-UHFFFAOYSA-N 299.399 3.898 0 40 CHAB CC(C)(C)c1nc(CSc2nc3ccccc3[nH]2)no1 28008406 BQGWGNNKWNXIPP-UHFFFAOYSA-N 288.376 3.536 0 40 CHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1ccco1 253473182 SLPXYDYAUGQHIY-XEHSLEBBSA-N 295.338 3.786 0 40 CHAB Nc1nccc(/C=C/c2c(Cl)cccc2Cl)n1 4323315 VJYIFHVNPXXRNM-SNAWJCMRSA-N 266.131 3.536 0 40 CHAB CCCNc1ccnc2c(OC(F)(F)F)cccc12 50843598 ZEIFCEZWJSBVGT-UHFFFAOYSA-N 270.254 3.955 0 40 CHAB in-vitro O=C(Nc1ccc(-c2ccccc2)oc1=O)c1ccccc1 164242 BBSRJEAJNSAACC-UHFFFAOYSA-N 291.306 3.559 0 40 CHAB O=C(Oc1ccc(Cl)c2cccnc12)c1ccncc1 234900 WAUCPEVPURHOAP-UHFFFAOYSA-N 284.702 3.502 0 40 CHAB Cn1c(-c2ccccc2)cnc1NCc1ccc(F)cc1 819065 XPSRUGOLYCOXIS-UHFFFAOYSA-N 281.334 3.838 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2C2(C)CC2)cc1 33783 NREUXGXNIHZGSO-UHFFFAOYSA-N 281.355 3.999 0 40 CHAB CCOc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 278222 NTTXMDOOOWQIOI-UHFFFAOYSA-N 278.735 3.724 0 40 CHAB NC[C@H]1c2ccccc2C=Cc2ccc(Cl)cc21 346943 QCWCAHQGBJXAGH-INIZCTEOSA-N 255.748 3.914 0 40 CHAB O=C(COc1ccc2ccccc2c1)NCc1ccccc1 493250 YDTSROUWUSLBFA-UHFFFAOYSA-N 291.350 3.535 0 40 CHAB S=C(Nc1ccccc1)N1N=CC[C@H]1c1ccccc1 544288 RHRRXBKEBUYZJL-HNNXBMFYSA-N 281.384 3.816 0 40 CHAB Cc1ccc(-c2cc[n+](Cc3ccccc3)cc2)cc1 3043546 QAAZLWWQPBMLOQ-UHFFFAOYSA-N 260.360 3.998 0 40 CHAB O=C(NCCSc1ccc(Cl)cc1)c1ccccc1 3050333 JCAYJVXHGOUUII-UHFFFAOYSA-N 291.803 3.862 0 40 CHAB CCCCN(CC)C[C@@H](O)COc1ccccc1C(C)C 3344857 LTYIDVOKOVSMMW-MRXNPFEDSA-N 293.451 3.672 0 40 CHAB Nc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1 3491464 QGJXVDRECTZYDN-UHFFFAOYSA-N 295.289 3.959 0 40 CHAB O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O 4312757 ZDMKAROYJIWVLD-UHFFFAOYSA-N 282.217 3.776 0 40 CHAB Cc1cc(N)cc(-c2nc3cc(Cl)ccc3o2)c1O 4412668 BHJAESJZGKKGPQ-UHFFFAOYSA-N 274.707 3.744 0 40 CHAB CCN(CC)CCC[C@@H](C)N1C[C@H]2CCCC[C@H]2C1 4802674 BYMCWUJUHHZIBS-ZACQAIPSSA-N 266.473 3.619 0 40 CHAB C=Cn1cccc1-c1ccc(C(=O)C(F)(F)F)o1 5377638 ALTJDVUGNHRDST-UHFFFAOYSA-N 255.195 3.594 0 40 CHAB S=C(Nc1ccccc1)Nc1ccccc1S 5593368 VBSNXUWQQVRWSR-UHFFFAOYSA-N 260.387 3.784 0 40 CHAB CC(C)(C)C(=O)COC(=O)c1cc(Cl)ccc1Cl 5860526 QJZIEIRDPGBURR-UHFFFAOYSA-N 289.158 3.765 0 40 CHAB Cc1ccc(F)cc1NC(=O)CCc1ccccc1 6389737 QZFVIVZTBMXTJP-UHFFFAOYSA-N 257.308 3.705 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)[C@]2(C)CC2(Cl)Cl)[C@@H]1C 6525543 FYNCDKRQFLAWQU-WYFGTUCQSA-N 278.223 3.511 0 40 CHAB CCCNCc1cc(Cl)cc(Cl)c1OCC 7262336 RFJYQSPOMQLONX-UHFFFAOYSA-N 262.180 3.892 0 40 CHAB COc1ccc2cc(/C=C/C(=O)NC3CCCC3)ccc2c1 8076352 GHJOSQZRJAGWLV-YRNVUSSQSA-N 295.382 3.920 0 40 CHAB COc1ccc(CNc2ccc(C)cc2C)cc1OC 8701813 FLBBLVGNEFBJGS-UHFFFAOYSA-N 271.360 3.933 0 40 CHAB O=C(Nc1ccccn1)c1cc(F)c(Cl)cc1Cl 12552593 FQAAJCNINWRUOA-UHFFFAOYSA-N 285.105 3.780 0 40 CHAB Cc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)n1 12631772 HRKYZGPNKMKORF-UVTDQMKNSA-N 296.351 3.631 0 40 CHAB O=C(CCc1ccco1)Nc1ccc(O)c2ccccc12 12750701 MTFUCJMGCCHDPX-UHFFFAOYSA-N 281.311 3.710 0 40 CHAB CC(C)c1noc2ncc(C(=O)Nc3ccccc3)cc12 14076216 HJTNAILEPRUTFU-UHFFFAOYSA-N 281.315 3.599 0 40 CHAB Cc1cccc(NC(=O)Nc2ccc(F)c(F)c2)c1 16499953 QZAPKYHJKKZLTA-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB Cc1ccc(Oc2cc(=O)oc3ccccc23)cc1 17117843 SRNQMCKKFVLDSM-UHFFFAOYSA-N 252.269 3.894 0 40 CHAB Cn1ccc([C@@H]2CCCCCN2Cc2ccc(F)cc2)n1 19291073 ZYUZDVUVYWQOTJ-KRWDZBQOSA-N 287.382 3.677 0 40 CHAB CC(C)COc1ccccc1C(=O)Nc1cccc(N)c1 19736025 RAVAATIGISSVIW-UHFFFAOYSA-N 284.359 3.556 0 40 CHAB CC(C)=CC(=O)N1CC[C@H](C)Sc2ccccc21 22897964 PZSGCPCWZZZOCO-LBPRGKRZSA-N 261.390 3.870 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)c(C)c1 25661926 MZYLIMMLLISOLF-UHFFFAOYSA-N 295.386 3.551 0 40 CHAB CCNC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 25977406 TXNAYOKBQZGXGA-UHFFFAOYSA-N 286.331 3.629 0 40 CHAB CN(Cc1ccccc1)C[C@H](O)c1ccccc1Cl 31912059 YZHZTOJXJQQTES-INIZCTEOSA-N 275.779 3.505 0 40 CHAB COC(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2)o1 34994038 FNAUIOZSTZRXFS-UHFFFAOYSA-N 299.248 3.697 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 36622213 CQKNLCRBHNMRQL-HZPDHXFCSA-N 297.398 3.682 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(F)c2)C1 43324208 WTTNFFBBCOZNCL-CQSZACIVSA-N 294.370 3.637 0 40 CHAB Fc1cc(Br)ccc1-c1ccccn1 45028358 IEVHCVMHZVDWDG-UHFFFAOYSA-N 252.086 3.650 0 40 CHAB O=C(c1c(F)cccc1F)c1cncc2ccccc12 45028912 JFAICDLYINSBRY-UHFFFAOYSA-N 269.250 3.744 0 40 CHAB CC[C@H](NCc1cccc(OC)c1OC(F)F)C(C)C 49127562 DCDGCZSIDYXJAY-LBPRGKRZSA-N 287.350 3.821 0 40 CHAB COc1cc(C)c(-c2ncnc3sccc23)c(C)c1 65428571 DRSMTWBQMBQKRC-UHFFFAOYSA-N 270.357 3.984 0 40 CHAB OCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 71781320 DFIYQZIHZLMLHU-UHFFFAOYSA-N 268.234 3.990 0 40 CHAB CC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 71910084 RFHRDYHXHPZPBF-AWEZNQCLSA-N 251.757 3.804 0 40 CHAB CC(C)(C)OC(=O)N1CC[C@H](Sc2ccc(F)cc2)C1 72203982 AUGONQZUUQXPDK-ZDUSSCGKSA-N 297.395 3.927 0 40 CHAB Cc1nccc([C@H]2CCCCN2Cc2ccccc2)n1 72379992 LXPAICJYVKKCAB-QGZVFWFLSA-N 267.376 3.512 0 40 CHAB CCCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344386 KSVCJTXCSVZUBE-NEPJUHHUSA-N 272.175 3.623 0 40 CHAB c1ccc(N[C@@H]2CCN(Cc3nc4ccccc4o3)C2)cc1 84553354 GNBOPMSAKTYPTB-OAHLLOKOSA-N 293.370 3.514 0 40 CHAB CSCCCCNC(=O)N1C[C@H](C)[C@H]1c1ccccc1 84705592 DFGAJKPZXJYPPQ-ZFWWWQNUSA-N 292.448 3.532 0 40 CHAB Cc1ncccc1C(=O)N1C[C@H](C)Sc2ccccc21 88222866 ABOPEQCEPOWSHN-NSHDSACASA-N 284.384 3.531 0 40 CHAB CCSCc1cccc(NCc2cccnc2)c1 95429263 OCACTNBESOWWDH-UHFFFAOYSA-N 258.390 3.947 0 40 CHAB CC(C)(C)n1cnc2ccc(Br)cc21 95629692 RMPQGDULPICHJK-UHFFFAOYSA-N 253.143 3.554 0 40 CHAB Cc1nc(C)c(C(=O)N2CCC3(CCCCC3)C2)s1 96425590 GIEJGWXMNCLJQL-UHFFFAOYSA-N 278.421 3.556 0 40 CHAB CCOC(=O)[C@](C)(F)c1ccc2cc(OC)ccc2c1 98174854 JLIIVYRPKUQUOM-MRXNPFEDSA-N 276.307 3.596 0 40 CHAB OC1[C@@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 100464472 USAKVYHRWZXKIZ-BNCGXOKJSA-N 293.410 3.849 0 40 CHAB CCCn1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)nc2ccccc21 108981127 KUNWDXMSOCRNOV-IHRRRGAJSA-N 297.402 3.821 0 40 CHAB CC[C@@H](C)Oc1cccc([C@@H](C)NC[C@@H]2CCCO2)c1 225167810 JLUASHWRFHLWRX-CPUCHLNUSA-N 277.408 3.694 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(F)cc1 247976936 DCENHGZVVNSKFP-BXUZGUMPSA-N 281.396 3.613 0 40 CHAB CCc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260658739 ARJPJMAJTBEQAE-YDHLFZDLSA-N 274.433 3.724 0 40 CHAB O=C(c1cc(F)c(Cl)c(F)c1)C(F)(F)Cl 308796515 HLFCURHWXNGFPN-UHFFFAOYSA-N 261.001 3.633 0 40 CHAB Cc1cccc(CN2C(=O)COc3ccc(Cl)cc32)c1 408602597 CTEOGVLGODPZHT-UHFFFAOYSA-N 287.746 3.574 0 40 CHAB CCN1C(=O)/C(=C\c2ccccc2OC)c2ccccc21 409120912 UNDZKQUUYVEJFY-QINSGFPZSA-N 279.339 3.602 0 40 CHAB Cc1cc(Cl)nc(NC(=O)Nc2cccc(Cl)c2)n1 3159103 ZXVOEFFGWCXKKH-UHFFFAOYSA-N 297.145 3.736 0 40 CHAB O=C(Nc1ccc2c(c1)Cc1c(F)cccc1-2)C(F)(F)F 1598760 GEZRZSQKJQSPTQ-UHFFFAOYSA-N 295.235 3.898 0 40 CHAB CN1c2ccccc2C[C@@H]1c1cn(C)c2ccccc12 2043018 FHTYDKVQMHMJSU-GOSISDBHSA-N 262.356 3.912 0 40 CHAB c1ccc(OCc2cc(-c3ccccc3)no2)cc1 1393805 HORAKMNOIUCEJM-UHFFFAOYSA-N 251.285 3.921 0 40 CHAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1cccc(F)c1 55862642 IRMGNUYFPROYPC-BBRMVZONSA-N 273.351 3.846 0 40 CHAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 1469760 WFFCINYGPKVRNQ-CYBMUJFWSA-N 299.370 3.664 0 40 CHAB C(=C\c1nc2ccccc2[nH]1)\c1nc2ccccc2[nH]1 4877099 OLUOIVJKRJJSKM-KTKRTIGZSA-N 260.300 3.610 0 40 CHAB COc1ccc(-c2csc(NC3CC3)n2)cc1F 7274821 GWEGVTAXGUMHBS-UHFFFAOYSA-N 264.325 3.532 0 40 CHAB CC(C)CCOCC(=O)Nc1ccc(Cl)c(Cl)c1 57992907 SMPSIRFBDQIGQL-UHFFFAOYSA-N 290.190 3.995 0 40 CHAB O=C(CCc1ccc(Cl)cc1)N1CCc2ccccc2C1 53663108 CRNKVQCPMYIVBK-UHFFFAOYSA-N 299.801 3.858 0 40 CHAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc(Cl)cc1 100979662 FCUJTLQCFAGEOA-IJLUTSLNSA-N 278.783 3.898 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2 118934925 CVCDJRPXEWJAAY-GWETXUJWSA-N 290.447 3.671 0 40 CHAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccncc1 10627992 FEPNQTTUTVOJMZ-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB Cc1cccc(C)c1C(=O)c1ccc(CN2CC=CC2)cc1 2514902 QWXFCVIUAVWPJU-UHFFFAOYSA-N 291.394 3.906 0 40 CHAB C[C@H](Nc1ncnc2sccc12)c1ccccc1 2640358 PKUUIPIUCXLTDX-JTQLQIEISA-N 255.346 3.864 0 40 CHAB COc1cccc(-c2nc(-c3ccc(O)cc3O)cs2)c1 12683385 PDEMLWGZMIDCIX-UHFFFAOYSA-N 299.351 3.897 0 40 CHAB Cc1ccc(C)n1[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 48355709 LFFSZNDMDOKLKO-CJNGLKHVSA-N 284.403 3.586 0 40 CHAB O=C(Nc1ccccc1F)OC[C@H]1C[C@H]2C=C[C@H]1C2 104171309 XHVOMUHAHXEEON-SDDRHHMPSA-N 261.296 3.586 0 40 CHAB CSc1ncccc1C(=O)N[C@H]1CCCc2ccccc21 3402642 IVDRLEYQEPWDIL-HNNXBMFYSA-N 298.411 3.611 0 40 CHAB Cc1ccnc(NC(=O)/C=C/c2c(F)cccc2Cl)c1 13208422 PWGIIPJFYJROPH-AATRIKPKSA-N 290.725 3.834 0 40 CHAB Cc1nc(CN(C)CCCc2cccc3ccccc23)no1 95466702 HXYLXKSUYJORMO-UHFFFAOYSA-N 295.386 3.596 0 40 CHAB CC1(C)C[C@]2(CO)C[C@@](C)(CC3=C2[C@H](CO)C(C)(C)C3)C1 4127734 HFSMBLYAAAYWSS-ZOCIIQOWSA-N 292.463 3.920 0 40 CHAB CC[C@H](NCc1ccc(C)cn1)c1ccccc1OC 95416622 OYUGZESLZVSLQO-INIZCTEOSA-N 270.376 3.640 0 40 CHAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2F)cc1 8106804 QUBZNGJHQCCKCZ-LBPRGKRZSA-N 287.334 3.794 0 40 CHAB CCC[C@H](Nc1nnnn1-c1ccccc1)c1ccccc1 8204895 VKJGOALKVDIAOM-INIZCTEOSA-N 293.374 3.616 0 40 CHAB COc1ccc(-c2[nH]nc3c2oc2ccccc23)cc1 8691853 PYEAYDWIQYHLFE-UHFFFAOYSA-N 264.284 3.985 0 40 CHAB CCCCn1ncc(Br)c1CO[C@H](C)CC 408715250 AEKOPSXARCAMAD-SNVBAGLBSA-N 289.217 3.761 0 40 CHAB CCCN1C(=O)/C(=C\c2ccccc2OC)c2ccccc21 409118030 PUMXOPUPNCTDHJ-SSZFMOIBSA-N 293.366 3.992 0 40 CHAB CCc1cc(N)cc2nc(-c3ccc(OC)c(OC)c3)oc12 73642646 XVFSUKKYTBTTOB-UHFFFAOYSA-N 298.342 3.657 0 40 CHAB COc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1OC 30756468 TWAGWCPBWAHMMY-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2C)cc1 30753855 ZCNHWBOUXAVHQM-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCC1CCCCC1 224292768 LRFIZNLHCDPZPC-GFCCVEGCSA-N 295.810 3.804 0 40 CHAB COC(C)(C)c1noc([C@H]2C[C@H]2c2ccccc2C)n1 85237852 VHYUZQQJXWAQAN-STQMWFEESA-N 272.348 3.531 0 40 CHAB Cc1nc(C(C)C)ncc1C(=O)Nc1cccc(Cl)c1 222570463 ILLHZCBXDCCHTB-UHFFFAOYSA-N 289.766 3.814 0 40 CHAB Cc1cccc(Nc2ccc(NC(=S)NC3CC3)cn2)c1 224032482 LTDZZIGOHLIVGZ-UHFFFAOYSA-N 298.415 3.582 0 40 CHAB CCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCCC1 225707756 KSTWYNPQMZPFBG-UHFFFAOYSA-N 291.391 3.600 0 40 CHAB CCCN(CCCC(=O)O)c1cccc(C(F)(F)F)c1 224996579 BGYWRTXXVHLPRQ-UHFFFAOYSA-N 289.297 3.787 0 40 CHAB Fc1cc(F)c(C(F)(F)F)c(F)c1Br 90557873 WXJUJSRSVAUNLE-UHFFFAOYSA-N 278.977 3.885 0 40 CHAB CCC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CC 257311638 UKJXCADTUGPDTK-LTKULKHWSA-N 293.451 3.523 0 40 CHAB CC(C)(C)OC(=O)N1CCC2(CCC(N)CC2)CC1(C)C 1083104410 ZCYVIXMZJDWAHL-UHFFFAOYSA-N 296.455 3.684 0 40 CHAB O=C(CCSc1ccccc1)NC1CCC(F)(F)CC1 341534197 QSVRVYHXCHRKML-UHFFFAOYSA-N 299.386 3.863 0 40 CHAB Cc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 16311188 GJQWBWOWGMFSPP-UHFFFAOYSA-N 270.357 3.577 0 40 CHAB Cc1ccccc1NC(=O)[C@@H](NC1CCCCC1)C(C)C 5000442 PYVGUUWPKLATOD-KRWDZBQOSA-N 288.435 3.880 0 40 CHAB S=c1[nH]nc(-c2ccco2)n1C/C=C/c1ccccc1 5731357 KYZPOHFQRBFCDI-XBXARRHUSA-N 283.356 3.914 0 40 CHAB Cc1cc2n(n1)[C@H](c1ccsc1)Nc1ccccc1-2 13132421 MXLMWGVMQZOPLG-OAHLLOKOSA-N 267.357 3.892 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 13708800 HWCVNARIRNTRTI-QWHCGFSZSA-N 271.360 3.522 0 40 CHAB FC(F)(F)c1nc2cc(Br)c(Cl)cc2[nH]1 13209822 UHERXXCCJSTBOA-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB O=C(Nc1ccccc1)N1CC[C@@H](c2ccccc2)C1 263465 MZAQOOWXHQBKBK-OAHLLOKOSA-N 266.344 3.708 0 40 CHAB O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)N1CCCC1 551124 QKRWAYNFRANIMC-HNNXBMFYSA-N 287.334 3.563 0 40 CHAB Cc1cccc(NC(=O)OCCOc2ccccc2)c1 1751338 GRGHPTHOAGDCNF-UHFFFAOYSA-N 271.316 3.623 0 40 CHAB O=C(CC1CCCC1)OCc1cc(-c2ccccc2)on1 12236650 MYHBTMYGJFADRA-UHFFFAOYSA-N 285.343 3.965 0 40 CHAB C[C@H]1C[C@@H](C)CN(c2csc3ccc(F)cc3c2=O)C1 17245020 BZFWPSWCUFPRIP-PHIMTYICSA-N 291.391 3.883 0 40 CHAB O=C(Nc1ccccc1F)N1CC[C@H](c2ccccc2)C1 38567328 RONRYNYKNSIPBT-AWEZNQCLSA-N 284.334 3.847 0 40 CHAB O=Cc1ccc(Sc2cccc3cccnc23)o1 65134 RDSWWSUEKUWICW-UHFFFAOYSA-N 255.298 3.792 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccccc1OC 513696 KRXCFRKEWYYWGY-UHFFFAOYSA-N 269.344 3.818 0 40 CHAB C[C@H](Oc1ccc(Cl)cc1Cc1ccccc1)C(=O)O 22149853 BCTZOGLOMWLHGD-NSHDSACASA-N 290.746 3.783 0 40 CHAB COc1ccccc1[C@]1(O)C(C)(C)[C@H]2CC[C@]1(C)C2 354057 SGISQVBZQSXLCD-VUCTXSBTSA-N 260.377 3.729 0 40 CHAB biogenic Cc1occc(=O)c1OCc1ccc(Cl)cc1Cl 1405151 UDKDZFOQBNMDIS-UHFFFAOYSA-N 285.126 3.834 0 40 CHAB CCOC(=O)c1ccccc1NC(=O)c1cc(C)ccc1C 6375266 MSTVASZZWDKMOS-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB CCOc1ccc(C(=O)O)cc1/C=N/c1ccc(C)cc1 6963869 YALJNYKAHICQFH-WOJGMQOQSA-N 283.327 3.843 0 40 CHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc2cccnc12 108900355 YIICVHRRJITHEL-QEJZJMRPSA-N 280.371 4.000 0 40 CHAB O=C(c1ccco1)N(Cc1cccc(F)c1)Cc1ccco1 28231918 XOSKDOCZTADTFE-UHFFFAOYSA-N 299.301 3.854 0 40 CHAB Clc1ccc(COC[C@@H]2CCCNC2)c(Cl)c1 28521988 YRKZFPQWMLSAGA-SNVBAGLBSA-N 274.191 3.510 0 40 CHAB CC[C@@H](C)[C@@H](NC(=O)c1ccco1)c1nc2ccccc2[nH]1 47173892 SHPREZPCIRDNRU-IAQYHMDHSA-N 297.358 3.673 0 40 CHAB O=C(O)c1ccc(Oc2ccccc2Br)o1 12336536 KFHNUUPDODOIQS-UHFFFAOYSA-N 283.077 3.533 0 40 CHAB COc1ccc(C(=O)Nc2ccccc2SC)cc1F 25722003 HRWAECZQXKWHQA-UHFFFAOYSA-N 291.347 3.809 0 40 CHAB Cc1ccc2[nH]c(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1 4702661 GWZIGNWOPPWTPR-CHWSQXEVSA-N 270.376 3.594 0 40 CHAB c1cncc(CCN[C@@H]2CC3(CCC3)Oc3ccccc32)c1 95420051 YTFXKFQNMDPSCS-QGZVFWFLSA-N 294.398 3.660 0 40 CHAB CCc1ccccc1NC(=O)CCc1cc(C(C)=O)c(C)o1 9390083 CAMDAHHNUGLDKX-UHFFFAOYSA-N 299.370 3.924 0 40 CHAB CCNCc1ccc2c(c1)c1ccccc1n2CC 4942794 GVBUTYANMFTTCU-UHFFFAOYSA-N 252.361 3.924 0 40 CHAB Cc1cnc(NC(=O)c2cccc3ccccc23)s1 9583891 SHTNNZJGZBJGOM-UHFFFAOYSA-N 268.341 3.857 0 40 CHAB CSc1ncccc1C(=O)Nc1cc(C)ccc1F 9954777 HRWUKZVJNGWZOI-UHFFFAOYSA-N 276.336 3.503 0 40 CHAB Cc1ccnc(N(C(=O)OC(C)(C)C)C(C)C)c1 114666841 VOVIUUMIASJFEC-UHFFFAOYSA-N 250.342 3.540 0 40 CHAB O=C(Cc1ccccc1)Sc1nnc(-c2ccccc2)o1 408531316 NSVULVIKFVOIGS-UHFFFAOYSA-N 296.351 3.598 0 40 CHAB CCc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=O 36905256 BRAHVMAVIYVKCR-UHFFFAOYSA-N 269.131 3.554 0 40 CHAB CCc1nn(C)cc1N[C@H](CC)c1ccc2c(c1)CCCO2 540782821 UZOSKSVYFGRNST-OAHLLOKOSA-N 299.418 3.871 0 40 CHAB CC[C@@H](N)c1ccc(SCc2ccccc2)nc1 72225417 NCHRGSXLELQBPL-CQSZACIVSA-N 258.390 3.784 0 40 CHAB Cc1ccc(-c2nc3ccccc3s2)cc1-n1cnnc1 45886753 MNEWXIKNULVRMK-UHFFFAOYSA-N 292.367 3.852 0 40 CHAB Clc1ccc(-c2ncc(-c3cccnc3)[nH]2)cc1 216628633 YYCWYUCIZBBXPQ-UHFFFAOYSA-N 255.708 3.792 0 40 CHAB COc1ccc(-c2ccc(/C=C/C(=O)O)s2)cc1 44201353 CSFSWWPOAAOONW-VQHVLOKHSA-N 260.314 3.522 0 40 CHAB COc1ccc2c(c1)c(C(C)=O)c(C)n2CC(C)C 223771777 BFHWTPLOZBZVGD-UHFFFAOYSA-N 259.349 3.817 0 40 CHAB CCCOCc1cc(C(=O)N[C@H](C)CCC)ccc1OC 224418544 LHJCNAISNMEPGX-CYBMUJFWSA-N 293.407 3.540 0 40 CHAB COc1ccc(OCc2c(F)cccc2Cl)c(CO)c1 49345559 BGPQZXVFKVZMIR-UHFFFAOYSA-N 296.725 3.559 0 40 CHAB Cc1cccc(-c2nc(-c3ccc(C)c(N)c3)no2)c1 225174513 FHFOLDGUMYBYOX-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB Cc1cc(C)n(CCSCc2ncc(C(C)C)o2)n1 85228809 JROJWMWYKJAMTD-UHFFFAOYSA-N 279.409 3.545 0 40 CHAB Cc1nn(C(C)C)cc1CNc1cn(CC(C)C)nc1C 256054451 WHZDZKLAEPRMEQ-UHFFFAOYSA-N 289.427 3.545 0 40 CHAB Cn1ccc(CS[C@H]2CCCc3ccccc32)cc1=O 69511459 SBURLLGMSSSBMR-INIZCTEOSA-N 285.412 3.696 0 40 CHAB Cc1c(-c2cc(=N)[nH]n2C)sc2ccc(Cl)cc12 1888899151 HOKDGJQWNHMRNL-UHFFFAOYSA-N 277.780 3.676 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 5764361 CBMYJHIOYJEBSB-VXZRPZIYSA-N 292.463 3.751 0 40 CHAB endogenous,in-man O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 14910588 SDXVYTSZAINWHR-UHFFFAOYSA-N 298.361 3.607 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC(C)(C)C1 19931519 QOYXEMLDLNEWCL-HNNXBMFYSA-N 293.382 3.632 0 40 CHAB Brc1cc(Br)c2ncccc2c1 169396023 ZOGJTWOWOXFJRU-UHFFFAOYSA-N 286.954 3.760 0 40 CHAB CO[C@H](CNC(=O)[C@@H]1CC=CCC1)c1ccccc1Cl 121847805 MHPXTXOHBIUXLM-IUODEOHRSA-N 293.794 3.500 0 40 CHAB COc1cccc(NC(=O)Nc2cccc(C)c2)c1 5796029 RYADNXJEFFDVJO-UHFFFAOYSA-N 256.305 3.648 0 40 CHAB CC(C)(C)C(=O)Nc1nnc(C2CCCCC2)s1 2490687 WMIHCJYBBPRWER-UHFFFAOYSA-N 267.398 3.570 0 40 CHAB O=C(c1ccc(Br)s1)C1CCCC1 36173083 GVLQTTRDVCULAC-UHFFFAOYSA-N 259.168 3.884 0 40 CHAB CC[C@H](C)C(=O)c1ccc(Br)c(C)c1 229248751 GFPHXVVPVFWBCY-QMMMGPOBSA-N 255.155 3.986 0 40 CHAB O=C(c1ccccc1)c1ccc2cccc3nc[nH]c1c23 18167346 CZTWKRPOUUXEIB-UHFFFAOYSA-N 272.307 3.947 0 40 CHAB CCc1c(C=O)c(C)n(Cc2ccc(C)cc2)c1C 22122275 IIBVPNSENHLIAA-UHFFFAOYSA-N 255.361 3.837 0 40 CHAB CC(=O)Nc1cccc([C@H](C)NCc2ccc(C)s2)c1 20187663 GGRQPYCMIUYYIG-LBPRGKRZSA-N 288.416 3.866 0 40 CHAB CSc1ccc(NC(=O)OCC(F)(F)F)cc1 32628770 MMKZNQXVJNYBRS-UHFFFAOYSA-N 265.256 3.519 0 40 CHAB CCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1 383719 APGNWGFTFDEHNY-UHFFFAOYSA-N 256.301 3.613 0 40 CHAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 32978366 RRFBOSYOUDJSBL-KDOFPFPSSA-N 295.382 3.710 0 40 CHAB CCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 483786 LZEXAXRBGRAXMT-HNNXBMFYSA-N 271.385 3.656 0 40 CHAB C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(Cl)s1 33191577 WZDUFKVXTUINSU-ILFKPUCNSA-N 281.764 3.885 0 40 CHAB CCOc1ccc([C@@H](O)c2nc3ccccc3n2CC)cc1 502469 DXZSNADZTIYAFE-QGZVFWFLSA-N 296.370 3.537 0 40 CHAB COc1ccc2nc(-c3ccccc3)c(C=O)cc2c1 359235 RKXZPRNPGOVEGM-UHFFFAOYSA-N 263.296 3.723 0 40 CHAB O=Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 359464 FTKFWBRBQCQSHY-UHFFFAOYSA-N 285.368 3.692 0 40 CHAB COc1ccccc1-c1nnc(-c2ccc(F)cc2)o1 359810 GGXKELFEJRJDKV-UHFFFAOYSA-N 270.263 3.551 0 40 CHAB Cc1ccc(OCc2nc(-c3ccc(C)cc3)no2)cc1 496760 PRKJYNIBYUXBIA-UHFFFAOYSA-N 280.327 3.932 0 40 CHAB c1ccc(CNc2cc(-c3ccccc3)ncn2)cc1 1286837 KCSUEBVVBFSLRP-UHFFFAOYSA-N 261.328 3.756 0 40 CHAB CC(=O)CC(=O)O[C@@H](CC(C)C)C[C@H](C)CC(C)C 1665822 KVEZJNRZRRMMIV-HIFRSBDPSA-N 270.413 3.996 0 40 CHAB Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]2(O)[C@H]1CCCCN1 1668786 GLZCSJATWRPEOC-VQIMIIECSA-N 287.447 3.606 0 40 CHAB N=C(COc1ccc(Cl)c(Cl)c1)N1CCCCC1 3159248 WGABYNJPRVVANE-UHFFFAOYSA-N 287.190 3.835 0 40 CHAB FC(F)(F)c1cccc(OCCNCc2ccccc2)c1 3363321 PHEPDUKMSVKWHZ-UHFFFAOYSA-N 295.304 3.874 0 40 CHAB O=C(OCc1nc2ccccc2s1)c1cccc(F)c1 3466950 ILQLSGNBYMYHEZ-UHFFFAOYSA-N 287.315 3.792 0 40 CHAB CC(=O)c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 3500051 XBAYTOCJXLTWAF-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3CC[C@@H]2C1 5158797 UBKGPRKTCCVVBP-VQIMIIECSA-N 285.431 3.884 0 40 CHAB Cc1cccc(NC(=O)CSc2ccc(F)cc2)c1 5192510 PWRHVCOMLPCMQA-UHFFFAOYSA-N 275.348 3.865 0 40 CHAB Cn1cc(NC(=O)NCc2ccc(F)cc2)c2ccccc21 5265700 XAAWINRLHLPARR-UHFFFAOYSA-N 297.333 3.639 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)C1(c2ccccc2)CC1 5937150 JXIJUWOIOHJYSJ-GOSISDBHSA-N 291.394 3.912 0 40 CHAB COc1ccc2nc(SCc3ccccc3)[nH]c2c1 6786825 OEFRKYNZBGSTRS-UHFFFAOYSA-N 270.357 3.864 0 40 CHAB Cc1ccc(-c2nnc([C@H](C)Sc3ncccn3)o2)cc1 6986858 HLUXBKZSMTXHOH-NSHDSACASA-N 298.371 3.688 0 40 CHAB CCCCCNCc1cc(Cl)c(OC)c(OC)c1 7261234 RXGITJZBIMFYAB-UHFFFAOYSA-N 271.788 3.637 0 40 CHAB Cc1ccccc1CSc1nnc([C@H](N)CC(C)C)o1 8321173 SMIIBYMLUWYGMJ-CYBMUJFWSA-N 291.420 3.716 0 40 CHAB O=C(Nc1ccc2scnc2c1)c1ccccc1 8737134 UQFLPCBMVUFUPY-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB O=C(OCc1nc2ccccc2s1)c1cc(Cl)c[nH]1 8762284 JOZKHQFKHRUZTD-UHFFFAOYSA-N 292.747 3.635 0 40 CHAB CCOCCCNC(=O)c1cc2c(ccc3ccccc32)o1 9094961 UAECLDAKXIAOLE-UHFFFAOYSA-N 297.354 3.742 0 40 CHAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)on3)cs2)cc1 9385452 UVORMEONCHBEKJ-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC1 12546119 XSVPCDITMZUHQC-UHFFFAOYSA-N 290.366 3.536 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1nc2ccccc2s1 12971761 UJJWCTPVOCXRLA-JTQLQIEISA-N 258.346 3.591 0 40 CHAB CC[C@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 12982798 VYCXGWNPLNBFNR-NSHDSACASA-N 276.380 3.656 0 40 CHAB CC(=O)Nc1ccccc1/C=C\c1ccccc1NC(C)=O 13403057 RDMZSJZTXVYOQQ-QXMHVHEDSA-N 294.354 3.774 0 40 CHAB CCCNC(=O)c1oc2c(Cl)cccc2c1C 14183145 JWARBRPIKKGBCL-UHFFFAOYSA-N 251.713 3.534 0 40 CHAB Oc1cc(-c2ccc(F)cc2)nn1-c1nc2ccccc2o1 14607839 UGKVBVZSSQEOAB-UHFFFAOYSA-N 295.273 3.525 0 40 CHAB O=C(c1cccs1)N1CCC[C@@H]1c1cccs1 15835758 OECIWNBYJCPNDG-SNVBAGLBSA-N 263.387 3.787 0 40 CHAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCC1 16445183 KQAZTNHQUIYOSH-HNNXBMFYSA-N 294.398 3.776 0 40 CHAB Cc1cccc(NC(=O)Nc2cccc3c2NCCC3)c1 19275386 UVKFWCIBBRSIID-UHFFFAOYSA-N 281.359 3.997 0 40 CHAB in-vitro O=C(NC1CCCC1)c1cc(-n2cccc2)ccc1Cl 20744712 GTXOQGHRFHQEBG-UHFFFAOYSA-N 288.778 3.803 0 40 CHAB COc1ccc([C@@H](NC(=O)c2ccc(C)cc2)C2CC2)cc1 26947133 BQRWPXGNTSEPHB-SFHVURJKSA-N 295.382 3.885 0 40 CHAB CC(C)CN(CC(=O)Nc1cccc(Cl)c1)C(C)C 32810008 BZSQQNMBIITYRE-UHFFFAOYSA-N 282.815 3.645 0 40 CHAB Cc1cc(C)cc(Oc2cc(CNC(=O)C(C)C)ccn2)c1 36395978 OHFHRNWTJCPTAX-UHFFFAOYSA-N 298.386 3.763 0 40 CHAB Cc1ccc(Sc2ccc(Cl)nn2)c(C)c1 37022326 BRPPJVPPBQQBPG-UHFFFAOYSA-N 250.754 3.898 0 40 CHAB CC(C)(C)n1cc(C=O)c(-c2ccccc2Cl)n1 37311360 CGYQAGZVCZURMO-UHFFFAOYSA-N 262.740 3.771 0 40 CHAB in-vitro Cc1cc(Cl)nc(NCc2ccc(Cl)cc2)n1 38478058 KCZXYUKTPPOPII-UHFFFAOYSA-N 268.147 3.704 0 40 CHAB Cc1cccc(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1 40059687 QGXMIBMEERFVMV-PBHICJAKSA-N 297.398 3.960 0 40 CHAB Cc1cc(C)cc(NCc2nc(-c3ccccc3)no2)c1 46170491 BRLJPGGNNIKYML-UHFFFAOYSA-N 279.343 3.966 0 40 CHAB Cc1ccccc1-c1nnc(SC[C@@H]2CCCCO2)o1 57652477 LCWUGDJXKVSQFV-LBPRGKRZSA-N 290.388 3.706 0 40 CHAB Cc1ncc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)s1 71186092 JWBHSYMCUBIFQC-MRVPVSSYSA-N 296.342 3.563 0 40 CHAB Cc1cc(SC2CCCCC2)ncc1C(=O)O 72223831 XEZZOZXKKLDYAA-UHFFFAOYSA-N 251.351 3.513 0 40 CHAB FC(F)(F)c1cc(Cl)ccc1OC[C@@H]1CCCO1 72233600 VAVZHVQREZLGPJ-VIFPVBQESA-N 280.673 3.917 0 40 CHAB CC(=O)N1CCC[C@@H](c2cccc(-c3ccccc3C)n2)C1 72357541 ZIAPAXZDHHSMRT-MRXNPFEDSA-N 294.398 3.783 0 40 CHAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCCC2)cc1 76938604 WQZSOVMETKYZIF-CVEARBPZSA-N 257.377 3.536 0 40 CHAB C[C@@H](Nc1cccc2c1OCCO2)c1cc(F)ccc1F 79913423 CWKIPBWJOLKQRE-SNVBAGLBSA-N 291.297 3.909 0 40 CHAB O=C(O)C1(Cc2ccc(C(F)(F)F)cc2)CCC1 87411203 FILVJTNAQQRRGU-UHFFFAOYSA-N 258.239 3.503 0 40 CHAB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(C)cc1 95116831 BNUFNGZKMRGDQM-OAHLLOKOSA-N 282.343 3.676 0 40 CHAB Cc1noc(C)c1CN1CCCCC[C@@H]1c1ccncc1 95350324 DKEAZMKTKRORNR-QGZVFWFLSA-N 285.391 3.804 0 40 CHAB C[C@H](c1ccccc1)N(C)C(=O)CC[C@H](N)c1ccccc1 95947919 JXJUDOWNFXSLKZ-QAPCUYQASA-N 296.414 3.686 0 40 CHAB O=C(NC1CCCCC1)c1ccc(-c2ccco2)o1 96183681 ILRKFYIQORZPLE-UHFFFAOYSA-N 259.305 3.602 0 40 CHAB CCOC(C)(C)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225648488 ZWAJQZLREPKCSK-UHFFFAOYSA-N 293.407 3.844 0 40 CHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccccc3N)o2)C1 226301194 VTLHLURBDRQTAF-CHWSQXEVSA-N 298.386 3.647 0 40 CHAB CO[C@@H]1c2c(ccc3ccccc23)O[C@H]2OCCC[C@@H]12 257322480 WGDPJTPEPIYHHK-RRQGHBQHSA-N 270.328 3.672 0 40 CHAB CC(C)(C)C(=O)Nc1ccccc1Cc1nc(C2CC2)no1 575604357 XHHXPOCMMBTGTR-UHFFFAOYSA-N 299.374 3.522 0 40 CHAB CC(=O)c1cc(F)c(Br)cc1OC(C)C 953000394 VERPDANPEVIGBS-UHFFFAOYSA-N 275.117 3.578 0 40 CHAB CN(C)c1ccc(C(=O)c2cc3ccccc3o2)cc1 290437 PDAPXYABJKXVEB-UHFFFAOYSA-N 265.312 3.730 0 40 CHAB COc1ccc(C(=O)c2cc3ccccc3cc2O)cc1 345843 RXOGDVWJMKKIQC-UHFFFAOYSA-N 278.307 3.785 0 40 CHAB CCC(C)(C)C1CCC2(CC1)NC(=S)N(C(C)(C)C)N2 382323 VHDUHRPUHKRIFJ-UHFFFAOYSA-N 297.512 3.802 0 40 CHAB CCc1ccccc1NC(=O)c1noc2c1CCCCC2 426557 RTSVOPGCLIXFHX-UHFFFAOYSA-N 284.359 3.758 0 40 CHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2ncnn12 1401876 UIVGPGSWACZQDC-LBPRGKRZSA-N 296.374 3.562 0 40 CHAB O=C(NC1CCCCC1)c1cc2ccccc2cc1O 1670127 XMCXTRGQLIANRN-UHFFFAOYSA-N 269.344 3.608 0 40 CHAB Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O 2650141 CLQRMTMJJUSGRK-UHFFFAOYSA-N 277.323 3.837 0 40 CHAB CCNC(=O)c1cc(-c2ccccc2C)nc2ccccc12 2737612 YJSSVXOWEWDMPR-UHFFFAOYSA-N 290.366 3.960 0 40 CHAB CN(C)c1ccc(C(=S)NCCCc2ccccc2)cc1 4624316 UICYWZUEAZJQLI-UHFFFAOYSA-N 298.455 3.651 0 40 CHAB COc1ccc(NC(C)=O)cc1N[C@H](C)c1ccccc1 5090450 PWHSSFFRZDCMQP-GFCCVEGCSA-N 284.359 3.827 0 40 CHAB Cc1ccc2nc(-c3cc(Cl)ccc3O)[nH]c2c1 5387308 VUMGRWODFARPIW-UHFFFAOYSA-N 258.708 3.897 0 40 CHAB O=C(NCCc1ccc(Cl)cc1)c1cccc(Cl)c1 5443318 KZJQOPNIEXAZJI-UHFFFAOYSA-N 294.181 3.966 0 40 CHAB COc1ccc(Cl)cc1C(=O)Nc1cc(F)ccc1F 5676615 CCKGCPZAHRRLDX-UHFFFAOYSA-N 297.688 3.879 0 40 CHAB CC[C@H](C)NC(=O)Nc1ccccc1C(F)(F)F 6002754 VBUQYOXMFHATDA-QMMMGPOBSA-N 260.259 3.625 0 40 CHAB Cc1ccc(Cl)cc1NC(=O)Cc1ccccc1F 6328568 HSLHQKVRNHFVKU-UHFFFAOYSA-N 277.726 3.969 0 40 CHAB CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 8714221 WWGIBUOCPUZTGM-RYUDHWBXSA-N 283.799 3.721 0 40 CHAB CCCCCC[C@@]1(CC)NC(=S)N(CCC(C)C)N1 9189213 AOMHCQDBAYRZEO-HNNXBMFYSA-N 285.501 3.804 0 40 CHAB CN(Cc1c(F)cccc1Cl)C(=O)Nc1cccnc1 9314478 MLUBFDJPOQQJOA-UHFFFAOYSA-N 293.729 3.538 0 40 CHAB CCOc1ccccc1OCCC(=O)Nc1ccccc1C 9909882 DMKIJPICWMFQCX-UHFFFAOYSA-N 299.370 3.801 0 40 CHAB C[C@H]1CCCN(c2nc(Cl)nc3ccccc23)C1 11756899 UPVJPSBYONIURD-JTQLQIEISA-N 261.756 3.520 0 40 CHAB Cc1cccc(-c2c(N)sc3ccccc3c2=O)c1 11765028 HVLTXPPFCVCIJD-UHFFFAOYSA-N 267.353 3.819 0 40 CHAB CC(C)C(=O)Oc1ccc(/C=C/c2ccccn2)cc1 11858790 DQQUZWZKNJSJSJ-RMKNXTFCSA-N 267.328 3.813 0 40 CHAB CC[C@@H](NC(=O)Cc1cccc(OC)c1)c1ccc(C)cc1 12764937 LDKMJQOVLMFKIH-GOSISDBHSA-N 297.398 3.814 0 40 CHAB COc1ccccc1NCc1nc2ccccc2nc1C 16265279 BXQNXKYMLUTYPM-UHFFFAOYSA-N 279.343 3.559 0 40 CHAB Cc1ccc(C)c(CSc2nnnn2-c2ccccc2)c1 16285077 JZNBFCSGZOMLIM-UHFFFAOYSA-N 296.399 3.571 0 40 CHAB O=C1Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2C1=O 16946312 NTEXGTQIHHUJCB-UHFFFAOYSA-N 291.228 3.507 0 40 CHAB C/C=C\C(=O)OCCOc1ccccc1-c1ccccc1 17158572 LBDYYGHVQOSRAT-WAPJZHGLSA-N 282.339 3.852 0 40 CHAB Cc1cc(C)cc(Nc2nc(C)c(C(=O)O)s2)c1 20156532 DQRATIXETHURSB-UHFFFAOYSA-N 262.334 3.510 0 40 CHAB Cc1ccc(F)cc1NC(=O)c1ccc(C(F)(F)F)nc1 24865968 XPPTTYZMCAZUDO-UHFFFAOYSA-N 298.239 3.800 0 40 CHAB C[C@H](c1ccccc1)N(C)C(=O)c1cc(Cl)c[nH]1 25615320 YTAVSSMBBFJZHY-SNVBAGLBSA-N 262.740 3.501 0 40 CHAB Cc1sc(-c2ccco2)nc1C(=O)N1CCCC[C@@H]1C 32772279 IZVXMAYCVWZSBV-JTQLQIEISA-N 290.388 3.726 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)o1 33230216 CDDUNMSSHQRFFL-LLVKDONJSA-N 268.316 3.560 0 40 CHAB CCOC(=O)c1ccc(Nc2cccc(C)c2C)c(N)c1 41082112 VNHDCRNHAPHECX-UHFFFAOYSA-N 284.359 3.806 0 40 CHAB CCOC(=O)CCCCC(=O)c1ccc(Cl)cc1F 43214371 BIPWTTDVCADHBS-UHFFFAOYSA-N 286.730 3.785 0 40 CHAB CCCCC(=O)Nc1c(C)cc2nc(N)sc2c1C 45888297 TYFQANCKFWSCMF-UHFFFAOYSA-N 277.393 3.624 0 40 CHAB Cc1ccc(C)c([C@@H](C)NC(=O)NC2CCCCC2)c1 48487212 JNFNPYJRAGOEPN-CQSZACIVSA-N 274.408 3.996 0 40 CHAB COc1ccc(C2=NC3(CCCCCC3)N=C2S)cc1 67172582 JZGXMEKQURYHFK-UHFFFAOYSA-N 288.416 3.877 0 40 CHAB Cc1nnc([C@H](C)N(C)CCc2cccc3ccccc23)o1 69530171 YUTWDOUGASXJMD-ZDUSSCGKSA-N 295.386 3.767 0 40 CHAB CC[C@@H](O)c1ccc(SCc2ccccc2)nc1 72225411 MJRHEJAVHYDECY-CQSZACIVSA-N 259.374 3.817 0 40 CHAB CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)CCSC)c1 77441842 DSGFKBQUPXAGCH-RYUDHWBXSA-N 296.436 3.657 0 40 CHAB CC[C@H](C)[C@@H](C)NCc1nc(-c2cccc(C)c2)no1 95462640 NPYGPEOXFQQELY-QWHCGFSZSA-N 273.380 3.569 0 40 CHAB CSCC[C@H](C)NC(=O)c1ccccc1C(F)(F)F 96412314 FNHSLMORBNPDJQ-VIFPVBQESA-N 291.338 3.577 0 40 CHAB O=c1[nH]c(CSCc2ccco2)cc2ccccc12 97163217 LYBVZQATEBGDGI-UHFFFAOYSA-N 271.341 3.555 0 40 CHAB CC(C)Cn1cnc2sc3c(c2c1=N)CCCCC3 100685423 AXZUWJAGTRWEKX-UHFFFAOYSA-N 275.421 3.502 0 40 CHAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc1C 101988533 YLMYQOXLBCWUBR-ZRJCITRHSA-N 277.433 3.919 0 40 CHAB CSc1ccc(-c2nc(-c3ccncc3)no2)cc1 113740393 JTEDLWGXXGJWIX-UHFFFAOYSA-N 269.329 3.521 0 40 CHAB CCCCc1ccc(C[C@@H](C(=O)O)N2CCCCC2)cc1 225149883 KOZVBPXYLVMWKG-KRWDZBQOSA-N 289.419 3.511 0 40 CHAB CC[C@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1 225271801 ULFMDIHWHJCMER-QMMMGPOBSA-N 276.327 3.790 0 40 CHAB C[C@H]1C[C@@H](C)O[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cn1 332180347 YQRLXUZCUIGCLE-AHIWAGSCSA-N 296.370 3.501 0 40 CHAB Oc1cccc2c(C(F)(F)F)cc(N3CCCC3)nc12 685938639 XWPGODGTODSXRG-UHFFFAOYSA-N 282.265 3.559 0 40 CHAB CC(C)CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 363818 GJTWAUNPAYNRBL-UHFFFAOYSA-N 262.136 3.684 0 40 CHAB CC(C)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 568066 SKTVUEKHDROURR-UHFFFAOYSA-N 294.807 3.982 0 40 CHAB COc1c(C)cccc1C(=O)NC1C2CC3CC(C2)CC1C3 568778 CFHXMPKRUXCIHQ-UHFFFAOYSA-N 299.414 3.558 0 40 CHAB Fc1ccc(CSc2nnc(-c3cccnc3)o2)cc1 905513 FGPXIWLAQJRWJR-UHFFFAOYSA-N 287.319 3.563 0 40 CHAB CC(C)(C)C(=O)Nc1nc(COc2ccccc2)cs1 1447108 RUFVSSNCWMGRHQ-UHFFFAOYSA-N 290.388 3.707 0 40 CHAB CCCC(=O)OCCOc1ccc(C(C)(C)C)cc1 1596172 PTYQQMNKAWLEFI-UHFFFAOYSA-N 264.365 3.706 0 40 CHAB CCC1=C(c2ccc(OC)cc2)CC[C@@H](C(=O)O)[C@@H]1C 1843256 VJKVHUZOVAWKEB-IAQYHMDHSA-N 274.360 3.990 0 40 CHAB biogenic,in-vitro CCc1sc(C(=O)NCc2ccccc2OC)cc1C 3327730 KARSBGQEXLTCGN-UHFFFAOYSA-N 289.400 3.558 0 40 CHAB COc1cccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)c1 3482744 PHJCCRYTLLWPRH-CSKARUKUSA-N 281.355 3.964 0 40 CHAB CCC(CC)NC(=O)CSc1nc2ccccc2s1 3503884 CCDSPOWYMSJSMB-UHFFFAOYSA-N 294.445 3.693 0 40 CHAB COc1ccc2c(c1)[C@]1(C)CCC[C@@](C)(CO)[C@H]1CC2 3947544 HMPJUDGZKICNFY-SQNIBIBYSA-N 274.404 3.698 0 40 CHAB CC(C)(CO)[C@@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@@H]21 4025302 UUJKDBXPGVPHKQ-OLMNGRFOSA-N 264.409 3.545 0 40 CHAB CC[C@@H]1C[C@@H]2CCN1[C@H]([C@H](O)c1ccnc3ccccc13)C2 4115596 YGSPYMMGHMAUNZ-QABNGEJJSA-N 296.414 3.531 0 40 CHAB N=C1c2ccccc2CN1c1ccccc1Br 4116975 NLKAKCOMMNKCMO-UHFFFAOYSA-N 287.160 3.795 0 40 CHAB CCCC[C@H](CC)C(=O)Nc1ccc(NC(C)=O)cc1 4438376 OKGRXYKHNFHOLP-ZDUSSCGKSA-N 276.380 3.800 0 40 CHAB Cc1ccc(NC(=O)c2cc(Cl)ccn2)c(C)c1 5269304 HMOGFNMTLFXXCM-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CCCc1cc(=O)[nH]c(Nc2cc(Cl)cc(Cl)c2)n1 5625373 UIEBZBCRCOPPCL-UHFFFAOYSA-N 298.173 3.773 0 40 CHAB CCOc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 5673797 MESAEKYXNTXLDH-UHFFFAOYSA-N 299.414 3.784 0 40 CHAB CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(O)cc2)cc1 6692886 KSBBNJZVDXSJKO-UHFFFAOYSA-N 298.338 3.575 0 40 CHAB in-vitro COC(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 9135049 VBGARTSSMJULCC-UHFFFAOYSA-N 298.298 3.531 0 40 CHAB O=C(NC1CCCC1)c1cc2c(F)cccc2s1 9219391 CSLDBWQIIXQUBB-UHFFFAOYSA-N 263.337 3.713 0 40 CHAB CC(C)CCNC(=O)CCCc1c[nH]c2ccccc12 12896186 PTRDJKOEDRNROD-UHFFFAOYSA-N 272.392 3.653 0 40 CHAB biogenic CCCCCCNC(=S)Nc1ccc(C)cc1 13819011 JZGDDQUXHSWFCK-UHFFFAOYSA-N 250.411 3.862 0 40 CHAB O=C(Cn1ccc2ccccc21)N1CCCc2ccccc21 14136271 UUEGSJPOWQLVCE-UHFFFAOYSA-N 290.366 3.621 0 40 CHAB CC1=Nc2ccccc2NC(N)=C1c1cccs1 15423876 ZBQOITPWQSXYJC-UHFFFAOYSA-N 255.346 3.594 0 40 CHAB Fc1cccc(/C=C\c2cnnc3ccccc23)c1 17324625 PMFCZNLXGDLNPN-HJWRWDBZSA-N 250.276 3.939 0 40 CHAB CCCCCCNC(=S)N1[C@@H](C)CCC[C@H]1C 18102022 IKRWSBXPDGJIMJ-BETUJISGSA-N 256.459 3.704 0 40 CHAB O=C(Nc1ccc2c(c1)CCC2)c1cc(Cl)ccc1O 21049878 RYTRWMJNBQNVLD-UHFFFAOYSA-N 287.746 3.787 0 40 CHAB c1ccc(CNC[C@@H](c2ccccc2)N2CCCC2)cc1 21519376 ZEFJPCVKTSXIAY-IBGZPJMESA-N 280.415 3.613 0 40 CHAB Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c(F)cccc12 23191999 OLQLQWWWFZGPSJ-JTQLQIEISA-N 275.323 3.895 0 40 CHAB C[C@H](NC(=O)C1CC1)c1ccc(Cl)c(Cl)c1 23976003 WABZUPKWSXVFII-ZETCQYMHSA-N 258.148 3.581 0 40 CHAB c1ccc2nc(NCCc3c[nH]c4ccccc34)cnc2c1 26134841 FHAWPODNBSWVLN-UHFFFAOYSA-N 288.354 3.766 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](N)CC[C@@]43C)[C@@H]1CC[C@@H]2O 34329021 WMEBIWWUBWHAOJ-KHOSGYARSA-N 291.479 3.717 0 40 CHAB C[C@@H]1c2cc(Cl)ccc2O[C@H]2c3ccccc3C(=O)N21 35324746 BTRYEPPEYIAAAB-ABKXIKBNSA-N 285.730 3.948 0 40 CHAB FC(F)(F)Oc1ccc2c(Br)ccnc2c1 36075559 MZBIEUGZSAYZOM-UHFFFAOYSA-N 292.054 3.896 0 40 CHAB CCOc1ccc2nc(NCc3ccncc3)sc2c1 36657598 DGNFHEDWULDGKK-UHFFFAOYSA-N 285.372 3.702 0 40 CHAB Cc1ccc(C(=O)NCCSC2CCCC2)cc1F 40082611 ZPSWYXWWBAKHJG-UHFFFAOYSA-N 281.396 3.540 0 40 CHAB COc1ccc(C)cc1NC(=O)N[C@@H](C)c1ccc(C)o1 40097966 AXIJJDFVZJTKNO-LBPRGKRZSA-N 288.347 3.788 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)NC1CCC(O)CC1 40526086 KCGDRVHOPSIGHB-UHFFFAOYSA-N 290.407 3.543 0 40 CHAB CC(C)c1ccc(OC[C@@H]2CCCNC2)c(Cl)c1 42775018 OYYOHHSTEVIPHI-GFCCVEGCSA-N 267.800 3.842 0 40 CHAB C[C@H](Cc1ccco1)NC(=O)Nc1ccccc1Cl 44444264 HYYFYWSVODXGHT-SNVBAGLBSA-N 278.739 3.686 0 40 CHAB O=C(CCc1ccccc1F)NCCCc1ccccc1 47220845 JYWAFEKHTQZJJT-UHFFFAOYSA-N 285.362 3.507 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1-n1cccn1 48152358 BLLBGXZTFZPATB-KBPBESRZSA-N 298.390 3.573 0 40 CHAB CCN(CC)Cc1ccc(CNC(=O)CCC(C)C)cc1 48342361 CJJNQRZWVOBMHY-UHFFFAOYSA-N 290.451 3.581 0 40 CHAB O=C(Cc1ccccc1Cl)NCCCc1ccccc1 49909627 RNSXQIIBYFEOBP-UHFFFAOYSA-N 287.790 3.632 0 40 CHAB CCOc1ccc(SCc2c(C)noc2C)cc1 57899493 PMGZBZNQQPQHHR-UHFFFAOYSA-N 263.362 3.982 0 40 CHAB CC[C@@H](C)NCc1ccc(O[C@H](C)CC)c(OC)c1 66116160 FYSYRBSXBBTMKZ-CHWSQXEVSA-N 265.397 3.761 0 40 CHAB CN(C)c1ccc(C(=O)N(C)C2CCCCCC2)cc1F 67707840 HKSFWYFRLKUXPK-UHFFFAOYSA-N 292.398 3.687 0 40 CHAB CCOC(=O)c1c(-n2cccc2)sc2c1CCCCC2 70451592 TUNVDFMDTSLXOK-UHFFFAOYSA-N 289.400 3.984 0 40 CHAB O=C(O)c1cc2ccc(OCCc3ccccc3)cc2o1 72219724 RYUDXWXKQPNFED-UHFFFAOYSA-N 282.295 3.753 0 40 CHAB CCSCC[C@@H](C)N(C)Cc1cccc(N(C)C)c1 72305335 RGOAQAJNGJEHEO-CQSZACIVSA-N 280.481 3.716 0 40 CHAB Cc1ccc(C)c(-c2noc(-c3ccccc3C(=O)O)n2)c1 89262297 LRMFMHYPRVCWGP-UHFFFAOYSA-N 294.310 3.719 0 40 CHAB Clc1ccccc1OCc1cc(Br)no1 95098304 PWJBHXFDZICVAW-UHFFFAOYSA-N 288.528 3.670 0 40 CHAB OC1=N[C@H](c2cc3ccccc3s2)N2CCCC[C@@H]12 95412096 MJEQZMDYVWFTAV-FZMZJTMJSA-N 272.373 3.725 0 40 CHAB Fc1ccc2c(c1)C1(CCN(Cc3ccccc3)CC1)CN2 95631330 KJLQHGCZOLCTGK-UHFFFAOYSA-N 296.389 3.785 0 40 CHAB in-vitro CC(C)(CC(=O)O)CC(=O)c1cc(F)cc(Cl)c1 95634029 GPTNWBIOAPKXOL-UHFFFAOYSA-N 272.703 3.553 0 40 CHAB CCc1cnc(CCN[C@@H](C)Cc2ccsc2)s1 95968694 NXQWWBMOUAFEIX-NSHDSACASA-N 280.462 3.530 0 40 CHAB CCOC(=O)[C@H](C)CCCCCCCCCC(=O)O 105431920 IAOODJHDNAARCY-CYBMUJFWSA-N 272.385 3.781 0 40 CHAB OCC1(c2cccc(Br)c2)CCCCC1 211529218 ZQTDQFRYPNCETI-UHFFFAOYSA-N 269.182 3.643 0 40 CHAB COc1cccc(-c2nc3cc(OC)cc(Cl)c3[nH]2)c1 216916875 OVNLWMCWPLDELQ-UHFFFAOYSA-N 288.734 3.901 0 40 CHAB CCC[C@H](C(=O)O)N1c2ccccc2C(C)=CC1(C)C 223214972 CKNITFJCCZBPPH-OAHLLOKOSA-N 273.376 3.942 0 40 CHAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccco1 225346761 PWPROGHYVDZUDC-UHFFFAOYSA-N 298.169 3.835 0 40 CHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(Cl)c1 225621091 SYHVAEMDADPXHO-HNNXBMFYSA-N 299.798 3.882 0 40 CHAB CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1C 225854928 HFKSHXLRUPMOCZ-CQSZACIVSA-N 295.382 3.985 0 40 CHAB COc1cc(C(=O)C(C)(C)CCl)ccc1Cl 382693429 JPPGFTIBCXRXLX-UHFFFAOYSA-N 261.148 3.796 0 40 CHAB C[C@H]1CC[C@@H]1COc1ccc(C=O)cc1Br 575410959 QKIIEJQMLQHMFC-GXSJLCMTSA-N 283.165 3.687 0 40 CHAB Cc1nc(NC(=O)OC(C)(C)C)c(Br)s1 1772715016 MRNFEPGRRKTIDB-UHFFFAOYSA-N 293.186 3.561 0 40 CHAB OCc1ccc(-c2ccccc2C(F)(F)F)cc1 1259811 CNLMXDSYZPZVJJ-UHFFFAOYSA-N 252.235 3.865 0 40 CHAB O=C(O)CCCCCC(=O)c1ccc(Br)cc1 2567376 UXMPDMUBLXIWNG-UHFFFAOYSA-N 299.164 3.667 0 40 CHAB COc1ccccc1C(=O)N[C@H](C)c1ccc(Cl)cc1 7644674 PWNLEQNCJTXFCH-LLVKDONJSA-N 289.762 3.840 0 40 CHAB CC[C@@H](NC(=O)COc1ccccc1C)c1ccc(C)cc1 7792546 XUXPGRAFBWGXQR-QGZVFWFLSA-N 297.398 3.950 0 40 CHAB O=C(CCc1ccccc1F)N[C@H]1CCCc2ccccc21 8269073 VKAJSIIGXIBXLE-SFHVURJKSA-N 297.373 3.952 0 40 CHAB O[C@H](c1cccc(OCc2ccccc2)c1)c1ccccn1 8627707 RYRJYARHWZNVPK-LJQANCHMSA-N 291.350 3.742 0 40 CHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CC(C)C 44685447 IEAPBHXOTLXGMX-CYBMUJFWSA-N 263.381 3.764 0 40 CHAB Cc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)no1 27582417 FYKIUFRKQUZUFP-UHFFFAOYSA-N 297.314 3.507 0 40 CHAB Fc1ccc(-c2[nH]c(=S)[nH]c2-c2cccnc2)cc1 59695936 IDCLOQOIEWAGOJ-UHFFFAOYSA-N 271.320 3.940 0 40 CHAB Cc1ccc(C(=O)c2c[nH]c3ccc(F)cc23)cc1 104415729 KEPHAFWDFPUNRF-UHFFFAOYSA-N 253.276 3.846 0 40 CHAB Cc1ccc(C)c(CC(=O)NCc2ccccc2Cl)c1 20482712 NQTBOWPRGRGOQI-UHFFFAOYSA-N 287.790 3.816 0 40 CHAB CCCCn1c([C@@H](C)O)nc2cc(Cl)ccc21 64874408 FKFGGFGXHAIIAO-SECBINFHSA-N 252.745 3.543 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)N(C)C1CCCC1 20483978 PQEYDYVUEDCQSM-HNNXBMFYSA-N 275.392 3.553 0 40 CHAB Cc1ccccc1NC(=O)c1ccc(O)c(Cl)c1 12886440 WAIRFPCNDIAGME-UHFFFAOYSA-N 261.708 3.606 0 40 CHAB C[C@H](c1ccccc1)N(C)Cc1nc(-c2ccco2)no1 13010422 BBTJWDVMPKVLOD-GFCCVEGCSA-N 283.331 3.523 0 40 CHAB COc1ccc2nc(NC(=O)c3ccsc3)sc2c1 9364495 COGFKMVLWOTXFB-UHFFFAOYSA-N 290.369 3.619 0 40 CHAB CCOc1ccccc1NC(=O)C1C(C)(C)C1(C)C 96316017 LIFVNSXQUFXJFL-UHFFFAOYSA-N 261.365 3.706 0 40 CHAB Cc1ccc2c(c1)CCCN2C(=O)c1ccnc(Cl)c1 19813764 RDEVWBABKOSCPR-UHFFFAOYSA-N 286.762 3.636 0 40 CHAB c1cc2c(s1)[C@@H]1CCCC[C@H]1O[C@@]21CN2CCC1CC2 15024434 YOTNJKHOKZAJDD-FRFSOERESA-N 289.444 3.725 0 40 CHAB COc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3 9533100 RWNPHWPFCNBHQZ-UHFFFAOYSA-N 285.387 3.706 0 40 CHAB OC1(CCN(Cc2ccccc2)Cc2ccccc2)CC1 115324632 VXKDQBUZSZGESV-UHFFFAOYSA-N 281.399 3.604 0 40 CHAB Cc1ccn2cc(C(=O)Nc3ccccc3Cl)nc2c1 8280778 LQQXEUOQGTZFDY-UHFFFAOYSA-N 285.734 3.548 0 40 CHAB Cc1nc(Cl)cc(N[C@@H]2C[C@@H]2c2cccc(F)c2F)n1 72302134 FEBJQVFOQIYSSB-MWLCHTKSSA-N 295.720 3.685 0 40 CHAB CCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 43401657 BVHNCNRYDIZCLM-TZMCWYRMSA-N 260.381 3.949 0 40 CHAB O=CN1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 72217229 PDPKBANZJIWUNW-OAHLLOKOSA-N 290.432 3.800 0 40 CHAB Cc1ccc(-n2nnnc2Nc2ccc(Cl)cc2)cc1C 75329761 DBEOXFOMOSTHCY-UHFFFAOYSA-N 299.765 3.676 0 40 CHAB O=C(O)CCCCCc1ccc(Br)cc1 35323995 KGOQTHODMLGCMH-UHFFFAOYSA-N 271.154 3.637 0 40 CHAB N[C@@H](CC(=O)O)c1cccc(Oc2ccc(Cl)cc2)c1 38441639 OXBZNIRABQKQTO-AWEZNQCLSA-N 291.734 3.607 0 40 CHAB Cc1nnc(-c2ccccc2)c2cn(-c3ccccc3)nc12 36650917 OXQSNKFDSJSENU-UHFFFAOYSA-N 286.338 3.791 0 40 CHAB O=C(CC1CCCC1)N1CCC(c2ccc(O)cc2)CC1 32892961 VDCDEKDPTHBDKL-UHFFFAOYSA-N 287.403 3.679 0 40 CHAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCN1C(C)C 72218919 COUDHZRZDCYUGA-INIZCTEOSA-N 273.424 3.536 0 40 CHAB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)(C)C(=O)O 223204705 IAACUFUBVCJTQL-GFCCVEGCSA-N 275.392 3.950 0 40 CHAB CCOC(=O)CCCC(=O)c1c(C)cc(C)cc1C 43214441 BMYKXQXJYJJPKR-UHFFFAOYSA-N 262.349 3.528 0 40 CHAB CCO[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140207 WINKYTRXUCPZKX-INIZCTEOSA-N 286.327 3.511 0 40 CHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)c(C)c1 225731493 GUFBMAWUDLQTLE-KRWDZBQOSA-N 293.407 3.928 0 40 CHAB O=C(c1ccoc1)N1CCC(=Cc2ccccc2)CC1 84525640 DPKIBGLNEDNXKM-UHFFFAOYSA-N 267.328 3.599 0 40 CHAB CC(=O)Nc1cc(NC2CCCCC2)c(N)cc1Cl 45891677 XRJOCKVWKFFXKE-UHFFFAOYSA-N 281.787 3.625 0 40 CHAB CCCOCc1ccccc1CNc1cncc(Cl)n1 64914666 XELYKGXDCSZDAR-UHFFFAOYSA-N 291.782 3.669 0 40 CHAB O=C(O)Cc1cccc(Nc2c(Cl)cccc2Cl)n1 256051021 HKAQAKMEXBHZJO-UHFFFAOYSA-N 297.141 3.759 0 40 CHAB CC(C)(C)Oc1c(F)cc(F)cc1Br 95915371 UFGOQTCHBFRIST-UHFFFAOYSA-N 265.097 3.905 0 40 CHAB CC[C@H](NCc1nnc(C)s1)c1cccc(Cl)c1 96490950 KDTBVGRAEIWRRG-LBPRGKRZSA-N 281.812 3.741 0 40 CHAB C[C@@]12CCC[C@@H]1[C@@H]1CC[C@H]3CNC(=O)C[C@]3(C)[C@@H]1CC2 5275688 BPIRFNVICIHJMC-ZUHXYLFWSA-N 275.436 3.755 0 40 CHAB C[C@@H](CC(=O)O)CC(=O)c1cc(Cl)cc(Cl)c1 15441744 FZLJPGFAMGSLCW-SSDOTTSWSA-N 275.131 3.677 0 40 CHAB Cc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1 16311306 XXRXEPWPJMIKDH-UHFFFAOYSA-N 279.343 3.778 0 40 CHAB CCc1cc(N)cc(Cl)c1N1C[C@@H](C)C[C@@H](C)C1 226315467 TWTYWZOHPUHQNL-PHIMTYICSA-N 266.816 3.967 0 40 CHAB CC(=O)Nc1ccccc1/C=C/c1ccccc1NC(C)=O 3844897 RDMZSJZTXVYOQQ-VAWYXSNFSA-N 294.354 3.774 0 40 CHAB CCOC(=O)CCCC(=O)c1cccc(C)c1Cl 575361582 TWRDXSDCSJGDOO-UHFFFAOYSA-N 268.740 3.565 0 40 CHAB CCCCC(=O)Nc1ccccc1SCCCC(=O)O 8732836 IHFFPLXGWMMQOP-UHFFFAOYSA-N 295.404 3.772 0 40 CHAB Cc1cc(C(=O)O)ccc1OCc1cccc(Cl)c1 87093491 FUQHGPURANMGKN-UHFFFAOYSA-N 276.719 3.926 0 40 CHAB CCc1ccc(NC(=O)CN(CC(C)C)C(C)C)cc1 40091283 NFKUPPZTQKHNOP-UHFFFAOYSA-N 276.424 3.554 0 40 CHAB CC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 40095210 ANZSWNYRRTUOSS-UHFFFAOYSA-N 297.196 3.713 0 40 CHAB COc1ccc(/C=C/C(=O)NC(C(C)C)C(C)C)cc1 267810 NKRSJPHLOLDLKM-DHZHZOJOSA-N 275.392 3.505 0 40 CHAB O=C(O)C1(Cc2cccc(Cl)c2)CCCCC1 41322731 KSNNZQWIDBEZMO-UHFFFAOYSA-N 252.741 3.918 0 40 CHAB in-vitro O=C(Oc1cccc2cccnc12)c1cccnc1Cl 165812 FTXWXQWGNMXIEN-UHFFFAOYSA-N 284.702 3.502 0 40 CHAB Cc1cccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)c1 190718 IWRNNCWDOYZRTJ-MKILNOHCSA-N 289.334 3.896 0 40 CHAB CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1 383799 IEXQEAINZICSPH-UHFFFAOYSA-N 298.338 3.932 0 40 CHAB C[C@@H]1O[C@@](C)(c2ccc(Cl)cc2)OCC1(C)C 1689339 VHDIAVQIUIBCRU-HZMBPMFUSA-N 254.757 3.974 0 40 CHAB CCCCNC(=O)CCSc1ccc(Cl)cc1 2093705 KRRRMHGYYRCWAB-UHFFFAOYSA-N 271.813 3.739 0 40 CHAB COc1cccc(C(=O)CCc2cccc(C)c2)c1 2516415 ZVGBSZXTEDBACJ-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB CCCCCCNC(=O)c1ccccc1Br 3160638 IPMUKUSNHMTNKR-UHFFFAOYSA-N 284.197 3.759 0 40 CHAB CCCO[P@](C)(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4026611 IRSGFXOKDNHIQR-KSMMKXTCSA-N 289.356 3.517 0 40 CHAB biogenic Fc1ccc(CSc2ccc(-c3ccncc3)nn2)cc1 4358018 KVFYLPAJZPCBPY-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB Cc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)C[C@@H](C)C3)c2c1 5562913 HNRFCWZHAGGJBO-OKILXGFUSA-N 284.403 3.637 0 40 CHAB O=[P@@](O)(/C=C/c1ccccc1)Oc1ccccc1 5600266 HYLVHLXBYUJSDI-VAWYXSNFSA-N 260.229 3.922 0 40 CHAB CC(C)CCNC(=O)Nc1cccc(C(F)(F)F)c1 6262832 NBWWNKMOANYXPB-UHFFFAOYSA-N 274.286 3.873 0 40 CHAB CC(C)OCCCNC(=O)c1ccc(Cl)cc1Cl 6345558 STWBPJMVFBDKAS-UHFFFAOYSA-N 290.190 3.538 0 40 CHAB c1ccc(C2=NNC(c3cccnc3)=Nc3ccccc32)cc1 6557603 ROYSWXKCMCOXHF-UHFFFAOYSA-N 298.349 3.516 0 40 CHAB Cc1cc(C)c2nc(NC(=O)[C@H]3C[C@@H]3C)sc2c1 6627072 HAQZDAJZVPWEKE-WPRPVWTQSA-N 260.362 3.508 0 40 CHAB NC(=S)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6815720 WFDZMONRBVATLD-UHFFFAOYSA-N 286.444 3.810 0 40 CHAB Cc1ccc(C)c(CC(=O)N(C)c2ccccc2)c1 10701090 LFVHCGLXZWRWGU-UHFFFAOYSA-N 253.345 3.509 0 40 CHAB CC(=O)c1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 12918883 IGTSALQALLBOIY-UHFFFAOYSA-N 297.398 3.900 0 40 CHAB C[C@H](NC(=O)CSc1ccc2ccccc2c1)C1CC1 14183977 XLRNEYIEFLGPDT-LBPRGKRZSA-N 285.412 3.847 0 40 CHAB CCCOc1ccccc1NC(=O)c1cccc(N(C)C)c1 15998397 YBMSEQYGGXGSNY-UHFFFAOYSA-N 298.386 3.794 0 40 CHAB C=C(c1cccs1)c1ccc(N2CCOCC2)s1 16138232 KMVDCFHONGHGLD-UHFFFAOYSA-N 277.414 3.708 0 40 CHAB Cc1noc(C(C)C)c1C(=O)Nc1cc(F)cc(F)c1 16305691 YPPHFDJLWCMKGH-UHFFFAOYSA-N 280.274 3.637 0 40 CHAB Cc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(F)cc1 19957867 PGRKEHDQDLLYOH-KRWDZBQOSA-N 280.346 3.851 0 40 CHAB Nc1ccc(NC(=O)/C=C/c2ccccc2)c(Cl)c1 20345320 LORKAIVONLASBJ-RMKNXTFCSA-N 272.735 3.574 0 40 CHAB COc1ccc(Cl)cc1CNCCc1ccccc1F 22076428 ISDUIGUUCLVJJX-UHFFFAOYSA-N 293.769 3.820 0 40 CHAB COc1cc(N)ccc1NC(=O)c1cccc2ccccc12 22224134 VLOOJCJIEFJNOO-UHFFFAOYSA-N 292.338 3.683 0 40 CHAB CCc1ccc(CNC(=O)c2ccccc2SC)s1 32930306 QDWUYERISUWCPL-UHFFFAOYSA-N 291.441 3.962 0 40 CHAB C[C@H](Cc1ccccc1Cl)NC(=O)[C@H]1CC=CCC1 32930653 VUYLMWDALVFCBT-OLZOCXBDSA-N 277.795 3.744 0 40 CHAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)C2 34389106 DVMAUGGKVWJBDV-ITWBUVANSA-N 272.388 3.609 0 40 CHAB COc1cccc([C@H](O)c2cccc(Br)c2)c1 37532685 WIGBNHMSXYXOQZ-CQSZACIVSA-N 293.160 3.539 0 40 CHAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1 40023458 CZSMTMLYCSHLIO-CRAIPNDOSA-N 285.431 3.822 0 40 CHAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(F)c2)o1 40098010 GKXCXLRYIDCDHR-NSHDSACASA-N 276.311 3.918 0 40 CHAB Cc1nc(CSc2ccc3c(c2)OCCCO3)oc1C 40556313 QYJLDKIRQMANJU-UHFFFAOYSA-N 291.372 3.745 0 40 CHAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1F 41091294 SGDWULVFFZSNQK-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB C[C@]1(c2ccccc2)COC(=O)N1c1ccccc1 44563727 SUDKKTYDGGNQIP-MRXNPFEDSA-N 253.301 3.559 0 40 CHAB COc1cc(Cl)ccc1C(=O)N[C@H](C)c1ccccc1 49397749 LFVTTXMFYPUNIU-LLVKDONJSA-N 289.762 3.840 0 40 CHAB Cc1ccoc1C(=O)N1CCCCC[C@@H]1c1ccncc1 49765035 KYKMBYFUFJHTAK-OAHLLOKOSA-N 284.359 3.741 0 40 CHAB CC(C)c1noc([C@H](C)N(C)Cc2ccc(F)cc2F)n1 65591489 IFGVKORNYSYFEG-JTQLQIEISA-N 295.333 3.664 0 40 CHAB FC1(F)C(Cl)=C(Cl)[C@@](F)(Cl)C1(F)F 71790170 JMTPGSMYAMXWBK-VKHMYHEASA-N 261.404 3.864 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(N(CC)CC)nc1 72212841 AOEWPWMXPAHFFG-MRXNPFEDSA-N 275.440 3.865 0 40 CHAB CCCCNc1ccc(C(=O)NCC(C)C)c(Cl)c1 75103428 QZJGYBMBLYRVCL-UHFFFAOYSA-N 282.815 3.938 0 40 CHAB O=C(CCC(F)(F)F)Nc1cccc2cccnc12 79296422 ZKQVLFQCORRKDO-UHFFFAOYSA-N 268.238 3.516 0 40 CHAB Cc1ccc([C@@H](O)c2ccc(Cl)c(F)c2)s1 84007013 GHKGZDXTBLMJPT-LBPRGKRZSA-N 256.729 3.931 0 40 CHAB FC1(F)Oc2ccccc2O[C@H]1C1=CC=CCC1 91252125 WRYDVXMLHRMVFV-ZDUSSCGKSA-N 250.244 3.696 0 40 CHAB Cc1ccc([C@H]2C[C@@H]2c2nc(COC(C)C)no2)s1 95394424 RTHJZTRPLMPESV-QWRGUYRKSA-N 278.377 3.636 0 40 CHAB C1CCC2(CC1)C[C@H](Nc1nc(C3CC3)ns1)CCO2 95425707 VSSIQYIJAXEEKF-GFCCVEGCSA-N 293.436 3.709 0 40 CHAB Cc1ccc(Cl)c2ccc(NC(=O)C(C)C)nc12 97230891 SKSFHCRDYBZQOA-UHFFFAOYSA-N 262.740 3.791 0 40 CHAB Cc1nn(-c2ccc(F)cc2)c(O)c1CCC(C)C 100072235 PHZOQVKWLOTXTG-UHFFFAOYSA-N 262.328 3.614 0 40 CHAB O=C1[C@@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1[C@@H]2c1ccccc1 100925885 HRLRAZZTFFAGBS-OGJJZOIMSA-N 284.399 3.691 0 40 CHAB COc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223150544 GMIFDBUITAWYMX-CYBMUJFWSA-N 295.382 3.675 0 40 CHAB O=C(/C=C/c1ccccc1Cl)NCC1=CCCCC1 223377441 CWNXKYJFDOHYSA-ZHACJKMWSA-N 275.779 3.970 0 40 CHAB CCOC(=O)c1ccc(NC(=O)C(C)(C)C)cc1Cl 224589311 UPIDLUSBIYIUOI-UHFFFAOYSA-N 283.755 3.501 0 40 CHAB CCCCOc1cc(Cl)c(C(=O)O)cc1OCC 225284844 HCIYMDJWSZWNEC-UHFFFAOYSA-N 272.728 3.616 0 40 CHAB CC(C)CCNC(=S)Nc1cccc(OC(C)C)c1 225380816 IELPJFZEVWIBSS-UHFFFAOYSA-N 280.437 3.806 0 40 CHAB Cc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)nc1 225516445 OKNDZCNUYBAWOE-CQSZACIVSA-N 299.443 3.698 0 40 CHAB COc1cccc(C(=S)NCc2ccccc2Cl)c1 408575878 OTMSLVFJMMTNHB-UHFFFAOYSA-N 291.803 3.814 0 40 CHAB Cc1ccc2nc(SC(=O)c3ccccc3O)[nH]c2c1 408621804 OBOYSWMGEQFMED-UHFFFAOYSA-N 284.340 3.509 0 40 CHAB O=C(Nc1ccc(F)cc1)N1CC[C@@H](c2ccsc2)C1 670935832 YASKJDAUUTYREP-LLVKDONJSA-N 290.363 3.909 0 40 CHAB CCOC(=O)Cc1c(C)[nH]c2ccc(C(C)C)cc12 163629 BNUITOLAXDUGGD-UHFFFAOYSA-N 259.349 3.705 0 40 CHAB Cc1cccc(C)c1OCC(=O)Nc1cccc(Cl)c1 362553 VCJRPJDDVPZNDY-UHFFFAOYSA-N 289.762 3.974 0 40 CHAB Cc1ccc(OCC(=O)Nc2cccc3cccnc23)cc1 364710 OETKGCNRMQYTSE-UHFFFAOYSA-N 292.338 3.561 0 40 CHAB CC(C)CC(=O)Nc1nc2c(s1)CCc1ccccc1-2 418050 ROOMMHAQFAZCIK-UHFFFAOYSA-N 286.400 3.893 0 40 CHAB Fc1ccc(NC(=S)Nc2ccccc2)cc1F 563079 WXZMDPLDLACDOK-UHFFFAOYSA-N 264.300 3.774 0 40 CHAB S=C(NCc1ccc(Cl)cc1)Nc1ccccc1 1382697 YGAALMCOWLXYRU-UHFFFAOYSA-N 276.792 3.827 0 40 CHAB O=C(Nc1ccc2ccccc2c1)c1ccccc1O 1555555 KFLNUTIUYWTQNV-UHFFFAOYSA-N 263.296 3.798 0 40 CHAB CC(C)=CCC/C(C)=C/CN1C(=O)CC(C)=C(C)C1=O 1724851 OSYQTHNAVUUATA-UKTHLTGXSA-N 275.392 3.774 0 40 CHAB CCCCS(=O)(=O)C(c1ccccc1)c1ccccc1 1758173 VIUJAHNYSIXZOO-UHFFFAOYSA-N 288.412 3.991 0 40 CHAB CCCCCC(=O)NC(=S)Nc1c(C)cccc1C 2052111 GORPHAUKBXGLRX-UHFFFAOYSA-N 278.421 3.697 0 40 CHAB CC(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1 2388350 SIZDMAYTWUINIG-UHFFFAOYSA-N 264.284 3.558 0 40 CHAB O=C(/C=C/c1ccccc1F)Nc1ccc(F)c(F)c1 3450611 DPNXSXWXCKQGMP-VMPITWQZSA-N 277.245 3.756 0 40 CHAB O=C(Nc1nc(-c2ccncc2)cs1)c1cccc(F)c1 3950028 USTCEKDBCRAULM-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2N 4073563 WDTAJXMIXADUTH-KHOSGYARSA-N 291.479 3.717 0 40 CHAB C[C@@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC[C@@]3(C)OC=O 4582595 AHZYNUWTBDLJHG-CNRIWFPOSA-N 250.382 3.791 0 40 CHAB O=C(NCc1ccccc1)c1csc2c1CCCC2 5070044 ZSXPITDQALIXOH-UHFFFAOYSA-N 271.385 3.557 0 40 CHAB CCC(C)(C)C(=O)Nc1ccc(Br)cc1F 5501318 NZQPBZKFFVOYSQ-UHFFFAOYSA-N 288.160 3.963 0 40 CHAB CCc1ccc2c(CC(=O)Nc3nccs3)coc2c1 7654748 BSWUFCLOGNWBHI-UHFFFAOYSA-N 286.356 3.633 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2c(C)cccc2C)s1 12978151 OIIVNBNHUHXRLX-UHFFFAOYSA-N 273.357 3.820 0 40 CHAB Fc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1 13207935 FHPBKNQCEHBSSL-UHFFFAOYSA-N 294.329 3.726 0 40 CHAB Cc1cc(N)ccc1NC(=O)c1ccc(C(C)C)cc1 19411095 PNOAIRNDSLNCQF-UHFFFAOYSA-N 268.360 3.953 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(N)c1C 19736303 QJYYNOFUAIRWON-KRWDZBQOSA-N 298.386 3.682 0 40 CHAB CC1CCN(CCCNCc2cc3ccccc3o2)CC1 19994969 VTUABFGTYIUVEU-UHFFFAOYSA-N 286.419 3.644 0 40 CHAB COc1ccccc1-c1nc(Cl)n(-c2ccc(C)cc2)n1 22125283 WSVRORRMSVGMPF-UHFFFAOYSA-N 299.761 3.905 0 40 CHAB CN(CC1CCCCC1)C(=O)c1cc2ccccc2[nH]1 29290538 ODIZTXGFTSMIKR-UHFFFAOYSA-N 270.376 3.820 0 40 CHAB C[C@H](NC(=O)CCC1CCCC1)c1ccc2c(c1)OCO2 32609798 YERIILRJSYSOIE-LBPRGKRZSA-N 289.375 3.563 0 40 CHAB CCCCCCc1ccc(C(=O)C(=O)OCC)cc1 39271928 OWYGOSAZNRVINL-UHFFFAOYSA-N 262.349 3.555 0 40 CHAB CC(C)c1ccc(OCC2CCNCC2)c(Cl)c1 42775025 IVYBADLGQXAHSF-UHFFFAOYSA-N 267.800 3.842 0 40 CHAB Clc1ccc(O[C@@H]2CCNC2)c(-c2ccccc2)c1 42775504 LRDSGZUQJNVFRL-CQSZACIVSA-N 273.763 3.748 0 40 CHAB CC[C@H](CN)Sc1cc(Cl)ccc1Cl 43542453 IHAUJYFNOFHEBN-MRVPVSSYSA-N 250.194 3.823 0 40 CHAB in-vitro O=C(c1ccc(Cl)cc1)c1ccc(Cl)nc1 45038716 SHWBRLXYOYRCIM-UHFFFAOYSA-N 252.100 3.619 0 40 CHAB CC[C@@H]1CCCCN1Cc1nccn1Cc1ccccc1 58419638 YSXGVNJZWQEUSH-QGZVFWFLSA-N 283.419 3.696 0 40 CHAB COc1ccc(CS[C@H](C)c2nc(C)no2)cc1F 72272738 GQNCEOAVRXBDTI-MRVPVSSYSA-N 282.340 3.520 0 40 CHAB Brc1ccc(-n2cnc3ccccc32)cc1 73740210 DAEQXVYTYCHTSF-UHFFFAOYSA-N 273.133 3.788 0 40 CHAB CON(CCC(C)C)Cc1nc(-c2ccco2)oc1C 89548163 AXXAVYLTASQIBO-UHFFFAOYSA-N 278.352 3.653 0 40 CHAB Cc1cc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)no1 96492242 VOWKYKBEPGCPCX-AWEZNQCLSA-N 293.370 3.896 0 40 CHAB CCOc1ccc([C@@H]2COc3cc(C)ccc3N2)cc1 96531342 BCBYAPSVSMLFDU-INIZCTEOSA-N 269.344 3.939 0 40 CHAB CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100742782 MQCKIWHLRVCIAY-XPKDYRNWSA-N 271.404 3.903 0 40 CHAB CCOC(=O)[C@@H](C)CCCCCCCCCC(=O)O 105431917 IAOODJHDNAARCY-ZDUSSCGKSA-N 272.385 3.781 0 40 CHAB Cc1c(-c2ccc(F)cc2)nn(Cc2ccccc2)c1N 199750645 KQIFCDIPKMVHGJ-UHFFFAOYSA-N 281.334 3.628 0 40 CHAB CC[C@H](NC(=O)c1cccnc1)c1ccc2c(c1)CCCC2 223142047 PRQSRKLFTLLVKT-SFHVURJKSA-N 294.398 3.842 0 40 CHAB Cc1ccc(O[C@@H](Cc2ccccc2C)C(=O)O)cc1C 225016076 XDPITFWKZFBEAH-KRWDZBQOSA-N 284.355 3.687 0 40 CHAB O=C(O)[C@H](Cc1ccc(F)cc1)Oc1ccccc1Cl 225053518 BUZSFGFLRKCPGF-AWEZNQCLSA-N 294.709 3.554 0 40 CHAB CCCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1 225642525 WDKJLDRAZXYMIJ-KRWDZBQOSA-N 291.391 3.619 0 40 CHAB CC[C@@H](C)n1ncc(Br)c1COC(C)C 408716682 PRAJIGLPMDBEPJ-SECBINFHSA-N 275.190 3.542 0 40 CHAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc2cccnc12 364298 SHIYLMDMMYRKQT-CYBMUJFWSA-N 292.338 3.641 0 40 CHAB O=C(OCCCc1ccccc1)C(Cl)(Cl)Cl 1687384 SYGLRTZHJMHHSD-UHFFFAOYSA-N 281.566 3.533 0 40 CHAB CC(C)c1ccc(NC(=S)NCc2ccncc2)cc1 7526137 YDSNPLGPLRDHCD-UHFFFAOYSA-N 285.416 3.692 0 40 CHAB CCCc1n[nH]c(=S)n1NCc1ccc(C(C)C)cc1 7601437 PIHDRTVNKLBDOK-UHFFFAOYSA-N 290.436 3.760 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 10091441 FPRLCNWMSGHZPU-VXGBXAGGSA-N 284.403 3.821 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc(N(C)C2CCCCC2)cc1 58156156 TYVJUUCSKMNUIA-CQSZACIVSA-N 288.435 3.984 0 40 CHAB CCCCNC(=O)CS[C@H]1CCCc2ccccc21 58161973 NAOTUSRSONKDGB-HNNXBMFYSA-N 277.433 3.714 0 40 CHAB Cc1nc(S)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 101264095 YCZNZRUNJQNQBS-VOAKCMCISA-N 250.411 3.786 0 40 CHAB CCOC(=O)CCCCCC(=O)c1cc(C)cc(C)c1 2378895 PNGQSVMRBBNEQC-UHFFFAOYSA-N 276.376 4.000 0 40 CHAB CCC(C)(C)NC(=O)c1nc(-c2ccccc2)oc1C 36719032 BRFKYYJJGSORGG-UHFFFAOYSA-N 272.348 3.568 0 40 CHAB COCCNc1ncnc2scc(-c3ccc(C)cc3)c12 2890601 KBKCKZHEIRMSPJ-UHFFFAOYSA-N 299.399 3.725 0 40 CHAB Cc1cc(Cl)ccc1OC(=O)/C=C/c1ccco1 3249108 CRIHRPJDNVGGQJ-FNORWQNLSA-N 262.692 3.860 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12846999 NCFMGUGDNYWULI-LLVKDONJSA-N 270.376 3.575 0 40 CHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1F 3581620 IQQXAJIOPIZQGR-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccccc1F 3904961 RVQIYLDWJBKUAL-MGPQQGTHSA-N 293.382 3.634 0 40 CHAB Cc1c(F)cccc1-c1ccc(CN(C)CC[C@@H](C)O)o1 93481233 NFCKAVWELHQLGA-GFCCVEGCSA-N 291.366 3.597 0 40 CHAB CC[C@@H](C)NC(=O)NC(c1ccccc1)c1ccccc1 13745676 XAKNCIDFYGIISJ-CQSZACIVSA-N 282.387 3.874 0 40 CHAB CC(C)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)[nH]n1 84622434 CJBZDGFMBLAWNC-UHFFFAOYSA-N 287.407 3.688 0 40 CHAB CSc1ncccc1C(=O)Nc1ccc(Cl)cc1F 5688123 OCJZHNGPFQXQPB-UHFFFAOYSA-N 296.754 3.848 0 40 CHAB O=C(Nc1ccccc1)N1CCc2cc3ccccc3nc21 15841779 XGNDBBIGDIKPOV-UHFFFAOYSA-N 289.338 3.829 0 40 CHAB CCc1cccc(C)c1NC(=O)c1ccc2nccnc2c1 7653115 MYHYFRQFJAGLIT-UHFFFAOYSA-N 291.354 3.753 0 40 CHAB O=C(Cc1c(Cl)cccc1Cl)OCc1ccccn1 7984505 VGRNTLUBZUKSBA-UHFFFAOYSA-N 296.153 3.674 0 40 CHAB CCNC(=O)c1cc(N)ccc1Nc1ccc(C(C)C)cc1 225467338 SSJOFEODKZFSCM-UHFFFAOYSA-N 297.402 3.886 0 40 CHAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(F)c1 20104875 CXJPTYXLDDSKDD-GFCCVEGCSA-N 287.334 3.794 0 40 CHAB Cc1ccccc1-c1ccnc2nc3ccccc3n12 20635299 TZEXSRWGLWSUDI-UHFFFAOYSA-N 259.312 3.858 0 40 CHAB COc1ccc(C(C)C)cc1C(=O)N1CCCC[C@H]1C 72206464 DOMKTNOLNDBJHP-CYBMUJFWSA-N 275.392 3.833 0 40 CHAB CN[C@H](Cc1ccccc1)c1ccc(Br)cc1 35463038 AAFFPYMHLOUAIZ-OAHLLOKOSA-N 290.204 3.952 0 40 CHAB C[C@H]1C[C@H](C)CN(CCCCOc2ccccc2C=O)C1 217796592 CEXLILJLAPBTAC-HOTGVXAUSA-N 289.419 3.636 0 40 CHAB c1ccc2c([C@@H]3CCCC[C@H]3NC3CC3)c[nH]c2c1 72210199 PANGFHOBYNCCJF-WMLDXEAASA-N 254.377 3.946 0 40 CHAB O=C(c1ccccc1)N1CCC[C@H]1c1ccsc1 46912561 FTYHXMJZQYQSQU-AWEZNQCLSA-N 257.358 3.725 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2c(C)ccc3nsnc23)c1 41091665 HWXRZMOBQNTBHL-UHFFFAOYSA-N 297.383 3.869 0 40 CHAB Cc1ccc(NC(=O)N[C@H](C)c2ccncc2)c(Cl)c1 40525668 RVHMMCZOBSTSQM-LLVKDONJSA-N 289.766 3.926 0 40 CHAB CCC1(NC(=S)Nc2c(F)cccc2F)CCCC1 225860287 UAZJUBPBGABDKK-UHFFFAOYSA-N 284.375 3.974 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 44886080 XBZSLIDQLQTAPN-NRMKIYEFSA-N 265.356 3.886 0 40 CHAB O=C(Nc1nc(-c2ccco2)cs1)c1ccccc1F 40111362 QNPRTSDGCLALHZ-UHFFFAOYSA-N 288.303 3.795 0 40 CHAB COc1cc2sc(Cl)nc2cc1Br 95950046 CXHLGMOPZWCFJD-UHFFFAOYSA-N 278.558 3.721 0 40 CHAB COc1ccc(C(=O)C(F)(F)C(F)(F)F)c(Cl)c1 234879321 WUKNHWXKAQGVKA-UHFFFAOYSA-N 288.599 3.729 0 40 CHAB CC(C)CSC[C@@H](C)N[C@H](C)c1ccncc1 95419215 JNGLMTALZAJMGS-CHWSQXEVSA-N 252.427 3.510 0 40 CHAB CC(C)c1ccc(Cn2nccc2Br)cc1 95094205 FAQUQAGPLAOZRQ-UHFFFAOYSA-N 279.181 3.817 0 40 CHAB Cc1ccc(Cl)c(C(=O)COc2ccccc2)c1 382641142 OGJNOPXXDYCSTG-UHFFFAOYSA-N 260.720 3.910 0 40 CHAB CCc1nc(C)cn1-c1cccc(Br)c1 95915566 YAWIKWZIQGTQOB-UHFFFAOYSA-N 265.154 3.506 0 40 CHAB CCCOc1ccc(C(=O)NCC(C)C)cc1OCCC 5469439 SQCZDCRZQKVEMV-UHFFFAOYSA-N 293.407 3.650 0 40 CHAB c1coc(-c2cnc(N3CCCC3)nc2-c2ccco2)c1 12253160 PEMWEUCGKDUSID-UHFFFAOYSA-N 281.315 3.597 0 40 CHAB O=C(O)c1cc(-c2ccc(Cl)c(C(F)(F)F)c2)on1 1857794007 SCQAWGLVAZPQJE-UHFFFAOYSA-N 291.612 3.712 0 40 CHAB C[C@@H](NC1CCN(C)CC1)c1ccc(OC(C)(C)C)cc1 156734839 VXUMTZZIXVSAGS-CQSZACIVSA-N 290.451 3.609 0 40 CHAB O[C@@H](c1cccc(OCc2ccccc2)c1)C(F)(F)F 107723577 AYXCEAAUMJRBEQ-AWEZNQCLSA-N 282.261 3.861 0 40 CHAB CCCC[C@@H](CC)C(=O)Nc1ccccc1C(=O)OC 2061895 XATGWJPPEPEQCX-GFCCVEGCSA-N 277.364 3.628 0 40 CHAB CC(C)Sc1ccc(C(=O)Nc2nccs2)cc1 10253325 TVVRBCOVRIZZCJ-UHFFFAOYSA-N 278.402 3.896 0 40 CHAB CSc1ccccc1C1=N[C@@H](c2ccccc2)CO1 40828122 CWXLYGZJGRCNLT-CQSZACIVSA-N 269.369 3.927 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1 364940 DECORNFPFKATTI-CABCVRRESA-N 283.371 3.640 0 40 CHAB Cc1ccc(N[C@@H]2OC(=O)c3ccccc32)cc1Cl 91772 IXPPVUQIWPKNCA-CQSZACIVSA-N 273.719 3.930 0 40 CHAB CS[C@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 42849887 ZCHWGLKXTNHSNZ-BXUZGUMPSA-N 291.441 3.705 0 40 CHAB COc1ccc(-c2nc3ccc(Cl)cc3n2O)cc1 3063603 NJCHSMCIAGSKKW-UHFFFAOYSA-N 274.707 3.603 0 40 CHAB C[C@@H](NC(=O)CC1=CCCCC1)c1nc2ccccc2[nH]1 105780962 LDWRQBCBDUYCBF-GFCCVEGCSA-N 283.375 3.631 0 40 CHAB Cc1cccc(/C=C/C(=O)N2Cc3ccccc3C2)c1 105979912 WELOMAWJQSBMDZ-MDZDMXLPSA-N 263.340 3.551 0 40 CHAB Cc1cccc2c1C1c3c(C)cccc3[C@H](O)CC1C[C@H]2O 1599963 VLVZYXMOGGZGPI-BTSCJYARSA-N 294.394 3.926 0 40 CHAB Cc1nc(NC(=O)CCCOc2ccccc2)sc1C 3363280 ZVGGYFXTNLKDSE-UHFFFAOYSA-N 290.388 3.558 0 40 CHAB CC/C(=C\c1ccc(NC(C)=O)cc1)c1ccncc1 4691859 SWJLYNYRVAKTOA-NTCAYCPXSA-N 266.344 3.991 0 40 CHAB CC(C)CCNC(=O)CSCc1ccccc1Cl 6306702 YODQBVVWKNTZQG-UHFFFAOYSA-N 285.840 3.736 0 40 CHAB Cc1ccc(CNc2nnc3n2CCCCC3)cc1Cl 8550813 JSEMOOXHIYWPEQ-UHFFFAOYSA-N 290.798 3.578 0 40 CHAB Nc1ccc([C@@H]2CCC[C@H]2c2ccc(N)cc2)cc1 8626783 TWAZTWVKGNVLTN-IRXDYDNUSA-N 252.361 3.902 0 40 CHAB Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1 3219156 SUTOIVGUSGZDAM-UHFFFAOYSA-N 274.751 3.970 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(N)c2)cc1Cl 57340323 NLXCMPVNYKEHME-UHFFFAOYSA-N 290.750 3.573 0 40 CHAB C/C=C/C=C/C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11177910 JIPLYZFECXHQLO-KHVHPYDTSA-N 296.326 3.603 0 40 CHAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cccnc1 28270054 JAKAFCPQSLZATG-UHFFFAOYSA-N 295.169 3.960 0 40 CHAB CC(=O)c1ccc(OC(=O)c2ccc3ncsc3c2)cc1 3279726 MOPKQRNJWJOHAY-UHFFFAOYSA-N 297.335 3.718 0 40 CHAB Cc1ccc(F)cc1[C@@H](O)c1cccc(Br)c1 55201574 JLBLSDRVXINAJU-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(F)c(F)c1 2647633 XUHJCMXVSXWONX-FPYGCLRLSA-N 277.245 3.756 0 40 CHAB O=C1[C@H]2CCC[C@H]1[C@@]1(O)CCCC[C@@H]1[C@H]2c1ccccc1 100742639 HRLRAZZTFFAGBS-WAXPSYRMSA-N 284.399 3.691 0 40 CHAB CN(C)CC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100987009 SGTNXLHDNKZGCR-JZFKGDSASA-N 297.442 3.655 0 40 CHAB O=C(O)c1ccc2nc(-c3ccccc3)sc2c1 3656650 SUBZYLZMYNBQLW-UHFFFAOYSA-N 255.298 3.662 0 40 CHAB O=C(Nc1nc2c(F)cc(F)cc2s1)[C@@H]1CC=CCC1 9865534 SKVMMJRULXVKSJ-MRVPVSSYSA-N 294.326 3.869 0 40 CHAB Nc1cccc(-c2ccc(Oc3ccc(F)cc3)o2)n1 96190782 HOIPVDVNSJHRLJ-UHFFFAOYSA-N 270.263 3.855 0 40 CHAB O=c1ccc2ccc(Oc3ncnc4sccc34)cc2o1 4313380 QXYRRRYUUPMGKJ-UHFFFAOYSA-N 296.307 3.590 0 40 CHAB Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccccc3)cc2c1 4696010 WVXQVKQLKRPAQB-ZDUSSCGKSA-N 278.355 3.967 0 40 CHAB O=C1[C@@H](c2ccccc2)C=Nc2c(-c3ccccc3)cnn21 4673499 NNQGEFHNISOBMM-MRXNPFEDSA-N 287.322 3.690 0 40 CHAB Cc1cc(COC(=O)c2cc3c(F)cccc3s2)no1 7837594 AYVVTKLFUVSDQM-UHFFFAOYSA-N 291.303 3.694 0 40 CHAB Cc1nc(SCc2nc3ccccc3o2)nc(C)c1C 8987798 ZOZLETFBVTXRNX-UHFFFAOYSA-N 285.372 3.835 0 40 CHAB Cc1ncsc1CN(C)[C@H](C)c1ncc(C(C)(C)C)o1 95406533 VKIPMJJSRWORRC-LLVKDONJSA-N 293.436 3.930 0 40 CHAB O=C(c1nc2ccccc2[nH]1)[C@@H]1C[C@H]1c1ccc(F)cc1 9913633 XLMQVSNYCUHXNE-QWHCGFSZSA-N 280.302 3.688 0 40 CHAB CCCCN1C(=O)S/C(=C\c2ccc(C)s2)C1=O 409059965 SVRWBUUSDBEFDQ-FLIBITNWSA-N 281.402 3.893 0 40 CHAB Cc1nc2cc(NC(=O)[C@@]3(C)CC3(Cl)Cl)ccc2o1 29796157 UBLFUUQFGFHYNI-GFCCVEGCSA-N 299.157 3.659 0 40 CHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1Cl 408873136 NMYIIMZPGWGOKN-MWODSPESSA-N 284.186 3.912 0 40 CHAB CCCc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=O 37326830 OVOGLSXZTXWLFD-UHFFFAOYSA-N 283.158 3.944 0 40 CHAB C[C@H]1CCN(C(=O)c2ccncc2)c2ccccc2S1 36396821 NOUOEJLESFIWBZ-LBPRGKRZSA-N 284.384 3.613 0 40 CHAB Cc1cccnc1NC(=O)Cn1ccc2cc(Cl)ccc21 32096095 UVGFFCJLNSXIIT-UHFFFAOYSA-N 299.761 3.637 0 40 CHAB Nc1c(Cl)cc(-c2nc3ncccc3o2)cc1Cl 73639989 MTRJWQRNLIHVMK-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB Clc1snnc1CN1CCC[C@@H]1c1ccsc1 46088969 LHLAQNMNIIHOFF-SNVBAGLBSA-N 285.825 3.590 0 40 CHAB Cc1cccc(OCn2cnc3cc(C)c(C)cc32)c1 76555345 DOBTXHSWBMHATC-UHFFFAOYSA-N 266.344 3.998 0 40 CHAB COc1ccc(OC)c(NC(=O)c2cc(C)c(C)cc2C)c1 225639272 BFEJIGFXVYYYIK-UHFFFAOYSA-N 299.370 3.881 0 40 CHAB Clc1cc(-c2cccnc2)nc(-c2ccccc2)n1 44119222 INWFARJBSIRMKS-UHFFFAOYSA-N 267.719 3.859 0 40 CHAB CCCCOc1ccccc1[C@@H](C)NC[C@@H]1CCCO1 225162017 HIVCPSLTVHCDSA-CABCVRRESA-N 277.408 3.695 0 40 CHAB O=C(NCCCc1ccc(Cl)cc1)C1CCCC1 225717872 OWXZHQZYFQYILN-UHFFFAOYSA-N 265.784 3.579 0 40 CHAB O=C(c1cccc(Oc2ccccc2)c1)c1ncco1 85651133 BAUVHIVHPDOGEV-UHFFFAOYSA-N 265.268 3.698 0 40 CHAB Fc1ccc(F)c(OC(Cl)(Cl)Cl)c1F 95215735 INQMPRNNVPADNN-UHFFFAOYSA-N 265.445 3.810 0 40 CHAB C[C@@H](N)COc1c(F)cccc1Oc1ccc(Cl)cc1 257279033 OESLPYFXBQIGRM-SNVBAGLBSA-N 295.741 3.997 0 40 CHAB CCc1cccc(C(=O)COCc2ccccc2)c1 382729917 TZQQAGYUMAGJND-UHFFFAOYSA-N 254.329 3.649 0 40 CHAB O=C(O)C1=C(C(=O)c2ccc(F)c(Cl)c2)CCCC1 95634013 NUNIEJPBGDKISZ-UHFFFAOYSA-N 282.698 3.617 0 40 CHAB CC1CCC(=CC(=O)N2CCn3cccc3[C@H]2C)CC1 72285161 ASOQFZGXJPKAIV-ARLHGKGLSA-N 272.392 3.528 0 40 CHAB C[C@@H](Nc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C 57634866 KOJSKRHKUZSVNW-CHWSQXEVSA-N 298.361 3.604 0 40 CHAB FC(F)c1nc(NCc2ccc[nH]2)c2ccccc2n1 75148758 RSNXJKQSAPKNOT-UHFFFAOYSA-N 274.274 3.508 0 40 CHAB Cc1cc(C)c([C@H](C)N[C@H](C)c2cnn(C)c2)cc1C 95968482 PBCFQAYEUNFVCA-CABCVRRESA-N 271.408 3.757 0 40 CHAB Cc1cnc([C@H](C)N[C@H](C)Cc2ccsc2)s1 96479080 GYLBFPCIJHFZGC-KOLCDFICSA-N 266.435 3.795 0 40 CHAB C[C@@H](NCc1csc([C@@H]2CCCO2)n1)c1ccccc1 97230623 QYGZJYLBWIKXPZ-DOMZBBRYSA-N 288.416 3.845 0 40 CHAB O=C(c1c(F)cccc1F)N1CCC[C@@H]1c1ccco1 15835948 JENMGTSYQVPUQD-GFCCVEGCSA-N 277.270 3.535 0 40 CHAB Cc1cccc(N[C@H](C)C(=O)Nc2ccccc2F)c1 21818445 BFMFPPISVZCCSX-GFCCVEGCSA-N 272.323 3.573 0 40 CHAB CC(C)c1cccc2sc(N3CCC[C@H](CO)C3)nc12 1889111370 CRRFWIHFMWNDLA-LBPRGKRZSA-N 290.432 3.628 0 40 CHAB Cc1cc2ccccc2n1CC(=O)NC1CCC(C)CC1 16052931 GQGVAMUQWHGEEW-UHFFFAOYSA-N 284.403 3.645 0 40 CHAB COc1cccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 22006224 AVUPCGGBSUNPLH-GJZGRUSLSA-N 273.376 3.872 0 40 CHAB CNC(=S)N[C@@H](C)Cc1ccc2oc3ccccc3c2c1 6668136 KWDWEEMTGZKUJQ-NSHDSACASA-N 298.411 3.611 0 40 CHAB C[C@H]1CCc2nc(NC(=O)/C=C\c3ccccc3)sc2C1 17246233 LBUOYAMAGMTBHB-CUZBXDDWSA-N 298.411 3.920 0 40 CHAB COc1ccccc1[C@H](C)NCc1sccc1C 20096646 MMERQMLMIXAIQY-LBPRGKRZSA-N 261.390 3.916 0 40 CHAB COc1ccc(CC(=O)c2ccc(SC)cc2)cc1 245479 RSAXRWHPIVEYMZ-UHFFFAOYSA-N 272.369 3.843 0 40 CHAB Clc1nc2ccccc2cc1CNC1CCCC1 20935406 RWDOTPXPAHNUFU-UHFFFAOYSA-N 260.768 3.920 0 40 CHAB O=C(CC[C@@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 32815735 NGGYKZHWEBXSCU-LBPRGKRZSA-N 288.174 3.891 0 40 CHAB CC(C)(C)n1cnc2cc(NCc3ccncc3)ccc21 423365 WUWZICHQNNKUMF-UHFFFAOYSA-N 280.375 3.798 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)c1cccc2cccnc12 22396459 RBIDNUJBCMJDAW-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB Cc1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1 584313 CDRDJKSQZPERJM-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CC(=O)C(C)(C)Oc1ccccc1OC(=O)c1ccccc1 3122995 LBIZRTLJIOIFTO-UHFFFAOYSA-N 298.338 3.652 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1C 8041105 COBKPRCGGAYZBZ-SFHVURJKSA-N 297.398 3.777 0 40 CHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cn(C)c2ccccc12 12595594 CWOUGWLEINABRW-CYBMUJFWSA-N 290.366 3.770 0 40 CHAB O=C(CCc1ccc(Cl)cc1)N1CCc2ccccc21 53676057 UHFIILOJLNWFSZ-UHFFFAOYSA-N 285.774 3.862 0 40 CHAB N=c1c2c3c(sc2nc2n1CCCCC2)CCCCC3 100625381 NXXFWEZVAMWKPE-UHFFFAOYSA-N 287.432 3.573 0 40 CHAB c1ccc(N[C@H]2CCN(Cc3nc4ccccc4o3)C2)cc1 84553358 GNBOPMSAKTYPTB-HNNXBMFYSA-N 293.370 3.514 0 40 CHAB CCC[C@@H]1CCCN(C(=O)CCc2nccs2)CC1 61296163 YWJMCSGWGTYUCB-CYBMUJFWSA-N 280.437 3.505 0 40 CHAB Cc1cccc(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c1 10465587 MHKYMWXSKRSIAN-GFCCVEGCSA-N 298.342 3.606 0 40 CHAB C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(F)cc1 3336674 CQHBGEHXRMCKGH-NSHDSACASA-N 291.753 3.899 0 40 CHAB C[C@@H]1C[C@H](C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)CCC1=O 95461506 RLYIJPZIICZOPK-UXOAXIEHSA-N 290.403 3.527 0 40 CHAB O=C(Nc1nc2ccccc2s1)c1cc(F)ccc1F 13003390 HEDLGRLIZAYINP-UHFFFAOYSA-N 290.294 3.827 0 40 CHAB CC(C)CCNCc1cccc(Br)c1 13717952 FDHDBEHUVGLBAU-UHFFFAOYSA-N 256.187 3.585 0 40 CHAB Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1C 5558685 VRWZZXKCNKHIDT-UHFFFAOYSA-N 260.724 3.604 0 40 CHAB CNCCC[C@]1(O)c2ccccc2CSc2ccccc21 6639580 LJPIJKHELBOUMI-SFHVURJKSA-N 299.439 3.528 0 40 CHAB CC(C)c1cc(N(C)C)n2ncc(-c3ccccc3)c2n1 6764249 GJVJLMRNWVVBJL-UHFFFAOYSA-N 280.375 3.586 0 40 CHAB CC(C)(C)c1ccccc1OCC(=O)N1CCCCCC1 8040902 RLIRGOWFERVOHV-UHFFFAOYSA-N 289.419 3.766 0 40 CHAB Fc1cccc(COc2cccc(NCc3ncc[nH]3)c2)c1 89775109 CDTPTMDXMQYOED-UHFFFAOYSA-N 297.333 3.740 0 40 CHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H]2CCCC[C@@H]21 89807711 NNPQCMIYDAPREQ-DYVFJYSZSA-N 282.387 3.963 0 40 CHAB C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc(Cl)cc1 27663982 ZBKBPVWGLOJJOT-JTQLQIEISA-N 289.766 3.760 0 40 CHAB Cc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 31107806 DSJGCQGDMJNCLI-UHFFFAOYSA-N 277.726 3.718 0 40 CHAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccccc2)c1 32779580 XSAIANVQBUWYKA-LBPRGKRZSA-N 297.358 3.528 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N2CCc3ccccc32)c1C 31673655 UEMVKCUUWNBSNJ-HNNXBMFYSA-N 295.382 3.660 0 40 CHAB CCCN1CCCC[C@@H]1c1cnc(Cl)cc1C 72217858 LKYVPOPVNWGHPE-CYBMUJFWSA-N 252.789 3.980 0 40 CHAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1CC(C)C 72218863 ZNMFYJYTCDZHIA-KRWDZBQOSA-N 287.451 3.783 0 40 CHAB COc1cccc(NC(=S)NCCSC(C)(C)C)c1 33858381 SQGRZYDJEUHGPH-UHFFFAOYSA-N 298.477 3.513 0 40 CHAB O=C(O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 38387282 JSXUTJNCMVFTEN-UHFFFAOYSA-N 276.295 3.509 0 40 CHAB CC[C@H](NC1CC1)c1cccc(Br)c1 37183805 BNGPPIHTVAQZLJ-LBPRGKRZSA-N 254.171 3.652 0 40 CHAB CCN(CC)C(=O)c1cc(OC(C)C)c2ccoc2c1 72240174 LZTOYQOUKJSXAX-UHFFFAOYSA-N 275.348 3.702 0 40 CHAB COc1ccc(C2=CCN(C(=O)c3ccoc3C)CC2)cc1 40539880 ZZVDZKRRIUBPCU-UHFFFAOYSA-N 297.354 3.526 0 40 CHAB Clc1ccc(OCC[C@H]2CCCNC2)cc1Cl 42772694 ROFIFPSVRWLKHU-SNVBAGLBSA-N 274.191 3.762 0 40 CHAB CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(C)c1 226260642 PYRVHGYKAZDONA-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB CCc1ccc(CC(=O)N2c3ccccc3C[C@@H]2C)cc1 223895484 UCVAIEYDKVHURP-AWEZNQCLSA-N 279.383 3.769 0 40 CHAB CCc1ccc(OCCNC(=O)c2cc(C)ccc2C)cc1 225053307 GSPXMXDRCUTAKP-UHFFFAOYSA-N 297.398 3.675 0 40 CHAB S=C(Nc1ccccc1)NC1(c2ccncc2)CCCC1 225840277 RQPWLFHKCJFCEK-UHFFFAOYSA-N 297.427 3.838 0 40 CHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C)c1 225619784 DTEJGHYJUCNWQS-INIZCTEOSA-N 279.380 3.537 0 40 CHAB Cc1ccc(C(=O)[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 248134158 CBJIKKHQXWOTES-QWQRMKEZSA-N 270.372 3.819 0 40 CHAB CC[C@H](C(=O)c1cccc(C(=O)OC)c1)c1ccccc1 575362461 NUNOUQSIBQCHIO-INIZCTEOSA-N 282.339 3.850 0 40 CHAB CC(C)CNC(=O)c1sc2ccccc2c1Cl 3190624 RIPIGSPCBSENLG-UHFFFAOYSA-N 267.781 3.941 0 40 CHAB O=Cc1cc2c(F)cc(Br)cc2s1 306821697 PKFNHFAESPAYEW-UHFFFAOYSA-N 259.099 3.615 0 40 CHAB CCc1cccc(NC(=O)c2ccc(F)cc2F)c1 5465495 VUOBJHQPEYOAIW-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB CCC(=O)N1c2ccccc2[C@H]2OCC[C@H]2[C@H]1c1ccco1 12661740 GMILVLBJMWHFQE-DOPJRALCSA-N 297.354 3.855 0 40 CHAB Cc1ccc(C(=O)N2CCCSc3ccccc32)cn1 12908759 CDRKZMZFEGMOKR-UHFFFAOYSA-N 284.384 3.533 0 40 CHAB CCCC[C@@]1(CCC)NC(=S)N(c2ccccc2)N1 13547496 HECXJRQFVSKKSX-HNNXBMFYSA-N 277.437 3.572 0 40 CHAB CC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(C)cc1 14602609 DDDPVEAAYQLNII-KRWDZBQOSA-N 285.362 3.944 0 40 CHAB CCCN1C(=O)Oc2ccccc2[C@H]1c1ccc(O)cc1 16623594 ZKVLLBAZNCBVKX-MRXNPFEDSA-N 283.327 3.706 0 40 CHAB COc1cc(Br)ccc1OC1CCCC1 38241810 NVRLZHRINGJWHE-UHFFFAOYSA-N 271.154 3.779 0 40 CHAB Cc1ccccc1-c1cc(-c2ccccc2O)n[nH]1 100565975 JWOVFXQVDVLYKI-UHFFFAOYSA-N 250.301 3.758 0 40 CHAB CCCC[C@@H](CC)C(=O)c1ccc(C(=O)OC)cc1 575362500 RGRCTVQJZHHZLV-GFCCVEGCSA-N 262.349 3.872 0 40 CHAB O=C1CCCCC[C@@H]1Sc1nnc(-c2cccs2)o1 31700297 FLLIAXHFABDWEE-JTQLQIEISA-N 294.401 3.792 0 40 CHAB CC[C@@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 284836 FXKVQPZYZCTTGF-CYBMUJFWSA-N 253.345 3.882 0 40 CHAB Cc1ccc(OC(=O)c2sc(Cl)nc2C)cc1C 384923 WWWRPJGVDAISCR-UHFFFAOYSA-N 281.764 3.941 0 40 CHAB CC(C)(C)c1ccc(C(C)(C)C)c2c1OS(=O)O2 499528 DZXPVMWLHZIIRO-UHFFFAOYSA-N 268.378 3.632 0 40 CHAB CC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1 1758570 JUXJZTJLUULZRU-UHFFFAOYSA-N 296.326 3.736 0 40 CHAB CN(C)C(C)(C)Cc1c2c(cc3c1CCC3)CCC2 4128886 RDHLIAZBXSQLBP-UHFFFAOYSA-N 257.421 3.547 0 40 CHAB O=C1[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1[C@@H]2c1ccccc1 4529837 HRLRAZZTFFAGBS-HTBDUDNFSA-N 284.399 3.691 0 40 CHAB C[C@H]1C[C@@H](C)CN(CCC(=O)Nc2ccc(Cl)cc2)C1 4743776 UCDGRAQDXGRBCS-BETUJISGSA-N 294.826 3.647 0 40 CHAB Cc1cc(C)c(CSc2ncnc3nc[nH]c23)c(C)c1 5126944 PFFHYFUYNWNHSH-UHFFFAOYSA-N 284.388 3.570 0 40 CHAB CC(C)n1cc(C=O)c2cc(Br)ccc21 5945220 IGVNOZSHNDWZRN-UHFFFAOYSA-N 266.138 3.797 0 40 CHAB Cc1ccc(OC[C@H](O)CNC(C)(C)CC(C)(C)C)cc1 7636276 NCJYCTRTLSFMPL-OAHLLOKOSA-N 293.451 3.539 0 40 CHAB O=Cc1cc(Cl)c(OCc2cccnc2)c(Cl)c1 8702333 IEVMFNWUHCOTMP-UHFFFAOYSA-N 282.126 3.780 0 40 CHAB Oc1ccc(-c2csc(NC3CCCC3)n2)c(O)c1 9607659 NMFQMNREDWATIK-UHFFFAOYSA-N 276.361 3.576 0 40 CHAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2)c1 9816893 MDXCYKKATITFFF-KRWDZBQOSA-N 299.370 3.881 0 40 CHAB CN(C(=O)C1=Cc2ccccc2OC=C1)c1ccccc1 12274533 VHKDJWSFRYLYIR-UHFFFAOYSA-N 277.323 3.639 0 40 CHAB CC(=O)Nc1ccc(-c2cnc3ccccc3c2)cc1 13283022 QYJGPTPNLSHXMQ-UHFFFAOYSA-N 262.312 3.860 0 40 CHAB CC[C@H](C)NC(=O)NC(c1ccccc1)c1ccccc1 13745678 XAKNCIDFYGIISJ-AWEZNQCLSA-N 282.387 3.874 0 40 CHAB Cc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)c(C)c1 13878953 FNXFNQNMGBVWMR-UHFFFAOYSA-N 296.399 3.989 0 40 CHAB COc1ccccc1NC(=O)N(C)Cc1ccc(C)cc1 18173211 BSVVFQRMTHUDRN-UHFFFAOYSA-N 284.359 3.668 0 40 CHAB CCCOc1ccc(C(=O)NCc2ccccc2C)cc1 18832002 NCUKCJRKKNGMFR-UHFFFAOYSA-N 283.371 3.714 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20137494 YNAMJTOAZGMJDO-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CC(C)CC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)o1 20495997 MHKVPVYWIHTFOE-UHFFFAOYSA-N 287.363 3.845 0 40 CHAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccco1 25464059 JISBXTCEGUVGAK-MRVPVSSYSA-N 267.687 3.563 0 40 CHAB Cc1ccc(NC(=O)c2ccccc2)c2cccnc12 31091810 SSPDKBSBPRQMQS-UHFFFAOYSA-N 262.312 3.796 0 40 CHAB Cc1ccc(-c2cc(C(=O)Nc3nc(C)cs3)on2)cc1 36391497 UXYKCXFDXGNCAH-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CC(C)(C)n1cc(C(=O)O)c(-c2ccccc2Cl)n1 37311547 NMTCBXWSDNRERC-UHFFFAOYSA-N 278.739 3.657 0 40 CHAB in-vitro COc1cccc([C@H](C)NCc2ccc(C)s2)c1 37771643 WXKPKLAVKSNIAI-LBPRGKRZSA-N 261.390 3.916 0 40 CHAB Cc1cccc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)n1 40121695 OOZGLOVKVKDIGU-AWEZNQCLSA-N 298.386 3.668 0 40 CHAB Cn1c(C(=O)Nc2ccccc2Cl)cc2occc21 40288132 HVTUQVMIHKTYTO-UHFFFAOYSA-N 274.707 3.677 0 40 CHAB Cc1ccc(C)c(CC(=O)NC(C(C)C)C(C)C)c1 44904142 RUTJPZIGLIJSBF-UHFFFAOYSA-N 261.409 3.643 0 40 CHAB CCCCSc1nnc(C)n1-c1cccc(C)c1 61355509 ZUUNCWLLPINMHT-UHFFFAOYSA-N 261.394 3.776 0 40 CHAB CCOc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72211776 WTAWEYHCVQSBJM-ZDUSSCGKSA-N 292.379 3.552 0 40 CHAB CC(=O)N1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214071 VHUGBFNKVPUDHW-MRXNPFEDSA-N 281.359 3.509 0 40 CHAB C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 72398477 IAFWDNUHCNWVCC-RRQGHBQHSA-N 294.398 3.597 0 40 CHAB COC[C@H](C)S[C@@H](C)c1ncc(C(C)(C)C)o1 85228765 NRDRGRZXSBORDW-UWVGGRQHSA-N 257.399 3.801 0 40 CHAB O=C(Nc1cc(F)ccc1Cl)N1C[C@H]2CCC[C@@H]2C1 89769658 BKNHAPUAUGSLOI-NXEZZACHSA-N 282.746 3.743 0 40 CHAB CN1C[C@H]2c3cc(Cl)ccc3Oc3ccccc3[C@H]2C1=O 95079907 IHRQBJYWHVRTCP-XJKSGUPXSA-N 299.757 3.785 0 40 CHAB COc1cc(CO)c(Cl)cc1OCc1ccccc1C 95095043 SHLYACNMFNEFTG-UHFFFAOYSA-N 292.762 3.728 0 40 CHAB C[C@H](OC[C@@H]1CO1)c1cc(F)c(Cl)cc1Cl 95096315 GMNNPRMAMBLDBQ-NKWVEPMBSA-N 265.111 3.609 0 40 CHAB O=C(CC1(n2cccc2)CCCCC1)Nc1ccncc1 95475305 YCLZSMVPNDZVTK-UHFFFAOYSA-N 283.375 3.571 0 40 CHAB c1ccc2sc(SCCC3CCNCC3)nc2c1 95908642 FCPZTQZAOBANIF-UHFFFAOYSA-N 278.446 3.778 0 40 CHAB O=C(COc1ccccc1)c1ccc(Cl)c(F)c1 95916294 LWRRFMNCCQDGBK-UHFFFAOYSA-N 264.683 3.741 0 40 CHAB c1ccc(Cc2nnc(CSCc3ccco3)o2)cc1 96416319 VWGBIHAYVVZSNX-UHFFFAOYSA-N 286.356 3.687 0 40 CHAB c1cc(-c2noc(C3CC3)n2)cc(-c2nc(C3CC3)no2)c1 96435862 FQMDFVPBRZEHPL-UHFFFAOYSA-N 294.314 3.541 0 40 CHAB C[C@@H]1CC[C@H]1COc1cccc(Br)c1 96526378 DHBMWRKKVRQTQA-ZJUUUORDSA-N 255.155 3.874 0 40 CHAB C[C@@]12CC3CC(C(=O)N4CCCC4)(C1)C[C@@](C)(C3)C2 100230582 NLFKLCRVPYQIRK-DBGUYSSFSA-N 261.409 3.605 0 40 CHAB Cc1cc(C)c(C(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1C 102225967 YBPHOJKAQGJZLA-ZOBUZTSGSA-N 298.382 3.550 0 40 CHAB CC(=O)c1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106025145 XCERKAMPHKREAN-QEJZJMRPSA-N 271.360 3.654 0 40 CHAB O=C1c2ccc(Br)cc2CN1C1CCCCC1 146818870 FVMQYPWUWBVGIZ-UHFFFAOYSA-N 294.192 3.738 0 40 CHAB Cc1cccc2nc(C3CCN(C4CCC4)CC3)oc12 194834421 COOPFSDQAQTMHY-UHFFFAOYSA-N 270.376 3.868 0 40 CHAB Nc1ccc(OCc2cccc3ccccc23)c(C(=O)O)c1 216854009 PPJUDBBPIUHRFG-UHFFFAOYSA-N 293.322 3.699 0 40 CHAB O=C1CCC[C@H]1[C@@H]1CCCCCN1Cc1ccccc1 217464498 OMWBVERYXPTJQI-IRXDYDNUSA-N 271.404 3.800 0 40 CHAB COC(=O)c1cccc(-c2cccc(C(=O)OC)c2C)c1C 220383232 MQHHLUHBNUQXJS-UHFFFAOYSA-N 298.338 3.544 0 40 CHAB Cc1ccccc1O[C@H](Cc1ccc(Cl)cc1)C(=O)O 225060618 LXHMIOURWHHBFX-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB CCNC(=O)c1cc(N)ccc1NC1CCCCCCC1 225496349 PVZMBEBQWWTZQF-UHFFFAOYSA-N 289.423 3.543 0 40 CHAB Cc1cc(NC(=O)C(F)(F)F)cc(C)c1OC(C)C 225588751 BQMLQVWSKVFHFL-UHFFFAOYSA-N 275.270 3.591 0 40 CHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC)c(C)c1 225731456 OHNHTVLPLVALIQ-MRXNPFEDSA-N 279.380 3.537 0 40 CHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccccc2)S1 260784325 VUDJCPYWPKCWPQ-DAXOMENPSA-N 295.411 3.671 0 40 CHAB C[C@@H]1C[C@@H](N[C@H](C)c2cscn2)c2ccccc2O1 296661245 ZTVHWMIQOMNAIY-NQBHXWOUSA-N 274.389 3.706 0 40 CHAB Cc1csc(C(=O)N2CC[C@H](c3ccsc3)C2)c1 670771036 IQFXCIRWKGRSCC-NSHDSACASA-N 277.414 3.748 0 40 CHAB COc1ccc2c3c(ccc2c1)[C@@H]1CC(=O)C[C@H]1CC3 1701626 HBBSTQBIUPTJSZ-ADLMAVQZSA-N 266.340 3.857 0 40 CHAB Oc1ccc(CC[C@H]2CCNc3ccccc32)cc1 1724386 VAQRKDMOIDEBBF-AWEZNQCLSA-N 253.345 3.924 0 40 CHAB CC(=O)Nc1ccc(SCc2c(C)noc2C)cc1 1383207 JKMJAMSOMNXGDM-UHFFFAOYSA-N 276.361 3.542 0 40 CHAB CC(=O)OCC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 4042741 WAZIVOKZWOLZGT-XYVMCAHJSA-N 296.451 3.933 0 40 CHAB biogenic C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21 4217690 YSGQGNQWBLYHPE-CFUSNLFHSA-N 288.431 3.735 0 40 CHAB investigational CC(=O)OC1=C(C)C2=C3OC(=O)C(C)=C3CC[C@@]2(C)CC1 4792528 UVZIWNWWHZPYGX-KRWDZBQOSA-N 288.343 3.545 0 40 CHAB CC(=O)S[C@@H](C)C[C@@H]1CCC[C@H](SC(C)=O)C1 4934461 SCLSFVLZHYZIOT-XDTLVQLUSA-N 274.451 3.883 0 40 CHAB CCCCC(=O)Nc1ccc(OC)c(Br)c1 6263954 KREHFIBPYSMFDX-UHFFFAOYSA-N 286.169 3.586 0 40 CHAB Cc1cccnc1NC(=S)Nc1ccc(Cl)cc1 6276361 OSFFCHJFSDPLEB-UHFFFAOYSA-N 277.780 3.852 0 40 CHAB CN(C)C(=O)c1cccc(NCc2ccccc2Cl)c1 35229772 YUGICRLXCOXVBV-UHFFFAOYSA-N 288.778 3.654 0 40 CHAB Cc1nc(-c2cccc(NC(=S)NC3CC3)c2)cs1 7101742 CXBUTOVHIPSBQL-UHFFFAOYSA-N 289.429 3.567 0 40 CHAB CCOc1ccc(-c2csc(C3CCNCC3)n2)cc1 36177457 ZLTMVZTWDGEDEE-UHFFFAOYSA-N 288.416 3.676 0 40 CHAB Cc1ccccc1-c1cc(O)n(-c2ccc(F)cc2)n1 9937426 NJGMSTMPMDAFHR-UHFFFAOYSA-N 268.291 3.692 0 40 CHAB c1ccc2oc(NCCOc3ccc4c(c3)CCC4)nc2c1 58406834 CRCXEEFQQGGDIE-UHFFFAOYSA-N 294.354 3.807 0 40 CHAB O=C(c1cccc(Cl)c1)N1CCc2sccc2C1 10885099 SBSMPZPNLBBMBP-UHFFFAOYSA-N 277.776 3.600 0 40 CHAB Cc1nc2ccccc2nc1NCCc1ccc(F)cc1 29401638 HEQAZBPJUNKHMG-UHFFFAOYSA-N 281.334 3.732 0 40 CHAB CCOC(=O)CCCCCC(=O)c1ccc(CC)cc1 2580356 SPJVPQLRMFLDIT-UHFFFAOYSA-N 276.376 3.945 0 40 CHAB CC[C@H]1CCCCN1Cc1nc2cc(F)ccc2n1CC 60375378 UBIVJYASTZKXLJ-AWEZNQCLSA-N 289.398 3.960 0 40 CHAB Cc1cc(F)ccc1[C@@H](O)c1ccc(Br)cc1 55200935 QZELMCQDYZCOSF-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 13746256 HNGYYWWRCDYVCY-STQMWFEESA-N 262.397 3.969 0 40 CHAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccncc1 6125111 UZPZUJVSAZNNBL-SNVBAGLBSA-N 294.276 3.591 0 40 CHAB Cc1cc(CSc2nnc(-c3ccccc3C)o2)no1 5319549 DGTBKQRNEGRXHR-UHFFFAOYSA-N 287.344 3.634 0 40 CHAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(-c2ccccc2O)n1 6501240 ODRLNZFAGQVHGI-STQMWFEESA-N 297.402 3.640 0 40 CHAB COc1cccc(NC(=O)/C=C/c2cc(C)ccc2OC)c1 6788932 FTFCEIHXYGAOOG-CSKARUKUSA-N 297.354 3.664 0 40 CHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCC[C@H]1C 6790122 NWIMMNSYUZEOJT-IUODEOHRSA-N 298.386 3.959 0 40 CHAB Cc1csc(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)n1 7195987 YEXDGRXUOIDYAT-WCQGTBRESA-N 298.477 3.627 0 40 CHAB Cc1cccc([C@H](C)NCc2ccc(C3OCCO3)cc2)c1 96477583 ANROPBYYWSNQDY-HNNXBMFYSA-N 297.398 3.891 0 40 CHAB Cc1ccsc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886089 LXAGWOWYJIKOSL-OAHLLOKOSA-N 284.384 3.785 0 40 CHAB O=C(Oc1cccc(Oc2ccccc2)c1)C1CC1 84558633 YHKVCEMPWLAORW-UHFFFAOYSA-N 254.285 3.794 0 40 CHAB Brc1cccc(NCc2ccco2)c1 19941692 AQXQNFXVLIDCQN-UHFFFAOYSA-N 252.111 3.654 0 40 CHAB CC(C)CC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 71909288 PJMWDCQFCXDULD-HXUWFJFHSA-N 295.448 3.718 0 40 CHAB CC(C)c1noc(-c2ccc(NC(=O)c3ccco3)cc2)n1 69621980 KWVSWHRDKFYDOE-UHFFFAOYSA-N 297.314 3.705 0 40 CHAB C[C@H]1CCCCN1Cc1cc(F)ccc1Br 309493353 BOSGIPZDZKMRID-JTQLQIEISA-N 286.188 3.963 0 40 CHAB CCN1C(=O)/C(=C/c2cccc(OC)c2)c2ccccc21 409205897 QNJYLMVMGUVNLK-FOWTUZBSSA-N 279.339 3.602 0 40 CHAB Cc1ccc([C@@H](C)N(C)Cc2ccccc2)cc1N 218282668 SAWXNWQDVIAHPH-CQSZACIVSA-N 254.377 3.770 0 40 CHAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccoc1 72221594 MEVAZWJYSOCVIM-OAHLLOKOSA-N 271.316 3.753 0 40 CHAB CCCn1nccc1C(=O)Nc1cccc2ccccc12 32611298 AURTWXBVJBCLSK-UHFFFAOYSA-N 279.343 3.699 0 40 CHAB Cc1ccncc1C(=O)c1cc(Cl)cc(Cl)c1 45029035 HPLNKRKDDHUAKU-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB C[C@@H](NCc1cccc(OC(F)F)c1)c1cncc(F)c1 89520259 NLUPGGYRZZOFBH-SNVBAGLBSA-N 296.292 3.673 0 40 CHAB COc1ccc(NC(=O)CCCc2cccs2)cc1F 48314802 POSQUCWYHPWPIM-UHFFFAOYSA-N 293.363 3.857 0 40 CHAB CCNCc1c(C)[nH]c2ccc(O[C@H](C)CC)cc12 223764367 FIHDTQJQDKTLJF-LLVKDONJSA-N 260.381 3.763 0 40 CHAB Cc1ccc2cc(-c3nc(C4CC4)no3)c(C)nc2c1 84210021 GELMQQUVMCJBHA-UHFFFAOYSA-N 265.316 3.779 0 40 CHAB COCCCCC[S@](=O)c1ccc(Cl)c(Cl)c1 96480856 NJHROEBPSXMMIW-QGZVFWFLSA-N 295.231 3.918 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccnc(Cl)c2)C1 257231583 GHJAONFABPQDOE-LBPRGKRZSA-N 296.798 3.850 0 40 CHAB FC(F)c1cnc2c(Br)cc(Cl)cn12 575629408 WBZGSYJHGJWLEN-UHFFFAOYSA-N 281.487 3.688 0 40 CHAB O=C(CCc1ccccc1)N1CC[C@@H](c2cccs2)C1 827907156 LBKLSFYBJRZZSF-OAHLLOKOSA-N 285.412 3.697 0 40 CHAB C[C@@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918477 FCOKAVPKKDPGKU-VIFPVBQESA-N 293.310 3.554 0 40 CHAB CCOc1cc(CN[C@@H](C)c2sccc2C)ccn1 95420324 JHNZYCWMJRDGGL-LBPRGKRZSA-N 276.405 3.701 0 40 CHAB CO[C@H]1CCCN(C2CCCC2)[C@H]1Cc1ccccc1 1615191574 HFCWHHGQOBJTOJ-ROUUACIJSA-N 273.420 3.651 0 40 CHAB Cc1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 12853375 HGUMIRQQVFSKRE-UHFFFAOYSA-N 294.354 3.596 0 40 CHAB Nc1ccc(-c2ccccc2OCc2ccccc2)cn1 16948027 DDCCHZTWYUSBQS-UHFFFAOYSA-N 276.339 3.910 0 40 CHAB Cc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1N 19390564 AWPHYFAHCKBBCX-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB CCSc1nnc(-c2ccccc2Cl)n1CC 19928252 WTBWUQWEGNUSEV-UHFFFAOYSA-N 267.785 3.730 0 40 CHAB CCOC(=O)[C@@H]1CC[C@@H]2Nc3c(Cl)cccc3[C@@H]2C1 12336672 ILKXXVKIHTZAIS-CDMKHQONSA-N 279.767 3.581 0 40 CHAB O=C(O)CC1(CC(=O)c2cc(F)cc(F)c2)CCCC1 2580198 PGPFZIOEDYMNHR-UHFFFAOYSA-N 282.286 3.573 0 40 CHAB CCc1cc(Br)cc2cc(C=O)oc12 22053169 QWORBQILFUGMSQ-UHFFFAOYSA-N 253.095 3.570 0 40 CHAB in-vitro CC[C@H](NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 20124414 OQCRGGAWRHBOSL-HNNXBMFYSA-N 287.334 3.795 0 40 CHAB CN(C(=O)c1cc2sccc2n1C)c1ccccc1 40798630 GWNJZFQMTJABGB-UHFFFAOYSA-N 270.357 3.516 0 40 CHAB Cc1ccccc1CCNC(=O)[C@H](C)Sc1ccccc1 32678548 HVYBAIZXFFGJBQ-HNNXBMFYSA-N 299.439 3.835 0 40 CHAB CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 53841320 RAGSBFMOTBUTTQ-UHFFFAOYSA-N 296.399 3.668 0 40 CHAB O=C(Cc1ccsc1)Nc1ccccc1N1CCCC1 22641088 KGYBRXKZYGFBAB-UHFFFAOYSA-N 286.400 3.530 0 40 CHAB CC(C)COC(=O)c1cccc(NC(=O)c2ccccc2)c1 62303 WRIWAXOEQQGSHE-UHFFFAOYSA-N 297.354 3.752 0 40 CHAB COc1ccc(CCCC(=O)NC2CCCCCC2)cc1 1005327 VYKJDGLNRNZMEP-UHFFFAOYSA-N 289.419 3.857 0 40 CHAB CC(=O)OC[C@]12CC[C@](CCC=C(C)C)(C[C@H]1C)OC2 1321837 AXJOCLMFQAZKPU-HYVNUMGLSA-N 280.408 3.871 0 40 CHAB CC(C)(C)NC(=O)C(F)(F)Oc1ccc(C(C)(C)C)cc1 1401275 HUSWPFVIIWBHAY-UHFFFAOYSA-N 299.361 3.870 0 40 CHAB CCC(C)(C1CCC(O)CC1)C1CCC(O)CC1 1707453 WPGHRFLHOAGUSV-UHFFFAOYSA-N 254.414 3.505 0 40 CHAB COc1ccccc1C(=O)Nc1ccc(Cl)cc1F 3611902 JNTOCSDSQDFLCM-UHFFFAOYSA-N 279.698 3.740 0 40 CHAB COc1cccc(OCC(=O)Nc2ccc(C(C)C)cc2)c1 4702868 GDXPJNNURDCOGE-UHFFFAOYSA-N 299.370 3.836 0 40 CHAB C[C@]12CCC3=C(CCc4cc(O)ccc43)[C@H]1CCC2=O 5066710 OUGSRCWSHMWPQE-AEFFLSMTSA-N 268.356 3.871 0 40 CHAB in-vitro Cc1cc(SC(=O)c2ccc(F)cc2)nc(=S)[nH]1 5537501 PZWPVYXBFCLGIC-UHFFFAOYSA-N 280.349 3.519 0 40 CHAB CCCCC(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 5756053 CGFJKSDCZACSME-GFCCVEGCSA-N 287.359 3.781 0 40 CHAB CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2OC)cc1 7240331 AWPCQNBGISPLJI-ZDUSSCGKSA-N 298.386 3.697 0 40 CHAB COc1ccc(C)cc1CN(C)c1ncnc2ccccc12 8074374 GPNKPLCTPNQTIN-UHFFFAOYSA-N 293.370 3.583 0 40 CHAB Clc1ccc(CNCc2ccncc2)cc1Cl 8418055 XUDVOLHLDGBFEQ-UHFFFAOYSA-N 267.159 3.678 0 40 CHAB O=C(Nc1cccc(Cl)c1)[C@H]1COc2ccccc2C1 8755883 PKTXNUGRYLONCX-GFCCVEGCSA-N 287.746 3.530 0 40 CHAB Cc1nn(-c2ccccc2)c2nc(C(C)C)cc(C(=O)O)c12 11567308 OXKCSPSWZWVIOF-UHFFFAOYSA-N 295.342 3.551 0 40 CHAB O=C1CCCN1c1ccccc1NCc1cccc(F)c1 11618319 DLAOJTJLLSSJSA-UHFFFAOYSA-N 284.334 3.565 0 40 CHAB CCc1ccccc1S(=O)(=O)c1ccc(C)cc1C 12346763 NDAQUVLUYHPDEV-UHFFFAOYSA-N 274.385 3.699 0 40 CHAB COC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 12397229 DUMQYEQXCWQQTD-UHFFFAOYSA-N 294.310 3.554 0 40 CHAB CC[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 13745658 DGVMMHFVJFILKI-AVGNSLFASA-N 254.418 3.689 0 40 CHAB Cc1ccc(C(=O)c2oc3ccccc3c2N)c(C)c1 14128839 DSPJLZQPMLSGOP-UHFFFAOYSA-N 265.312 3.863 0 40 CHAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)OCCCO2 15584651 FDCSLQDTXCGQMF-UHFFFAOYSA-N 297.354 3.717 0 40 CHAB COc1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 19736175 LMPNIBXTCMXKQO-UHFFFAOYSA-N 298.386 3.827 0 40 CHAB O=C(/C=C\c1ccccc1)OCCCc1ccccc1 20231730 LYRAHIUDQRJGGZ-YPKPFQOOSA-N 266.340 3.876 0 40 CHAB CC(C)Oc1ccccc1C(=O)N1CCc2ccccc21 20289666 GNWVVSQCCAVDNT-UHFFFAOYSA-N 281.355 3.677 0 40 CHAB O=C(O)C1=C(c2nc3ccccc3s2)CCCC1 22864835 UKMNTIUDVJSSNV-UHFFFAOYSA-N 259.330 3.709 0 40 CHAB Cc1ccc(CCC(=O)N2CCc3sccc3C2)cc1 32889981 QYNWZUAIRMMROJ-UHFFFAOYSA-N 285.412 3.574 0 40 CHAB CCn1c(CCCCC(=O)O)nc2cc(Cl)ccc21 37440132 YIBAXHIUWVDYNN-UHFFFAOYSA-N 280.755 3.507 0 40 CHAB Cc1ncc(CNc2ccccc2OC(F)(F)F)s1 37797028 RCJVSABVUODNNA-UHFFFAOYSA-N 288.294 3.962 0 40 CHAB Fc1ccccc1Oc1ncccc1Br 42376380 CPJJKBPLWKEOHQ-UHFFFAOYSA-N 268.085 3.776 0 40 CHAB Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)O 44594137 QMRHMRNGDXFMPD-MRVPVSSYSA-N 298.205 3.934 0 40 CHAB in-vitro C[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 49497018 DYXUCFBSRUIVBS-LDYMZIIASA-N 272.373 3.768 0 40 CHAB CSc1ccc(C(=O)COCc2ccccc2)cc1 50159268 GVZCNDMWPGPKFR-UHFFFAOYSA-N 272.369 3.808 0 40 CHAB CCOc1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 54971785 KPHHIKZKAGKNGZ-ZOWXZIJZSA-N 290.432 3.560 0 40 CHAB CCCN(C)C(=O)CCc1ccc(-c2ccccc2)o1 60204403 PYZSTUDTHCDIGS-UHFFFAOYSA-N 271.360 3.748 0 40 CHAB O=C(O)c1cc2c(F)cccc2n1Cc1ccccc1 67799566 JMKVVXUWANABNR-UHFFFAOYSA-N 269.275 3.527 0 40 CHAB CC(C)c1ccc(N[C@@H](C(N)=O)c2ccc(F)cc2)cc1 71822824 CYKRJJUIBDOICP-MRXNPFEDSA-N 286.350 3.588 0 40 CHAB Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)ccn1 72219494 SJFSAAVIMSRSMH-QGZVFWFLSA-N 280.371 3.757 0 40 CHAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1ccccc1F 79488235 XUYQUHGGHRWMMJ-UHFFFAOYSA-N 295.317 3.832 0 40 CHAB Cc1nccn1C[C@H](C)COc1ccc(F)cc1Cl 95455656 GQDLOQWHMXEIJA-JTQLQIEISA-N 282.746 3.699 0 40 CHAB CC(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 96654334 BYJDLDCBQRPYPG-UHFFFAOYSA-N 291.709 3.934 0 40 CHAB FC(F)(F)[C@H]1C[C@H](c2ccccc2)Nc2ccnn21 100774107 RKHNOQLBCDXICF-GHMZBOCLSA-N 267.254 3.543 0 40 CHAB CCN(C(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C)c1ccccc1 100892194 XESKLOIXNRTXCD-RTBURBONSA-N 299.414 3.825 0 40 CHAB Cc1nc(C)c(CNc2ccc(C(F)(F)F)cn2)s1 195575488 HOZBSVFSBTWGKK-UHFFFAOYSA-N 287.310 3.786 0 40 CHAB Cc1c(C(=O)O)c2ccccc2n1C(=O)Cc1ccccc1 216951642 PTAFDDVWXMCDNW-UHFFFAOYSA-N 293.322 3.531 0 40 CHAB Cc1ccccc1[C@@H]1CCN(C(=O)C2CCC2)CCS1 219285171 QOHZIGIRJNWIJY-INIZCTEOSA-N 289.444 3.802 0 40 CHAB O=C(CCc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 225302843 JAHQWKVZZZYOAN-GZBFAFLISA-N 277.795 3.577 0 40 CHAB CCN(CC)c1ccc(NC(=O)c2ccc(N)cc2)c(C)c1 226272317 KVCOPTHGPIXGJQ-UHFFFAOYSA-N 297.402 3.676 0 40 CHAB Clc1ccc2nc(N3C[C@H]4CCC[C@@H]4C3)oc2c1 1889119594 UYRIVZYJALFLLU-NXEZZACHSA-N 262.740 3.718 0 40 CHAB CC(C)c1ccc(NC(=O)N(C)CCc2ccccn2)cc1 43192414 DSMVSAZHQWHXKC-UHFFFAOYSA-N 297.402 3.911 0 40 CHAB COc1ccc(-c2sccc2[C@H](C)C(=O)O)cc1 825974 SDFFXHKBRZGJDW-VIFPVBQESA-N 262.330 3.612 0 40 CHAB Cc1cccc(C(=O)c2ccc(C3OCCO3)cc2)c1C 43212647 UVZDYYYYEIDHTK-UHFFFAOYSA-N 282.339 3.580 0 40 CHAB Cc1ccccc1Cn1ccc(-c2ccc3c(c2)OCO3)n1 1394866 UUVULZXBTFNMMT-UHFFFAOYSA-N 292.338 3.636 0 40 CHAB CC(=O)[C@@H](C)Sc1ccccc1Br 35046880 HTWVXDHXHMGQOX-MRVPVSSYSA-N 259.168 3.519 0 40 CHAB C[C@H](C(=O)O)c1cccc2c(=O)cc(-c3ccccc3)oc12 6437430 BWYAJVAESQFWLH-NSHDSACASA-N 294.306 3.648 0 40 CHAB CN(C(=O)c1ccsc1)c1nc2ccccc2s1 26964434 OYDHWWKQAMPVCJ-UHFFFAOYSA-N 274.370 3.634 0 40 CHAB Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 35663618 MVANZAASCRDJTJ-UHFFFAOYSA-N 271.707 3.658 0 40 CHAB in-vitro CCN(CC)C(=O)C[C@H](c1ccc(OC)cc1)C(C)C 2212117 ZLUYGCPLVIUJGM-INIZCTEOSA-N 277.408 3.693 0 40 CHAB C[C@H]1CCc2noc(NC(=O)c3ccccc3Cl)c2C1 11914811 GBLRHPXZVYFNEH-VIFPVBQESA-N 290.750 3.705 0 40 CHAB O=C(CCc1cccs1)Nc1ccc(-n2ccnc2)cc1 29917538 PPPKLKKBFBMEFV-UHFFFAOYSA-N 297.383 3.505 0 40 CHAB O=[S@@](C1=C[C@@H]2C[C@@H]1C1=C2[C@H]2C=C[C@H]1C2)c1ccccc1 101037612 XDWNQKXWIIDWPR-MROOZSAMSA-N 280.392 3.830 0 40 CHAB CCCc1ccc2oc(C(=O)NCC(F)(F)F)c(C)c2c1 12004374 LOARXCPFYJMNSB-UHFFFAOYSA-N 299.292 3.986 0 40 CHAB COc1cc(Cl)c(NC(=O)[C@H]2CC=CCC2)cc1OC 12728061 HSDMCPGDZZJSMD-JTQLQIEISA-N 295.766 3.652 0 40 CHAB c1csc(-c2nc(N3CCCC3)c3ccccc3n2)c1 3363780 AYKAXSYFCQJMOR-UHFFFAOYSA-N 281.384 3.959 0 40 CHAB Cc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1 10748778 CKYQVXIRWRWXAO-UHFFFAOYSA-N 287.790 3.897 0 40 CHAB C[C@H]1C[C@H]1C(=O)Nc1ccccc1Cc1ccccc1 3430442 OSRMXWWRQQNAAP-XJKSGUPXSA-N 265.356 3.872 0 40 CHAB O=C(Nc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 5262986 KMMPURWFCWZDAD-UHFFFAOYSA-N 295.386 3.718 0 40 CHAB CC(C)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 6372456 SGWAGROEGZFJMH-UHFFFAOYSA-N 287.334 3.967 0 40 CHAB CCc1cccc(Nc2ncnc3sccc23)c1 6910854 QKKBMCOFSNRNEI-UHFFFAOYSA-N 255.346 3.997 0 40 CHAB Cc1cc(-c2nnc(CN(C)c3ccccc3)o2)c(C)o1 7115494 FJNMZDMTGNZQPG-UHFFFAOYSA-N 283.331 3.583 0 40 CHAB CCn1cc(NC(=O)Nc2ccc(C)cc2Cl)cn1 72270555 JXZYPAYJFRSHDD-UHFFFAOYSA-N 278.743 3.509 0 40 CHAB C[C@@H]1CCCCN1Cc1ccc(Br)cc1 9998195 OBBKUSZEBQMHCN-LLVKDONJSA-N 268.198 3.824 0 40 CHAB CC[C@@H](C)n1cc(Br)c(COC(C)C)n1 408715971 HIRTZSURIAXWQS-SECBINFHSA-N 275.190 3.542 0 40 CHAB CN(C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72212623 GETLSQLLUGEROE-GOSISDBHSA-N 295.430 3.875 0 40 CHAB CC(C)Sc1ncccc1[C@@H]1CCCCN1C 72217555 FNIBCIMPRIXSHM-ZDUSSCGKSA-N 250.411 3.739 0 40 CHAB O=C(O)c1ccc(OCc2ccc3ccccc3c2)cc1O 216932811 CEVDUJFGMCQOMB-UHFFFAOYSA-N 294.306 3.823 0 40 CHAB F[C@]1(Br)[C@H]2[C@H]3[C@H]4C=C[C@@H]([C@@H]3C3(CC3)[C@H]21)C41CC1 72336279 PQVHWNNEXXKKEF-YSPTXRCDSA-N 295.195 3.915 0 40 CHAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 225605233 PREKCLQUVVHTNT-QGZVFWFLSA-N 293.407 3.865 0 40 CHAB Cc1cccc([C@H](NC(=O)C2CC2)c2ccccc2)c1 225385330 WASJKVJMPHZHQE-QGZVFWFLSA-N 265.356 3.611 0 40 CHAB CC[C@@H]1CCCCN1Cc1nnc(-c2ccccc2)o1 48343676 DGKZDNSILYXDDX-CQSZACIVSA-N 271.364 3.501 0 40 CHAB O=S(=O)(O)c1ccc(-c2ccccc2)c2ccccc12 196466929 MDGJSRRHJSFEMW-UHFFFAOYSA-N 284.336 3.754 0 40 CHAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 224806166 MJJCLWKNPPVMGV-LLVKDONJSA-N 291.753 3.899 0 40 CHAB O=Cc1c[nH]c2cc(C(F)(F)F)c(Br)cc12 91293248 FGNITOSPWGXEDS-UHFFFAOYSA-N 292.054 3.762 0 40 CHAB Cc1ccc([C@@H](C)NCc2ccnc(OCC3CC3)c2)o1 95422233 OHCTURDAEIULBM-CYBMUJFWSA-N 286.375 3.623 0 40 CHAB CCCCOc1cc(C(=O)C(F)(F)F)ccc1C 95732824 DARQIDQQMAPGAW-UHFFFAOYSA-N 260.255 3.919 0 40 CHAB O=C(COc1ccccc1)c1ccc(OC(F)(F)F)cc1 379153827 JQLFTVGGHNZGDY-UHFFFAOYSA-N 296.244 3.847 0 40 CHAB CCc1csc(NC(=O)c2ccc(-c3cnco3)cc2)n1 69918165 KBGQEGVHGHXNBV-UHFFFAOYSA-N 299.355 3.613 0 40 CHAB CC(C)C[C@@H](NC(=O)c1ccc[nH]1)c1ccccc1 57897274 SGHSNIDYWZAMNQ-OAHLLOKOSA-N 256.349 3.532 0 40 CHAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccncc1F 84077403 XMJRRKDLEHBOJL-UHFFFAOYSA-N 288.322 3.610 0 40 CHAB FC(F)(F)CCN(Cc1cscn1)C1CCCC1 84681946 RUHKAMZIOKEJLN-UHFFFAOYSA-N 278.343 3.840 0 40 CHAB COC(OC)c1ccc(C(F)(F)C(F)(F)F)cc1 604221767 CJSYQPGBDLAKIR-UHFFFAOYSA-N 270.197 3.632 0 40 CHAB COc1c(Cl)cc(Cl)cc1CNC(C)(C)C 5817168 UCXVNBOODSBJON-UHFFFAOYSA-N 262.180 3.890 0 40 CHAB Cc1ccc(CCCNC(=O)CCc2ccccc2)cc1 13673423 LMOUGLASPCDEHP-UHFFFAOYSA-N 281.399 3.677 0 40 CHAB Cc1noc(C)c1C(=O)N[C@@H](CC(C)C)c1ccccc1 21835656 VLXMSKAARCHOEX-HNNXBMFYSA-N 286.375 3.809 0 40 CHAB O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(F)c(F)c1 31536674 FOUTWWHZEKTDSP-UHFFFAOYSA-N 299.280 3.607 0 40 CHAB Cc1cc(C)cc(Oc2cc(CNC(=O)C3CC3)ccn2)c1 32930419 OJTREDDUITYHKM-UHFFFAOYSA-N 296.370 3.517 0 40 CHAB O=C(NCCSc1ccccc1)c1ccc2cc[nH]c2c1 33220908 BSPRGNYTJUCNMT-UHFFFAOYSA-N 296.395 3.690 0 40 CHAB CSc1nc(N)c2c3c(sc2n1)CSC(C)(C)C3 548631 VIKUOQYEDRKMGI-UHFFFAOYSA-N 297.474 3.563 0 40 CHAB COc1ccc(F)cc1C(=O)Nc1cccc2ncccc12 23447416 AWJNTKCKPVOWHC-UHFFFAOYSA-N 296.301 3.635 0 40 CHAB CC(C)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2C)cc1 54426346 GXSMCWZPRQXMDS-KRWDZBQOSA-N 296.370 3.670 0 40 CHAB Nc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 56268 WXZXJRUJZLMJNO-UHFFFAOYSA-N 297.749 3.577 0 40 CHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1O 139684 DEGBTUMOZWTMIR-UHFFFAOYSA-N 282.126 3.951 0 40 CHAB O=C(c1ccccc1)[C@H](Cc1ccccc1)N1CCCCC1 1555404 PEARTEASXPIIQB-IBGZPJMESA-N 293.410 3.967 0 40 CHAB CCC1=C(C)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C1 1721520 PENYLLAPQCWEOG-MRXNPFEDSA-N 287.403 3.733 0 40 CHAB CC(C)Cn1cnc2scc(-c3ccccc3)c2c1=O 1939618 AEPNWZJOLJDOMI-UHFFFAOYSA-N 284.384 3.781 0 40 CHAB CC(=O)c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 3499965 PTTZBRLZSZCCNI-UHFFFAOYSA-N 297.354 3.524 0 40 CHAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2)cc1 3536859 WUAUXONERWRRTL-CYBMUJFWSA-N 284.359 3.524 0 40 CHAB CC[C@H]([C@H]1CCc2cc(O)ccc2C1)C(C)(C)C(=O)O 3850160 FZDIDIIEUWBRMV-DZGCQCFKSA-N 276.376 3.634 0 40 CHAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](N)(=O)c1ccccc1 3865641 JEIUEGUEQPISEY-WRXMGDCGSA-N 295.363 3.941 0 40 CHAB C[C@@H](Cc1ccccc1)NCCCc1ccccc1 3874850 CYWPIEBWQAZHQX-INIZCTEOSA-N 253.389 3.840 0 40 CHAB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccccc3O)[C@@H]1[C@H]2C 4027123 YHPKSMCKTAILCI-XIOFJVBYSA-N 258.361 3.928 0 40 CHAB c1ccc(-c2n[nH]c(-c3cccnc3)c2-c2ncc[nH]2)cc1 5264539 UBAGEXOAILHTOK-UHFFFAOYSA-N 287.326 3.529 0 40 CHAB CCc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 5465505 QIOPKSGKSCWSRO-UHFFFAOYSA-N 285.343 3.519 0 40 CHAB CCOc1cc(C=O)cc(Cl)c1O[C@@H](C)CC 5656384 MBTHYQHISPKHEG-VIFPVBQESA-N 256.729 3.729 0 40 CHAB Cc1cc2oc(=O)cc(CN3CCC[C@@H](C)C3)c2cc1C 6649640 XDNFGCLPQDYKNR-GFCCVEGCSA-N 285.387 3.642 0 40 CHAB Cc1c(C)n(-c2ccccn2)c2ncnc(NCC(C)C)c12 6661167 MGHWSKMVIRNQCX-UHFFFAOYSA-N 295.390 3.500 0 40 CHAB O=C(Nc1cccc2cccnc12)c1ccc(F)cc1F 7671346 KOMNVGGMKUBXRO-UHFFFAOYSA-N 284.265 3.765 0 40 CHAB Clc1cccc(CNc2ncnc3sccc23)c1 8148348 CBAGXKVPRBROTD-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB CCN(CC)c1ccc(NCc2cccnc2)cc1 8701105 GXXUQUULXALAKO-UHFFFAOYSA-N 255.365 3.540 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 8755334 CWEAYIAZUNSXCJ-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB O=C(Nc1ccccc1O)c1ccc2ccccc2c1 9478286 CAWPAKCXEXJARL-UHFFFAOYSA-N 263.296 3.798 0 40 CHAB O[C@H](Cc1nc2ccccc2n1C(F)F)c1cccs1 12541338 HANGFVPJJFQQHA-LLVKDONJSA-N 294.326 3.769 0 40 CHAB Cc1cccc(NC(=O)CC2(C(=O)O)CCCCC2)c1C 13249849 SPEYUBZSYHHXLI-UHFFFAOYSA-N 289.375 3.667 0 40 CHAB Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCCO2)cc1 14020524 RPOQEWQEZVLUKI-QGZVFWFLSA-N 297.354 3.905 0 40 CHAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 16310809 HLLMKAGHNZRMKS-TTZDDIAXSA-N 289.444 3.780 0 40 CHAB COc1ccccc1[C@H](C)NC(=S)Nc1ccccc1 16317340 IAFYATQBLDNFGG-LBPRGKRZSA-N 286.400 3.743 0 40 CHAB C[C@H]1CCCN(C(=O)c2cc(Cl)nc3ccccc23)C1 16642022 ZQNJUFVNBYBWIU-NSHDSACASA-N 288.778 3.760 0 40 CHAB CCO[P@@]1(=O)C=C(C)N(C)[C@@H]1c1ccccc1 16688045 QOLMNTZCLSEOSB-GUYCJALGSA-N 251.266 3.807 0 40 CHAB Cc1ccc(C)c(CC(=O)Nc2c(F)cccc2F)c1 20045705 JRLQMTCHPZSMEQ-UHFFFAOYSA-N 275.298 3.763 0 40 CHAB FC(F)(F)c1cc(-c2cccs2)nnc1Cl 20285813 ZTUUHGNBFYQYSK-UHFFFAOYSA-N 264.659 3.877 0 40 CHAB CCCCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 20609865 NLXNMBFQSRPVMV-UHFFFAOYSA-N 294.358 3.549 0 40 CHAB Cc1noc(NC(=O)c2ccccc2)c1-c1ccccc1 20636197 JIFDQANMPZGOIT-UHFFFAOYSA-N 278.311 3.902 0 40 CHAB COc1ccccc1[C@H](C)NC(=O)CCc1ccsc1 24648314 WTFJKHDNSMYPHL-LBPRGKRZSA-N 289.400 3.567 0 40 CHAB Cc1ccc(Nc2nnnn2-c2ccc(Cl)cc2)c(C)c1 27027505 OFMQOQCWIUKMQA-UHFFFAOYSA-N 299.765 3.676 0 40 CHAB C/C=C1/C=C[C@H]2c3[nH]c4ccccc4c3CCN2C1 31719766 YTLKUODXBRCFIU-BTZHOCJJSA-N 250.345 3.583 0 40 CHAB Cc1c(Cl)cccc1NC(=O)OCC(F)(F)F 32628768 NALORJFUWIEXBQ-UHFFFAOYSA-N 267.634 3.759 0 40 CHAB in-vitro CCC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1 32795117 UGGBRVZKTIFJEN-MNOVXSKESA-N 268.788 3.889 0 40 CHAB Cc1cc(CNC(=O)c2c[nH]c3ccccc23)ccc1F 32865698 SCGVDXWRJWNIMP-UHFFFAOYSA-N 282.318 3.545 0 40 CHAB Cc1cc(C)c(C(=O)COc2ccccc2)cc1C 35183884 CAZFPMKIPFNIDF-UHFFFAOYSA-N 254.329 3.874 0 40 CHAB Cc1csc(S[C@H](C)C(=O)c2ccc(F)cc2)n1 35184877 NSYSZBWGOMRGLR-SECBINFHSA-N 281.377 3.954 0 40 CHAB Cc1c(Cc2ccccc2)sc2[nH]c(=S)[nH]c(=O)c12 36644078 DCOGCUSVIJKDIX-UHFFFAOYSA-N 288.397 3.546 0 40 CHAB COc1cc(C(=O)OC2CCCCC2)cc(OC)c1C 40047138 BYKOWPBBCDTPEI-UHFFFAOYSA-N 278.348 3.502 0 40 CHAB O=C(c1ccc(F)c(F)c1)N1CCCc2ccc(F)cc21 40117262 BXOHTWXLMFPFJP-UHFFFAOYSA-N 291.272 3.697 0 40 CHAB CC[C@H](C)c1ccc(OCC[C@@H]2CCCNC2)cc1 42773218 QRBPPUWAVHFXJH-GJZGRUSLSA-N 261.409 3.969 0 40 CHAB O=C(NCc1ccc(Cl)s1)N1CCc2ccccc21 43229207 WQKLDALKFGIZCW-UHFFFAOYSA-N 292.791 3.674 0 40 CHAB CCc1cccc(NC(=O)N[C@@H](C)c2ccncc2)c1 43333771 MWJFBNBOQBHCAC-LBPRGKRZSA-N 269.348 3.527 0 40 CHAB Cc1ccc(CN(C)C(=O)c2ccc(Cl)cc2)cc1 44904149 RXKLNXMWWRETRD-UHFFFAOYSA-N 273.763 3.921 0 40 CHAB Cc1ncsc1C(=O)N[C@@H](c1cccs1)C(C)C 46764693 XZDVEPRDXSNYGR-LLVKDONJSA-N 280.418 3.640 0 40 CHAB CC(C)=C[C@H]1[C@H](C(=O)N(C)Cc2ccccc2)C1(C)C 53459057 CZVGRXXWFAQPQU-JKSUJKDBSA-N 271.404 3.883 0 40 CHAB C[C@H](Sc1ccccn1)C(=O)c1cc(F)ccc1F 69527882 XVGLXFZFXCJXDR-VIFPVBQESA-N 279.311 3.723 0 40 CHAB Cc1ccc(N[C@@H](C)c2cc(F)ccc2F)cc1C(N)=O 71902687 BRBTYVPVJQHBLJ-JTQLQIEISA-N 290.313 3.545 0 40 CHAB CCCN1CCCC[C@H]1c1cnc(S)c(C)c1 72218279 YFOJOXFZSTVKJS-ZDUSSCGKSA-N 250.411 3.616 0 40 CHAB CC[C@H](N)c1cnc(N2CCCc3ccccc32)c(C)c1 72222880 SEPNNMCUHQNCPH-INIZCTEOSA-N 281.403 3.884 0 40 CHAB Cc1cc(Cl)cc2nc(-c3cccc(N)c3)[nH]c12 73633938 SYEJQLLOQUICSW-UHFFFAOYSA-N 257.724 3.774 0 40 CHAB O=C(O)c1[nH]ccc1-c1ccc(Cl)cc1Cl 76302115 ZNHOHWZKLGVIBK-UHFFFAOYSA-N 256.088 3.687 0 40 CHAB CC(C)[C@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 79070422 NFIQJVPDWVDDDO-GOEBONIOSA-N 289.444 3.522 0 40 CHAB Nc1cccc(Oc2ccc(Br)cc2)c1 80264340 PJEZMYSADPVVHF-UHFFFAOYSA-N 264.122 3.824 0 40 CHAB CCCc1nc(C)c(NC(=O)OC(C)(C)C)s1 95883634 AVEWTPGBTKRNAR-UHFFFAOYSA-N 256.371 3.751 0 40 CHAB COc1cccc(OC)c1C(=O)c1ccc(Cl)c(F)c1 95916267 GJHLJKAGAMMIGD-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB Cc1cccc(N2C(=O)[C@H]3CC[C@](C)(C2=O)C3(C)C)c1C 100284117 OSVKRYJQZURXKY-FZKQIMNGSA-N 285.387 3.619 0 40 CHAB FC(F)(F)C1CCN(c2nc3ccccc3o2)CC1 172785678 VLKWCRRWKKCDIL-UHFFFAOYSA-N 270.254 3.607 0 40 CHAB O=C(O)c1ccnc([C@@H]2CCCC23SCCCS3)c1 217630523 UIQDINZCNOLIRN-NSHDSACASA-N 295.429 3.614 0 40 CHAB O=C(Nc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1 224054911 XQDWILGLVTWBTB-UHFFFAOYSA-N 297.745 3.778 0 40 CHAB CC[C@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225273233 WLVJOZCTRZZAIX-NSHDSACASA-N 266.410 3.559 0 40 CHAB CCCOC(=O)c1cc(N)ccc1Nc1ccccc1C 225462440 FVSRTFFMAPAIAF-UHFFFAOYSA-N 284.359 3.888 0 40 CHAB CCc1nc2cc(C(=O)Nc3ccc(C)cc3)ccc2n1C 225896186 WGDLOXBTYGRNQM-UHFFFAOYSA-N 293.370 3.696 0 40 CHAB O=Cc1cc(F)c(OCc2ccccc2)c(Cl)c1 258046103 QUGVZKFNXQQLGE-UHFFFAOYSA-N 264.683 3.871 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CCC2)CCN1 306145926 WCSZPYZDNGOPIG-KRWDZBQOSA-N 288.391 3.559 0 40 CHAB CC[C@@H](C(=O)c1ccc(C(=O)OC)cc1)c1ccccc1 575362550 XHWAXRNDHCEBIQ-MRXNPFEDSA-N 282.339 3.850 0 40 CHAB CCN(C(=S)NC(=O)c1ccc(C)cc1)c1ccccc1 359047 NQMXUFQUFKHHPH-UHFFFAOYSA-N 298.411 3.536 0 40 CHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(O)c2)c(C)c1 364872 OQSGVSKXOHSNIA-CQSZACIVSA-N 299.370 3.723 0 40 CHAB CCOP(=O)(OCC)[C@@H](CC(C)=O)c1ccco1 2294380 DXJZKDZLNVZSCN-LBPRGKRZSA-N 274.253 3.566 0 40 CHAB Cc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1C 2616534 CUAOFAMUFRUOTR-UHFFFAOYSA-N 278.355 3.966 0 40 CHAB C[C@@H](O)CN1c2ccccc2Sc2ccccc21 3593541 OOARYLWNROHOKX-LLVKDONJSA-N 257.358 3.670 0 40 CHAB in-vitro CC(C)(C)C(=O)Nc1ccccc1OC(F)(F)F 4051270 KPQLFQHZDUBQHH-UHFFFAOYSA-N 261.243 3.570 0 40 CHAB CCOC(=O)/C(=C/c1cccc(Cl)c1)N(CC)CC 5810983 QJQWJWBCJJHSDE-KAMYIIQDSA-N 281.783 3.586 0 40 CHAB Cc1ccc(C(=O)NCc2cccc(Cl)c2)c(C)c1 5938072 NBJVMEZACYZXLQ-UHFFFAOYSA-N 273.763 3.887 0 40 CHAB Cc1cc(C)c(NC(=O)COc2ccc(F)cc2)c(C)c1 7651786 GWXLKACJPRWRJY-UHFFFAOYSA-N 287.334 3.768 0 40 CHAB Cc1cccnc1NC(=O)CCc1ccc(Cl)cc1 9468451 FITWCRVNFJBJIZ-UHFFFAOYSA-N 274.751 3.615 0 40 CHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)o1 11565817 SBGITNJTYSVSPK-JTQLQIEISA-N 292.718 3.670 0 40 CHAB Cc1ccsc1C(=O)Nc1ccc(F)cc1F 12615138 JPBGIDKBYWNJMW-UHFFFAOYSA-N 253.273 3.587 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CC[C@H]2CCCC[C@H]2C1 16400802 VGTBJPHCCSPXEH-OCCSQVGLSA-N 277.795 3.992 0 40 CHAB C[C@H](c1ccccc1)N(C)C(=O)Cc1c[nH]c2ccccc12 18124628 QWNGHIOWQDXLLU-CQSZACIVSA-N 292.382 3.930 0 40 CHAB Cc1ccc([C@@H](C(=O)O)c2ccc(Cl)cc2)cc1 19675602 OPUMJIWTLRPCCA-CQSZACIVSA-N 260.720 3.865 0 40 CHAB COc1ccc(OC)c(NC(=O)Cc2cc(C)ccc2C)c1 20455584 IJLZUXJXBHRGLP-UHFFFAOYSA-N 299.370 3.502 0 40 CHAB C[C@@H](NC(=O)NC1CCCC1)c1ccccc1Cl 20538701 MQDOXYAHNZDBJF-SNVBAGLBSA-N 266.772 3.643 0 40 CHAB CC(C)(C)OC(=O)CNC(c1ccccc1)c1ccccc1 22049786 ZWWNPSADOUWQRL-UHFFFAOYSA-N 297.398 3.707 0 40 CHAB in-vitro COc1ccc(C(=O)Nc2cccc3ncccc23)cc1F 22975640 JJWDLMAWVXSPGZ-UHFFFAOYSA-N 296.301 3.635 0 40 CHAB Cc1ccc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 26898233 NVIJVXNNTYDESK-OAHLLOKOSA-N 290.407 3.806 0 40 CHAB CSc1ccccc1NC(=O)c1ccc(F)c(F)c1 28210809 JXFHVLYIPWVKNG-UHFFFAOYSA-N 279.311 3.939 0 40 CHAB Cc1ccccc1NC(=O)c1ccc2cc[nH]c2c1 32478479 BCTFZKFNAXEEPB-UHFFFAOYSA-N 250.301 3.729 0 40 CHAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc(C)c2)cc1 38773202 PGCRNYIFJIQZCF-INIZCTEOSA-N 297.398 3.729 0 40 CHAB Clc1nc(NCc2cccs2)c2ccccc2n1 38816137 CVAMKMNWQVMRDG-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB C[C@H](Sc1nncn1C1CC1)c1ccc(F)cc1 40038995 MGCNWSLDDIWVNF-VIFPVBQESA-N 263.341 3.605 0 40 CHAB CC(C)c1ccc2cc(C(=O)Nc3cccnc3)[nH]c2c1 40069961 NGXQTFVUDUQWQS-UHFFFAOYSA-N 279.343 3.939 0 40 CHAB CC(C)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 40504385 NWEFUGLHAHEDPS-SECBINFHSA-N 259.271 3.539 0 40 CHAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H]1CC=CCC1 44909045 HWXMJIPGSFRNAD-ZIAGYGMSSA-N 273.376 3.571 0 40 CHAB Cc1cccnc1C(=O)c1c(Cl)cccc1Cl 45028697 HVYHVAHFXWMPBZ-UHFFFAOYSA-N 266.127 3.928 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 45204756 IGGVVPUTYUSMEG-CDJLDAARSA-N 275.436 3.898 0 40 CHAB Cc1ccc(CNC(=O)C[C@@H](C)c2ccccc2)s1 48331709 UZXMKGMKCXWKNL-GFCCVEGCSA-N 273.401 3.867 0 40 CHAB Cc1ccc(C)c(N(C)Cc2nnc(-c3ccccc3)o2)c1 54273201 KNLAOIFXMNKLEY-UHFFFAOYSA-N 293.370 3.990 0 40 CHAB O=C(c1cccc2[nH]ncc12)N(CC1CCCCC1)C1CC1 65655176 ZVZJULVEHRWHQM-UHFFFAOYSA-N 297.402 3.748 0 40 CHAB COCc1ccccc1C(=O)Nc1cc(F)c(F)cc1F 69970646 UAFNDUMLBHOMHE-UHFFFAOYSA-N 295.260 3.503 0 40 CHAB O=C(Nc1ccccc1)Nc1cccc2[nH]ccc12 71847160 VRCRQVJVEDPLFZ-UHFFFAOYSA-N 251.289 3.812 0 40 CHAB O=C(Cc1cccs1)N1CC=C(c2cccs2)CC1 71910462 PPXYTXFKDMXCBW-UHFFFAOYSA-N 289.425 3.668 0 40 CHAB CN(c1ccccc1)c1ccc([C@@H]2CCCCN2C=O)cn1 72214230 MDRRNFAIMCPPAO-KRWDZBQOSA-N 295.386 3.533 0 40 CHAB c1ccc(Sc2ccc([C@H]3CCCN3)cn2)cc1 72217584 ULKKYRQOXQEGNH-CQSZACIVSA-N 256.374 3.657 0 40 CHAB CCCCN1CCCC[C@H]1c1cnc(N(C)C)cc1C 72218705 FXSICGKCPXRCTN-INIZCTEOSA-N 275.440 3.783 0 40 CHAB CC(C)c1ccc2oc(=O)c3c(N)scc3c2c1 72220107 KDEGHLMYRBYLFW-UHFFFAOYSA-N 259.330 3.713 0 40 CHAB CSc1ccc(-c2cc(=O)c3cc(O)ccc3o2)cc1 72325359 IWVUZJFFOKPQLJ-UHFFFAOYSA-N 284.336 3.888 0 40 CHAB biogenic Cc1noc(C)c1CN1c2ccccc2SC[C@@H]1C 75106323 RNZYZVYBIUEMLI-JTQLQIEISA-N 274.389 3.792 0 40 CHAB Cc1cc(C)n(CC2CCN(Cc3ccccc3C)CC2)n1 75154720 QBTOCGGXSZGTGU-UHFFFAOYSA-N 297.446 3.721 0 40 CHAB CCn1cc(CNc2cccc(-c3nccs3)c2)cn1 89306066 VETQXWKZSHDQBG-UHFFFAOYSA-N 284.388 3.639 0 40 CHAB CN(C(=O)COC1CCCCC1)c1cccc2ncccc12 89844751 FRCWHPFXDQDFAN-UHFFFAOYSA-N 298.386 3.547 0 40 CHAB Cc1ccc([C@@H]2C[C@@H]2c2nc(COC(C)C)no2)s1 95394423 RTHJZTRPLMPESV-MNOVXSKESA-N 278.377 3.636 0 40 CHAB Cc1ccc(C(=O)c2ccc(N(C)C)cc2)c(C)c1 95916819 AZMOCWIGLVBIET-UHFFFAOYSA-N 253.345 3.600 0 40 CHAB COc1cccc(F)c1C(=O)c1cc(C)c(C)cc1C 95917374 BUDFKPCGGMTWBI-UHFFFAOYSA-N 272.319 3.991 0 40 CHAB Clc1ccc([C@H](NC2CCCCC2)c2ncon2)cc1 95988537 CERNXHONECVQEG-AWEZNQCLSA-N 291.782 3.735 0 40 CHAB Cc1cc(N(C)C)cc(C)c1NC(=O)N(C)[C@H](C)C1CC1 97229556 ALVVAVSYYPQASO-CYBMUJFWSA-N 289.423 3.632 0 40 CHAB CCc1ccc([C@H](C)N[C@@H]2CCO[C@@]3(CCSC3)C2)o1 110704197 ZZDNZXRLQJBYGM-ZENOOKHLSA-N 295.448 3.547 0 40 CHAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CCC2=O 118933324 GATQSSNSIBFJTG-MAAVVYDCSA-N 290.447 3.959 0 40 CHAB COC(=O)[C@H](C)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223193077 DGANVYFZCVIYCA-AWEZNQCLSA-N 287.403 3.867 0 40 CHAB CC(C)COc1cccc([C@H](C)NC[C@H]2CCCO2)c1 225167758 BDFLIQKTEPIHFU-WMLDXEAASA-N 277.408 3.551 0 40 CHAB CCc1ccc(CC(=O)N[C@H](C)c2ccccc2C)cc1 225419446 JEUCGUJFRAQVNK-OAHLLOKOSA-N 281.399 3.977 0 40 CHAB CC[C@@H](C)n1ccc(NCc2ccc(F)s2)n1 256050756 GJCDOHUFSKFSPF-SECBINFHSA-N 253.346 3.667 0 40 CHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCC1 257223959 DZRLMZJQXOFCSN-UHFFFAOYSA-N 290.363 3.540 0 40 CHAB Cc1nnc(N2CCC(C(F)(F)F)CC2)c2ccccc12 2086861445 OJSLNCYBKGURON-UHFFFAOYSA-N 295.308 3.717 0 40 CHAB CCC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12 531344 TVSOKWBIVGZISH-UHFFFAOYSA-N 296.374 3.589 0 40 CHAB CCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 975714 DLWZQPVPSMYGCG-FLIBITNWSA-N 281.764 3.786 0 40 CHAB O=C(Nc1ccccc1)c1cccn1-c1ccccc1 1561930 YVKKTVSGHDYZOR-UHFFFAOYSA-N 262.312 3.730 0 40 CHAB COc1ccc(OC(=O)Nc2cccc(Cl)c2)cc1 1739648 VRYZEPACKFGVNX-UHFFFAOYSA-N 277.707 3.960 0 40 CHAB O=C(Nc1ccc2c(c1)OCO2)c1cc2ccccc2s1 5240407 GEBJMCGVYKWTNH-UHFFFAOYSA-N 297.335 3.882 0 40 CHAB COc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2 5612483 SDDFRRUVKINZFF-UHFFFAOYSA-N 299.414 3.641 0 40 CHAB CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@](C)(O)C2=O 5641320 LEFXKTBEJJFWRN-KRWDZBQOSA-N 276.376 3.565 0 40 CHAB O=C(Nc1ccccc1OC(F)F)[C@@H]1CC=CCC1 9217729 TXOHEGQHQQGRNY-SNVBAGLBSA-N 267.275 3.583 0 40 CHAB CCC(CC)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 9421741 FORQTEDOQVKZPK-UHFFFAOYSA-N 299.418 3.705 0 40 CHAB CCN(Cc1cccs1)C(=O)Nc1ccccc1 9513013 IWTOYAKVNFEXOK-UHFFFAOYSA-N 260.362 3.802 0 40 CHAB CCCCN1C(=O)C2=C(CCCC2)[C@H]1SCCC 9762150 FXOVIZHYYOJNNU-OAHLLOKOSA-N 267.438 3.969 0 40 CHAB CC(C)Nc1nnc(SCc2ccc(F)cc2)s1 9922020 LIMRQIYFMUUACK-UHFFFAOYSA-N 283.397 3.790 0 40 CHAB Cc1ccc(S[C@@H](Cc2ccccc2)C(=O)O)cc1 11692837 JZLJWNGGZNBHHR-HNNXBMFYSA-N 272.369 3.783 0 40 CHAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)o1 12784796 MHSSRHNKVVIFAL-GHMZBOCLSA-N 289.297 3.747 0 40 CHAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1O 12851316 CUUKNNUUJXKGSN-ZDUSSCGKSA-N 299.370 3.923 0 40 CHAB CC(C)/N=c1\ccccn1C(=O)c1ccc(C(C)C)cc1 12916922 MGALMYJYFHRWCK-HTXNQAPBSA-N 282.387 3.609 0 40 CHAB O=C(O)c1ccc(CSCc2ccccc2)cc1 13354351 LBGDPSCCSAPLLM-UHFFFAOYSA-N 258.342 3.818 0 40 CHAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1C 13582250 PWDFTUPFFIAXOA-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB O=C(N[C@H]1CCc2ccccc21)c1cc(Cl)ccc1F 14373870 RKSRJFXDCOLVIC-HNNXBMFYSA-N 289.737 3.896 0 40 CHAB COC(=O)c1cccc(Oc2ccc(N)cc2Cl)c1 14630062 WVEUOPGHJBHUCY-UHFFFAOYSA-N 277.707 3.501 0 40 CHAB COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cn1 15302236 MCRJMGHUMXSFSZ-UHFFFAOYSA-N 297.141 3.649 0 40 CHAB Cc1ccc(OCCCC(C)(C)C(=O)O)c(C)c1 22059891 STDPGZDKUIITHU-UHFFFAOYSA-N 250.338 3.573 0 40 CHAB in-vitro CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C 25769313 MAFXNZDMVZTCFP-ZWNOBZJWSA-N 290.432 3.809 0 40 CHAB C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1 32819263 XTNGALBJROLALQ-HNNXBMFYSA-N 277.371 3.723 0 40 CHAB Cc1ccccc1/C=C1/N=C(S)N(c2ccccc2)C1=O 34927069 DWUSLSMNZCFNME-RVDMUPIBSA-N 294.379 3.669 0 40 CHAB CC(=O)CN1c2ccccc2Sc2ccccc21 39271528 VWFAVAHPOGSRSX-UHFFFAOYSA-N 255.342 3.878 0 40 CHAB in-vitro Cc1nc(C(=O)Nc2ccncc2)c(-c2ccccc2)s1 40326456 HEAVTQJWHVCGJE-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB C/C=C/C=C/C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 40512995 ACBSJPCEPINCBC-YTXTXJHMSA-N 298.308 3.842 0 40 CHAB O=C(NCc1cccs1)N(Cc1ccsc1)C1CC1 44446751 QVUJTQOTIGRYMP-UHFFFAOYSA-N 292.429 3.684 0 40 CHAB FC(F)(F)COCc1cccc(Br)c1 49600891 CAYHGRNOMHKQTG-UHFFFAOYSA-N 269.060 3.528 0 40 CHAB in-vitro CCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CCC2 58310567 JBYRETJXHOJHOL-UHFFFAOYSA-N 285.309 3.590 0 40 CHAB Brc1ccc2c(c1)CN(C1CCCCC1)CO2 58481020 JZHLJMNPLQVYBV-UHFFFAOYSA-N 296.208 3.934 0 40 CHAB COc1ccc(C)cc1[C@@H]1C[C@@H](C(=O)O)C(C)(C)[C@@H]1C 59432163 LWFAZDJFNGDVSA-BZPMIXESSA-N 276.376 3.854 0 40 CHAB Clc1ccccc1-c1nc2ccc(-n3cnnc3)cc2o1 70461329 CYTQOXGTTDSCOX-UHFFFAOYSA-N 296.717 3.729 0 40 CHAB Cc1noc(C)c1NC(=O)NCc1ccc2ccccc2c1 71857076 LODJPWAUBVGDGC-UHFFFAOYSA-N 295.342 3.766 0 40 CHAB COC(=O)c1cc2sccc2c(-c2cccc(F)c2)n1 72209389 LUFXIUBXKFYUIH-UHFFFAOYSA-N 287.315 3.889 0 40 CHAB CCOc1cc(C(=O)Nc2cccc(C)n2)cc2occc12 72240128 LEKAEVVWQBAWOO-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB O=Cc1cc(Br)c(-c2ccc(F)cc2)o1 85395522 LAANEDYPNPAFKI-UHFFFAOYSA-N 269.069 3.661 0 40 CHAB C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1Cc1cccc(O)c1 93322855 DKKSVZVVGGQGJS-VCBZYWHSSA-N 297.398 3.743 0 40 CHAB CC1=C(C)[C@@]2(C)C(C(=O)O)=C(c3ccccc3)[C@@]12C 96316022 DABIWKRIIJBOLR-SJORKVTESA-N 254.329 3.901 0 40 CHAB Cc1cncc(N[C@H](C)c2ccc(N3CCOC3=O)cc2)c1 97038333 JDJBXAZATQUNMU-CYBMUJFWSA-N 297.358 3.520 0 40 CHAB COc1cccc([C@@H](C)Nc2cnn(CC(F)(F)F)c2)c1 97038463 PYAMLFKFOURKCL-SNVBAGLBSA-N 299.296 3.627 0 40 CHAB Nc1ccccc1Nc1ccc(Br)cc1 100692315 LCLAHXCIHJAZIF-UHFFFAOYSA-N 263.138 3.775 0 40 CHAB C1CCN(C[C@H]2CO[C@@]3(CC[C@H]4CCCC[C@@H]4C3)O2)CC1 101120275 XBGMCAWJVPHBRD-BDXSIMOUSA-N 293.451 3.574 0 40 CHAB C[C@H]1CCc2c(c(-c3ccccc3)[nH]c(=S)c2C(N)=O)C1 170622685 OQLLBWVWKSATPO-JTQLQIEISA-N 298.411 3.635 0 40 CHAB CC[C@H](C(=O)O)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223197859 BBALXHGTEGPXIW-GXTWGEPZSA-N 275.392 3.950 0 40 CHAB CCCCNC(=O)c1cc(C(C)C)c(OC)cc1C 225659939 SYKVYKZPLUADFC-UHFFFAOYSA-N 263.381 3.657 0 40 CHAB CC(C)n1c(Cl)nc2cc(C(=O)NC(C)(C)C)ccc21 225987095 QUPJODBXYVWIQK-UHFFFAOYSA-N 293.798 3.799 0 40 CHAB Fc1ccc(Cc2noc(C(Cl)(Cl)Cl)n2)cc1 228944508 IZGVUXUOADXAIW-UHFFFAOYSA-N 295.528 3.626 0 40 CHAB O=C(NCc1ccc(-c2cccs2)o1)c1ccco1 575609590 YNBLQDGRVKXAII-UHFFFAOYSA-N 273.313 3.531 0 40 CHAB CC[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 311522 ZEWGFOPFDZOHAS-HNNXBMFYSA-N 257.308 3.958 0 40 CHAB O=C(C1CC=CC1)N(Cc1ccccn1)c1ccc(F)cc1 77738154 VYESMNHCWQHQLQ-UHFFFAOYSA-N 296.345 3.720 0 40 CHAB CCOC(=O)c1ccc(Sc2ccc(C)cc2)nc1 25067036 GNJMRIJQADXEOO-UHFFFAOYSA-N 273.357 3.718 0 40 CHAB CC[C@H](C(=O)O)c1ccc(OCc2ccccc2)cc1 6002091 MNSDWKQEXPQMMM-INIZCTEOSA-N 270.328 3.844 0 40 CHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(F)cc1 45950636 FBDXDBFDPGBBBL-SWLSCSKDSA-N 294.370 3.543 0 40 CHAB COc1ccc(CCC(=O)c2cc(F)cc(F)c2)cc1 2516586 FOUKUWYGDYKPSM-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB CCCCc1ccc(C(=O)CCC2OCCCO2)cc1 2581230 NYVBSFPANYZIAD-UHFFFAOYSA-N 276.376 3.755 0 40 CHAB COc1ccc(C(=O)CCc2ccccc2C)cc1 2516364 GRMSIAOXMCYUIV-UHFFFAOYSA-N 254.329 3.819 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccc(CN2CC=CC2)cc1 2514896 DQRJXPQNVVNJHP-UHFFFAOYSA-N 297.785 3.943 0 40 CHAB O=C(O)CCCCCC(=O)c1ccccc1Br 2567377 CMMPZWZOLAWOLX-UHFFFAOYSA-N 299.164 3.667 0 40 CHAB CC(=O)Nc1ccc(N[C@@H]2CCc3ccccc3C2)cc1 37187598 WZQXFKYEAGBJHY-GOSISDBHSA-N 280.371 3.614 0 40 CHAB CCCc1cc2c(s1)N[C@H](c1ccc(C)cc1)NC2=O 2738013 JBBIVNKSOKHUGR-CQSZACIVSA-N 286.400 3.863 0 40 CHAB Cc1ccc(CSCC(=O)N(C)c2ccccc2)cc1 10284966 DZLXCRJZOZAHKC-UHFFFAOYSA-N 285.412 3.891 0 40 CHAB CCc1ccccc1OCC(=O)Nc1ccc(F)cc1F 3611272 LKHGMRBXHHJWRS-UHFFFAOYSA-N 291.297 3.545 0 40 CHAB FC(F)Sc1nccc(/C=C/c2ccccc2)n1 4084937 XHMUUEVENIXHEJ-VOTSOKGWSA-N 264.300 3.962 0 40 CHAB CC(=C\c1ccco1)/C=C1/SC(=O)N(C(C)C)C1=O 409021629 QZNUTAJWKYQJEW-SMTGYRLFSA-N 277.345 3.671 0 40 CHAB CC1CCC(N2Cc3cc(Cl)ccc3OCC2=O)CC1 65184364 CDEZJMRYTLOKRT-UHFFFAOYSA-N 293.794 3.640 0 40 CHAB Cc1ccc(C)c(C(=O)NCCCOC2CCCCC2)c1 66066973 VNFFFERUQOYXRT-UHFFFAOYSA-N 289.419 3.773 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccc(Br)cc1C 5593242 TZJNTAQAOAFRSC-MRVPVSSYSA-N 270.170 3.742 0 40 CHAB CSc1ncccc1C(=O)NC1CCCCCCC1 6946041 FSQBSBRJDGKUQC-UHFFFAOYSA-N 278.421 3.646 0 40 CHAB O=C(O)c1cc(-c2cccc(F)c2)nc2ccccc12 19803135 PCKQJQMHOYYDMQ-UHFFFAOYSA-N 267.259 3.739 0 40 CHAB O=C([C@@H]1CCOC1)N1CCC[C@H]1c1cccc2ccccc12 71834711 KLUXZOJIVMEHPP-QAPCUYQASA-N 295.382 3.540 0 40 CHAB CC[C@@H](C)C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 69370817 OFBZSSPYVHDSBY-GFCCVEGCSA-N 295.810 3.508 0 40 CHAB COc1ccc(NC(=O)Nc2cccc(C)c2)c(OC)c1 9875893 ZPIDDMBDDLSKIN-UHFFFAOYSA-N 286.331 3.656 0 40 CHAB C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)C(C)(C)C 72310163 ZZVLRRCMVLQWGF-FYJFLYSWSA-N 263.356 3.780 0 40 CHAB CSc1nc(-c2ccccc2)cn1Cc1cc(C)on1 95414786 PQLIWZWMAZPHLQ-UHFFFAOYSA-N 285.372 3.617 0 40 CHAB C[C@H](NCCc1ccccc1F)c1cccnc1Cl 95419367 NJTYQHWSUCRCJZ-NSHDSACASA-N 278.758 3.767 0 40 CHAB CCc1nsc(SCc2ncc(C(C)(C)C)o2)n1 89295709 UAKSFMITCYXNDL-UHFFFAOYSA-N 283.422 3.678 0 40 CHAB Cc1noc(C)c1CCSC1=Nc2ccccc2C1 89529241 IIWNYWCAGRULHW-UHFFFAOYSA-N 272.373 3.853 0 40 CHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20042199 HPVDTEGODAYILU-AWEZNQCLSA-N 283.371 3.803 0 40 CHAB CCCC[C@H](CC)CNC(=O)COc1ccccc1C 60612958 CYMQGERKLAXDFA-HNNXBMFYSA-N 277.408 3.706 0 40 CHAB CCc1ccc(-n2nc3oc4ccccc4cc-3c2=O)cc1 33020899 VUEFKBZJDHEGIO-UHFFFAOYSA-N 290.322 3.646 0 40 CHAB CC(C)COCc1nn(CCC(F)(F)F)cc1Cl 408715314 ICMGKLJQRCSXHF-UHFFFAOYSA-N 284.709 3.662 0 40 CHAB Cc1cc2c(OCCC(C)C)cc(C(=O)O)cc2o1 72228322 MSLGPAXMGWDDQL-UHFFFAOYSA-N 262.305 3.864 0 40 CHAB COc1ccc(NC(=O)C2(C)CCCCC2)cc1OC 122117801 SBLKUQSERAQHCN-UHFFFAOYSA-N 277.364 3.613 0 40 CHAB Cc1cc(-c2cccs2)ncc1Br 536954492 QJHVZZZGIOUWRT-UHFFFAOYSA-N 254.152 3.881 0 40 CHAB COC(=O)c1cn(Cc2ccc(C)cc2)c2ccccc12 72329761 QTJLQDOFWNIESY-UHFFFAOYSA-N 279.339 3.785 0 40 CHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H](C)C1 216388420 ULKBSADSYNNOCV-CABCVRRESA-N 289.419 3.836 0 40 CHAB CC(C)CN1CCCC[C@H]1c1ccc(NC2CC2)nc1 72213801 WQVMPVZAJJTJEW-INIZCTEOSA-N 273.424 3.839 0 40 CHAB Cc1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42772199 NXNZKDQUPWVSKJ-GFCCVEGCSA-N 298.224 3.669 0 40 CHAB O=C(Cc1cccs1)NCCCc1ccc(Cl)cc1 223290054 ABPREMRIMRKTSD-UHFFFAOYSA-N 293.819 3.693 0 40 CHAB CCOc1ccccc1NC(=O)Cc1ccc(C)cc1C 224659686 IGWWGTPDDUOOSY-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CCSc1ccc(C(=O)c2ccccc2C(=O)O)cc1 84686315 MSTLXDUAQIULRH-UHFFFAOYSA-N 286.352 3.728 0 40 CHAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccc(C)cc1 224170045 BGUIEMPRSNJUQQ-OAHLLOKOSA-N 297.464 3.631 0 40 CHAB COCCCN[C@@H](C)c1ccccc1OC1CCCC1 225161460 WSUXAZJPGICAPM-AWEZNQCLSA-N 277.408 3.695 0 40 CHAB CCSc1ccc(C(=O)C(F)(F)Br)cc1 382703188 QHIVNDDYGBTZCS-UHFFFAOYSA-N 295.148 3.969 0 40 CHAB CC(C)SCCNC1(c2noc(C(C)C)n2)CCCC1 514100793 BKKZLFIHVRYFST-UHFFFAOYSA-N 297.468 3.694 0 40 CHAB CCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O 397473 FJCQSNRTMHICQQ-UHFFFAOYSA-N 276.339 3.597 0 40 CHAB Cc1cccc2sc(N3CCC(CF)CC3)nc12 1888879079 WUQNTTHPODAPBB-UHFFFAOYSA-N 264.369 3.791 0 40 CHAB CC(C)[C@H](C)NC(=S)Nc1ccc(Cl)cc1 11095298 VWRYLRFUTDHDPS-VIFPVBQESA-N 256.802 3.671 0 40 CHAB O=C1OC=C[C@H](c2ccccc2)Cc2ccccc21 13407470 LPQMUKNRTNHKEO-AWEZNQCLSA-N 250.297 3.697 0 40 CHAB CC(C)SCC(=O)Nc1ncc(-c2ccccc2)s1 36398063 BMOKSCIGDCFWHA-UHFFFAOYSA-N 292.429 3.890 0 40 CHAB Cc1ccc(C)c(Sc2ncccc2C(=O)NC2CC2)c1 12782853 NDIHVBRQCGHMBF-UHFFFAOYSA-N 298.411 3.742 0 40 CHAB Cc1ccc(SCc2nc3ccsc3c(=O)[nH]2)cc1 24696378 VNKANMNDYITYIR-UHFFFAOYSA-N 288.397 3.585 0 40 CHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)OC(C)C)c12 24777634 KXKBDQRSSBSGFU-UHFFFAOYSA-N 296.326 3.763 0 40 CHAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccccc1 11202525 DOVPCDQFTRTECH-MRXNPFEDSA-N 251.329 3.568 0 40 CHAB CCCCCNC(=O)CCCOc1ccc(C)cc1C 1913836 UFWIZPNNDZRRKF-UHFFFAOYSA-N 277.408 3.769 0 40 CHAB Cc1cc(C)c2sc(NC(=O)c3cccs3)nc2n1 17014108 BZVIVIUQHXHYMB-UHFFFAOYSA-N 289.385 3.622 0 40 CHAB COc1cc(F)c(C(=O)C2CCCCC2)cc1F 575361851 NRTOTKPIGIMJAH-UHFFFAOYSA-N 254.276 3.736 0 40 CHAB COC(=O)CCCCC(=O)c1cc(C)c(C)cc1C 575358943 LIVUGLRBWYJMFB-UHFFFAOYSA-N 262.349 3.528 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)CSc2cccs2)o1 40086614 YFAJEIGJBOQJHS-SNVBAGLBSA-N 281.402 3.619 0 40 CHAB CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CC=CCC1 40159670 POJNPAPIIRTLBA-ZDUSSCGKSA-N 293.794 3.534 0 40 CHAB Cc1noc(C)c1CSc1nccn1Cc1ccccc1 40479372 WSDSJWIPIQXHDT-UHFFFAOYSA-N 299.399 3.829 0 40 CHAB Cc1cccc(O[C@@H](C)C(=O)N2CCCc3ccccc32)c1 371489 RIHDZPQJQAAUHS-HNNXBMFYSA-N 295.382 3.742 0 40 CHAB Cc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 362048 HFWCBDOFRBJNHM-UHFFFAOYSA-N 259.736 3.578 0 40 CHAB CC(C)[C@H](CC(=O)N1CCCCC1)[C@H]1CCOC(C)(C)C1 489097 DIWJCFXHCCDHOB-HOTGVXAUSA-N 295.467 3.866 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1 579667 SNSNBINMIRPJBY-NSHDSACASA-N 275.735 3.746 0 40 CHAB CC(C)c1noc(-c2ccc(Br)cc2)n1 22121711 PCZGSFLGTDNINK-UHFFFAOYSA-N 267.126 3.623 0 40 CHAB in-vitro CC(=O)Oc1ccc(-c2nc3cc(C)ccc3o2)cc1 1208449 XIOHXVUQKRYEAC-UHFFFAOYSA-N 267.284 3.729 0 40 CHAB CC[C@H](C(=O)Nc1ccccc1CN(C)C)c1ccccc1 24809034 NWZADFDTBBTORU-KRWDZBQOSA-N 296.414 3.881 0 40 CHAB O=C(NC1CCCC1)c1cccnc1Nc1ccccc1F 1340630 XSAHKPKUHFVPBK-UHFFFAOYSA-N 299.349 3.637 0 40 CHAB Cc1cc(C)c2[nH]c(=O)c(CN[C@@H]3CCCC[C@@H]3C)cc2c1 4130495 MOVBEKVSGZJPOK-SUMWQHHRSA-N 298.430 3.813 0 40 CHAB CCc1ccc2c(CC(=O)NCc3cccs3)coc2c1 6549948 FXQRZHMJCKOOFQ-UHFFFAOYSA-N 299.395 3.916 0 40 CHAB Cc1ccc(NC(=S)NC(C)(C)C)cc1Cl 7559166 WNHYADFERJYWJY-UHFFFAOYSA-N 256.802 3.733 0 40 CHAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885927 ASMHTZXLINXPBW-QGZVFWFLSA-N 278.355 3.724 0 40 CHAB CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 57510812 AONWNIRBIDNWMK-UHFFFAOYSA-N 275.764 3.772 0 40 CHAB COc1ccccc1C(=O)NCC1(c2ccccc2)CCC1 10221290 NHEKMENBJQDDLA-UHFFFAOYSA-N 295.382 3.547 0 40 CHAB Cc1c([C@H]2[C@H](CCN)C2(C)C)c2ccccc2n1C 2111442 CSWYSAZUCZBEDB-XJKSGUPXSA-N 256.393 3.575 0 40 CHAB biogenic Cc1cc(Sc2ncccn2)ccc1NC(=O)C1CCC1 58423874 OFRDLWSPNUDEDR-UHFFFAOYSA-N 299.399 3.675 0 40 CHAB C[C@@H](O)CN(CCCc1ccccc1)c1ccccc1 84638245 VSKNLILGAIVMOT-MRXNPFEDSA-N 269.388 3.507 0 40 CHAB CCc1ccc(CCC(=O)NCc2ccccc2C)cc1 10334189 RWEMIDRAZCBACX-UHFFFAOYSA-N 281.399 3.806 0 40 CHAB COc1cc2c(cc1OC)[C@@H](/C=C/c1ccccc1)NCC2 20113675 KGEKIHDPYHWCFB-KBOKABMXSA-N 295.382 3.604 0 40 CHAB biogenic Cc1ccc(C(=O)NCCSC2CCCCC2)cc1 409026762 XJUXTEFMMWQKBY-UHFFFAOYSA-N 277.433 3.791 0 40 CHAB C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H]1C 12921367 IEEWYRIOJGULGV-IOASZLSFSA-N 284.403 3.651 0 40 CHAB Fc1ccc(SCC(F)F)c(NCc2ncc[nH]2)c1 95429237 MRVJUMMXVSQZIS-UHFFFAOYSA-N 287.310 3.518 0 40 CHAB Cc1cc(C)cc(CSc2nnc(C3CC3)n2C)c1 9478851 JHCLSYFOHCXIFC-UHFFFAOYSA-N 273.405 3.602 0 40 CHAB O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CC=CCC1 39975959 VTHMYVUDVMRKCS-GXTWGEPZSA-N 273.401 3.696 0 40 CHAB C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(F)cc1 5458144 DGGZOKCPDOVJAL-VIFPVBQESA-N 279.261 3.595 0 40 CHAB COc1ccc(CCNC[C@@H](C)c2ccccc2)cc1 6558914 NFKCMKGPQFAQSP-OAHLLOKOSA-N 269.388 3.631 0 40 CHAB CCn1cc(CN2N=C(C)C[C@H]2c2ccccc2)c(C)n1 4742565 OCVHOZFLMRKLIF-KRWDZBQOSA-N 282.391 3.534 0 40 CHAB CCCCNC(=O)/C=C/c1cc2ccc(C)cc2o1 67339807 ABFRLENARRDLMB-BQYQJAHWSA-N 257.333 3.671 0 40 CHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC(C)CC1 7446724 CZTIWPIDOUMGCS-AWEZNQCLSA-N 284.403 3.779 0 40 CHAB C/C=C/C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 7781312 FMAXGLNVDMKWGC-SNAWJCMRSA-N 288.372 3.642 0 40 CHAB Cc1ccc(CN(C(=O)c2csc(C)n2)C(C)C)s1 69359499 WMRMCPXIZGNLMI-UHFFFAOYSA-N 294.445 3.872 0 40 CHAB COc1ncc([C@H]2CCCN2Cc2ccccc2)cc1C 72217711 VKFCCANMAIBERQ-QGZVFWFLSA-N 282.387 3.736 0 40 CHAB C[C@H](N[C@H](C)c1ccncc1)c1nc2ccccc2o1 97084000 OSYBLPZJSQETPO-NEPJUHHUSA-N 267.332 3.635 0 40 CHAB O=C(c1sccc1SC(F)F)N1CCCCC1 89885306 QIANCGRPGJFDFG-UHFFFAOYSA-N 277.361 3.689 0 40 CHAB Cc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1 22527754 OVWSFKHOZVVEKW-UHFFFAOYSA-N 283.371 3.712 0 40 CHAB Cc1nc2cc(C(=O)N(C(C)C)C(C)C)ccc2s1 408979215 QCBBBJCYURFPMX-UHFFFAOYSA-N 276.405 3.864 0 40 CHAB CCCNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 35476470 SLMZZCNREOJNTE-ZDUSSCGKSA-N 266.772 3.597 0 40 CHAB Cc1cc([C@H]2CCCCN2CC(C)C)cnc1N(C)C 72218643 RACIHGSSNZCVDY-MRXNPFEDSA-N 275.440 3.639 0 40 CHAB CCCCN1CCC[C@@H]1c1ccc(Cl)nc1C 72217905 PHCFOUXQJCTJOS-CYBMUJFWSA-N 252.789 3.980 0 40 CHAB Nc1cc(-c2nc3ncccc3o2)cc(Cl)c1Cl 73639981 JIOAPKFVOCBWOZ-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB COc1ccccc1NC(=S)Nc1ccc(C)cc1F 71326055 KGKYJGAAIRJWLG-UHFFFAOYSA-N 290.363 3.952 0 40 CHAB CN1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 72212124 HHESBKMRILLWOC-OAHLLOKOSA-N 254.333 3.641 0 40 CHAB O=C(NCc1ccsc1)c1cc2ccccc2s1 42936428 OPFWDNNLSWECQL-UHFFFAOYSA-N 273.382 3.893 0 40 CHAB CC[C@H](CNC(=S)Nc1cccnc1)Cc1ccccc1 225634017 ZXNHAVXZBOTMBJ-AWEZNQCLSA-N 299.443 3.637 0 40 CHAB CCCNCc1cc(C)n(Cc2ccc(C)cc2)c1C 223663347 UARYDMLAXLISFO-UHFFFAOYSA-N 270.420 3.961 0 40 CHAB C[C@@H](NC[C@H]1CCCO1)c1ccc(OC2CCCC2)cc1 225170458 GYUQTINHPPYZEQ-RDTXWAMCSA-N 289.419 3.838 0 40 CHAB CCO[C@]1(C(=O)Nc2ccc(OC)cc2)CCC[C@H](C)C1 225712507 YXOIHWLLQOQYFH-SUMWQHHRSA-N 291.391 3.619 0 40 CHAB Cc1nnc(CSCc2ccc(C(F)(F)F)cc2)o1 96467770 KUJPEHRIAMMOPN-UHFFFAOYSA-N 288.294 3.830 0 40 CHAB COc1ccccc1[C@@H](NCc1ncc(C)o1)C(C)(C)C 96492414 PTMJZORDXNDTDP-MRXNPFEDSA-N 288.391 3.869 0 40 CHAB CC[C@@H](C)C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C 72314122 DNDFVZAUWAJTHT-ZJUUUORDSA-N 294.782 3.877 0 40 CHAB O=C(NCC1CCCCCCC1)Nc1ccccn1 84613267 QYXFXLJIFLSUOB-UHFFFAOYSA-N 261.369 3.564 0 40 CHAB COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1Cl 555632 LGHXKHCPZHHURE-XYOKQWHBSA-N 285.730 3.841 0 40 CHAB COc1cc(/C=C/C(=O)O)c(Cl)cc1OC1CCCC1 12394618 GDEKXKPDHWGFRH-VOTSOKGWSA-N 296.750 3.768 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H]1C 13006292 GNAQFHZACMKTJG-OPRDCNLKSA-N 271.813 3.956 0 40 CHAB NC(=O)Nc1ccc(/C=C\c2ccnc3ccccc23)cc1 17062635 UKYWSEGWWZMQDV-YVMONPNESA-N 289.338 3.896 0 40 CHAB Cc1ccccc1CSCC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100226305 YHHUMHROJPMLDH-FMKPAKJESA-N 289.444 3.533 0 40 CHAB C[C@H](NCc1nc(C(C)(C)C)no1)c1ccccc1Cl 32755606 NHJYIQBPWWDZQE-JTQLQIEISA-N 293.798 3.871 0 40 CHAB COc1ccccc1CNc1ncnc2c(C)csc12 191133770 WLNCZGRXXOBESR-UHFFFAOYSA-N 285.372 3.620 0 40 CHAB CCN1C(=O)c2cccc3c(NC(=O)C(C)(C)C)ccc1c23 3264861 XIKIBVCKIITEPL-UHFFFAOYSA-N 296.370 3.805 0 40 CHAB Cc1cc(C)n(C(=O)c2ccc(-c3ccccc3)cc2)n1 44268 GDGNTKCWCWLAPD-UHFFFAOYSA-N 276.339 3.855 0 40 CHAB O=C(NCCc1cccs1)Oc1ccccc1Cl 21985977 NEMXMEQUDVGVCF-UHFFFAOYSA-N 281.764 3.733 0 40 CHAB Cc1cc(-c2ccccc2)n(-c2cccc(C(=O)O)c2)n1 40887380 ZKBIRCMLWJNPME-UHFFFAOYSA-N 278.311 3.546 0 40 CHAB CN(C)C(=O)c1ccccc1SCc1cccs1 40472881 ZUDOMUAIKWJDIH-UHFFFAOYSA-N 277.414 3.742 0 40 CHAB OCc1cc(-c2ccccc2OCc2ccccc2)ccn1 32593070 BWQFUMWHAXRJOG-UHFFFAOYSA-N 291.350 3.820 0 40 CHAB CCCCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 32888535 MEPDHJKTVLIREV-UHFFFAOYSA-N 282.387 3.974 0 40 CHAB Cc1cc(C)c(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)c(C)c1 209859 WGLNNOJWSJRDPR-GJZGRUSLSA-N 295.448 3.563 0 40 CHAB CC(C)CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 567274 FPVRWQRPHMFVPS-SNVBAGLBSA-N 271.813 3.593 0 40 CHAB CCN(CC)c1ccc(C[C@H]2Cc3ccccc3[C@H]2O)cc1 1621071 LQZWCVZVPZHHTD-PXNSSMCTSA-N 295.426 3.981 0 40 CHAB CCN(CC)CCCOC(=O)Nc1ccccc1Cl 1668554 QEYMEAGZNQQUJP-UHFFFAOYSA-N 284.787 3.620 0 40 CHAB CCC[C@H]1C[C@H](C)C(=O)N(c2ccccc2Cl)C1=O 1876875 KYLXXYQOAAEJPB-QWRGUYRKSA-N 279.767 3.656 0 40 CHAB CO[C@@](F)(C(=O)Nc1ccccc1C(C)C)C(F)(F)F 2066482 WEEYAPWWFCKRNL-LBPRGKRZSA-N 293.260 3.623 0 40 CHAB Cc1cc(N)cc(-c2nc3ccccc3s2)c1O 2518433 KWMAQNCNWBCYAY-UHFFFAOYSA-N 256.330 3.560 0 40 CHAB CCCCCC[C@]1(C)N=C(S)N(c2ccccc2)N1 3058573 SICFWIJQWWRONM-OAHLLOKOSA-N 277.437 3.984 0 40 CHAB Cc1cc(F)ccc1NCC(=O)Nc1cccc(Cl)c1 3411924 AFCLOCUQLCISFX-UHFFFAOYSA-N 292.741 3.838 0 40 CHAB Cc1noc(C)c1COC(=O)c1csc2c1CCCC2 3451373 BNAWHXGVBQYUMH-UHFFFAOYSA-N 291.372 3.589 0 40 CHAB O=C(c1cccc2ccccc12)[C@@H](O)c1ccccc1 3844981 AYNNGWPVYCXQDE-KRWDZBQOSA-N 262.308 3.756 0 40 CHAB biogenic Clc1ccc(C2OCC3(CO2)C[C@H]2C=C[C@@H]3C2)cc1 3852126 DBIXZVCGKNOYQF-VZVMWQMNSA-N 276.763 3.968 0 40 CHAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)O 4218952 RYEWOJILRDBBDR-UHFFFAOYSA-N 292.132 3.518 0 40 CHAB Cc1ccc(C)c(NC(=O)CCN2C[C@@H](C)C[C@@H](C)C2)c1 4743742 SNFXETNYWHPWJA-GASCZTMLSA-N 288.435 3.610 0 40 CHAB CCCCCNc1ncnc2c3ccccc3n(C)c12 5515978 UWDDJLUUYKSLHV-UHFFFAOYSA-N 268.364 3.724 0 40 CHAB CCCCN1C(=O)S/C(=C\c2ccccc2OC)C1=O 5552381 FLBQJEUWEUCLLH-RAXLEYEMSA-N 291.372 3.532 0 40 CHAB CC(C)CN(CC(C)C)C(=O)c1ccccc1F 5907712 POBJREIETHJNFR-UHFFFAOYSA-N 251.345 3.580 0 40 CHAB Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1 7321746 IRBWQMSQQKNAAY-UHFFFAOYSA-N 293.417 3.599 0 40 CHAB Cc1ccc(NC(=O)c2cn3c(C)cccc3n2)c(Cl)c1 9156523 JYOXUOHMWNLHNE-UHFFFAOYSA-N 299.761 3.857 0 40 CHAB Cc1ccc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 9909149 RTXNRFRBQUCNGP-UHFFFAOYSA-N 296.370 3.696 0 40 CHAB Cc1ccc(CCC(=O)Nc2ncccc2C)cc1Cl 12543031 VRLLFACXPZCHGA-UHFFFAOYSA-N 288.778 3.923 0 40 CHAB Cc1cc(CNC(=O)c2ccc3c(c2)CCCC3)ccc1F 12937986 RLIVGJZQAGSPCE-UHFFFAOYSA-N 297.373 3.943 0 40 CHAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1Cl 15967002 OZBTYJFODOYULQ-LLVKDONJSA-N 289.762 3.840 0 40 CHAB Fc1ccc(CCNCc2ccc(Cl)cc2)cc1 19904008 CLFSLFZXGQPRIG-UHFFFAOYSA-N 263.743 3.811 0 40 CHAB CCCNC(=O)[C@H](CC)Oc1cccc2ccccc12 20457474 SFNVYFNBZWFJGU-HNNXBMFYSA-N 271.360 3.523 0 40 CHAB CN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCc2ccccc21 29822412 NZCUZGPLNIPWLP-OAHLLOKOSA-N 297.423 3.996 0 40 CHAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)s1 32037636 GTRHXQVIOZAYSO-UWVGGRQHSA-N 269.797 3.935 0 40 CHAB COc1ccccc1-c1cc(N)n(-c2c(C)cccc2C)n1 32916909 SYTGMQNAUSQPOF-UHFFFAOYSA-N 293.370 3.747 0 40 CHAB Cc1csc(CCNc2nc3ccccc3s2)n1 32923394 ITKJKPXMFDZYTE-UHFFFAOYSA-N 275.402 3.716 0 40 CHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1 32967329 MTWANKNYVYNFQI-UHFFFAOYSA-N 295.169 3.661 0 40 CHAB COc1ccc(F)cc1C(=O)c1c(F)cccc1Cl 36944230 GSSZIQYQSVDOPF-UHFFFAOYSA-N 282.673 3.858 0 40 CHAB CC(C)c1ccc(Nc2ccc(C(=O)O)cc2N)cc1 37930387 ZDVUWYOVFNSCAV-UHFFFAOYSA-N 270.332 3.834 0 40 CHAB CC(C)NC[C@@]1(C)C[C@@H](NC(C)C)CC(C)(C)C1 39245131 IFJYEFKWFQAKDZ-HOCLYGCPSA-N 254.462 3.567 0 40 CHAB CC(C)[C@@H](C)NC(=O)Nc1ccc(Br)cc1 40023863 JTOXRPOHHVXJSU-SECBINFHSA-N 285.185 3.615 0 40 CHAB COCc1cccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1 40081324 YOGUFEADRDFKNE-UHFFFAOYSA-N 294.354 3.875 0 40 CHAB Cc1noc(C)c1CN(C)[C@@H](C)c1ccc(F)cc1 40475894 QBFHSGMNOMHMJM-NSHDSACASA-N 262.328 3.624 0 40 CHAB Cc1ccccc1[C@@H](O)c1ccccc1Br 43560669 DDULRUPNYFZANK-CQSZACIVSA-N 277.161 3.839 0 40 CHAB COc1cccc(-c2ccc(Br)cc2F)n1 45028363 LTNNAZJAWCRBIZ-UHFFFAOYSA-N 282.112 3.659 0 40 CHAB CC[C@@H](NC(=O)N1CCc2ccccc21)c1cccs1 56539604 XFNICFMTGNLXSZ-CYBMUJFWSA-N 286.400 3.972 0 40 CHAB CC(C)Cc1noc2nc(-c3ccccc3)cc(C(=O)O)c12 62710627 CPDGBDUBSMQIOI-UHFFFAOYSA-N 296.326 3.787 0 40 CHAB COc1ccc(F)cc1-c1ccc(C(=O)O)c(Cl)c1 65351028 CRQCHEZMUOTMFZ-UHFFFAOYSA-N 280.682 3.853 0 40 CHAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCC(n2cccc2)CC1 65551928 FULGOSZGUVVWIU-RDHHWEPZSA-N 288.435 3.914 0 40 CHAB C[C@H](SC1CCCC1)C(=O)Nc1cccnc1Cl 68934936 CVWJXNNFVRZQHD-VIFPVBQESA-N 284.812 3.738 0 40 CHAB CC[C@H](COC)N[C@H](C)c1ccc(Br)s1 70657886 QRMYKNDQERPTPB-RKDXNWHRSA-N 292.242 3.586 0 40 CHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)C2CCCCC2)s1 71883145 UFLRWMLMYNMRQK-LLVKDONJSA-N 280.437 3.860 0 40 CHAB Cc1ncccc1[C@H]1CCCN1Cc1ccccc1 72211281 AQBUYNFMAJUPBL-QGZVFWFLSA-N 252.361 3.727 0 40 CHAB CC(C)CN1CCC[C@H]1c1cccnc1Br 72211615 JXWLYYIGNWYILH-LBPRGKRZSA-N 283.213 3.637 0 40 CHAB Clc1ccc(Cc2cccc([C@H]3CCCNC3)n2)cc1 72343736 JVQGUQUSJLGCGB-AWEZNQCLSA-N 286.806 3.793 0 40 CHAB CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72348549 JUTYCCZVKHUPKW-AWEZNQCLSA-N 270.351 3.697 0 40 CHAB CCCc1c(C=O)cc(C(C)=O)n1Cc1ccccc1 78404420 DECPHKCKHGMFBU-UHFFFAOYSA-N 269.344 3.504 0 40 CHAB Cc1ccc([C@H]2CSCCN2C(=O)c2cccs2)o1 81347752 ZEIDFZHKLFIBKV-LLVKDONJSA-N 293.413 3.580 0 40 CHAB CCc1ccc(C(=O)c2c(F)cccc2OC)cc1 88079934 FFUIJODUEMDASD-UHFFFAOYSA-N 258.292 3.628 0 40 CHAB c1csc(-c2nc(CSCCn3cccn3)co2)c1 95410959 PTDUEDWNUBDUTM-UHFFFAOYSA-N 291.401 3.533 0 40 CHAB CC(C)n1cc([C@H](C)NC[C@@H](C)c2cccs2)cn1 95422761 VHAKQNZQLUUHTP-OLZOCXBDSA-N 277.437 3.980 0 40 CHAB Cc1c(F)cccc1[C@@H](O)c1ccc(Br)cc1 95730362 DDWOURMCXPNJPC-AWEZNQCLSA-N 295.151 3.978 0 40 CHAB CNc1ccc(C(=N)c2ccc(NC)c(C)c2)cc1C 95857877 FTZOMWRBGAUFMT-UHFFFAOYSA-N 267.376 3.803 0 40 CHAB O=C(c1cc(F)cc(Cl)c1)c1c(F)cccc1F 95916189 BLKCHWSZYCUNLY-UHFFFAOYSA-N 270.637 3.988 0 40 CHAB COc1ccc(C(=O)c2cc(Cl)ccc2C)c(OC)c1 95916575 XTSXJBQDCDVBMI-UHFFFAOYSA-N 290.746 3.897 0 40 CHAB COc1cc(F)ccc1C(=O)c1coc2cc(O)ccc12 170622826 GHTAEACZKOVYMX-UHFFFAOYSA-N 286.258 3.517 0 40 CHAB C[C@@H](C(=O)O)N(C)c1ccccc1Sc1ccccc1 225004066 YKYLDIBAMDVWBM-LBPRGKRZSA-N 287.384 3.747 0 40 CHAB O=C(NCc1cccnc1-c1ccco1)Nc1ccccc1 225662318 SUBMCDGGYGPHRX-UHFFFAOYSA-N 293.326 3.663 0 40 CHAB Cc1ccccc1C(=O)Nc1cc(C)c2nc(N)sc2c1 226309374 GYXVNOALIKXPLX-UHFFFAOYSA-N 297.383 3.748 0 40 CHAB CCOc1cccc([C@@H]2C[C@H](O)c3ccccc3N2)c1 242548461 LMEXYBBRSGEAGV-IRXDYDNUSA-N 269.344 3.676 0 40 CHAB CSCCC(=O)c1cccc(OC(F)(F)C(F)F)c1 575360623 JWQDTOCBXCMPHE-UHFFFAOYSA-N 296.285 3.859 0 40 CHAB Fc1cccc(SC(F)F)c1Br 604221838 AQUONDZOUNVJBC-UHFFFAOYSA-N 257.074 3.903 0 40 CHAB O=C(/C=C/c1ccccc1)Oc1cccc2cccnc12 83263 MGYIGSPQIHQSAA-VAWYXSNFSA-N 275.307 3.854 0 40 CHAB CC(C)C(=O)NCCC(c1ccccc1)c1ccccc1 483096 PYBQBICBTPLMQB-UHFFFAOYSA-N 281.399 3.981 0 40 CHAB Cc1ccc(C[C@H]2Sc3nc4ccccc4n3C2=O)cc1 547002 DUANDLHVNYKVNR-OAHLLOKOSA-N 294.379 3.702 0 40 CHAB Cn1c(-c2ccccc2)cc(=O)cc1-c1ccccc1 1601660 ISJSKZRWDSBCOL-UHFFFAOYSA-N 261.324 3.719 0 40 CHAB CCN(CC)CC[C@H](C)[C@@H](Cc1cccs1)OC(C)=O 1671238 YBCGCYGNOGTANZ-XJKSGUPXSA-N 297.464 3.590 0 40 CHAB O=CC(=O)c1c[nH]c(-c2ccccc2)c1-c1ccccc1 1718741 UCASYZBYQYPVEW-UHFFFAOYSA-N 275.307 3.730 0 40 CHAB CCn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 2732294 XMGLOYIOZYCPFV-UHFFFAOYSA-N 269.270 3.656 0 40 CHAB COc1cccc(NC(=S)NCC2CCCCC2)c1 3258917 MJLBCBOOKASZDP-UHFFFAOYSA-N 278.421 3.562 0 40 CHAB Cc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1C 3263982 LDGVGGRFBWCZTP-UHFFFAOYSA-N 282.368 3.665 0 40 CHAB CC(C)CCN1C[C@@H](C)[C@](O)(c2ccccc2)C[C@H]1C 3901497 NRNKPUIJZXENIG-NUJGCVRESA-N 275.436 3.651 0 40 CHAB CCC[C@@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4700755 UYCXRTUOFYFFEZ-LLVKDONJSA-N 283.799 3.802 0 40 CHAB Cc1ccc(-c2nn(CN3CCCCC3)c(=S)o2)cc1 4833992 NICAUEQKTJJPON-UHFFFAOYSA-N 289.404 3.624 0 40 CHAB Fc1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 5381035 MOXYEWBOLILLDN-UHFFFAOYSA-N 297.358 3.970 0 40 CHAB Cc1c(C(=O)N2CCC2)oc2c1ccc1ccccc12 5422792 VFHNWGWCRPBRHK-UHFFFAOYSA-N 265.312 3.740 0 40 CHAB CCn1c(-c2ccc(OC)cc2)ccc1[C@H](O)C(F)(F)F 5667936 HEJPFJSXFIGHOJ-AWEZNQCLSA-N 299.292 3.779 0 40 CHAB COc1ccccc1NC(=O)Nc1cccc(C)c1 5815471 VQZDUYGKAJWOSQ-UHFFFAOYSA-N 256.305 3.648 0 40 CHAB Cc1cc(C)nc(S[C@@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)n1 6189382 ZXXWVGOLGNDPMP-KFNAQCHYSA-N 290.432 3.579 0 40 CHAB Cc1ccc(-c2cn3nc(C4CC4)sc3n2)cc1C 6748254 FLDOXIDNCAUUTF-UHFFFAOYSA-N 269.373 3.952 0 40 CHAB CC[C@H](C)NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 7540977 JKUGUMRUYXRVFE-QWHCGFSZSA-N 273.376 3.888 0 40 CHAB CCc1nnc2sc(-c3ccc(C(C)(C)C)cc3)nn12 9205223 LSSOFGIYQJMADJ-UHFFFAOYSA-N 286.404 3.713 0 40 CHAB CCC(=O)Nc1ccc(F)cc1C(=O)Cc1ccccc1 12418361 UILREKHTSKOCGY-UHFFFAOYSA-N 285.318 3.600 0 40 CHAB O=C(NC1CCCC1)C1(c2ccc(F)cc2)CCCC1 12772003 XRBNEMIIPVADCE-UHFFFAOYSA-N 275.367 3.696 0 40 CHAB Cc1c(C(=O)c2ccc[nH]2)oc2ccc(Cl)cc12 12847337 SZTXMKKZKLAPLR-UHFFFAOYSA-N 259.692 3.954 0 40 CHAB Cc1ccoc1C(=O)Nc1ccc(O)c2ccccc12 12983394 SEGBSXVMOPHBSI-UHFFFAOYSA-N 267.284 3.699 0 40 CHAB Cc1ccc(CCCNC(=O)CCc2ccc(C)cc2)cc1 13671402 HVSHFKOVPKKPSU-UHFFFAOYSA-N 295.426 3.985 0 40 CHAB C[C@H]1c2cccn2CCN1Cc1nc2ccccc2s1 14247567 HTZCYNABSBFKCN-LBPRGKRZSA-N 283.400 3.675 0 40 CHAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc(F)c1 15594024 UDROSEKUUCHUPX-ZDUSSCGKSA-N 287.334 3.849 0 40 CHAB CSc1ccc(/C=C2\SC(=S)N=C2O)cc1 16991284 SEIFTQHMDCKSIB-TWGQIWQCSA-N 267.400 3.738 0 40 CHAB in-vitro O=C(NCc1ccccc1Cl)c1ccc(F)c(F)c1 22595222 NHGKKEYZAQWYOR-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB Clc1ccc2c(c1)CCCN2Cc1nc(C2CC2)no1 26342255 DKVHICKSRNVPDA-UHFFFAOYSA-N 289.766 3.553 0 40 CHAB FC(F)(F)c1ccc2[nH]cc(C3CCNCC3)c2c1 26894276 NNQXIGNKCSZMDB-UHFFFAOYSA-N 268.282 3.654 0 40 CHAB O=C(Nc1cccc(OC2CCCC2)c1)c1ccncc1 31205843 ZXNYSOHTMRRPJL-UHFFFAOYSA-N 282.343 3.655 0 40 CHAB CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1ccco1 32964209 ZSBYJARGGKDIET-BQYQJAHWSA-N 293.725 3.744 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccccc1 36387084 HXRFGQFZACCUOW-VNQPRFMTSA-N 259.393 3.877 0 40 CHAB Clc1ccc(COc2ccc(Cl)cn2)cc1 36719663 SYFDPZCESRUZCK-UHFFFAOYSA-N 254.116 3.967 0 40 CHAB CCC[C@H](C)NC(=O)Nc1cccc(Br)c1 40023779 RYBOORFYXPNQFA-VIFPVBQESA-N 285.185 3.759 0 40 CHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1Cl 41091196 RRXKMJNNJVJYGZ-UHFFFAOYSA-N 299.754 3.588 0 40 CHAB COc1ccc(C(=O)c2ccccc2SC)cc1 43209734 WEYPAMHTOPJRGL-UHFFFAOYSA-N 258.342 3.648 0 40 CHAB CCOC(=O)c1cccc(Oc2ccc(F)cc2)c1 43503586 CXAVSXKNZKVJNG-UHFFFAOYSA-N 260.264 3.795 0 40 CHAB Cc1ccccc1C(=O)N(Cc1ccsc1)C1CC1 44446503 LOOQLZRVXBUMCS-UHFFFAOYSA-N 271.385 3.861 0 40 CHAB CS[C@@H](C)C(=O)Nc1cccnc1Oc1ccccc1 48792273 VAXADEFZPSKOEB-NSHDSACASA-N 288.372 3.564 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccccn1 48945474 JTQXVOSJPOWQFB-OAHLLOKOSA-N 286.762 3.712 0 40 CHAB CN(C(=O)c1ccc(-n2cccc2)cc1)C(C1CC1)C1CC1 50401468 LHLWMCKBDRYYCA-UHFFFAOYSA-N 294.398 3.738 0 40 CHAB c1csc(-c2ccc(NCC3CCOCC3)cc2)n1 52178448 SDHVYDBATMQJGT-UHFFFAOYSA-N 274.389 3.649 0 40 CHAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)cc1 69846597 LAGHDTNUIVPRKI-QGZVFWFLSA-N 285.387 3.684 0 40 CHAB N[C@@H]1C[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 70453082 GKVNCHFBXNLICC-WDEREUQCSA-N 267.250 3.780 0 40 CHAB CCCCN1CCCC[C@@H]1c1ccc(N(C)C)nc1C 72218764 CZBAUVHJUSIXJW-MRXNPFEDSA-N 275.440 3.783 0 40 CHAB Cc1cc(N2CCCCC2)ncc1C(=O)c1ccccc1 72223496 ZLLSQSYTCOQXSE-UHFFFAOYSA-N 280.371 3.611 0 40 CHAB CN(C)C(=O)c1ccc(CSCc2ccccc2)cc1 72776014 UUBJQCVURPEHIL-UHFFFAOYSA-N 285.412 3.822 0 40 CHAB CCN(C)c1cccc(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 78936954 OPZGGFMKPBBETI-GASCZTMLSA-N 299.418 3.573 0 40 CHAB Cc1cc(F)cc(C(=O)c2cc(F)ccc2F)c1 89064261 XBCIDWVSHRMXQT-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB C[C@@H](N[C@@H](c1ccccc1)c1ccccn1)c1ccncc1 95349343 HDYGSCJCLQWHCD-BEFAXECRSA-N 289.382 3.917 0 40 CHAB C[C@H](SCc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100329252 CKSFZMXQPUJPIO-LCGIIJARSA-N 289.444 3.613 0 40 CHAB CCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21 100673098 KLOCVDUGNIGCCY-UHFFFAOYSA-N 293.366 3.708 0 40 CHAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 102508314 SGGPQDFATTWKIN-FRRDWIJNSA-N 294.826 3.645 0 40 CHAB Cc1cccc(OCCNC(=O)/C=C/c2ccccc2)c1C 223897412 MAXPGUUCTJWYLT-VAWYXSNFSA-N 295.382 3.512 0 40 CHAB CCCCC(=O)Nc1cc(N)ccc1N1CCC(C)CC1 226253587 YDYSEVFXKYNFEL-UHFFFAOYSA-N 289.423 3.634 0 40 CHAB Cc1cc(-c2nn3c(c2Br)CCC3)ccc1F 248087308 FLGJMZOQSCWOIH-UHFFFAOYSA-N 295.155 3.706 0 40 CHAB Fc1ccc(C(=S)NCc2ccccc2Cl)cc1 408574539 RTYIPYASTAYMIA-UHFFFAOYSA-N 279.767 3.944 0 40 CHAB Cc1ccc(OC[C@@H]2Nc3ccc(F)cc3N2)c(C)c1 1772765520 LDBJTNGBTINVJH-MRXNPFEDSA-N 272.323 3.685 0 40 CHAB Cc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 322884 NOPYSJFTXMELOY-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB On1c(-c2c(F)cccc2Cl)nc2ccccc21 1396559 DCSJHYMXBKGBQA-UHFFFAOYSA-N 262.671 3.733 0 40 CHAB COc1ccc2[nH]c3c(c2c1)CCN1C[C@H]2CCCC[C@H]2[C@H]31 2124592 HKCFIODYAGNXJQ-BBEGDGIKSA-N 296.414 3.896 0 40 CHAB CCN(CC)CCC[C@H](C)N1C[C@H]2CCCC[C@@H]2C1 4802678 BYMCWUJUHHZIBS-GVDBMIGSSA-N 266.473 3.619 0 40 CHAB CCc1nc(SCc2ccc(Cl)cc2)[nH]c(=O)c1C 4861224 QEAPZINYAUIESX-UHFFFAOYSA-N 294.807 3.586 0 40 CHAB COC(=O)CCCCCC1CCC(CCC(=O)OC)CC1 4972289 SWOUTUUZNQRADL-UHFFFAOYSA-N 298.423 3.870 0 40 CHAB O=C(NC1CCCCCCCCCCC1)N1CCOCC1 6261897 KJIZYYPKUYNGNQ-UHFFFAOYSA-N 296.455 3.702 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 10287282 NHTONFNMTMMBGE-GFCCVEGCSA-N 289.762 3.770 0 40 CHAB Fc1ccc(F)c(NC(=S)NC2CCCCC2)c1 3233580 GPBOPFSYLRMHDX-UHFFFAOYSA-N 270.348 3.584 0 40 CHAB Cc1occc1C(=O)NCc1ccc(Cl)cc1Cl 8276360 PPVPPAYFRCCFPU-UHFFFAOYSA-N 284.142 3.825 0 40 CHAB CCC[C@H](C)NC(=O)CCc1ccc(Cl)cc1 54484779 LEKTYGQYGZZQNJ-NSHDSACASA-N 253.773 3.577 0 40 CHAB Cc1n[nH]cc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C 37119208 RHYQFWXQSWYBTH-HNNXBMFYSA-N 275.371 3.734 0 40 CHAB Cc1cccc(NCC(=O)Nc2cccc(Cl)c2)c1 19774033 PGBHRIIMCBUHLS-UHFFFAOYSA-N 274.751 3.699 0 40 CHAB Cc1cc(C)c([C@H](C)NC(=O)c2ccco2)cc1C 22538042 QLFNZVLRQWSVQE-ZDUSSCGKSA-N 257.333 3.696 0 40 CHAB Cc1nc2cc(NC(=O)NCc3ccccc3)ccc2s1 408978860 NVMXDUMZYIHPLA-UHFFFAOYSA-N 297.383 3.926 0 40 CHAB CCc1ccc(NC(=O)Cc2noc3ccccc23)cc1 8076045 ZSGUBLKNWIRLOV-UHFFFAOYSA-N 280.327 3.571 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N)c1 22171149 GBPJLFOANJWNLG-UHFFFAOYSA-N 298.386 3.718 0 40 CHAB CCC(C)(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 9851332 VTOBBOUIZPLUHD-UHFFFAOYSA-N 283.799 3.802 0 40 CHAB Cc1ccsc1-c1nnc2sc(-c3ccccc3)nn12 20724000 PTFFNYDVSOKORL-UHFFFAOYSA-N 298.396 3.890 0 40 CHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC(C)C 20486419 YKZWXTGZEZYIRA-INIZCTEOSA-N 271.360 3.522 0 40 CHAB COc1c(N)cc(-c2nc3ccccc3o2)cc1Cl 20134789 OCPZYLPOZHRNKK-UHFFFAOYSA-N 274.707 3.739 0 40 CHAB O=C(CCC(=O)N1CCCc2ccccc21)c1cccs1 32975314 DUUBCPQXFGGAED-UHFFFAOYSA-N 299.395 3.690 0 40 CHAB CCCCN1C(=O)S/C(=C\C=C\c2ccco2)C1=O 210156103 MRSQGGDMYSUXPE-HOGPSILUSA-N 277.345 3.672 0 40 CHAB Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C)C3)o2)c(N)c1 226304905 SYPFMZACDKGNGN-CYBMUJFWSA-N 298.386 3.709 0 40 CHAB Cc1cc(C(=O)N[C@H]2CCc3ccccc32)c(C)n1C1CC1 40015962 HMDTYKHNRWTQQN-SFHVURJKSA-N 294.398 3.857 0 40 CHAB CCNCc1c(C)n(CC)c2ccc(OC(C)C)cc12 223762911 LZWHTVJGIKMJPP-UHFFFAOYSA-N 274.408 3.866 0 40 CHAB Cc1ccc([C@@H](O)c2sccc2Br)s1 82614216 LXJMAKCBVAQGNJ-SECBINFHSA-N 289.219 3.962 0 40 CHAB CCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1 225708401 XJHVVLPUCOAUQJ-UHFFFAOYSA-N 291.391 3.763 0 40 CHAB COc1ccc(NC(=O)c2conc2-c2ccccc2)cc1 225871471 BDMOTVMDTQKTES-UHFFFAOYSA-N 294.310 3.603 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1cccc(OCC)c1 225382731 JTTHRSGICGYUIW-LLVKDONJSA-N 266.410 3.560 0 40 CHAB CC(C)(C)SCCNC(=O)CCc1ccccc1Cl 220012331 ANFKGLKFRAOKML-UHFFFAOYSA-N 299.867 3.921 0 40 CHAB CC[C@H](C(=O)OC)N1c2ccc(F)cc2C(C)=CC1(C)C 223199364 ARPBIPLYAJSQBN-CQSZACIVSA-N 291.366 3.779 0 40 CHAB CC(C)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344119 HNMBGILZWOTGHR-RYUDHWBXSA-N 272.175 3.622 0 40 CHAB CCOc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1OC 85384496 GHJFTYTWWAKMJB-UHFFFAOYSA-N 295.342 3.546 0 40 CHAB CSc1ccccc1C(=O)NCC1=CCCCC1 223452654 KUNBEXCCPIIONF-UHFFFAOYSA-N 261.390 3.639 0 40 CHAB Cc1cc(COc2ccc(Oc3nccs3)cc2)on1 96455293 UTESWRQWDNGMQE-UHFFFAOYSA-N 288.328 3.811 0 40 CHAB CSc1ccc(C)c(NC(=O)N(C)CC(F)(F)F)c1 276172434 UFACRWSZNSTKGA-UHFFFAOYSA-N 292.326 3.743 0 40 CHAB O=C(COCc1ccccc1)c1cc(F)cc(Cl)c1 382691127 IHKQCQXEGQEQQK-UHFFFAOYSA-N 278.710 3.879 0 40 CHAB S=C(Nc1ccccc1)Nc1ccc2nsnc2c1 1163721 WALNNJCVEYYBPN-UHFFFAOYSA-N 286.385 3.500 0 40 CHAB Nc1ccccc1SC[C@H](O)CSc1cccs1 160146 DGNCTFGANNEYCV-JTQLQIEISA-N 297.470 3.576 0 40 CHAB C1=CN2C[C@H](c3ccc4ccccc4c3)N=C2S1 117648942 ISLAKABVTJWHLB-CQSZACIVSA-N 252.342 3.771 0 40 CHAB O=C1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21 34303177 MGEGDVKBXGZTRM-UHFFFAOYSA-N 292.121 3.854 0 40 CHAB in-vitro CCC[C@@H](C(=O)Nc1ccncc1)c1ccccc1 12543424 XGKMNZIAKYRIAL-OAHLLOKOSA-N 254.333 3.604 0 40 CHAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 13710242 JOATUORCDNWUCQ-CQSZACIVSA-N 299.370 3.718 0 40 CHAB Cc1c(Cl)cccc1NC(=S)NCc1ccncc1 13838691 RDAFNUXZGCHWFK-UHFFFAOYSA-N 291.807 3.530 0 40 CHAB CCC(=O)Nc1nc2ccc3sc(C)nc3c2s1 4173982 LQNWDMJZDOTFPM-UHFFFAOYSA-N 277.374 3.563 0 40 CHAB COc1cccc(C[C@H]2C(=O)Nc3cc(Cl)ccc32)c1 40267185 XVYDBBUGYNTGMA-CQSZACIVSA-N 287.746 3.627 0 40 CHAB Cc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1C 129417 DUZMRBQEFRTBQO-UHFFFAOYSA-N 290.746 3.941 0 40 CHAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1 482808 RBGWUGQIUNIKSU-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CCOc1cc(Nc2cnc3ccccc3n2)ccc1OC 54060800 CZYSEEYKMYBGEU-UHFFFAOYSA-N 295.342 3.781 0 40 CHAB O=C(CCN1CCCC1)c1ccc2ccccc2c1 145614 NVOKBQBPIVIAGG-UHFFFAOYSA-N 253.345 3.508 0 40 CHAB CCc1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 580162 BKAWZOBZYQHWIE-UHFFFAOYSA-N 283.371 3.883 0 40 CHAB CCCCCC[C@](C)(O)[C@H](C(=O)O)c1ccccc1 1577313 WSXBEMRFZYJPQB-HOCLYGCPSA-N 264.365 3.576 0 40 CHAB O[C@H](CCN1CC2CCC(CC2)C1)c1ccc(Cl)cc1 1615840 HOFIIDWONAPDKX-MQBCKMQZSA-N 293.838 3.886 0 40 CHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccccn1 2910505 ZNMWFDKCPWCBBU-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1 3549208 AVIHMXSXGSFSFS-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB O=C(O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 3749291 YYGKVQTTYRUFEX-GOSISDBHSA-N 295.382 3.650 0 40 CHAB CCN(CC)C(=O)c1csc(Nc2cccc(C)c2)n1 4687935 CHSQOZIPRSSDNE-UHFFFAOYSA-N 289.404 3.677 0 40 CHAB O=C1S/C(=C\c2ccco2)C(=O)N1CCc1ccccc1 5946868 NYVOXNQGCHQSOY-KAMYIIQDSA-N 299.351 3.559 0 40 CHAB C[C@H]1c2ccsc2CCN1C(=O)c1cc2ccccc2[nH]1 7830219 GGQJBCUXOGMJHE-NSHDSACASA-N 296.395 3.989 0 40 CHAB Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 9339377 YAGJUPAUKZBXQD-QWHCGFSZSA-N 286.762 3.786 0 40 CHAB Cc1ccccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 9544576 PYQYJOLGSQSRTO-UHFFFAOYSA-N 294.354 3.596 0 40 CHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](N)CC[C@@]43C)[C@@H]1CC[C@H]2O 12479353 WMEBIWWUBWHAOJ-LFJLJVMTSA-N 291.479 3.717 0 40 CHAB biogenic COc1cc(/C=C/c2nc3ccccc3o2)ccc1O 12785403 NNSHDMPWZXOFPX-VQHVLOKHSA-N 267.284 3.712 0 40 CHAB O=C(O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 13166474 RSOSHSMEPVMQGI-UHFFFAOYSA-N 291.306 3.790 0 40 CHAB Cc1cccc(CNC(=O)Nc2ccc(F)cc2F)c1 16349201 QLNKFOGJNNTOPH-UHFFFAOYSA-N 276.286 3.595 0 40 CHAB COc1ccc2cc(C(=O)N3CCC[C@@H](C)C3)ccc2c1 19170015 CGGHLXFMSJBBGD-CYBMUJFWSA-N 283.371 3.721 0 40 CHAB COc1ccc(CC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20035708 MSCYABMTQBBOHY-OAHLLOKOSA-N 297.398 3.732 0 40 CHAB C[C@@H](NCc1cnn(C)c1)c1ccc(Cl)cc1Cl 20075136 SALUQTWCXXLVLP-SECBINFHSA-N 284.190 3.578 0 40 CHAB CC(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 21792073 KLTZOTJSEZFNOE-UHFFFAOYSA-N 293.326 3.670 0 40 CHAB O=C(NCc1ccccc1F)c1cc2ccccc2s1 22905449 BWZVLOXJUYOKQM-UHFFFAOYSA-N 285.343 3.970 0 40 CHAB Clc1ccc(CNc2cnc3ccccc3n2)s1 26727264 GNRUYDFVABRUBX-UHFFFAOYSA-N 275.764 3.957 0 40 CHAB Cc1cccnc1NC(=O)Cn1ccc2ccc(Cl)cc21 32100621 XKTNBBBAPSYAPT-UHFFFAOYSA-N 299.761 3.637 0 40 CHAB Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)c(C)c1 36022360 IXGOSCWLAXUIAN-AWEZNQCLSA-N 265.356 3.895 0 40 CHAB C[C@@H](Sc1ccccn1)c1nc(C(C)(C)C)no1 40051174 KCYTXLVNAFMSLQ-SECBINFHSA-N 263.366 3.615 0 40 CHAB O=C(/C=C/c1ccccc1C(F)(F)F)Nc1nccs1 40146044 VKIFPIKTTWUUJK-AATRIKPKSA-N 298.289 3.814 0 40 CHAB Cc1sc(N)nc1-c1cccc(C(F)(F)F)c1 41656682 TVKOPTXEGRCTEP-UHFFFAOYSA-N 258.268 3.720 0 40 CHAB CCCCc1ccc(C(=O)c2ccnc(C)c2)cc1 45038544 MMFJQGHIYRWNRM-UHFFFAOYSA-N 253.345 3.964 0 40 CHAB CCCCOCCNc1cccc(Br)c1 49261941 ZGWNBYQDKMFESH-UHFFFAOYSA-N 272.186 3.678 0 40 CHAB in-vitro Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCCC2)c1 49890977 FJOGJOXYROURTD-CQSZACIVSA-N 275.392 3.508 0 40 CHAB Cc1ccc(C)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 58379864 JOYOZCJLOFZHEJ-UHFFFAOYSA-N 295.386 3.895 0 40 CHAB O=C(Cc1cccc(Cl)c1)Nc1cc(F)ccc1F 67787889 UGHRFZNDEIEYHD-UHFFFAOYSA-N 281.689 3.799 0 40 CHAB O=C(NCc1ccccc1C(F)(F)F)c1cccs1 70250817 NFQSHLNYGXOZQI-UHFFFAOYSA-N 285.290 3.697 0 40 CHAB C[C@H](Sc1cccs1)c1nnnn1-c1ccccc1 71910004 TVBVPLVQEPDPHP-JTQLQIEISA-N 288.401 3.577 0 40 CHAB COc1cc(C)ccc1NC(=O)c1cccc2cnccc12 73022447 GLFWAGLXPAJCLJ-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB C[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@@H](c2ccco2)C1 76089331 LSTXZVHFWGNWJC-QLFBSQMISA-N 273.376 3.936 0 40 CHAB CCc1nc(C[S@@](=O)CC2CCCCC2)cs1 77478323 AWQAFYIXHNUYRU-QGZVFWFLSA-N 271.451 3.535 0 40 CHAB COc1ccc(CN[C@@H]2C[C@@H](C)c3ccccc32)cc1O 78553788 YVFRZIVDPQVFBE-MLGOLLRUSA-N 283.371 3.739 0 40 CHAB C[C@H]1CCC[C@H](NC(=O)c2cnc(Cl)c(Cl)c2)C1 83881602 CSSJFELVEGWOJH-WPRPVWTQSA-N 287.190 3.697 0 40 CHAB CCc1ccccc1C(=O)c1ccc(OC)c(F)c1 89064243 LBFZRUSREHXJTM-UHFFFAOYSA-N 258.292 3.628 0 40 CHAB COc1cccc(-c2noc([C@H]3C[C@@H]3c3ccco3)n2)c1 89471391 BIFNTVXQFVRFNG-STQMWFEESA-N 282.299 3.609 0 40 CHAB CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O 93487872 VTCNKQPZPFNZDJ-KGLIPLIRSA-N 295.423 3.925 0 40 CHAB CC1CCN(c2cc(Br)ccc2F)CC1 95915594 CYBYYQLNSCFTKA-UHFFFAOYSA-N 272.161 3.825 0 40 CHAB CN(C)c1ccc(C(=O)c2ccc(Cl)cc2)cc1 95916625 HVJQKNQMZSRFSN-UHFFFAOYSA-N 259.736 3.637 0 40 CHAB CC[C@H](CSC(F)(F)F)NC(=O)OC(C)(C)C 95918453 FGEBZDHZUBWRBL-SSDOTTSWSA-N 273.320 3.543 0 40 CHAB O=C(O)c1ccc(F)c(NC(=O)c2coc3ccccc23)c1 96406065 ILEZRKKSHPRIGV-UHFFFAOYSA-N 299.257 3.522 0 40 CHAB CCN1C(=O)[C@H](Cc2ccccc2F)c2ccccc21 101014769 VYWUGEGQORFNPZ-CQSZACIVSA-N 269.319 3.519 0 40 CHAB C[C@@]12CCC[C@H]1[C@@H]1C[C@@H](O)[C@@H]3C[C@H](O)CC[C@]3(C)[C@H]1CC2 118931497 CJPFOFKWQJELAW-ZTALVMEUSA-N 292.463 3.751 0 40 CHAB COc1ccc(NCc2cccnc2)cc1C(F)(F)F 199766417 JHBNAGACQUMHCJ-UHFFFAOYSA-N 282.265 3.721 0 40 CHAB O=Cc1ncc(-c2cccc(C(F)(F)F)c2)s1 199792041 CNQAUTKBIATATI-UHFFFAOYSA-N 257.236 3.641 0 40 CHAB O=C(CCSc1ccccc1)NCC1=CCCCC1 223416730 LNAMXVAUQNOYDN-UHFFFAOYSA-N 275.417 3.785 0 40 CHAB COc1ccc(Cl)cc1C(=O)NC(C(C)C)C(C)C 225035150 ZBERMLKJBPWVML-UHFFFAOYSA-N 283.799 3.759 0 40 CHAB Cc1ccc(S[C@H](Cc2ccc(F)cc2)C(=O)O)cc1 225055060 QOCVFSVUGLQJIO-OAHLLOKOSA-N 290.359 3.922 0 40 CHAB CC[C@@H](C)n1c(CCc2ccccc2)ccc1C(=O)O 226028503 ZLXMRKWQBBGSQZ-CYBMUJFWSA-N 271.360 3.943 0 40 CHAB O[C@@H](c1cc(C(F)(F)F)ccc1Cl)C(F)(F)F 405992324 VNQQCHNZJWLBIS-ZETCQYMHSA-N 278.579 3.955 0 40 CHAB O=Cc1cc2ccc(OCc3ccccc3)cc2[nH]1 526059836 RXLIHWDWKBANOD-UHFFFAOYSA-N 251.285 3.559 0 40 CHAB c1ccc2c(-c3cnc(N4CCC4)nc3)cccc2c1 1239472018 URUGEIDOEBHRGV-UHFFFAOYSA-N 261.328 3.507 0 40 CHAB CO[C@H](CNc1nc2ccccc2o1)c1ccccc1C 1775970217 HMVKZGLDNOWODS-MRXNPFEDSA-N 282.343 3.936 0 40 CHAB COc1cccc(CN(C)Cc2nc3ccccc3s2)c1 42976396 MYOJFNFGPOVSQW-UHFFFAOYSA-N 298.411 3.937 0 40 CHAB c1ccc2c(c1)c1ccccc1n2CCN1CCCC1 4365795 FDWNFNLLWQXCON-UHFFFAOYSA-N 264.372 3.890 0 40 CHAB CCCSc1ccccc1C(=O)NCc1ccccn1 4935656 OEBDKBTUWFPXKJ-UHFFFAOYSA-N 286.400 3.514 0 40 CHAB C[C@@H]1CCC[C@@H](NC(=S)Nc2ccc(F)cc2)[C@@H]1C 6795027 HDVXYNKRVGGROH-JTNHKYCSSA-N 280.412 3.937 0 40 CHAB Cc1cc(CNCc2cc(C)c(O)c(C)c2)cc(C)c1O 57218549 LMXLQCFWONDIEF-UHFFFAOYSA-N 285.387 3.621 0 40 CHAB Cc1ccccc1Cn1nc(C)c(NC(=O)C2CCC2)c1C 27922029 FYEAMDTUOSMMNK-UHFFFAOYSA-N 297.402 3.595 0 40 CHAB Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1 101150605 NULHJLDBQDFZDV-DAYGRLMNSA-N 271.404 3.940 0 40 CHAB C[C@@H](Nc1cccc2[nH]ncc12)c1ccccc1F 37783793 MGAJQZOACDQCOY-SNVBAGLBSA-N 255.296 3.875 0 40 CHAB S=C(NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 9188251 XBGWJQSOIJLSOT-QGZVFWFLSA-N 297.423 3.798 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)o1 9322688 ZTUZNPBYRKGMIF-UHFFFAOYSA-N 284.359 3.831 0 40 CHAB CCC[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccccc1 46162803 QZXBTWXEMARZGW-HZPDHXFCSA-N 275.392 3.603 0 40 CHAB O=C(c1ccc(Cl)cc1)c1cccc(CN2CC=CC2)c1 2515394 NQEVFICSQYJHGD-UHFFFAOYSA-N 297.785 3.943 0 40 CHAB COc1ccccc1C(=O)c1cccc(Br)c1 2574611 ZUYGRFRBVXDZBE-UHFFFAOYSA-N 291.144 3.689 0 40 CHAB CC(C)c1nnc(CN(c2ccc(F)cc2)C(C)C)o1 60378859 RXXLJGJXWKGNBN-UHFFFAOYSA-N 277.343 3.747 0 40 CHAB Cc1c(-c2cc3c(s2)CCC3)nn(-c2ccccc2)c1N 37352434 YDOMYRBJVPDXPB-UHFFFAOYSA-N 295.411 3.980 0 40 CHAB in-vitro CCCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 43468507 ZSVMTXIYUVRAJM-UHFFFAOYSA-N 280.677 3.890 0 40 CHAB CCOc1cc2c(cc1NC(=O)CC(C)(C)C)O[C@H](C)C2 12910012 JPYBCZXYKCGTDJ-LLVKDONJSA-N 291.391 3.783 0 40 CHAB Cc1ccc(Cc2cnc(NC(=O)c3ccoc3)s2)cc1 9364602 OLNPLUFZWBJLFL-UHFFFAOYSA-N 298.367 3.888 0 40 CHAB Cc1ccc(-c2noc(CNc3ccccc3F)n2)cc1 39987685 VIGDBTIBVFAHRQ-UHFFFAOYSA-N 283.306 3.796 0 40 CHAB O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)nc1 14075336 OMXDAGMPOBDVPV-UHFFFAOYSA-N 286.762 3.866 0 40 CHAB C1CCCN(C2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 4703446 XCZBNZIWHQGJOM-JZXOWHBKSA-N 276.468 3.515 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 14903363 VINJMIKVPYFQOX-MFKMUULPSA-N 283.318 3.597 0 40 CHAB Cc1ccc(CNC2C3CC4CC(C3)CC2C4)s1 4897422 SETHNGPHPAFSQC-UHFFFAOYSA-N 261.434 3.971 0 40 CHAB c1cc(-c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)ccn1 6943825 WBTOFLKGFGMXOJ-UHFFFAOYSA-N 295.386 3.891 0 40 CHAB Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2ccccc2)s1 19927538 WAVLUZKYVMGPIR-GWCFXTLKSA-N 290.413 3.619 0 40 CHAB C[C@@H](NCc1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 96500133 UJIQJUPLJAYXKB-KGLIPLIRSA-N 287.359 3.587 0 40 CHAB CC[C@H](C)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 8344401 MTUFDDWMNDOBEV-DTWKUNHWSA-N 289.206 3.709 0 40 CHAB O=c1c2ccccc2[nH]c(=S)n1C1CCCCCC1 17007330 KDSXJHCXONXDRQ-UHFFFAOYSA-N 274.389 3.954 0 40 CHAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1OC(C)C 8959123 BZLUELIOTFGHFS-INIZCTEOSA-N 261.365 3.612 0 40 CHAB CC(=O)Nc1cccc(Cn2ccnc2-c2cccs2)c1 97037364 GCBJVUMLUVGSRR-UHFFFAOYSA-N 297.383 3.618 0 40 CHAB CCC1=Nc2ccccc2NC(N)=C1c1ccc(OC)cc1 20635371 JDDUNEWLJXXOMH-UHFFFAOYSA-N 293.370 3.931 0 40 CHAB Clc1ccc(-c2nc([C@H]3CCOC3)no2)c(Cl)c1 89768404 OEKZRFINYOQZLT-ZETCQYMHSA-N 285.130 3.547 0 40 CHAB Cc1ccc(CCCCC(=O)N[C@@H](C)c2ccncc2)cc1 69005534 JDCQSTFBGFHZHO-INIZCTEOSA-N 296.414 3.980 0 40 CHAB CCCCN1CCCC[C@H]1c1cnc(NC)cc1C 72219065 XAEVGDKYKWGDEW-HNNXBMFYSA-N 261.413 3.759 0 40 CHAB CSc1ccc(NC(=O)NCCc2cccs2)cc1 33619724 KGLCDMHPQPTUTD-UHFFFAOYSA-N 292.429 3.834 0 40 CHAB Cc1cncc([C@H]2CCCCN2C(=O)c2ccccc2)c1 72211377 OKUDZPIITOVGRP-QGZVFWFLSA-N 280.371 3.757 0 40 CHAB CC(C)N(c1ccc([C@@H]2CCCCN2)cn1)C(C)C 72212968 ZWNKSMJLBPIEFF-HNNXBMFYSA-N 261.413 3.519 0 40 CHAB Cc1ccccc1NC(=O)NCCSC1CCCC1 40095258 LJWABGOWAUEYDK-UHFFFAOYSA-N 278.421 3.792 0 40 CHAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1 40160051 AGBTYCCEIOGREX-VDDIYKPWSA-N 271.282 3.539 0 40 CHAB Cc1cccc(O[C@H](Cc2cccc(C)c2C)C(=O)O)c1 225022069 DUQJUWURIRVNPA-QGZVFWFLSA-N 284.355 3.687 0 40 CHAB Cc1cc(C)cc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)c1 225037501 ZEBOJAWORVCSOJ-SFHVURJKSA-N 298.382 3.995 0 40 CHAB Cc1c(CNC(C)C)c2cc(O)ccc2n1C(C)C 223768460 HVOQVQFDBHHPDC-UHFFFAOYSA-N 260.381 3.734 0 40 CHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H](C)C2)c1 224978837 YFURRPGLRLVHED-HNNXBMFYSA-N 289.419 3.756 0 40 CHAB Cc1ccc(CC(=O)NCCSC2CCCC2)c(C)c1 224874748 NRBYABGUORNQKT-UHFFFAOYSA-N 291.460 3.638 0 40 CHAB CNC(=O)c1cccc(-c2cccc3nc(C)ccc23)c1 96132437 XBLQCCRANMWEPX-UHFFFAOYSA-N 276.339 3.570 0 40 CHAB Cc1ccc(SCC(=O)Nc2cccc3cn[nH]c23)cc1 26913504 MRHMMFXVPFGASV-UHFFFAOYSA-N 297.383 3.602 0 40 CHAB COc1cc(C(=O)c2cccc(SC)c2)ccc1F 95917217 KBEPUSZSRODXPN-UHFFFAOYSA-N 276.332 3.787 0 40 CHAB CC[C@H](C)NC(=O)CSCc1ccc(Cl)s1 44715660 QAJFOTGTRGKZDV-QMMMGPOBSA-N 277.842 3.549 0 40 CHAB Clc1ccc(C2CCNCC2)c(Br)c1 89064185 SKHOPAOZXYRDNE-UHFFFAOYSA-N 274.589 3.570 0 40 CHAB O=C(/C=C/c1ccccc1Cl)N1CCc2ccccc2C1 579523 QVKCBTOVLBJCHP-MDZDMXLPSA-N 297.785 3.938 0 40 CHAB FC(F)Oc1cc(Br)c2nc(Cl)[nH]c2c1 258840159 ZCPQFFGQTIQEAN-UHFFFAOYSA-N 297.486 3.580 0 40 CHAB Cc1ccc(CNC(=O)Nc2c[nH]c3ccccc23)cc1 5299888 QMUKFSMOEHNQNQ-UHFFFAOYSA-N 279.343 3.798 0 40 CHAB FC(F)(F)c1cc(Br)cc2[nH]c(Cl)nc12 258828106 FBAWOEFWQCCFQQ-UHFFFAOYSA-N 299.477 3.998 0 40 CHAB O=C(CCc1ccccc1Cl)Nc1ccccc1 10457518 DRCJGGYPMCNWLZ-UHFFFAOYSA-N 259.736 3.911 0 40 CHAB Cc1cccc(C)c1NC(=S)N1CCn2cccc2[C@H]1C 16310292 NJJMLGZHRCLPNI-CQSZACIVSA-N 299.443 3.879 0 40 CHAB O=C(Cc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 38127069 ZEWSGPQNEXFNMR-UHFFFAOYSA-N 286.199 3.808 0 40 CHAB O=C(/C=C/c1ccccc1)NCCC1=CCCCC1 282821 MCWCQTQSPRJJMM-VAWYXSNFSA-N 255.361 3.707 0 40 CHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c(C)c1 364962 FNTGQGRATKJMQC-CVEARBPZSA-N 297.398 3.948 0 40 CHAB c1ccc2c(c1)OCCN2Cc1cccc2cccnc12 32825392 VLWDXOWZFRTSRX-UHFFFAOYSA-N 276.339 3.634 0 40 CHAB CC(C)OC(=O)c1cccc(NC(=O)c2ccccc2)c1 482273 ANOKHTFTTFPJTN-UHFFFAOYSA-N 283.327 3.504 0 40 CHAB Cc1cccc(N2C(=O)N(C(C)C)C(C)(C)C[C@@]2(C)O)c1 493994 JMUSPBXIFUWAHL-QGZVFWFLSA-N 290.407 3.523 0 40 CHAB C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)cc2)CCC[C@H]1C 103151064 QEHJUPGOGGULER-SUNKGSAMSA-N 265.784 3.895 0 40 CHAB CCOc1ccc(NC(=O)[C@@]2(C)C[C@@H]3C=C[C@H]2C3)cc1 979397 JSPMBDXGNFGWDS-IGCXYCKISA-N 271.360 3.626 0 40 CHAB CCOC(=O)CSc1nc2cc(C)ccc2cc1C 421029 XRAQZSZKDDKQRQ-UHFFFAOYSA-N 275.373 3.507 0 40 CHAB COc1cccc(C(=O)NC2CCCCCCC2)c1OC 496401 UAJFVOFOEUBDPT-UHFFFAOYSA-N 291.391 3.547 0 40 CHAB Cc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl 548523 DDWOCUSIOXUCPI-UHFFFAOYSA-N 271.707 3.760 0 40 CHAB COc1cccc(N2Cc3cc(C)c(C)cc3C2)c1 559649 VXCVVWIKAHWLJO-UHFFFAOYSA-N 253.345 3.832 0 40 CHAB Cc1ccccc1Cn1cnc2c(N)c(C)c(C)cc21 1388571 ZJAVJRLJLSNCOL-UHFFFAOYSA-N 265.360 3.592 0 40 CHAB Brc1cccc(-c2cnc3n2CCCC3)c1 1509240 FIQMDMXGISAFOS-UHFFFAOYSA-N 277.165 3.649 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2OC)cc1 1986121 HCUYJDOIPCFWRD-YRNVUSSQSA-N 297.354 3.664 0 40 CHAB CCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1O 4079352 FJAZHJWLZLBNNC-UHFFFAOYSA-N 295.338 3.822 0 40 CHAB biogenic O=C1CCCCCCCCOCCCCCCO1 5189357 MZLRFHKWWCSGHB-UHFFFAOYSA-N 256.386 3.851 0 40 CHAB CCOC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1C 6367425 IWEMHJDTRHIURH-UHFFFAOYSA-N 290.388 3.989 0 40 CHAB Cc1cc(C)cc(NC(=S)Nc2cccc(C)n2)c1 6614518 WAVQHNWUBUEJCT-UHFFFAOYSA-N 271.389 3.816 0 40 CHAB c1cc2c(s1)[C@H]1CCCC[C@@H]1O[C@]21CN2CCC1CC2 6668058 YOTNJKHOKZAJDD-QRTARXTBSA-N 289.444 3.725 0 40 CHAB Cc1ccc2[nH]c(C)c(/C=C/c3cc[n+](C)cc3)c2c1 6760043 HSODZLKRNDIKEN-UHFFFAOYSA-O 263.364 3.780 0 40 CHAB C[C@H]1CCC[C@@H](NC(=O)c2c(F)cccc2F)[C@@H]1C 6932620 BGNURWWVENGVGO-OPQQBVKSSA-N 267.319 3.519 0 40 CHAB COCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1 8015457 COEWRLPLPXNRET-UHFFFAOYSA-N 293.725 3.878 0 40 CHAB CN(CC(=O)Nc1cccc2ccccc12)Cc1ccco1 8198405 LMZOAJMPRRZFGX-UHFFFAOYSA-N 294.354 3.503 0 40 CHAB COc1ccccc1-n1nc(-c2ccccc2C)cc1O 9939841 SQHKWSHYQITHPJ-UHFFFAOYSA-N 280.327 3.562 0 40 CHAB Cc1csc(NC(=O)c2nc(-c3ccccc3)oc2C)n1 12684373 IXZXDYYGJMYCEO-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB CSc1ccc(CSc2nnc3ccccn23)cc1 12781498 RFYMSMYHNQSKDY-UHFFFAOYSA-N 287.413 3.744 0 40 CHAB CC(=O)Nc1ccc(/C=C\c2nc3ccccc3[nH]2)cc1 13403805 ZJIDCAOFDMDDIC-FLIBITNWSA-N 277.327 3.692 0 40 CHAB Nc1cccc(-c2nnc(-c3cccc(Cl)c3)o2)c1 19771758 MIEDCKXMMQMZEQ-UHFFFAOYSA-N 271.707 3.639 0 40 CHAB CC(C)(C)c1ccc(O)c(NC(=O)CCc2cccnc2)c1 21006745 AUKCIRJOUYHHLP-UHFFFAOYSA-N 298.386 3.656 0 40 CHAB O=C(OCc1ccccc1Cl)c1cnc2ccccc2n1 21888449 ZAASVMIDIUCGMC-UHFFFAOYSA-N 298.729 3.640 0 40 CHAB Cc1nc(CCNC(=O)c2ccc3ccccc3c2)cs1 22527091 RJVPIVVQSVZVKV-UHFFFAOYSA-N 296.395 3.577 0 40 CHAB C/C=C/C=C/C(=O)N[C@@H](C)c1cccc(Br)c1 30468064 FPMCMGCZGLLZNN-NVLXPRRZSA-N 294.192 3.759 0 40 CHAB Cc1ccc(Oc2ccc3c(c2)CN(C)CC3)cc1 31720564 RSBHKHLSLSYEHV-UHFFFAOYSA-N 253.345 3.775 0 40 CHAB Cc1ccc2cc(C=O)c(N3CCC(C)CC3)nc2c1 32826061 LACWYIOICJEFOT-UHFFFAOYSA-N 268.360 3.592 0 40 CHAB Cc1c(C(=O)O)sc2nc(-c3ccc(Cl)cc3)cn12 33418084 RXJXVRNHVDNUBG-UHFFFAOYSA-N 292.747 3.723 0 40 CHAB CC/C=C\CCOC(=O)c1cc(Br)ccc1N 39951691 HDDHBOMDFLJZBE-ARJAWSKDSA-N 298.180 3.544 0 40 CHAB CNc1ccccc1C(=O)Nc1ccc(C)cc1C 41636342 LPASYKYJCVOMTN-UHFFFAOYSA-N 254.333 3.597 0 40 CHAB COc1cccc(C[C@@H]2CCCc3ccccc3[C@@H]2O)c1 43659840 IXZRDQTZBDQQAZ-QFBILLFUSA-N 282.383 3.924 0 40 CHAB CC[C@@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 44595795 LCCSQMXWROEXPI-SECBINFHSA-N 274.191 3.841 0 40 CHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC1CCCCC1 44765817 MIMXHKXNOOMBKF-KRWDZBQOSA-N 289.419 3.910 0 40 CHAB Cc1ccc(NC(=S)NCc2cccc(F)c2)c(C)c1 46415887 WREHJZISBHCIDS-UHFFFAOYSA-N 288.391 3.929 0 40 CHAB Cc1cc(C)c(Nc2ccc(C(=O)O)cn2)c(Cl)c1 49870602 XZNBLCWOIXOFLR-UHFFFAOYSA-N 276.723 3.794 0 40 CHAB COc1ccc2cc([C@@H](O)c3ccoc3)ccc2c1 49956078 WNGGAGLMUMWXFP-MRXNPFEDSA-N 254.285 3.523 0 40 CHAB C[C@@H](c1cccs1)N(C)Cc1cn2ccccc2n1 57977063 ATZUJRVRKQEEAZ-LBPRGKRZSA-N 271.389 3.589 0 40 CHAB CCN(c1ccc(C(=O)Nc2ccccc2O)cc1)C(C)C 63876461 AZJRJXIZVRYRHY-UHFFFAOYSA-N 298.386 3.879 0 40 CHAB CCN(C(=O)c1cccc(OC)c1OC)c1ccccc1C 69387959 RDPZMVQHVYZKTI-UHFFFAOYSA-N 299.370 3.679 0 40 CHAB CC(=O)N1CCCC[C@H]1c1ccc(SC(C)C)nc1 72217515 NCJQJJZKUNHJEY-AWEZNQCLSA-N 278.421 3.656 0 40 CHAB CCCCN1CCCC[C@@H]1c1cnc(NC)c(C)c1 72219004 BWNHDBCHFGQOGQ-OAHLLOKOSA-N 261.413 3.759 0 40 CHAB N[C@H](c1ccccc1)c1ccc(NCc2ccccc2)nc1 72225355 UOROBKBCBIDAJN-LJQANCHMSA-N 289.382 3.742 0 40 CHAB Cc1ncc(NC(=O)NC2CCCCC2)c(C)c1Cl 72264661 SPHLCPSAMHBWMD-UHFFFAOYSA-N 281.787 3.806 0 40 CHAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)C(C)(C)c1ccccc1 78743215 QLUUWDDYAWURJA-HUUCEWRRSA-N 271.404 3.825 0 40 CHAB Cc1ccsc1CN(C)C(=O)C1=C(Cl)CCC1 89702022 ULNLGFUJYWUEDS-UHFFFAOYSA-N 269.797 3.692 0 40 CHAB CC(C)(C)Oc1ccc(C(=O)C(F)(F)Cl)cc1 95916116 JJYHVXVORNUGGA-UHFFFAOYSA-N 262.683 3.878 0 40 CHAB c1ccc(Nc2nc(Cc3ccsc3)cs2)nc1 96124522 YRTZPUGQEJSFCM-UHFFFAOYSA-N 273.386 3.934 0 40 CHAB CCCOc1ccccc1C(=O)NCCc1cccs1 96319239 LURYPULHKPIDNN-UHFFFAOYSA-N 289.400 3.509 0 40 CHAB O=C(Nc1ccc(Br)cc1)[C@H]1C[C@H]2C=C[C@H]1C2 101407176 KXSCLZWHRGQIQQ-KWBADKCTSA-N 292.176 3.600 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101489395 GITAKVTZYVRZDB-GKLJAUDBSA-N 287.403 3.640 0 40 CHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCCC1 113951116 IJZQWMXSKZPJRX-QGZVFWFLSA-N 283.371 3.620 0 40 CHAB Cc1cccc(COc2cc(Cl)c(O)c(C(=O)O)c2)c1 216932354 OZCVCTBHYWZRKH-UHFFFAOYSA-N 292.718 3.631 0 40 CHAB O=C(CSCc1ccc(F)cc1)NCC1=CCCCC1 224378609 UIZFCZSVRWKXOO-UHFFFAOYSA-N 293.407 3.676 0 40 CHAB COCOc1ccc(Br)c2ccccc12 1083799983 ITSQNSSTBVTEBE-UHFFFAOYSA-N 267.122 3.585 0 40 CHAB Cc1nc(Nc2ccc(F)cc2F)cc(C(F)F)n1 1888879640 BLHWAZQEGMMHMD-UHFFFAOYSA-N 271.217 3.744 0 40 CHAB O=C(O)c1ccc(CSc2ccc(Cl)cc2)o1 138736 IOKGMENCMIZSOW-UHFFFAOYSA-N 268.721 3.924 0 40 CHAB O=C(Nc1cc(-c2ccccc2)ns1)c1ccco1 78792161 VJPVTJCWCXPVAM-UHFFFAOYSA-N 270.313 3.655 0 40 CHAB CCCc1sc(NC(C)=O)nc1-c1ccccc1 1598302 UWICJWINZWQAMW-UHFFFAOYSA-N 260.362 3.721 0 40 CHAB CCOC(=O)c1ccc2c([nH]c3ccccc32)c1C 1724319 IKHIJDXIBGMNQB-UHFFFAOYSA-N 253.301 3.806 0 40 CHAB Cc1cccc(F)c1C(=O)NC1CCCCCCC1 79069014 KIFNXSOEBOCAJP-UHFFFAOYSA-N 263.356 3.977 0 40 CHAB O=C(c1cccc(CN2CCSCC2)c1)C1CCCC1 2515317 WXTIBQGWYCOUGC-UHFFFAOYSA-N 289.444 3.608 0 40 CHAB CCCC(=O)Nc1nc2c(C)cc(Cl)cc2s1 4331372 ZOIYDSWUIMTXPS-UHFFFAOYSA-N 268.769 3.997 0 40 CHAB COc1ccc(OCCCn2c(C)nc3ccccc32)cc1 4741831 CPRSUJGUTQXBJJ-UHFFFAOYSA-N 296.370 3.822 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N[C@@H](c1nccs1)C1CC1 107502047 VGYFYSPKFNGRSS-MUYACECFSA-N 290.432 3.537 0 40 CHAB O=C1c2ccccc2[C@]2(Br)[C@@H]3CC[C@H](C3)[C@H]12 101038044 DTGPQHLJVNVICK-ULSKOJAOSA-N 277.161 3.519 0 40 CHAB C[C@H](NC(=O)c1ccnc(Cl)c1)c1ccc(F)cc1F 27578447 BUOQQTHJPUGZGH-QMMMGPOBSA-N 296.704 3.504 0 40 CHAB CC(C)C[C@H](C)N1CCC(C(=O)NC2CCCCC2)CC1 95457071 GHRCACKUQSMIDE-HNNXBMFYSA-N 294.483 3.582 0 40 CHAB Cc1cc(C)cc(OCCn2c(C=O)nc3ccccc32)c1 11735059 OESPRGBEIHPLBX-UHFFFAOYSA-N 294.354 3.545 0 40 CHAB O=c1[nH]c(Nc2cccc3ccccc23)nc2c1CCCC2 11903477 RWJQZYRWUJPPJK-UHFFFAOYSA-N 291.354 3.546 0 40 CHAB Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1 20220972 MLCWNIBBTJKWHX-UHFFFAOYSA-N 299.132 3.967 0 40 CHAB Cc1nn2c(C(F)(F)F)cc(C3CC3)nc2c1Cl 2786481 JUMWIIRWDREPDW-UHFFFAOYSA-N 275.661 3.587 0 40 CHAB CC(C)(C)C(=O)Nc1cccc(-c2nccs2)c1 47408928 CYCZNGSEIZZIIK-UHFFFAOYSA-N 260.362 3.795 0 40 CHAB CCOc1cc2c(cc1NC(=O)c1ccccc1)O[C@H](C)C2 12978499 YRXZIGSWWGEUGQ-GFCCVEGCSA-N 297.354 3.661 0 40 CHAB c1ccc(Nc2nn3c(-c4cccs4)nnc3s2)cc1 6659507 HBQDDYYPMZNANR-UHFFFAOYSA-N 299.384 3.658 0 40 CHAB c1ccc2c(OCC[C@@H]3CCCNC3)cccc2c1 14632378 XDZAFYJOKHSMME-AWEZNQCLSA-N 255.361 3.608 0 40 CHAB CCCc1cc(=O)[nH]c(Nc2ccc(Cl)c(Cl)c2)n1 5625379 PLGBHHLEGBEVQY-UHFFFAOYSA-N 298.173 3.773 0 40 CHAB CCCC[C@@H](CC)CNC(=O)Cc1ccc(F)cc1 17173088 NKCRPQMTXRVGAI-CYBMUJFWSA-N 265.372 3.701 0 40 CHAB COc1ccccc1-c1csc(-c2ccccn2)n1 8488281 KLFSUDBDPLJVIQ-UHFFFAOYSA-N 268.341 3.881 0 40 CHAB COc1ccccc1NC(=O)N[C@@H](C)c1ccc(F)cc1 18173477 ONQGKVFHTFWXFB-NSHDSACASA-N 288.322 3.717 0 40 CHAB COc1ccc(CCC(=O)N[C@H](C)c2ccccc2C)cc1 23524746 HOSQCUOGSSBVBC-OAHLLOKOSA-N 297.398 3.814 0 40 CHAB Cc1nc(N)sc1Cc1cccc(Cl)c1Cl 36219657 LOHDUMGXNOIRSZ-UHFFFAOYSA-N 273.188 3.931 0 40 CHAB CCn1nc(C)c(NC(=O)c2ccc(-c3ccco3)o2)c1C 72243266 SKPFAITVELEWGS-UHFFFAOYSA-N 299.330 3.625 0 40 CHAB CCN1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 72212948 FXQSJNVYRPNRIR-INIZCTEOSA-N 275.440 3.862 0 40 CHAB CC(=O)N1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 72217355 GAMCJRGLXNCQPT-ZDUSSCGKSA-N 278.421 3.656 0 40 CHAB CCCOc1ccc(C(=O)NCc2cccc(C)c2)cc1 31109005 OXPDMEVOBBGTMH-UHFFFAOYSA-N 283.371 3.714 0 40 CHAB CCN1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216634 NDGBCULDKIDPPN-INIZCTEOSA-N 273.424 3.619 0 40 CHAB CCOC(=O)C[C@@H](c1ccccc1Cl)N(CC)CC 72210302 DUCXPIVTPBAUBK-AWEZNQCLSA-N 283.799 3.676 0 40 CHAB CCc1ccc(-c2csc(CCCOC)n2)cc1 63630252 UGIALYDEAJNSIK-UHFFFAOYSA-N 261.390 3.952 0 40 CHAB CC[C@H](C)c1cc(Cl)ccc1O[C@H]1CCCNC1 42775396 GHPIVTYDLTZREQ-AAEUAGOBSA-N 267.800 3.984 0 40 CHAB CCc1cccc(C)c1NC(=O)COc1cccc(OC)c1 40946373 IMJISDMFUZIGDA-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB Cc1ccc(-c2nc3ccc(F)cc3s2)cc1N 45920004 JYEBDWIZIIMAIE-UHFFFAOYSA-N 258.321 3.993 0 40 CHAB CCc1nnc(NC(=O)c2sccc2C(C)C)s1 48877323 IWLOHHSDHDATFO-UHFFFAOYSA-N 281.406 3.538 0 40 CHAB Cc1ccc(C)c(CC(=O)NCC2CCCCC2)c1 224392668 HJDJPLGWKHBYQX-UHFFFAOYSA-N 259.393 3.542 0 40 CHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1 224130722 MOOZGBNMVSLHFE-GFCCVEGCSA-N 293.794 3.724 0 40 CHAB Cc1cc(-c2nc3ccccc3s2)ccc1-n1cnnc1 45886960 DPSWLYIWKSQPIN-UHFFFAOYSA-N 292.367 3.852 0 40 CHAB COc1cc(C=O)ccc1OCc1cccc(C)c1C 95098646 QWGGBXQABWWPAF-UHFFFAOYSA-N 270.328 3.704 0 40 CHAB CO[C@H]1c2cc(C(C)C)ccc2O[C@H]2OCCC[C@H]21 257278350 OBXAPUHWIICYGI-APHBMKBZSA-N 262.349 3.643 0 40 CHAB O=C1[C@@H](Oc2ccccc2Cl)CCN1C1CCCCC1 530161989 WISNEFAJNVKGKG-HNNXBMFYSA-N 293.794 3.652 0 40 CHAB COc1cc(C(=O)C(F)(F)Br)ccc1Cl 382708484 VRNSHAMNXFMPEV-UHFFFAOYSA-N 299.498 3.519 0 40 CHAB CCc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C 381636362 WIYJLTIUAOJAIA-UHFFFAOYSA-N 293.366 3.978 0 40 CHAB CC(C)[C@H]1CCCCN1c1ccc2cccc(O)c2n1 685938236 MHFOEZIKRUIWPX-CQSZACIVSA-N 270.376 3.955 0 40 CHAB COCCN(C)C(=O)Nc1cccc(-c2cccs2)c1 71853984 DDHSNHUIRHTIRJ-UHFFFAOYSA-N 290.388 3.525 0 40 CHAB O=Cc1cc2ccc(Br)c(F)c2s1 306938338 MUTRNDIAENBELK-UHFFFAOYSA-N 259.099 3.615 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 19803809 KZXKAZVFLRSDMB-UHFFFAOYSA-N 274.751 3.737 0 40 CHAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1C 13582366 GTZHBBDTIYXCEO-UHFFFAOYSA-N 283.371 3.666 0 40 CHAB COc1cc(C/C=C/c2ccccc2)c(OC)cc1O 1560397 MGFYJNMOZGSGMU-RMKNXTFCSA-N 270.328 3.665 0 40 CHAB in-vitro NC(=S)c1cc(Cl)nc(Oc2ccc(Cl)cc2)c1 166655 TVDUOHYIGHFRDK-UHFFFAOYSA-N 299.182 3.815 0 40 CHAB CCOc1ccc(NC(=O)N2CCC(=C3CC3)CC2)cc1 238920837 TVNOXVUMQDPBDP-UHFFFAOYSA-N 286.375 3.803 0 40 CHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NC2CCCCC2)C1 100984466 ASNMQJHTWVLBJY-WMLDXEAASA-N 278.440 3.929 0 40 CHAB C[C@H](NC(=O)C(C)(C)C)c1ccc2c(c1)CCCC2 28019810 MMXNRLHNXBOZLA-LBPRGKRZSA-N 259.393 3.789 0 40 CHAB CC(=O)N(Cc1cccnc1)c1nc2c(C)cccc2s1 4273211 HBQKVWYYQDCDOQ-UHFFFAOYSA-N 297.383 3.553 0 40 CHAB O=C(NCc1cccs1)Nc1c[nH]c2ccccc12 5299895 BKELMVKIJFYNEJ-UHFFFAOYSA-N 271.345 3.551 0 40 CHAB O=C(NCc1cncc(C2CC2)c1)c1cc2ccccc2o1 575619829 OKVHXIPZYBUXJL-UHFFFAOYSA-N 292.338 3.635 0 40 CHAB CCSc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 18176895 GCEHVSRQHQUQIF-BETUJISGSA-N 277.433 3.917 0 40 CHAB Fc1cccc(Cl)c1CSc1nncn1C1CC1 40038993 WPAWPUHMFSJPFN-UHFFFAOYSA-N 283.759 3.698 0 40 CHAB Cc1ccc2ccccc2c1CSc1ncn[nH]1 52112 MXCSSVPTZSJCQZ-UHFFFAOYSA-N 255.346 3.559 0 40 CHAB O=c1oc2ccc(Cl)cc2cc1-c1nc2ccccc2[nH]1 195527 SALMZXUHPJBGRH-UHFFFAOYSA-N 296.713 3.990 0 40 CHAB CC(C)COc1ccc(C(=O)CCN2CCCCC2)cc1 340681 ZOQKGTTZAAQHHZ-UHFFFAOYSA-N 289.419 3.780 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1cccc(Oc2cnccn2)c1 32817535 OTBGWMHYGDEHRP-ZDUSSCGKSA-N 295.342 3.564 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nc2ccncc2)cc1 512074 XDXGSHMQWOPKFK-UHFFFAOYSA-N 254.333 3.631 0 40 CHAB CC1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 137860 YGOKXPYSMYEJLK-UHFFFAOYSA-N 291.782 3.622 0 40 CHAB C[C@H](Oc1ccccc1F)C(=O)Oc1ccc(Cl)cc1 460931 BNDDVIJTQSVCHZ-JTQLQIEISA-N 294.709 3.852 0 40 CHAB Cn1nc(-c2ccccc2)c([C@@H](O)c2ccccc2)c1Cl 1388816 JHDGCHUAGSRJDI-INIZCTEOSA-N 298.773 3.822 0 40 CHAB O=S(=O)(c1ccccc1)c1cc(Cl)sc1Cl 1592193 ZYTFQBNKIUPVIN-UHFFFAOYSA-N 293.196 3.888 0 40 CHAB C[C@H](CSc1nnc(S)s1)c1ccccc1 1680643 WLPPNYHLMKDMPV-MRVPVSSYSA-N 268.432 3.723 0 40 CHAB CCCC[C@H](CC)C(=O)NCc1ccccc1OC 2064682 DGHXBLQDTBOMPC-ZDUSSCGKSA-N 263.381 3.528 0 40 CHAB biogenic O=C(Nc1cccc(C(F)(F)F)c1)C1CCCC1 2168712 PPEXRKPFMAVBPF-UHFFFAOYSA-N 257.255 3.834 0 40 CHAB in-vitro CCCNc1cc(C)nc2c(-c3ccccc3)c(C)nn12 2402643 GBFGOYDCWVDXCB-UHFFFAOYSA-N 280.375 3.835 0 40 CHAB CCCCC[C@H](C)NC(=S)Nc1ccc(OC)cc1 3328824 YNVQRYYPYJARHU-LBPRGKRZSA-N 280.437 3.950 0 40 CHAB CC(C)(C)c1csc(NC(=O)c2ccccc2F)n1 3528644 OHEAHTLYFIKSSX-UHFFFAOYSA-N 278.352 3.832 0 40 CHAB COc1ccc2c(CC(=O)Nc3ccccc3F)coc2c1 3608751 YOJDIIYNZZLNMW-UHFFFAOYSA-N 299.301 3.762 0 40 CHAB O=C(O)C1(Cc2nc3ccccc3s2)CCCCC1 4218181 VZNVKRYUHBRZPB-UHFFFAOYSA-N 275.373 3.874 0 40 CHAB Cc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 4257160 SDVRHHMDKCISGU-UHFFFAOYSA-N 283.415 3.941 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl 5062716 IRHXSRDJGIHAHB-HZMBPMFUSA-N 283.774 3.717 0 40 CHAB CCCCCCO[C@H](CN(C)C)C(Cl)(Cl)Cl 5524043 NDFVUXIYNXJRED-SNVBAGLBSA-N 290.662 3.884 0 40 CHAB O=C(NCCCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1 6227639 DTOJOQTXTNWPRQ-OALUTQOASA-N 293.410 3.929 0 40 CHAB c1ccc(CCNC2C3CC4CC(C3)CC2C4)cc1 6650878 UWGBZOSNLUFUIB-UHFFFAOYSA-N 255.405 3.643 0 40 CHAB CCC(CC)NC(=S)Nc1ccc(C)c(C)c1 7529451 HKYPUPFCUAHMIC-UHFFFAOYSA-N 250.411 3.778 0 40 CHAB CC[C@@H](CCNCc1ccc(C)o1)NCc1ccc(C)o1 8480547 DLQMXCFABCMHSV-HNNXBMFYSA-N 290.407 3.538 0 40 CHAB CC(C)CCNC(=O)Cc1csc(-c2ccsc2)n1 9114307 FKRKKOWZGDMIEJ-UHFFFAOYSA-N 294.445 3.576 0 40 CHAB CC(C)[C@H](C)NC(=O)Cc1csc(-c2cccs2)n1 9218426 LKFBHJUBFFTGAL-JTQLQIEISA-N 294.445 3.575 0 40 CHAB CC1CCC(NC(=O)c2ccc3ccccc3n2)CC1 9454683 VJJGQRHHAHIHQU-UHFFFAOYSA-N 268.360 3.543 0 40 CHAB Cc1ccc(OCCNC(=O)c2ccc(C)c(C)c2)c(C)c1 9888547 JPOGGIMLLHDOAD-UHFFFAOYSA-N 297.398 3.729 0 40 CHAB CCc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1 10253814 SWHRPEPPIFHWKB-UHFFFAOYSA-N 299.355 3.613 0 40 CHAB Cc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1 11757381 MVEYHBUIXRHQGW-UHFFFAOYSA-N 286.356 3.686 0 40 CHAB O=C(NCCCc1ccc(Cl)cc1)c1ccccc1 13646978 BVJQUXNIANLPGI-UHFFFAOYSA-N 273.763 3.703 0 40 CHAB CC[C@H](C)NC(=O)N[C@H](CC)c1cccc(Cl)c1 13746453 YMBFKFJZXJPYFP-GXFFZTMASA-N 268.788 3.889 0 40 CHAB Cc1ccsc1CN(CCCO)Cc1cccs1 13997282 CNWUPWIIOMJKLT-UHFFFAOYSA-N 281.446 3.503 0 40 CHAB O=C(c1ccc(Cl)cc1)N1CC[C@@H]2CCCC[C@H]2C1 16400799 VGTBJPHCCSPXEH-JSGCOSHPSA-N 277.795 3.992 0 40 CHAB Cc1ccc(C)c(C(=O)NCCSc2ccccc2)c1 18214492 SRVNRIHBDYNWQQ-UHFFFAOYSA-N 285.412 3.826 0 40 CHAB C[C@@H]1CCCN(Cc2c([C@H]3CCCO3)[nH]c3ncccc23)C1 19496568 VDPLXOGYOJQZNK-CZUORRHYSA-N 299.418 3.646 0 40 CHAB Cc1ccc(CC(=O)NCc2ccc(OC(C)C)cc2)cc1 20110996 UFTBTRLCPCPEGG-UHFFFAOYSA-N 297.398 3.641 0 40 CHAB CCOC(=O)c1ccc(-c2nc3ccccc3o2)cc1 20136174 HWMZPCZXJFTLTD-UHFFFAOYSA-N 267.284 3.672 0 40 CHAB C[C@H](NC(=O)NC1CCCC1)c1ccc(Cl)cc1 20538484 MUKNLKICPNTQHM-JTQLQIEISA-N 266.772 3.643 0 40 CHAB CCCCOC(=O)CSc1nc2cc(Cl)ccc2[nH]1 22609559 DPGRTLVBGSYPNB-UHFFFAOYSA-N 298.795 3.652 0 40 CHAB Cc1ccc(NC(=O)Nc2ccnn2C2CCCC2)cc1 28247697 DXBVFJVMLOAAOK-UHFFFAOYSA-N 284.363 3.951 0 40 CHAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)C=C[C@@H]12 36458247 KAECVEVIXKMEOP-GFEQUFNTSA-N 284.399 3.688 0 40 CHAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccco1 38372065 VVVFSNAUWCHYLJ-JTQLQIEISA-N 289.360 3.584 0 40 CHAB Brc1ccc(CCO[C@H]2CCCCO2)cc1 39592908 HGKHQEVNPHCQCH-ZDUSSCGKSA-N 285.181 3.535 0 40 CHAB Cc1ccc(NC(=O)NCCc2cccs2)cc1F 40098016 XUESAZKTEXLKDO-UHFFFAOYSA-N 278.352 3.560 0 40 CHAB Cc1cccc([C@H]2CCCN2C(=O)Nc2cccnc2)c1 56354098 RKYQOMKMFMHREU-MRXNPFEDSA-N 281.359 3.759 0 40 CHAB Cc1cc(N)cc(Br)c1N1CCCC[C@@H]1C 57326473 OUHRBBHRBZARCX-JTQLQIEISA-N 283.213 3.719 0 40 CHAB O=C(c1cccs1)N1CCSc2ccccc21 58007576 DFAQJTXMCRMDSS-UHFFFAOYSA-N 261.371 3.501 0 40 CHAB O=C(/C=C/c1cccs1)N(Cc1ccco1)C1CC1 58278794 KNCBPZQNZPWKFH-BQYQJAHWSA-N 273.357 3.546 0 40 CHAB CC(C)Oc1ccc(NC(=O)OCC(F)(F)F)cc1 69492836 YTQWWZWPEHYCFI-UHFFFAOYSA-N 277.242 3.585 0 40 CHAB CCCCc1nn(-c2ccccc2)c(Cl)c1C=O 71976525 FCAIBCFTQPAGNE-UHFFFAOYSA-N 262.740 3.681 0 40 CHAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C)cc1 72238803 YSGJTIZOEISSTD-UHFFFAOYSA-N 291.398 3.909 0 40 CHAB CCCN1CC=C(c2nc3ccccc3s2)CC1 73636251 QNRPDEXZTUQSNG-UHFFFAOYSA-N 258.390 3.795 0 40 CHAB Cc1cccc(NC(=O)C[C@H]2OCCc3ccsc32)c1 75458942 WERACPQQNHSCSZ-CQSZACIVSA-N 287.384 3.699 0 40 CHAB Cc1ncc(CSCc2nnc(C(C)(C)C)o2)s1 95412911 BJHMGSMUVVEUKW-UHFFFAOYSA-N 283.422 3.565 0 40 CHAB Cc1nnc(CN[C@H](c2ccc(Cl)cc2)C2CC2)s1 95987468 BRWSKUNENXNHAP-AWEZNQCLSA-N 293.823 3.741 0 40 CHAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2ncccc12 96306359 ZNDMDZQHAYTWQX-UHFFFAOYSA-N 288.759 3.763 0 40 CHAB CC(C)c1ocnc1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 98013334 OPOSAVOLQDAOBA-AGIUHOORSA-N 276.380 3.591 0 40 CHAB O=C(Nc1ccc(F)cc1)c1cccc2c1CCCC2 98073330 LMHZYIJEOIDSJB-UHFFFAOYSA-N 269.319 3.957 0 40 CHAB CCN1C(=O)/C(=C\c2cccs2)c2ccccc21 201378247 RVPZBVDDHAFRMC-RAXLEYEMSA-N 255.342 3.655 0 40 CHAB COc1ccc(-c2nc3cc(C)cc(Cl)c3[nH]2)cc1N 216918646 MWYYHMNFAOATGD-UHFFFAOYSA-N 287.750 3.783 0 40 CHAB CCNCc1c(C)n(C)c2ccc(O[C@@H](C)CC)cc12 223764441 NNJJGBLGCJGXSI-LBPRGKRZSA-N 274.408 3.774 0 40 CHAB Cc1ccc(C(=O)Sc2nnc(-c3ccccc3)o2)cc1 408528414 HODIBFFUHYQPNE-UHFFFAOYSA-N 296.351 3.978 0 40 CHAB CC[C@H](C)OCc1nn(CCC(F)(F)F)cc1Cl 408715387 LSSIYWOPXRCBGQ-QMMMGPOBSA-N 284.709 3.804 0 40 CHAB Cc1cc2c(cc1C)CN(c1ccc(C=O)cc1)C2 408729899 KRDAYBCTTIKZSK-UHFFFAOYSA-N 251.329 3.636 0 40 CHAB CCC[C@@H](Nc1cn(C)nc1CC)c1ccc(OC)cc1 537478859 YCJCQCRXWMFKDO-MRXNPFEDSA-N 287.407 3.944 0 40 CHAB CC[C@H](C)C(=O)c1ccc(OC)c(C(F)(F)F)c1 575360779 MOGMTMLUDFWVFE-QMMMGPOBSA-N 260.255 3.943 0 40 CHAB CC=C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(NC(C)=O)cc1 1775995973 PGEIYANIIUYVDL-HDICACEKSA-N 284.403 3.718 0 40 CHAB CCN(CC)CCNc1ccnc2cc(Cl)ccc12 6792 OJGAAQMNLKYWSQ-UHFFFAOYSA-N 277.799 3.642 0 40 CHAB O=C(c1c[nH]c2ccccc12)[C@@H](O)c1ccc(Cl)cc1 33818 SJCNNQWSIPIPDF-HNNXBMFYSA-N 285.730 3.738 0 40 CHAB O=C1O[C@H](Nc2ccccc2Cl)c2ccccc21 100153 UHUVPNDWWLXSCC-ZDUSSCGKSA-N 259.692 3.621 0 40 CHAB CC(C)Cc1nn2cc(-c3ccccc3)nc2s1 151496 HYAHKKPXCZWKAE-UHFFFAOYSA-N 257.362 3.656 0 40 CHAB CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 226145 RAMOPUQSANSFCE-UHFFFAOYSA-N 291.803 3.992 0 40 CHAB Cc1ccc([C@]2(CC(=O)O)CCO[C@H](C(C)C)C2)cc1 488611 ZSAAYPTYOKXXHF-DOTOQJQBSA-N 276.376 3.543 0 40 CHAB biogenic CC1=C[C@H]2[C@H](c3ccccc3)Nc3ccccc3N2C1=O 1558539 FTURAVHDLMSXIS-IRXDYDNUSA-N 276.339 3.515 0 40 CHAB Cc1cc2cc3c(c(C(=O)O)c2o1)C(=O)c1ccccc1C3 1613027 XIFXEJCNUXYLPZ-UHFFFAOYSA-N 292.290 3.575 0 40 CHAB CCOC(=O)c1ccc(Nc2nc3ccccc3o2)cc1 1704897 WXXLGYZLPXGQLR-UHFFFAOYSA-N 282.299 3.748 0 40 CHAB CC(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C 2972276 LOFDREKEROPVNZ-UHFFFAOYSA-N 283.356 3.625 0 40 CHAB O=C1[C@H]2CC=C[C@@H]2C1(c1ccccc1)c1ccccc1 4072574 DNZJVCHYHROQDV-IRXDYDNUSA-N 260.336 3.748 0 40 CHAB C[C@@H]1C(O)[C@@H](C)[C@@H](c2cccs2)N[C@@H]1c1cccs1 4099761 CPNYMZKNSCYTRC-NUZBWSBOSA-N 293.457 3.828 0 40 CHAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccsc1 5000774 DSJHOHAURUJZPX-WUXMJOGZSA-N 289.743 3.746 0 40 CHAB CCO[C@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1 5247606 GOKVIMNWZMCYMH-IAGOWNOFSA-N 269.344 3.932 0 40 CHAB Cc1cc(C)c(NC(=O)c2cccnc2Cl)c(C)c1 5534671 PKVOSVONLSZGHT-UHFFFAOYSA-N 274.751 3.913 0 40 CHAB CSc1cnnc(S)c1SCc1ccccc1 6556154 COYNUBFDHBRLKC-UHFFFAOYSA-N 280.443 3.780 0 40 CHAB CC[C@H](C)[C@H](N)c1nnc(SCc2ccccc2F)o1 6707332 PLNKIEDQPPUBSN-CABZTGNLSA-N 295.383 3.547 0 40 CHAB CC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8156630 UFDQYBBDDNTXCB-UHFFFAOYSA-N 280.302 3.881 0 40 CHAB Clc1ccc(/N=c2\ssnc2Cl)cc1 12428974 UKVZDQXUGYXTLF-FLIBITNWSA-N 263.174 3.744 0 40 CHAB Cc1cc(C)cc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 12555097 XTBRFCQVAOCEFM-GOSISDBHSA-N 294.398 3.735 0 40 CHAB c1ccc2c(c1)CCCN2Cc1nc2ccccc2[nH]1 12560434 KTWDLFNXSPLORN-UHFFFAOYSA-N 263.344 3.516 0 40 CHAB CC(C)(CO)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@H]21 12655020 UUJKDBXPGVPHKQ-UYJHQMFVSA-N 264.409 3.545 0 40 CHAB biogenic Cc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2ncnn21 13131664 POGWTRRCYJWWKQ-DLBZAZTESA-N 290.370 3.733 0 40 CHAB aggregator O=C(c1cc2ccccc2o1)c1ccc(F)cc1F 14189247 HXSOMULVQXBVAL-UHFFFAOYSA-N 258.223 3.942 0 40 CHAB O=C(NCc1ccc(F)cc1)c1cc(Cl)ccc1F 15426052 XOEYVUGALUGXGP-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB CN(C)[P@@]1(=O)OC[C@H](C(C)(C)C)CN1c1ccccc1 17108721 ZBODYXOCADRNMW-ZUOKHONESA-N 296.351 3.855 0 40 CHAB c1ccc(C[C@H]2NCCc3c2[nH]c2ccccc32)cc1 19848891 LHVNPTMRAQQPID-QGZVFWFLSA-N 262.356 3.597 0 40 CHAB biogenic C[C@H](NCc1ccc(F)cc1)c1nc2ccccc2n1C 19943948 YKMHIZYYUQRAAT-LBPRGKRZSA-N 283.350 3.563 0 40 CHAB c1ccc2sc(Nc3ccc4c(c3)OCO4)nc2c1 20305682 PLLNURJTYWMWRQ-UHFFFAOYSA-N 270.313 3.769 0 40 CHAB O=C(NCc1cccc(Cl)c1)c1cc(F)ccc1F 22565959 FGKRKYPGVUZSDI-UHFFFAOYSA-N 281.689 3.548 0 40 CHAB O=C(/C=C/c1ccc2c(c1)CCO2)NCCC1=CCCCC1 26073086 XNCXOZAGOIUGJN-VQHVLOKHSA-N 297.398 3.641 0 40 CHAB Cc1ccc(NC(=O)c2cc(C3CC3)on2)c2cccnc12 27144873 LRAXQGZPENHWGM-UHFFFAOYSA-N 293.326 3.661 0 40 CHAB Cc1cc(Cl)n2nc(C)c(-c3ccccc3C)c2n1 38478139 PSWFLQZVPQVTET-UHFFFAOYSA-N 271.751 3.975 0 40 CHAB O=C(NCC1CC1)c1csc(-c2ccc(Cl)cc2)n1 40050145 VNTMMZIKBPUNQZ-UHFFFAOYSA-N 292.791 3.603 0 40 CHAB COC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1 45920066 DYKXRUSLIIZUOL-UHFFFAOYSA-N 287.315 3.889 0 40 CHAB C[C@H](CCc1ccccc1)NC[C@@H](C)C(=O)OC(C)(C)C 47219109 PFAQPKYRXXXRNK-HUUCEWRRSA-N 291.435 3.575 0 40 CHAB Cc1ccccc1CS[C@@H](C)C(=O)NC1CCCC1 58172227 UDXCJCDEPGKDRB-ZDUSSCGKSA-N 277.433 3.676 0 40 CHAB O=C(O[C@@H](c1ccccc1)c1ccncc1)c1ccco1 62680778 YUQBEUYIRVFHEG-INIZCTEOSA-N 279.295 3.621 0 40 CHAB CC(C)(C)C(=O)NCc1ccc(Oc2ccccc2)nc1 69420596 NCVSDUHHCOLPSX-UHFFFAOYSA-N 284.359 3.536 0 40 CHAB Cc1ccc(C)c(CSCc2nnc(C3CC3)o2)c1 69818862 FCEDILCUXPIXLH-UHFFFAOYSA-N 274.389 3.997 0 40 CHAB Cc1ccc([C@H]2CCCN2Cc2nnc(C3CC3)o2)cc1C 71830718 DOEZAUHREBSUDO-MRXNPFEDSA-N 297.402 3.901 0 40 CHAB CCn1c(C(=O)O)cc2ccc(OCc3ccccc3)cc21 71976885 AXMHNDBQDWGZJK-UHFFFAOYSA-N 295.338 3.938 0 40 CHAB O=CN1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217589 ZJBLZKTWKBBFQN-OAHLLOKOSA-N 284.384 3.526 0 40 CHAB CC(C)c1noc2ncc(-c3nnc([C@H]4C[C@@H]4C)o3)cc12 72274993 WDHNQSJUAKVMCP-WPRPVWTQSA-N 284.319 3.520 0 40 CHAB CN1CC=C(c2nc3ccc(Cl)cc3s2)CC1 73638873 WUXSDSXVOMZXLV-UHFFFAOYSA-N 264.781 3.669 0 40 CHAB CC[C@@H]1CCCCN1C(=O)c1ccnc2ccccc12 78435707 GSLNWNMEJWLRJI-CYBMUJFWSA-N 268.360 3.640 0 40 CHAB Fc1cccc(Cn2c(Cl)nc3ccccc32)c1 79439671 SBOZTUBXDQWGPO-UHFFFAOYSA-N 260.699 3.877 0 40 CHAB COC(=O)c1ccc2ccccc2c1OCc1ncc(C)o1 95402937 GHSSVWQAAISZKN-UHFFFAOYSA-N 297.310 3.502 0 40 CHAB Cc1ccccc1C(=O)c1c(F)c(F)c(F)c(F)c1F 95917158 SQIYWBJSFMYMNU-UHFFFAOYSA-N 286.199 3.922 0 40 CHAB O=[N+]([O-])c1sccc1Oc1ccc(F)cc1F 96190736 SKXSJLHOPWLUFG-UHFFFAOYSA-N 257.217 3.727 0 40 CHAB Cc1nnc([C@@H](C)Sc2cccc3cccnc23)o1 98019307 GIFZXEUICYHIOO-SECBINFHSA-N 271.345 3.780 0 40 CHAB O=c1[nH]c2c(s1)C1(CCCC1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 222226111 KHMQOKBUWRJFJO-NAKRPEOUSA-N 293.457 3.769 0 40 CHAB CN(C(=O)c1cccc(F)c1)c1ccc(N2CCCC2)cc1 224958470 BTFUBQWOQXFXFA-UHFFFAOYSA-N 298.361 3.703 0 40 CHAB Cc1ccccc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225015027 NGWLYUHNEMKFNI-OAHLLOKOSA-N 290.746 3.723 0 40 CHAB COc1cc(C)c2c(Cl)c(C(=O)O)sc2c1C 228955047 MJCWALATLQGBBD-UHFFFAOYSA-N 270.737 3.878 0 40 CHAB Cc1nc(-c2cc(C3CCN(C)CC3)ccn2)sc1C 585179625 OPNBBZNPQLGCSC-UHFFFAOYSA-N 287.432 3.631 0 40 CHAB O=C(NCc1cccs1)N1CC[C@@H](c2cccs2)C1 827907335 SMRHJXYFJVLIGC-LLVKDONJSA-N 292.429 3.509 0 40 CHAB Cc1ccc(C)c(OS(=O)(=O)c2ccc(C)c(C)c2)c1 1660969904 NXOFMKQWOAIOHL-UHFFFAOYSA-N 290.384 3.688 0 40 CHAB Cc1nc2ccccc2n1C1CN(C2CCCCC2)C1 1776009870 VMKCCIXVTPLLSQ-UHFFFAOYSA-N 269.392 3.534 0 40 CHAB Cc1c(-c2ccccc2)nnn1-c1ccc(F)cc1F 140371 IETXFKYBZWQVRH-UHFFFAOYSA-N 271.270 3.521 0 40 CHAB CCCc1nc2ccccc2c(=O)n1-c1cccc(C)c1 3154106 ONZIIVIEDVXEDD-UHFFFAOYSA-N 278.355 3.647 0 40 CHAB C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@@H]1c1ccccc1 79416702 CXEJEOCPRYVFGU-WMLDXEAASA-N 298.386 3.757 0 40 CHAB CC(=O)Nc1ccc(SCc2ccccc2)cc1 7028281 LZXSFAMEYZAVGH-UHFFFAOYSA-N 257.358 3.937 0 40 CHAB COc1ccc(SCC(=O)Nc2cccc(F)c2)cc1 7127737 QBUIHPJXDWMVQY-UHFFFAOYSA-N 291.347 3.565 0 40 CHAB O=C(NCCc1ccc(F)cc1)c1ccc(Cl)cc1F 7953769 ZCLUBUCHRCIERZ-UHFFFAOYSA-N 295.716 3.591 0 40 CHAB CC(C)(C)c1ccc(CCC(=O)N2CCCCC2)cc1 10338902 WDDGFAPSYGTCSP-UHFFFAOYSA-N 273.420 3.929 0 40 CHAB C[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccccc1 23239208 QHJKXJIYOQMDJZ-AWEZNQCLSA-N 265.356 3.596 0 40 CHAB O=C(c1ccco1)N(Cc1ccc(F)cc1)Cc1ccco1 28231910 HKVKUKBEWYSHLC-UHFFFAOYSA-N 299.301 3.854 0 40 CHAB O=C1C=C/C(=N\Nc2ccccc2Cl)c2ccccc21 107847899 NFFZBSLOOJPRCY-NBVRZTHBSA-N 282.730 3.909 0 40 CHAB O=C(c1cc(F)cc(F)c1)c1cccc(Cl)c1 2378492 QXIUPPISZOSNEK-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CCN(CC)Cc1ccccc1NCc1c(C)noc1C 37090979 BAGFHZDWDREJBK-UHFFFAOYSA-N 287.407 3.745 0 40 CHAB Nc1c(C(=O)c2cc(F)ccc2F)oc2ccccc12 3357678 KFRHIQKQGVLHRZ-UHFFFAOYSA-N 273.238 3.524 0 40 CHAB c1ccc2c(c1)C[C@@H](NCc1cc3ccccc3o1)CO2 20905823 OBGXRUUWSUMLKA-OAHLLOKOSA-N 279.339 3.526 0 40 CHAB C[C@@H](NC(=O)COc1ccccc1)c1cc2ccccc2o1 12886714 CMBGZOKGDJEZQZ-CYBMUJFWSA-N 295.338 3.689 0 40 CHAB Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)nc1 48696946 ZBMWYRQZONOBFE-GHMZBOCLSA-N 286.297 3.697 0 40 CHAB CC[C@@H]1CCCCN1CC(=O)c1c(C)[nH]c2ccccc12 4336974 MQENFRBYUSXJEN-CQSZACIVSA-N 284.403 3.924 0 40 CHAB COCc1c(C(=O)Nc2ccc(C)cn2)oc2ccccc12 9376515 QFICMTPXOZYXEE-UHFFFAOYSA-N 296.326 3.535 0 40 CHAB C/C=C/C=C/C(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1 9499909 XZKJCKMRSBPAPM-XXZAKMSKSA-N 278.735 3.587 0 40 CHAB Fc1nc(F)c(F)c(Oc2cccc3cccnc23)c1F 4776571 FVPNRXABLHMRHL-UHFFFAOYSA-N 294.207 3.979 0 40 CHAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1 7886468 UDEIVDRZOCLYMR-KRWDZBQOSA-N 296.370 3.672 0 40 CHAB Cc1ccc(C(=O)O[C@H](C)CN2[C@@H](C)CCC[C@H]2C)cc1 8553292 VMMIODCQIXEPNU-OWCLPIDISA-N 289.419 3.803 0 40 CHAB O=C(O)c1cccnc1SCc1ccc(Cl)s1 19408627 MAKRHBXYOQHAGQ-UHFFFAOYSA-N 285.777 3.787 0 40 CHAB CCc1nnc(CNc2c(F)cccc2NC(C)C)s1 97371491 KOYQOSVQOJQLCP-UHFFFAOYSA-N 294.399 3.672 0 40 CHAB O=C(N[C@@H]1CCCc2occc21)c1ccc2ccccc2n1 84595093 WYQIFCBBPILRGV-OAHLLOKOSA-N 292.338 3.635 0 40 CHAB CC(C)c1ccccc1NC(=O)Nc1cccnc1 74753464 YNNWARYGEHPGEQ-UHFFFAOYSA-N 255.321 3.849 0 40 CHAB Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)c(C)n1C 408677760 URFHYOLGONLECI-UHFFFAOYSA-N 296.292 3.913 0 40 CHAB CCCN1CCC[C@@H]1c1cccnc1N[C@@H](C)CC 72213395 NORPIJXUDNAOFT-DZGCQCFKSA-N 261.413 3.839 0 40 CHAB Cc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1F 33028097 XERHNHUEMSLNHL-LLVKDONJSA-N 276.138 3.657 0 40 CHAB CCC(CC)C(=O)NCc1c(C)nn(-c2ccccc2)c1C 32648012 RCUJAFBIGCAELP-UHFFFAOYSA-N 299.418 3.542 0 40 CHAB CCCOc1ccc(C(=O)Nc2c(C)cc(C)cc2N)cc1 70462842 ABYNCQOHKGTKIR-UHFFFAOYSA-N 298.386 3.927 0 40 CHAB Nc1cccc([C@@H](O)c2ccc3c4c(cccc24)CC3)c1 226295751 BIEMFRKBMHNNSJ-LJQANCHMSA-N 275.351 3.602 0 40 CHAB COc1ccc([C@H](O)c2cccc3ccccc23)cc1N 226294412 DQNJYFPDJYDQKA-SFHVURJKSA-N 279.339 3.512 0 40 CHAB COc1ccc(CN(C)C(=O)c2ccc(C)c(C)c2)cc1 44818829 HWODHQGAAFXCOV-UHFFFAOYSA-N 283.371 3.584 0 40 CHAB CCCNCc1c(C)n(C(C)C)c2ccc(O)cc12 223765429 MWNNFJKARNHGRL-UHFFFAOYSA-N 260.381 3.736 0 40 CHAB CC(C)[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1 225184756 FHUMSMIUWLGOIJ-OALRPVAKSA-N 251.757 3.514 0 40 CHAB C[C@@H](CCO)S[C@@H](C)c1ncc(C(C)(C)C)o1 96447790 YIYFXCQXNVNHPZ-UWVGGRQHSA-N 257.399 3.537 0 40 CHAB CC[C@@H]1CCCC[C@@H]1OC(=O)CSc1ccncc1 97039674 NVSUDNMRHYBVMB-OCCSQVGLSA-N 279.405 3.686 0 40 CHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccsc1 253471445 CQGZIHVTVYPAEE-LLVKDONJSA-N 285.368 3.855 0 40 CHAB CCCN(CC)c1cc(Br)ccc1F 95915611 CDSREYRGKPJVCE-UHFFFAOYSA-N 260.150 3.825 0 40 CHAB Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccncc1 69453416 KVCISBFPQBWEDI-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB CC[Si](CC)(CC)c1c(F)ccc(F)c1OCOC 219796340 QXWGTLVTNPYESN-UHFFFAOYSA-N 288.410 3.663 0 40 CHAB CCCCCNC(=O)CCCOc1ccc(Cl)cc1 5525312 FVATXCPHPBSGOL-UHFFFAOYSA-N 283.799 3.805 0 40 CHAB C[C@H](CNC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 8168600 QMIIQSXKPMRKGH-BRADTZPFSA-N 283.346 3.759 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20137447 GNDBHQKHFPXFPA-UHFFFAOYSA-N 289.718 3.599 0 40 CHAB CCOc1ccc(CNc2cc(F)ccc2F)cc1OC 20088221 LTTUKBOASBHAGQ-UHFFFAOYSA-N 293.313 3.984 0 40 CHAB CC(CNC(=O)C1CC1)(c1ccccc1)c1ccccc1 16176795 ZPLZZOVIMLSSLL-UHFFFAOYSA-N 279.383 3.519 0 40 CHAB Cc1ncccc1CN1CC[C@H](C(F)(F)F)C1(C)C 334435030 YUPCQDFNDOALNZ-LBPRGKRZSA-N 272.314 3.553 0 40 CHAB CC[C@@H](C)Nc1nc(-c2ccncc2)nc2ccccc12 521178 OHYKXVHFZSEFPR-GFCCVEGCSA-N 278.359 3.902 0 40 CHAB Cc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 309916 LFCDNASRJXMSRP-UHFFFAOYSA-N 297.383 3.602 0 40 CHAB C1=C(c2cccc3ccccc23)N2CCN=C2S1 189116 DSHFAHWNXUUZKD-UHFFFAOYSA-N 252.342 3.557 0 40 CHAB CCCC(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 570029 OIUYGAJCNRDOMS-UHFFFAOYSA-N 296.370 3.986 0 40 CHAB C[C@H](Cc1ccccc1)N(O)[C@H](C)Cc1ccccc1 1604314 ZLCIDACDFVCFMF-HZPDHXFCSA-N 269.388 3.940 0 40 CHAB CC(C)(C)OC(=O)n1cccc1-c1cccc(C(=O)O)c1 2581093 NHZAONBMGJNOGP-UHFFFAOYSA-N 287.315 3.637 0 40 CHAB O=C(NC1CCCC1)C(c1ccccc1)c1ccccc1 2740134 IPLGMFINTYJVAU-UHFFFAOYSA-N 279.383 3.877 0 40 CHAB CCCC[C@@H](CC)C(=O)OCCC[C@@H]1CCCO1 4684029 CTTMABCNHUOHAT-KGLIPLIRSA-N 256.386 3.705 0 40 CHAB CCN(CC)C(=S)SC/C=C/OC(C)(C)C 5979219 CLWUMYVZCMFPGG-CMDGGOBGSA-N 261.456 3.675 0 40 CHAB CCc1cccc(C)c1NC(=O)Cc1ccc(F)cc1 6152517 UIGJSRBCBXNOKX-UHFFFAOYSA-N 271.335 3.878 0 40 CHAB C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(Cl)cc1 6343189 XVZJWBUZSBJDSA-FBOQAHMBSA-N 275.735 3.824 0 40 CHAB Cn1c(SC(=O)c2ccccc2)nc2ccccc21 7343462 TZIZYFFYUDCCBZ-UHFFFAOYSA-N 268.341 3.506 0 40 CHAB CCC(C)(C)C(=O)Nc1ccccc1S[C@@H](C)C(=O)O 8732915 UNVCTWVDFAYGAJ-JTQLQIEISA-N 295.404 3.627 0 40 CHAB O=C(Nc1nccs1)c1cccnc1Oc1ccccc1 8982920 MJWNTCXPUOEAPK-UHFFFAOYSA-N 297.339 3.583 0 40 CHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccn1 9218686 DNAKZQSVMJPFSO-SNVBAGLBSA-N 275.739 3.618 0 40 CHAB CSc1cccc(NC(=O)CCc2ccco2)c1 12976345 VNOKRACDQZYIRH-UHFFFAOYSA-N 261.346 3.573 0 40 CHAB CCCCN1C[C@@H](c2nc3ccccc3n2CCC)CC1=O 14095547 GVDPGZAIGGSOMV-AWEZNQCLSA-N 299.418 3.562 0 40 CHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)cc1C 14908930 XSIXVUKRPNNUSO-UHFFFAOYSA-N 297.354 3.732 0 40 CHAB Cc1ccc(NC(=O)c2cc(N)ccc2Cl)c(C)c1 20194122 RHNWEAXXPGNDQC-UHFFFAOYSA-N 274.751 3.791 0 40 CHAB C[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1 22427367 BIYGAZGMCSFDLI-OAHLLOKOSA-N 294.398 3.779 0 40 CHAB O=C(Nc1ccccc1)[C@@H]1CCCc2ccccc21 24833811 HLKVKCMPRZNMIW-MRXNPFEDSA-N 251.329 3.745 0 40 CHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1OC(F)F 27989892 LADBSWRFBCOQOB-PWSUYJOCSA-N 283.318 3.597 0 40 CHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccccc1F 33329009 BUKZFLNYMSYUFM-GHXNOFRVSA-N 273.694 3.972 0 40 CHAB COc1ccc(CCNc2nccc3sccc23)cc1 35687702 PKYPIDRFCMGXCO-UHFFFAOYSA-N 284.384 3.960 0 40 CHAB CCCOc1ccc(CNc2cccc(C(=O)O)c2)cc1 37301398 JPWKPCKQTNXDHO-UHFFFAOYSA-N 285.343 3.786 0 40 CHAB COc1ccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1Cl 40098721 JHRBUFWFXJHOOA-PHIMTYICSA-N 296.798 3.858 0 40 CHAB O=C(c1cc(F)cc(F)c1)N1CCCc2ccc(F)cc21 40117212 BGDXHLGAKCVMKK-UHFFFAOYSA-N 291.272 3.697 0 40 CHAB CN(C)c1ccc(C(=O)CCc2ccccc2)cc1 41323521 LPTOAKVQFDIWJO-UHFFFAOYSA-N 253.345 3.568 0 40 CHAB Cc1cc(F)ccc1NC(=O)N[C@@H]1CCC[C@H](C)C1 43420640 YXQYMBLCAGMOMD-GXFFZTMASA-N 264.344 3.834 0 40 CHAB Cc1cc(C)c2c(=O)c(-c3ccccc3)c(O)[nH]c2c1 55142570 PPLSLNORHQCJDZ-UHFFFAOYSA-N 265.312 3.518 0 40 CHAB biogenic,in-vitro O=C(CCc1cccc(Br)c1)C(F)(F)F 57578538 PANFEQQLMARKPE-UHFFFAOYSA-N 281.071 3.513 0 40 CHAB c1nc(N(Cc2ccsc2)C2CC2)c2sccc2n1 64115566 JIRKJDPOBOMMOP-UHFFFAOYSA-N 287.413 3.922 0 40 CHAB C[C@H](O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 70453326 WHOGNKUXQJMVBC-DOPJRALCSA-N 268.356 3.750 0 40 CHAB Clc1ccc(Cl)c(COC[C@@H]2CCCNC2)c1 72203672 KTSWUMBOJPLPPG-SNVBAGLBSA-N 274.191 3.510 0 40 CHAB Cc1cccc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 72243310 IYCFMQCZHCBPJL-SFHVURJKSA-N 295.382 3.571 0 40 CHAB CCCc1nccn1CC(=O)Nc1ccc(C(C)C)cc1 84759072 JPRIWAZNSPFVFX-UHFFFAOYSA-N 285.391 3.598 0 40 CHAB Cc1nc2ccccc2c(NCC(=O)NC(C)C)c1C(C)C 96006352 SDGXSMUAUXWGEI-UHFFFAOYSA-N 299.418 3.603 0 40 CHAB Cc1cnc(NC(=O)c2sc(C)nc2C(C)C)s1 96231895 ZWTWFOGAROAVJU-UHFFFAOYSA-N 281.406 3.592 0 40 CHAB Cc1nnc([C@@H](C)Oc2cccc(C(F)(F)F)c2)o1 96428790 PUDVQENYQFFISW-SSDOTTSWSA-N 272.226 3.537 0 40 CHAB C[C@H]1CC=CC[C@H]1COC(=O)CSC(C)(C)C 97044009 SIIRQAUZUOXXTO-RYUDHWBXSA-N 256.411 3.664 0 40 CHAB CCOC(=O)c1nc(-c2cccc(C)c2)sc1C 161536197 FOTYSITWXSFVKP-UHFFFAOYSA-N 261.346 3.604 0 40 CHAB Cc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1 222942155 BQWSSQGRWHRZNI-UHFFFAOYSA-N 253.345 3.888 0 40 CHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)cc2C)cc1 224980639 CNAXPIMEHYNSRL-MRXNPFEDSA-N 297.398 3.809 0 40 CHAB CC(C)n1nc(C2CC2)cc1CNc1ccnn1C(C)C 256051434 JDNZBOSMSIKLJG-UHFFFAOYSA-N 287.411 3.731 0 40 CHAB O=C(NC1CCCC1)c1ccc(-c2ccccc2)o1 541268091 UIDKNZQDCYGSCK-UHFFFAOYSA-N 255.317 3.619 0 40 CHAB Cc1cc(C[S@@](=O)CCC2C[C@@H](C)C[C@H](C)C2)on1 89104379 XXPKOAYKPJCIEH-SYTFOFBDSA-N 283.437 3.694 0 40 CHAB Cc1[nH]c(SCc2ccncc2)nc1Cc1ccccc1 78745638 MTGXLLPAGCAUJX-UHFFFAOYSA-N 295.411 3.996 0 40 CHAB CCCCNC(=O)c1cccc(C2CCCCC2)c1O 1683560 VCALQFWZMKDHAG-UHFFFAOYSA-N 275.392 3.970 0 40 CHAB C[C@H]1CC2=C(CC13COCOC3)C(C)(C)CCC2 3141186 KIWADCSBMOCMOB-LBPRGKRZSA-N 250.382 3.914 0 40 CHAB biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3C(=O)[C@H](C)CC[C@H]32)C1 4028252 GOCNYSCJLWRRBG-ZSFFEAAKSA-N 290.403 3.670 0 40 CHAB Cc1cccc2sc(NCc3cccnc3)nc12 26422505 ROFGPJMGLGXZLS-UHFFFAOYSA-N 255.346 3.612 0 40 CHAB COc1ccc(CC(=O)Nc2ccc(C)c(C)c2)cc1F 7918283 NNBVIRYNGBQNKK-UHFFFAOYSA-N 287.334 3.632 0 40 CHAB COc1c(Cl)cc(Cl)cc1C(=O)N1CCCCC1 59843434 GTFGWACWTRQYRC-UHFFFAOYSA-N 288.174 3.628 0 40 CHAB Cc1ccc(C(=O)c2ccccc2CN2CCCC2)cc1 2515544 UMADWEQSCMGTCY-UHFFFAOYSA-N 279.383 3.822 0 40 CHAB CCCCCOc1ccc(C(=O)CCCC(=O)O)cc1 2579990 HNWFSDWVSFUZRX-UHFFFAOYSA-N 278.348 3.693 0 40 CHAB Cc1cc2cc(NC(=O)CSc3ccncc3)ccc2[nH]1 46366718 CBOVDHBOWDPYIT-UHFFFAOYSA-N 297.383 3.602 0 40 CHAB Cc1ccc(NC(=O)[C@@](F)(Cl)C(F)(F)F)c(C)c1 2779758 PMHCJQDDWPDISX-JTQLQIEISA-N 283.652 3.709 0 40 CHAB Cc1cc(C)cc(C(=O)Nc2cc(F)ccc2F)c1 3318272 UVXIQZABMPZYAX-UHFFFAOYSA-N 261.271 3.834 0 40 CHAB Cc1ccc(CC(=O)Nc2ccccc2C)cc1C 3481378 SIOOWGLTDGGIJX-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB O=C(Nc1nccs1)C1c2ccccc2-c2ccccc21 3454855 USTNDSYTNGJCMM-UHFFFAOYSA-N 292.363 3.894 0 40 CHAB CC(C)c1ccccc1NC(=O)CN1CCc2ccccc21 3538059 IWVDHWRCFWIHRG-UHFFFAOYSA-N 294.398 3.811 0 40 CHAB CC(C)(C)OC(=O)NCCCCCCCCCCCN 60324684 BTKYLHCVXRGFLC-UHFFFAOYSA-N 286.460 3.981 0 40 CHAB CCc1n[nH]c(S[C@@H](C)c2ccc(OC(F)F)cc2)n1 48988928 QFMJDCKFISTUHJ-QMMMGPOBSA-N 299.346 3.822 0 40 CHAB O=C(Nc1ccnc2ccccc12)c1ccc(F)cc1 13236314 OIPZRKJYWKKQNP-UHFFFAOYSA-N 266.275 3.626 0 40 CHAB COCCOc1ccccc1CNc1c(C)cccc1C 19738040 ANQRNKSWBPZNGV-UHFFFAOYSA-N 285.387 3.941 0 40 CHAB CC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccccc1 20636615 ANOMHRRXEXOOOF-KRWDZBQOSA-N 266.344 3.885 0 40 CHAB COc1cccc2c(=S)c(CCC(C)=O)c(C)[nH]c12 6533714 GTIMIRXTVQAQKH-UHFFFAOYSA-N 275.373 3.736 0 40 CHAB CCCN1C(=O)C(C)=C(C)[C@H]1c1cn(C)c2ccccc12 4749241 FSAZTSLTYABCJR-KRWDZBQOSA-N 282.387 3.808 0 40 CHAB CC[C@@H](C)N[C@@H](C)c1ccccc1Br 19882212 ROSKTXKLTYIKJN-ZJUUUORDSA-N 256.187 3.898 0 40 CHAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cccnc1 29354637 OBIWHNIEYUVXHY-UHFFFAOYSA-N 299.330 3.597 0 40 CHAB Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 113959812 QBFLHSRULYOVEM-INIZCTEOSA-N 297.398 3.696 0 40 CHAB C[C@H]1CCc2sc(C(=O)N[C@H](C)c3ccco3)cc2C1 8360195 ZNRNASUMBNXLDF-WDEREUQCSA-N 289.400 3.957 0 40 CHAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](N)CC(C)(C)O2 91690747 ZEPDWGAJKLOGKJ-LBPRGKRZSA-N 292.379 3.595 0 40 CHAB in-vitro O=C(Cc1cccs1)c1ccc(F)c(Cl)c1 62791703 DQJPVIBVKFIOQJ-UHFFFAOYSA-N 254.713 3.966 0 40 CHAB FC(F)(F)c1ccccc1OCC[C@H]1CCCCN1 20593580 GWYHTERACIYKLW-LLVKDONJSA-N 273.298 3.616 0 40 CHAB Cc1cc(F)ccc1C(=O)C(Cl)(Cl)Cl 306669580 BHRHNUOJRMTXRV-UHFFFAOYSA-N 255.503 3.687 0 40 CHAB CCc1cccc(N2Cc3ccccc3O[C@@H](C)C2=O)c1 75165488 IGKYPWHJTICAOU-ZDUSSCGKSA-N 281.355 3.563 0 40 CHAB C[C@@H](SCc1ccco1)c1ccc(S(C)(=O)=O)cc1 189770697 LKBSMNOPEVBRNV-LLVKDONJSA-N 296.413 3.678 0 40 CHAB CC[C@H](O)c1cnc(N2CCCc3ccccc32)c(C)c1 72222874 VRNWPOBXGDIVQZ-KRWDZBQOSA-N 282.387 3.918 0 40 CHAB C[C@H](C(=O)NC1CCCCC1)n1cc(-c2ccccc2)cn1 227165421 SQJWYPYCSXEFHA-CQSZACIVSA-N 297.402 3.560 0 40 CHAB Cc1cc(OCCC2CCNCC2)cc(C)c1Cl 42772952 DHEDTXMAPWNPRB-UHFFFAOYSA-N 267.800 3.725 0 40 CHAB CCn1c(CNCc2ccccc2)ccc1Cc1ccco1 226021656 IDVIOUCSAXUYLF-UHFFFAOYSA-N 294.398 3.982 0 40 CHAB Cc1cc(C(=O)c2ccc(F)c(F)c2)ccc1F 43210196 GKJQNHOGMPEOIU-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB COc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C 225631847 WSIUUTZCBFACCT-UHFFFAOYSA-N 291.391 3.682 0 40 CHAB CCCCO[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225089825 JZNMNVDLOAPOPH-GFCCVEGCSA-N 291.174 3.806 0 40 CHAB CCCOc1ccc2c(c1)c(CN)c(C)n2CC(C)C 223756947 VWHXVEUWEVEDCS-UHFFFAOYSA-N 274.408 3.853 0 40 CHAB C[C@H](NC[C@H]1CCCO1)c1cccc(OC2CCCC2)c1 225167593 LRNVTYKREVBMEX-KBXCAEBGSA-N 289.419 3.838 0 40 CHAB Cc1cc(NCCN)c2cccc(Oc3ccccc3)c2n1 222692925 OWXDRQPIFVSKQV-UHFFFAOYSA-N 293.370 3.706 0 40 CHAB CC(C)c1ccc(OCC(=O)NCC2=CCCCC2)cc1 224265228 NSPKUJBYRZQRJE-UHFFFAOYSA-N 287.403 3.805 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)NC(C(C)C)C(C)C 44880987 PSOAVWNKCAFTRB-AWEZNQCLSA-N 277.408 3.559 0 40 CHAB CCc1ccc(C(=O)Nc2ccc(N)cc2CC)cc1 226317262 QIGZKFAPUOCKKK-UHFFFAOYSA-N 268.360 3.646 0 40 CHAB CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1N 95917839 YLIQJMVMNGQZQU-UHFFFAOYSA-N 276.258 3.635 0 40 CHAB OCc1ccc(F)cc1Oc1ccc(Cl)cc1 95917663 COCGWFKCAVXVNK-UHFFFAOYSA-N 252.672 3.764 0 40 CHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccccc2)S1 260784331 VUDJCPYWPKCWPQ-UHOFOFEASA-N 295.411 3.671 0 40 CHAB Cc1cc(C)c(NS(=O)(=O)c2ccccc2)c(Cl)c1 16267593 RUOQOJTUPSFHGL-UHFFFAOYSA-N 295.791 3.758 0 40 CHAB COc1ccc(-c2nc(COc3ccccn3)cs2)cc1 73699955 OZQQVXKLVYKFQD-UHFFFAOYSA-N 298.367 3.793 0 40 CHAB Cc1c(Cl)cccc1NCc1nnc2n1CCCCC2 94456 DWBHCWFXVAPZHN-UHFFFAOYSA-N 290.798 3.578 0 40 CHAB CO[C@H]1CN(C2CCCC2)CC[C@@H]1Cc1cccc(F)c1 1615085818 WAKCEHCTMHEPBP-QAPCUYQASA-N 291.410 3.648 0 40 CHAB Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1 5043815 NULHJLDBQDFZDV-VKJFTORMSA-N 271.404 3.940 0 40 CHAB O=C(O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 15022107 CMXJACFXYBTVAJ-UHFFFAOYSA-N 272.691 3.582 0 40 CHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 17916246 LYNVSQUXOQKTFX-ZDUSSCGKSA-N 271.335 3.934 0 40 CHAB Cc1cccc(-n2c(C)nnc2SCc2ccccn2)c1 9322006 IDASPDIGQJLDRV-UHFFFAOYSA-N 296.399 3.571 0 40 CHAB O=C(NCc1cccc2ccccc12)c1cccs1 36389197 AKTJAXKMJDHOHK-UHFFFAOYSA-N 267.353 3.831 0 40 CHAB Cc1[nH]c2ccc(Cl)cc2c1CCNCc1ccncc1 36657740 HSVPHNXITCFMSB-UHFFFAOYSA-N 299.805 3.857 0 40 CHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1OC 45969 PQMUKWWSCQMDCM-YRNVUSSQSA-N 297.354 3.664 0 40 CHAB O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1 139516 ZGQABPLJNQKODP-UHFFFAOYSA-N 279.343 3.532 0 40 CHAB biogenic Cc1ccc(CN(C(=O)c2cccs2)c2ccccn2)o1 21524372 ZKPAAMOUUITMKL-UHFFFAOYSA-N 298.367 3.892 0 40 CHAB C[C@@H](NC(=O)N[C@@H]1CCc2ccccc21)c1cccs1 32801871 PIXORSYGRILXOX-BXUZGUMPSA-N 286.400 3.796 0 40 CHAB Cc1oc2c(c(C)cc3oc(=O)c4c(c32)CCC4)c1C 407875 XVOPNPKDDUSDGS-UHFFFAOYSA-N 268.312 3.953 0 40 CHAB biogenic Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccccc1F 24894816 GPDPTCRMDCQMJK-HNNXBMFYSA-N 287.338 3.533 0 40 CHAB COc1ccc(C(=O)c2ccc(Cl)cc2Cl)c(O)c1 1687605 AECSCBHVKLMIFP-UHFFFAOYSA-N 297.137 3.939 0 40 CHAB O=c1oc2ccccc2cc1Sc1ccccc1 3137638 PVAOVQZZYZNKQP-UHFFFAOYSA-N 254.310 3.944 0 40 CHAB CCCOc1ccc(-c2csc(NC(=O)CC)n2)cc1 1903763 UHDHYLSNMHCGOV-UHFFFAOYSA-N 290.388 3.947 0 40 CHAB O=C(CCc1ccccc1F)NCc1ccccc1Cl 8304067 WAXOMLFXDDFCOR-UHFFFAOYSA-N 291.753 3.728 0 40 CHAB Cc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2C)c2ccccc2)cc1 10213163 RNPPWNQPHOBLCG-JCGIZDLHSA-N 279.383 3.857 0 40 CHAB Cc1nc(S)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 101264098 YCZNZRUNJQNQBS-CYDGBPFRSA-N 250.411 3.786 0 40 CHAB CN(C(=O)COc1ccc(C(C)(C)C)cc1)C1CCCC1 20104081 GSUMYWHAALDBRA-UHFFFAOYSA-N 289.419 3.764 0 40 CHAB CCOCCCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 13330236 ZSDYRGPDWIWMOG-AWEZNQCLSA-N 298.814 3.517 0 40 CHAB CCCCOCCNc1ccc(Br)cc1 49261939 QYTYZIKSAWLCEZ-UHFFFAOYSA-N 272.186 3.678 0 40 CHAB in-vitro O=C(CCc1ccco1)Nc1nc2ccc(F)cc2s1 9315708 XZZLYTSNGNLYHH-UHFFFAOYSA-N 290.319 3.600 0 40 CHAB CC(C)[C@H](N)c1nnc(SCc2cccc(Cl)c2)o1 5389320 CGDPCXUBCBMYQF-NSHDSACASA-N 297.811 3.671 0 40 CHAB CC(C)(C)OC(=O)c1cc2ccc(Br)cc2[nH]1 95635017 XZGVAXMYRSGAQU-UHFFFAOYSA-N 296.164 3.886 0 40 CHAB CCC(CC)C(=O)Nc1ccc(Br)c(C)n1 74240425 DDYBIAWXRNIYOQ-UHFFFAOYSA-N 285.185 3.527 0 40 CHAB CN(C(=O)c1ccc2ncsc2c1)C1CCCCC1 17356728 GMTNNSYHALXOAX-UHFFFAOYSA-N 274.389 3.701 0 40 CHAB CCn1c(-c2ccccc2)nc2c1CC(C)(C)CC2=O 20674266 XKGYWTAWYUBHON-UHFFFAOYSA-N 268.360 3.725 0 40 CHAB CCC[C@@H](C)C(=O)Nc1cc(C)nc2ccccc12 96997684 RZTKRFNQDZAKRL-LLVKDONJSA-N 256.349 3.918 0 40 CHAB COc1ccc2cc(C(=O)Nc3cc(C)ccn3)ccc2c1 8747497 NCPLBRQJLLTCPU-UHFFFAOYSA-N 292.338 3.804 0 40 CHAB CCOc1ncccc1C(=O)Nc1cccc2c1CCCC2 9051245 LOJWMWYTVMLNPS-UHFFFAOYSA-N 296.370 3.611 0 40 CHAB CCC[C@@](C)(CO)NC(=O)Nc1ccccc1C(C)(C)C 75094182 MUWZJWQRWOWYAE-KRWDZBQOSA-N 292.423 3.657 0 40 CHAB CC(C)[C@H]1CCc2ccccc2N1C(=O)c1ccoc1 89802080 CREQGSKLGPBDPC-OAHLLOKOSA-N 269.344 3.897 0 40 CHAB CC[C@H](C)C(=O)NC[C@@H]1[C@H](c2ccccc2)C1(C)C 89942153 WBGIZIRNJSYUAK-CFVMTHIKSA-N 259.393 3.589 0 40 CHAB COCCS[C@H](C)c1ncc(-c2ccccc2)o1 89913772 OUDVRWAOZKHWRP-LLVKDONJSA-N 263.362 3.782 0 40 CHAB CCN1C(=O)/C(=C\c2ccc(C)s2)c2ccccc21 409113457 IHPLKGHKXIJDLN-UVTDQMKNSA-N 269.369 3.964 0 40 CHAB COC(=O)c1cccc2[nH]c(-c3ccccc3)cc12 39200563 PSBKYAPNYIJRPC-UHFFFAOYSA-N 251.285 3.622 0 40 CHAB O=CN1CCCC[C@@H]1c1cccnc1Nc1ccccc1 72214171 QXCMJAWRFFMSCZ-MRXNPFEDSA-N 281.359 3.509 0 40 CHAB Cc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72211228 GUUZZZDTYVWJBB-KRWDZBQOSA-N 252.361 3.727 0 40 CHAB NCC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 75934206 KGXIEAXGQARWPP-UHFFFAOYSA-N 283.215 3.715 0 40 CHAB CCOc1ccccc1CNC(=O)Cc1ccc(C)c(C)c1 44884773 PTBGLDVRVPMSFZ-UHFFFAOYSA-N 297.398 3.561 0 40 CHAB CC(C)c1ccc(OC2CCNCC2)c(Cl)c1 42775015 SZZOCDMPSKRMIP-UHFFFAOYSA-N 253.773 3.594 0 40 CHAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(C)c2C)cc1 222819758 HOYWEKGTSZJNKM-MRXNPFEDSA-N 297.398 3.868 0 40 CHAB COc1cc2c(cc1C=O)C(C)=CC(C)(C)N2C(C)C 223180959 OCGNTWOZTXZLDM-UHFFFAOYSA-N 273.376 3.918 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccco1 17790208 GBGGPHSKGDMIMX-UHFFFAOYSA-N 296.326 3.515 0 40 CHAB CCC(=O)c1cccc2[nH]cc(Br)c12 96509803 YIAKZCDSLMNDJC-UHFFFAOYSA-N 252.111 3.523 0 40 CHAB FC(F)(F)c1nc(Cl)c2cnn(C3CCCC3)c2n1 95097297 VAADCOLQFFSZQN-UHFFFAOYSA-N 290.676 3.614 0 40 CHAB CC[C@@H](C)n1ccc(NCc2cc(F)ccc2F)n1 256052363 NALCYBQWFRBSSU-SNVBAGLBSA-N 265.307 3.744 0 40 CHAB C[C@H](c1noc([C@H]2C[C@@H]2c2ccc(C#N)cc2)n1)C1CC1 390833261 FILJFCNZAOGABY-VQISRLSMSA-N 279.343 3.726 0 40 CHAB COc1ccc2c(=O)c(C)c(-c3ccccc3)[nH]c2c1 685938724 UGACYDUFRUQOOU-UHFFFAOYSA-N 265.312 3.512 0 40 CHAB CC(C)C1(C(=O)OCc2ccccc2)CCC(=O)CC1 888088101 AMUZFAPNWSQXLF-UHFFFAOYSA-N 274.360 3.515 0 40 CHAB Cc1ccc(CN[C@H](C)CSC(F)(F)F)cc1 95918340 AOIUJDARFUQKRL-SNVBAGLBSA-N 263.328 3.726 0 40 CHAB CC[n+]1c(/C=C/Nc2ccccc2)oc2ccccc21 357783 OVGXYOVQSWFWGU-UHFFFAOYSA-O 265.336 3.823 0 40 CHAB O=C1O[C@H](/C=C\c2ccccc2)Sc2ccccc21 17161392 RGNQSOOYPAWNOV-WOLCWHLNSA-N 268.337 3.989 0 40 CHAB CCOc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1 490845 ZGAJVDCZTCJXBP-UHFFFAOYSA-N 296.322 3.867 0 40 CHAB biogenic CC1=NN(c2ccccc2)C(=O)[C@@]12CC(C)=C(C)CS2 5602966 VWUNEVKWRRCTIP-MRXNPFEDSA-N 286.400 3.621 0 40 CHAB C[C@@H]1CCCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 6509475 RWMOFSYJCLOSNZ-MRVPVSSYSA-N 288.174 3.571 0 40 CHAB S=C(NCCc1ccccc1Cl)Nc1ccccc1 13577052 LOXYRZAJNVAENT-UHFFFAOYSA-N 290.819 3.869 0 40 CHAB Cc1cc2c(Nc3ccc(F)cc3)ncnc2s1 756919 JQGDYTSAPHELGZ-UHFFFAOYSA-N 259.309 3.882 0 40 CHAB Cc1ccccc1NC(=O)NCc1cncc(C2CC2)c1 575621448 XVEYNLAHXPPTPW-UHFFFAOYSA-N 281.359 3.589 0 40 CHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)c2ccccc2O1 39372362 WZZFYCUQUWHVRR-IBGZPJMESA-N 289.334 3.835 0 40 CHAB COCc1ccccc1C(=O)N1CCCCc2ccccc21 40133896 PAUAVMXNMLIZBP-UHFFFAOYSA-N 295.382 3.816 0 40 CHAB Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccnc2)c1 129733 GXSRBWMJCOVIHU-MRXNPFEDSA-N 281.359 3.759 0 40 CHAB Cc1ccccc1CC(=O)N(C)Cc1ccc(Cl)s1 32678739 MACCAWLQAKPPII-UHFFFAOYSA-N 293.819 3.911 0 40 CHAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 102169508 RFRFDCULURPQDK-JUFZMCDQSA-N 277.795 3.895 0 40 CHAB CC1CCN(Cc2cc(-c3cccs3)on2)CC1 52873143 QOXUFTBJWKNEBZ-UHFFFAOYSA-N 262.378 3.635 0 40 CHAB c1ccc2c(c1)CC[C@@H](Nc1nc3ccccc3o1)C2 52928021 HQLSYIYTWZVEDS-CQSZACIVSA-N 264.328 3.797 0 40 CHAB CN(C(=O)c1cccc(F)c1)[C@H]1CCCc2ccccc21 23151936 KEEJEVTULWAIHZ-KRWDZBQOSA-N 283.346 3.975 0 40 CHAB CC(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C 27697 NPJVGQHTXJHUEL-SUMWQHHRSA-N 280.371 3.985 0 40 CHAB O=C(NCCc1ccccc1)c1ccc(F)c2ccccc12 36005 CPQRMOSDDQBZRX-UHFFFAOYSA-N 293.341 3.951 0 40 CHAB C[C@H]1SC2(CCCCC2)N(c2ccc(F)cc2)C1=O 93009 BTMNNQZVTZOLFI-LLVKDONJSA-N 279.380 3.954 0 40 CHAB O=C(NC1c2ccccc2-c2ccccc21)c1ccco1 105665 FLSIFYFDBRITBG-UHFFFAOYSA-N 275.307 3.779 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 364938 DECORNFPFKATTI-GJZGRUSLSA-N 283.371 3.640 0 40 CHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1F 382696 ZRLXKXOUEUAUIF-SNVBAGLBSA-N 293.725 3.885 0 40 CHAB COc1ccccc1OCc1cc(-c2ccccc2)no1 1398124 KEZMQARZOCYDLE-UHFFFAOYSA-N 281.311 3.929 0 40 CHAB O=c1nc2n(c3ccccc13)[C@H](c1ccccc1)C=CS2 1479664 INPBOCOWKOIICV-AWEZNQCLSA-N 292.363 3.605 0 40 CHAB CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@H]13 1619757 LRLCVRYKAFDXKU-LKTHJCGVSA-N 280.415 3.928 0 40 CHAB biogenic,in-vitro CC(C)[C@H](C(=O)CCN(C)C)c1ccc(Cl)cc1 1848526 NTFQBQOOTJCIEC-HNNXBMFYSA-N 267.800 3.600 0 40 CHAB CNCCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 2042606 DVZMCGNRHJEGHP-LLVKDONJSA-N 277.799 3.688 0 40 CHAB Cc1cc2c(O)cc(C(F)(F)F)nc2cc1Cl 2386489 ISBAWZTYXIOMDS-UHFFFAOYSA-N 261.630 3.921 0 40 CHAB CSc1ccc(C(=O)c2cccc(CN3CCC3)c2)cc1 2515114 QOHKFSYIDJUCLV-UHFFFAOYSA-N 297.423 3.845 0 40 CHAB COc1cccc(CCC(=O)c2cc(F)cc(F)c2)c1 2516536 IDWLEZAPDJXOSB-UHFFFAOYSA-N 276.282 3.789 0 40 CHAB Cc1cccc(OCC(=O)Nc2ccc(F)c(F)c2)c1C 2762668 HRNZAFSFMGIAMP-UHFFFAOYSA-N 291.297 3.599 0 40 CHAB Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 2783902 AGGSIEONHNHNID-RYUDHWBXSA-N 299.271 3.991 0 40 CHAB Cc1ccc(N2C(=O)[C@@H]3CC[C@](C)(C2=O)C3(C)C)cc1C 3097289 VWYJCKFOLRKAAP-KBXCAEBGSA-N 285.387 3.619 0 40 CHAB O=C1[C@H]2CC=CC[C@H]2[C@H]2c3[nH]c4ccccc4c3CCCN12 4024629 XUWVWNMIJTWBHD-VKJFTORMSA-N 292.382 3.580 0 40 CHAB C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 4127947 VMYTXBKVYDESSJ-DTZQYVILSA-N 288.431 3.879 0 40 CHAB biogenic C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC(=O)O2 4655151 FWJIMKYKNBCAJA-CVYDXHPNSA-N 286.371 3.544 0 40 CHAB biogenic Cn1cc(NC(=O)NCc2cccs2)c2ccccc21 5265715 HZEQNYFPRXDYTD-UHFFFAOYSA-N 285.372 3.562 0 40 CHAB COc1cccc(NC(=S)N[C@@H](C)c2ccccc2)c1 7522357 DBJDNXFPVVGUHV-LBPRGKRZSA-N 286.400 3.743 0 40 CHAB CCc1ccc(NC(=O)Cc2ccccc2C)cc1 7525377 BLLKVXMEKVCKSK-UHFFFAOYSA-N 253.345 3.739 0 40 CHAB CC[C@@H](C)NCc1ccc(-c2ccc([C@H](C)O)cc2)o1 7540982 JKUGUMRUYXRVFE-OLZOCXBDSA-N 273.376 3.888 0 40 CHAB Cc1cc(N2CCCC2)ccc1NC(=O)CCc1ccco1 7735566 QZSIHLWDCDTVPH-UHFFFAOYSA-N 298.386 3.760 0 40 CHAB CC(=O)SCC(=O)N(c1ccccc1)c1ccccc1 9667839 WOWFAWGUXBBQGC-UHFFFAOYSA-N 285.368 3.631 0 40 CHAB O=C(N[C@H]1CCCc2ccccc21)C(Cl)(Cl)Cl 16524720 BWJISJVZYZQPRY-JTQLQIEISA-N 292.593 3.550 0 40 CHAB CCOC(=O)/C=C(\C)NN(c1ccccc1)c1ccccc1 18192865 BQMRMWLESUBUJW-CCEZHUSRSA-N 296.370 3.796 0 40 CHAB O=C(Nc1ccc(F)c(F)c1)Nc1ccccc1F 19075130 DCNNIXOINFHPPC-UHFFFAOYSA-N 266.222 3.748 0 40 CHAB Fc1ccccc1CCNCc1cccc(Cl)c1 19912802 WAFLXSWVOVGIHI-UHFFFAOYSA-N 263.743 3.811 0 40 CHAB COc1ccccc1NC(=O)c1ccccc1OC(C)C 20289682 ZDIBVKWKKDAOGQ-UHFFFAOYSA-N 285.343 3.735 0 40 CHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)C1CCCCC1 20456964 HKZOFWVYPOYAKN-LBPRGKRZSA-N 295.810 3.898 0 40 CHAB COc1ccc([C@H](CN(C)C)C2=CCCCC2)cc1 22055568 OARSYJZOOXFPDU-QGZVFWFLSA-N 259.393 3.841 0 40 CHAB in-vitro Cc1cccc2sc(NC(=O)C[C@H]3C=CCC3)nc12 23325380 OSMKZJNWYWVHPD-NSHDSACASA-N 272.373 3.900 0 40 CHAB CN(C)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 23805523 KCUKLLRUSSYFTC-UHFFFAOYSA-N 294.329 3.743 0 40 CHAB CON(C)C(=O)c1cc2sc3ccccc3c2s1 24587140 NWLOYMISBVQJLP-UHFFFAOYSA-N 277.370 3.749 0 40 CHAB CC(C)CC[C@H](C)NC(=O)CCc1ccsc1 32722029 KTVMIVCEGUVHBI-LBPRGKRZSA-N 253.411 3.622 0 40 CHAB CC(C)c1ccc(CSc2ncccc2C(N)=O)cc1 32778747 KWWVQDMFZJNXEH-UHFFFAOYSA-N 286.400 3.596 0 40 CHAB CN(C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 32925326 ZAMWVOHBPWWSGD-LSDHHAIUSA-N 272.392 3.755 0 40 CHAB CC(C)(C)c1cccc(OCC[C@@H]2CCCCN2)c1 37428871 HLPYYWQPOOCOKQ-HNNXBMFYSA-N 261.409 3.895 0 40 CHAB CCOC(=O)c1ccc(N(CC)C2CCCCC2)c(N)c1 41081392 RTPGZEGWMHRBFT-UHFFFAOYSA-N 290.407 3.605 0 40 CHAB O=C(c1ccc(Cl)cc1)c1ccc(C2OCCO2)cc1 43212641 OFFFEZNWCGVKJV-UHFFFAOYSA-N 288.730 3.616 0 40 CHAB Cc1cc(N)cc(C)c1Cc1c(C)cc(N)cc1C 60117743 QUACYTKJOFAODG-UHFFFAOYSA-N 254.377 3.675 0 40 CHAB Cn1c(C(=O)O)ccc1-c1c(Cl)cccc1Cl 67299921 GIPJPHBACBWONP-UHFFFAOYSA-N 270.115 3.697 0 40 CHAB CC[C@@H](Nc1ncccn1)c1ccc(Br)cc1 67948678 UMDZZPFUZSKTLY-GFCCVEGCSA-N 292.180 3.802 0 40 CHAB Nc1cc(Cl)c(C(F)(F)F)cc1-n1cccc1 71788959 HWKWADYVFZUQOR-UHFFFAOYSA-N 260.646 3.732 0 40 CHAB CCN1CCC[C@H]1c1cccnc1NC1CCCCC1 72214010 VONDLGQMKYSNBC-INIZCTEOSA-N 273.424 3.983 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(F)cc1 72221837 TZYOXZVGHGCZMZ-CYBMUJFWSA-N 265.328 3.898 0 40 CHAB O=C(COC1CCCC1)Nc1ccc(-c2ccccc2)cn1 84562662 QMVMRGYNFTXPHR-UHFFFAOYSA-N 296.370 3.646 0 40 CHAB CCC(C)(C)C1CCC(NC(=O)c2ccnc(C)n2)CC1 84718821 PAWIVODXQKFYFQ-UHFFFAOYSA-N 289.423 3.510 0 40 CHAB Brc1nc2ccc3scnc3c2s1 85436336 VQSSKTCCOCQRMO-UHFFFAOYSA-N 271.164 3.669 0 40 CHAB COc1cccc(OC)c1C(=O)c1ccc(F)c(Cl)c1 95916170 HGLNBSFAQKVFCR-UHFFFAOYSA-N 294.709 3.727 0 40 CHAB C[C@@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 96079241 LVMVUODNDAZVLF-CQSZACIVSA-N 294.398 3.696 0 40 CHAB CN(C)C(=O)c1csc(-c2csc(CC3CC3)n2)c1 96501807 YXEATDZFNRETOM-UHFFFAOYSA-N 292.429 3.526 0 40 CHAB O=c1c2sccc2[nH]c(=S)n1-c1ccccc1Cl 100020570 FSXXQDJMKSYAGH-UHFFFAOYSA-N 294.788 3.763 0 40 CHAB Cc1ccc(-c2nn3c(O)c4c(nc3c2C)CCCC4)cc1 100583670 HLTUDIHEFGIRAP-UHFFFAOYSA-N 293.370 3.598 0 40 CHAB Fc1ccccc1[C@@H]1C=C(c2cccs2)Nc2ncnn21 101353669 MAYLZFGBNGQABJ-ZDUSSCGKSA-N 298.346 3.535 0 40 CHAB Cc1ccc(S[C@@H]2C[C@@H]3C[C@@H]2[C@H]2COC[C@H]32)cc1 104318782 XSAZNZTYQKMUAB-CWCFIDOXSA-N 260.402 3.758 0 40 CHAB CCC(=O)c1cccc(C)c1NC(=O)OC(C)(C)C 199832426 FSZJZMWMRVWGNH-UHFFFAOYSA-N 263.337 3.935 0 40 CHAB Cc1ccccc1-c1nnc(-c2c(C)nc3sccn23)o1 216601627 PTGWRLHKCYQCCX-UHFFFAOYSA-N 296.355 3.730 0 40 CHAB Cc1ccc(-c2nnc(-c3c(C)nc4ccccn34)o2)cc1 216603555 ASAHTHSYRQGYMC-UHFFFAOYSA-N 290.326 3.668 0 40 CHAB CC[C@H](C)NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223827203 NAQBWLVRLYVERG-SUMWQHHRSA-N 289.419 3.638 0 40 CHAB CCOc1ccc(C(=O)N[C@H](C)C(C)C)cc1Cl 225232268 YROFPYYAXRPTQF-SNVBAGLBSA-N 269.772 3.513 0 40 CHAB CC(C)C(NC(=S)Nc1ccc(F)c(F)c1)C(C)C 225327492 SFQOOUXWAOJFLZ-UHFFFAOYSA-N 286.391 3.932 0 40 CHAB Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(N)c1N 226300966 QERJDCWSANHVPE-UHFFFAOYSA-N 256.393 3.627 0 40 CHAB Cc1nn(C2CCCC2)cc1CNc1ccnn1C(C)C 256050111 CSNLFVNYKYXBEZ-UHFFFAOYSA-N 287.411 3.696 0 40 CHAB Oc1ncccc1-c1csc(C2CC3(CC3)C2)n1 899242144 WWLBFPJPFMBBMX-UHFFFAOYSA-N 258.346 3.568 0 40 CHAB CC(C)(C)C(=O)Nc1nnc(-c2ccccc2Cl)s1 103582 IYNPACVOGBOHOE-UHFFFAOYSA-N 295.795 3.843 0 40 CHAB Cc1cc(C)c2c(n1)sc1c(N3CCCCC3)ncnc12 159157 YRGOHXYNKRJINZ-UHFFFAOYSA-N 298.415 3.847 0 40 CHAB Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O 225269 NCUQEDWZGMYONC-UHFFFAOYSA-N 260.145 3.514 0 40 CHAB COc1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 362090 KTLPGQQXWNHUJU-UHFFFAOYSA-N 299.370 3.638 0 40 CHAB CC(C)(C)c1ccc(C(=O)Nc2cccc(O)c2)cc1 363836 PIRMMGDNLLZVJU-UHFFFAOYSA-N 269.344 3.942 0 40 CHAB O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccc(F)cc1 423752 FRFKYNYFQZRQJE-HNNXBMFYSA-N 291.322 3.743 0 40 CHAB CCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1 498651 GVFZFYYJYYSAPQ-UHFFFAOYSA-N 295.342 3.678 0 40 CHAB O=C(Nc1ccc(F)cc1F)c1ccccc1Cl 514143 SABUQQWEQCUKKB-UHFFFAOYSA-N 267.662 3.871 0 40 CHAB Cc1ccsc1/C=C1\SC(=O)N(C(C)C)C1=O 1018448 WWPNPPUTKILLFX-POHAHGRESA-N 267.375 3.501 0 40 CHAB CCc1ccc(NC(=O)COc2cccc(C)c2)cc1 1512894 QEDJYUJUIFKZFU-UHFFFAOYSA-N 269.344 3.575 0 40 CHAB CSc1ccc(NC(=O)Nc2cccc(O)c2)cc1 1741800 PPOZPXMLKYUQNQ-UHFFFAOYSA-N 274.345 3.758 0 40 CHAB COc1ccc(C(=O)CCc2cc(F)c(F)c(F)c2)cc1 2517841 PIJNEGSUJZJGIF-UHFFFAOYSA-N 294.272 3.928 0 40 CHAB S=c1[nH]nc(C2CCCCC2)n1-c1ccccc1 2523439 WYVKEKWKMYVFIC-UHFFFAOYSA-N 259.378 3.978 0 40 CHAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2740345 JSOCSPFIFAEUBU-SECBINFHSA-N 290.190 3.533 0 40 CHAB Cc1ccc(NC(=O)NC2CCCCC2)cc1F 2764752 RYZLQDGJVUWVQB-UHFFFAOYSA-N 250.317 3.588 0 40 CHAB CCCCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1 3107779 PZWLSRPXQKFXHZ-UHFFFAOYSA-N 284.359 3.821 0 40 CHAB CC(C)(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3265397 MDXSHSQNSMCZRT-UHFFFAOYSA-N 289.158 3.765 0 40 CHAB O=C(O)CC1(Cc2nc3ccccc3s2)CCCC1 3440452 TVRPZMALZMJHMK-UHFFFAOYSA-N 275.373 3.874 0 40 CHAB C[C@H]1C[C@]2(C[C@H](C)N(C)C[C@@H]2C)Nc2ccccc21 4006410 DSXWYDFCIRWJDM-AYMQEEERSA-N 258.409 3.705 0 40 CHAB Cc1cccnc1NC(=O)Nc1cn(C)c2ccccc12 5265867 RYHLKZSIUDWEAN-UHFFFAOYSA-N 280.331 3.526 0 40 CHAB CC1=N/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)O1 5396916 KLZJMSZALMPOAA-JYRVWZFOSA-N 287.702 3.916 0 40 CHAB CC1(C)C[C@@](CC(=O)O)(c2ccc(Cl)cc2)CCO1 5419050 YNABYQNSRTUFHW-OAHLLOKOSA-N 282.767 3.642 0 40 CHAB Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2nc(C)cs2)c1 7460284 DLRVAMGRTHNGTR-LBPRGKRZSA-N 289.404 3.507 0 40 CHAB CCc1ccc(NC(=S)NCCc2ccccc2)cc1 7529072 KNWIYARVOISARW-UHFFFAOYSA-N 284.428 3.778 0 40 CHAB COc1ccc(-c2cc3ncnc(NC4CC4)c3s2)cc1 8705264 KWVAEOBGSOLSAM-UHFFFAOYSA-N 297.383 3.941 0 40 CHAB COc1ccc([C@@H](CN)c2c(C)[nH]c3ccccc23)cc1 11919585 WZKWOYOXPOFXOL-MRXNPFEDSA-N 280.371 3.576 0 40 CHAB COc1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1 12768825 RTOFSEFBYRANLR-UHFFFAOYSA-N 285.387 3.706 0 40 CHAB O[C@@H](c1ccc(OCc2ccccc2)cc1)c1ccccn1 12875205 YOILQUBEESMTOS-IBGZPJMESA-N 291.350 3.742 0 40 CHAB O=Cc1cn(-c2ccc(C(F)(F)F)cn2)c2ccccc12 14988068 TWVMVMZWOMIHJA-UHFFFAOYSA-N 290.244 3.857 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC2CCCCC2)o1 16202639 XQKXBURFIIYKFA-OGETYJQASA-N 273.376 3.865 0 40 CHAB CCC[C@@H](C)NC(=O)[C@@H](CC)Oc1cccc(C)c1C 20452569 MCVKXQHZGUQAKK-UKRRQHHQSA-N 277.408 3.766 0 40 CHAB CC(=O)COc1ccc2c(Cc3ccccc3F)noc2c1 20721554 PIHJYWGPOSKOGF-UHFFFAOYSA-N 299.301 3.526 0 40 CHAB CC(C)(C)c1ccc(Nc2ncccc2C(N)=S)cc1 21035208 QLTCRFOBMLKOSI-UHFFFAOYSA-N 285.416 3.757 0 40 CHAB in-vitro CC(C)CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 25847241 HRQVEZINYZWGGJ-UHFFFAOYSA-N 299.418 3.705 0 40 CHAB CC(C)C[C@@H](NC(=O)c1cccnc1)c1ccccc1 29106664 YAUIZCLHJPWQIR-MRXNPFEDSA-N 268.360 3.599 0 40 CHAB C[C@H]1C[C@H](C)CN(C(=O)Cc2c(F)cccc2Cl)C1 32564216 RUTPPIJDDAEHCA-QWRGUYRKSA-N 283.774 3.526 0 40 CHAB O=C(O)c1cc2c(C(F)(F)F)onc2c2ccccc12 36533679 YQTQLXHDWDFSSL-UHFFFAOYSA-N 281.189 3.698 0 40 CHAB c1ccc(-c2cc(SCc3cccnc3)ncn2)cc1 36709714 FWJXXEWTHZBIRU-UHFFFAOYSA-N 279.368 3.831 0 40 CHAB O=C(c1ccc(Cl)cc1)c1c(F)cccc1F 36941680 WKMOYRWUDPEHNQ-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB COC(=O)C[C@@H](Nc1ccc(C)cc1)c1ccccc1 38337741 LCBCFALXIVJAID-MRXNPFEDSA-N 269.344 3.711 0 40 CHAB CCCCOc1ccc(-c2cn3nc(C)sc3n2)cc1 40963526 FGAFMZMNPGDDEZ-UHFFFAOYSA-N 287.388 3.945 0 40 CHAB CC(=O)Oc1cccc(C(=O)c2ccc(OC(C)C)cc2)c1 43209867 CEPSSVOKNOCGSN-UHFFFAOYSA-N 298.338 3.630 0 40 CHAB Cc1cc(C)c(NC(=O)N(C)Cc2ccc(O)cc2)c(C)c1 48324550 PWOWJEOCCQLYCQ-UHFFFAOYSA-N 298.386 3.981 0 40 CHAB O=C(NC1CCCCC1)N[C@H]1CCSc2ccccc21 48344262 CYEUUQOBFXBFHF-AWEZNQCLSA-N 290.432 3.855 0 40 CHAB Cc1ccccc1NC(=O)Nc1ccc(Cl)nc1 49205220 WRLQGNOOUBHTKT-UHFFFAOYSA-N 261.712 3.687 0 40 CHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCCCC2)c1 49890974 JNFHDVKLMXYAQO-HNNXBMFYSA-N 289.419 3.898 0 40 CHAB CCC[C@H](NCc1cnc(NC(C)C)nc1)c1ccccc1 62717636 MBLRDTKBWNOLRH-KRWDZBQOSA-N 298.434 3.928 0 40 CHAB Cc1ccc(Cl)cc1C(=O)COc1ccccc1 95916606 DPCNLQGZOWDUHT-UHFFFAOYSA-N 260.720 3.910 0 40 CHAB Cc1nn(C(C)C)c(C)c1[C@@H](C)NC[C@H]1CCCS1 95969258 NBHVALBJZYFCFB-BXUZGUMPSA-N 281.469 3.627 0 40 CHAB C[C@@H](OC(=O)c1ncoc1[C@@H]1CCCO1)C1CCCCC1 96407074 AEMSRZPNHQPWKY-YPMHNXCESA-N 293.363 3.652 0 40 CHAB COc1ccc(Br)c2ccnc(Cl)c12 96850558 QEWJYCCAUNYCKY-UHFFFAOYSA-N 272.529 3.659 0 40 CHAB CCCN(C(=O)c1cccc(C)c1F)c1cccnc1 97015077 DOUPMHIRPGEUPR-UHFFFAOYSA-N 272.323 3.586 0 40 CHAB C[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(F)c(F)c1 97037999 ABKODKFPAQFCOG-MRVPVSSYSA-N 287.260 3.600 0 40 CHAB CC(C)Nc1cccc(F)c1NCc1nc(C2CC2)no1 97048096 KHQQISGZKKQTCD-UHFFFAOYSA-N 290.342 3.519 0 40 CHAB Cc1csc([C@H](C)CNC(=O)Nc2cscc2C)n1 97113458 XHXFJCMWYCHUPO-MRVPVSSYSA-N 295.433 3.747 0 40 CHAB O=C(N1CCCCC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100502551 SKTXCVZIJGIVLT-KCNJBTMXSA-N 281.827 3.577 0 40 CHAB COC(C)(C)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 195579200 NYFIEIWYKBOLJR-LLVKDONJSA-N 298.452 3.519 0 40 CHAB CC[C@@H](C)Oc1cccc([C@H](C)NCCCOC)c1 225167035 BSSLLKWLYFGZDA-KGLIPLIRSA-N 265.397 3.551 0 40 CHAB CC(C)[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 225206880 JJCDJKWMLNQZLN-KGLIPLIRSA-N 291.435 3.912 0 40 CHAB CC[C@H]1N=C(C)c2cccn2-c2cc(OC)c(OC)cc21 225377663 GRZPUJWBPPBYMQ-CYBMUJFWSA-N 284.359 3.768 0 40 CHAB COc1ccc(-c2cnc(-c3ccc(N)cc3)o2)cc1OC 226103154 PFEFNBOQMHZQJP-UHFFFAOYSA-N 296.326 3.608 0 40 CHAB Cc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1Cl 226273158 ONBHGHPGTWRBHE-NSHDSACASA-N 289.762 3.954 0 40 CHAB O=C(CC1CC1)N1CCCC[C@H](c2ccccc2)C1 390826612 AVOOYKPKCORMOK-INIZCTEOSA-N 257.377 3.583 0 40 CHAB Cc1ccc(OC[C@H]2Nc3ccc(F)cc3N2)cc1C 1772765528 ZNCWGPXRCJTCPA-INIZCTEOSA-N 272.323 3.685 0 40 CHAB Cc1ccc(C(=O)CNc2ccc(Cl)cc2)cc1 287752 NPCKDCVZERYMHW-UHFFFAOYSA-N 259.736 3.943 0 40 CHAB Cc1ccc(C(=O)Nc2cc(C)c(C)cc2O)cc1 330810 OHPGUYWNBZDXQM-UHFFFAOYSA-N 255.317 3.570 0 40 CHAB COC(=O)c1c(-c2ccccc2)noc1-c1ccccc1 347940 WDAOZAXXZFWIOD-UHFFFAOYSA-N 279.295 3.795 0 40 CHAB Cc1cccc2sc(NC(=O)COc3ccccc3)nc12 1006377 OOCFGEXAXSIKDP-UHFFFAOYSA-N 298.367 3.622 0 40 CHAB O=C(O)c1csc(Nc2cccc3ccccc23)n1 2528913 XSZOWHQWFVZXMX-UHFFFAOYSA-N 270.313 3.738 0 40 CHAB Cc1noc2nc(C(F)(F)F)cc(C(F)(F)F)c12 3230849 WZLDAQBXEIOGCO-UHFFFAOYSA-N 270.132 3.569 0 40 CHAB O=C1S/C(=C/c2ccoc2)C(=O)N1c1ccccc1 4714573 YUCIFEDBZUGCIQ-XYOKQWHBSA-N 271.297 3.521 0 40 CHAB O=C(/C=C/c1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4891220 IZDKSFJXJNRJJR-DZYLTDJJSA-N 275.779 3.658 0 40 CHAB COC(=O)Cc1c(Br)oc2cc(C)cc(C)c12 5240499 OXEUDBHAXKBIEY-UHFFFAOYSA-N 297.148 3.528 0 40 CHAB CCOC(=O)c1oc2c(OC)cc(Cl)c3c2c1CCC3 5813052 AZECOVGYESMNIP-UHFFFAOYSA-N 294.734 3.760 0 40 CHAB C[C@@H](NC(=O)C1CCCC1)C12CC3CC(CC(C3)C1)C2 6286865 FHSPHYIPEBDIHC-QLFDAEIZSA-N 275.436 3.898 0 40 CHAB CC(C)(C)CC(C)(C)NC(=O)Cc1ccccc1F 6602422 GBQMXSXMEIDPCO-UHFFFAOYSA-N 265.372 3.699 0 40 CHAB COc1ccc(NC(=O)[C@@H](C)Nc2cc(C)cc(C)c2)cc1 7460336 YDGVTRRKJRTSNV-CQSZACIVSA-N 298.386 3.751 0 40 CHAB Cc1cc(-c2ccco2)nc2cc3c(cc12)OCO3 7735533 GDBGSFCGAITYLR-UHFFFAOYSA-N 253.257 3.532 0 40 CHAB O=C(/C=C/c1ccsc1)NCc1ccccc1Cl 8156719 IXVQVDUVIZAOIA-AATRIKPKSA-N 277.776 3.731 0 40 CHAB O=C(OCc1csc(-c2ccccc2)n1)c1cccnc1 8288737 MJQUIOYMONNFAQ-UHFFFAOYSA-N 296.351 3.562 0 40 CHAB CCOc1cc(C=O)cc(Cl)c1OCc1ccccn1 8702301 CEDFXRKTCCKPRW-UHFFFAOYSA-N 291.734 3.525 0 40 CHAB Nc1nc(SCc2cccc3ccccc23)ns1 8728842 OIFGMDJJTXNCKE-UHFFFAOYSA-N 273.386 3.566 0 40 CHAB Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 9252446 GRJNTBVUDPGSDC-UHFFFAOYSA-N 271.703 3.696 0 40 CHAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1O 9478199 ADKLTJPLEMYEEU-UHFFFAOYSA-N 296.153 3.880 0 40 CHAB Fc1ccc2ncn3c(-c4ccc(Cl)cc4)nnc3c2c1 9483350 RZLUCDZSUZRYHZ-UHFFFAOYSA-N 298.708 3.737 0 40 CHAB O=c1nc(-c2cccs2)oc2cc(Cl)ccc12 12619250 YKHMCTDTIJGGCS-UHFFFAOYSA-N 263.705 3.570 0 40 CHAB O=C(Nc1cc(Cl)ccc1Cl)c1ccccn1 12822178 BTFKNDOUWFLOJO-UHFFFAOYSA-N 267.115 3.641 0 40 CHAB C[C@@H](c1cccs1)N(C)C(=O)c1ccccc1F 12973460 MCYGZWGYGPFNDC-JTQLQIEISA-N 263.337 3.720 0 40 CHAB CC[C@@H](C)NC(=O)NC1CCC(c2ccccc2)CC1 13745624 MWAPBGKFLWXZKR-IUDNXUCKSA-N 274.408 3.811 0 40 CHAB Cc1ccc(C(=O)[C@H](C)Sc2nc(C(C)C)n[nH]2)cc1 14140271 VNUZGBJDNAXHSP-NSHDSACASA-N 289.404 3.600 0 40 CHAB CSc1ncccc1C(=O)Nc1c(C)cccc1C 15992684 SSAUKXBJDLAURF-UHFFFAOYSA-N 272.373 3.673 0 40 CHAB COc1cccc(OCc2nc3ccccc3nc2C)c1 16265462 MLXAIZFNTOBAOQ-UHFFFAOYSA-N 280.327 3.526 0 40 CHAB CSc1nccc(Oc2ccc(Cl)cc2)n1 17117835 JSWDNQXCVUBILW-UHFFFAOYSA-N 252.726 3.644 0 40 CHAB N[C@H](c1ccc(Br)cc1)c1cccs1 19841991 GSIUHOHMHXTASL-LLVKDONJSA-N 268.179 3.559 0 40 CHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCC(C)CC1 20108642 DQXHRMBTZYDFBA-MRXNPFEDSA-N 289.419 3.719 0 40 CHAB CSc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1 20736233 NNPOLJFCEOTYMA-GFCCVEGCSA-N 291.401 3.556 0 40 CHAB CCc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 22594937 IKXXJTWHGAWALZ-UHFFFAOYSA-N 261.271 3.780 0 40 CHAB Cc1cc(C)c(NC(=O)[C@H]2Cc3ccccc3O2)c(C)c1 23654285 LCYZXPXVDVYZEZ-MRXNPFEDSA-N 281.355 3.554 0 40 CHAB Cc1ccc(CNC(=O)CCc2ccccc2Cl)cc1 30932846 PUWMFZQTNBGBFT-UHFFFAOYSA-N 287.790 3.897 0 40 CHAB O=c1[nH]c2ccccc2n1CCCSCc1ccccc1 32793793 VYTWJYFAGJBFCP-UHFFFAOYSA-N 298.411 3.653 0 40 CHAB Cc1cc2cc(NC(=O)c3cccc4cn[nH]c34)ccc2[nH]1 32818557 WLUCFDKCNYCCFK-UHFFFAOYSA-N 290.326 3.605 0 40 CHAB CCc1c(-c2cc(Cl)ccc2Cl)n[nH]c1N 36916202 XHNHIEKQGLQVSG-UHFFFAOYSA-N 256.136 3.528 0 40 CHAB OC1CCC(N[C@H]2CCSc3ccc(Cl)cc32)CC1 37201906 XRUQVVNLFPSMRP-YIZWMMSDSA-N 297.851 3.770 0 40 CHAB CC[C@H](C)NC(=O)c1cc(Br)ccc1Cl 37974763 RVLZWSWDZXQZDC-ZETCQYMHSA-N 290.588 3.631 0 40 CHAB Cc1cc(C)c(C)c(OCC(=O)N(C)C2CCCCC2)c1 38752296 FNHLIQUPQYQMAI-UHFFFAOYSA-N 289.419 3.782 0 40 CHAB CSCc1nnc(SCc2ncc(C(C)(C)C)o2)o1 40074069 HGXYWMHTNBMWNK-UHFFFAOYSA-N 299.421 3.510 0 40 CHAB C[C@H]1C[C@@H]1c1ccc(CNc2ccc(CCO)cc2)o1 40737942 OTMRWSOJPJLIHN-LRDDRELGSA-N 271.360 3.550 0 40 CHAB O=C(O)c1cc(-c2ccccc2)nc2cc(F)cc(F)c12 42134830 GORADXJPRQTQFI-UHFFFAOYSA-N 285.249 3.878 0 40 CHAB Cc1nc(NC(=O)c2cn(C)c3ccccc23)sc1C 48792400 XHCJFZJXHLPVKS-UHFFFAOYSA-N 285.372 3.504 0 40 CHAB CC(C)CCC(=O)N1CCCCC[C@@H]1c1ccncc1 59254057 HAYILVFHIMKNNI-MRXNPFEDSA-N 274.408 3.962 0 40 CHAB O=C(Nc1cccc(C(F)(F)F)n1)c1ccc(Cl)o1 71854117 WBGBYXMMJRHESY-UHFFFAOYSA-N 290.628 3.599 0 40 CHAB Clc1ccc(Cl)c2[nH]c(-c3ccncc3)nc12 73634658 YAYRLRCUEYRZNF-UHFFFAOYSA-N 264.115 3.932 0 40 CHAB C[C@H]1CCN(C(=O)CCc2ccccn2)[C@H](c2ccco2)C1 75389614 JFCCNSMSFYOQJL-HOCLYGCPSA-N 298.386 3.607 0 40 CHAB c1cc(Oc2ncnc3ccsc23)cc(-n2cccn2)c1 77982641 VJWJNOKJRCSJQH-UHFFFAOYSA-N 294.339 3.669 0 40 CHAB CC(C)(C)OC(=O)N1CCC[C@H](SC(F)(F)F)C1 91252865 SELSKIXNXXXBHH-QMMMGPOBSA-N 285.331 3.639 0 40 CHAB Cc1cccc([C@H]2CCCN2Cc2cnn(C(C)(C)C)c2)n1 93453640 NZCQLTKBWNFNAY-QGZVFWFLSA-N 298.434 3.679 0 40 CHAB Cc1csc(CNc2ccc(Cn3ccnc3C)cc2)n1 95429029 SBBQOEGYJSGBMJ-UHFFFAOYSA-N 298.415 3.617 0 40 CHAB Cc1cc(F)ccc1C(=O)CC1(CC(=O)O)CCCC1 95634360 SMGRIKXSIDVRKW-UHFFFAOYSA-N 278.323 3.742 0 40 CHAB CCNCc1ccccc1NC(=O)C[C@H](C)c1ccccc1 95971512 VWUJCTNHSPWXOF-HNNXBMFYSA-N 296.414 3.928 0 40 CHAB C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cccc2cc[nH]c12 95972106 VDSJQKPZLUMKQN-LBPRGKRZSA-N 294.354 3.707 0 40 CHAB CCCCSCCC(=O)N1CCC[C@H]1c1ccc[nH]1 96416893 XKTSSDGUONLONF-AWEZNQCLSA-N 280.437 3.602 0 40 CHAB CC(C)c1nnc(CN[C@H](C)c2ccc(Cl)s2)n1C 97111498 UVCIRNSLYKMXIZ-SECBINFHSA-N 298.843 3.504 0 40 CHAB O=C(Nc1ccc(Cl)cc1)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12 100755783 PVCPOUAXDFRYDJ-NRMKKVEVSA-N 261.752 3.571 0 40 CHAB CSCC[C@H](C)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 108357765 JANZJMDZOZZRQJ-ZMSDIMECSA-N 292.492 3.553 0 40 CHAB Cc1occc1[S@@](=O)Cc1ncc(-c2cccs2)o1 189627904 NUORPWFYHJJRBJ-IBGZPJMESA-N 293.369 3.612 0 40 CHAB Cc1nc(C2CC2)ncc1-c1nnc(-c2ccc(F)cc2)o1 216605142 UFOSQPJIRKSCCW-UHFFFAOYSA-N 296.305 3.519 0 40 CHAB Nc1cc(Cl)ccc1-c1cc2ccccc2oc1=O 216937559 DLQGCOGLOCXXBU-UHFFFAOYSA-N 271.703 3.696 0 40 CHAB CC(C)CCc1ccc(C(=O)O)n1Cc1ccccc1 226025233 WDFLXCMDDYPMSJ-UHFFFAOYSA-N 271.360 3.823 0 40 CHAB CCC(=O)NCCc1ccc(-c2ccsc2)s1 575414079 QBGDVDKFENAJPB-UHFFFAOYSA-N 265.403 3.545 0 40 CHAB NC1(c2ccc(Br)c3ccccc23)CC1 575628912 GEUZWYHEJFHWES-UHFFFAOYSA-N 262.150 3.550 0 40 CHAB O=C(COc1cccc2ccccc12)Nc1ccccc1O 362697 FGTZJOKQNPRSJF-UHFFFAOYSA-N 293.322 3.563 0 40 CHAB COc1cccc(Nc2nc(-c3ccccn3)cs2)c1 613233 XVFQCGSTGHMRSZ-UHFFFAOYSA-N 283.356 3.957 0 40 CHAB COc1ccc(-c2cc(COc3ccccc3)on2)cc1 1398157 XPPTXMKRVXHUMG-UHFFFAOYSA-N 281.311 3.929 0 40 CHAB O[C@H]1c2c(ccc3ccccc23)CC[C@@H]1N1CCCCC1 1569696 BYQHQQHJLPNULE-PKOBYXMFSA-N 281.399 3.674 0 40 CHAB O=Nc1c(Br)cc(F)cc1Br 4772695 DSJFHTYLNCWNAS-UHFFFAOYSA-N 282.894 3.749 0 40 CHAB COc1cccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 8237630 GHDFBAYKGIEKCQ-GFCCVEGCSA-N 295.338 3.932 0 40 CHAB COc1ccccc1NC(=O)/C=C/c1sccc1C 9484186 SMBDVXKMFHEHOC-BQYQJAHWSA-N 273.357 3.717 0 40 CHAB C[C@@H](Oc1ccccc1F)C(=O)Nc1c(F)cccc1F 9512640 JZJPKWRAFXUPCS-SECBINFHSA-N 295.260 3.510 0 40 CHAB CC(=O)c1ccc(Oc2ncnc3ccsc23)cc1 9513488 UYCRMTXHHKXFDS-UHFFFAOYSA-N 270.313 3.686 0 40 CHAB CC(C)COC(=O)c1ccccc1NC(=O)c1ccccc1 9594951 WIAPTHAQLUVQFR-UHFFFAOYSA-N 297.354 3.752 0 40 CHAB CCc1ccc(/C=C/C(=O)Nc2c(C)cccc2C(=O)O)o1 11689818 FZLGPSWCWDBUHK-MDZDMXLPSA-N 299.326 3.501 0 40 CHAB C[C@H](c1ccccc1)N(C)c1ncnc2sccc12 12987445 AMEZOMQBYXWDCB-LLVKDONJSA-N 269.373 3.889 0 40 CHAB O=C(CC1(C(=O)O)CCCCC1)Nc1cccc(Cl)c1 13250141 YNCZZOAQLASBIT-UHFFFAOYSA-N 295.766 3.704 0 40 CHAB CC(=O)c1cc(CCC(=O)Nc2cccc(C)c2)oc1C 14085503 LOGARTQMHDHEBP-UHFFFAOYSA-N 285.343 3.670 0 40 CHAB Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1C 17826879 NUTMDZCOZZJFDT-UHFFFAOYSA-N 296.414 3.560 0 40 CHAB CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=CCCCC[C@@H]23)c1 17887169 JGHLKYZOSXUQGC-GVDBMIGSSA-N 283.371 3.820 0 40 CHAB CC(C)CN[C@H](C)c1cccc(Br)c1 19883003 ITFFEPKIPIYESV-SNVBAGLBSA-N 256.187 3.756 0 40 CHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCC[C@@H](C)C2)c1 19933372 GVHRUZZGYOGQGQ-MLGOLLRUSA-N 289.419 3.638 0 40 CHAB CCc1ccc(CN[C@@H](C)CCc2ccco2)cc1 21014579 NDTICWHPRHEGNZ-AWEZNQCLSA-N 257.377 3.953 0 40 CHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCCCC1 24895166 SFWDOXBWVUJMKB-UHFFFAOYSA-N 269.348 3.596 0 40 CHAB CCOc1ccc2nc(NCc3ccccn3)sc2c1 26422449 ARFZRSXNXCGCLJ-UHFFFAOYSA-N 285.372 3.702 0 40 CHAB O=C(COc1ccccc1Cl)OC1CCCCC1 27583702 HNBWLNPUUFBDHX-UHFFFAOYSA-N 268.740 3.595 0 40 CHAB O=C(c1cc2ccccc2[nH]1)N(Cc1ccco1)C1CC1 29269826 ULDXNGMTOWSOQW-UHFFFAOYSA-N 280.327 3.566 0 40 CHAB Cc1ccc2oc3nn(-c4ccc(F)cc4)c(=O)c-3cc2c1 33020959 TXUUFXZXZDKDIO-UHFFFAOYSA-N 294.285 3.531 0 40 CHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)o1 40459878 XAGFEZJHWXQFKB-LLVKDONJSA-N 261.346 3.627 0 40 CHAB O=C(c1ccccc1F)c1cncc2ccccc12 45028878 LXTGVXYDXBSLKI-UHFFFAOYSA-N 251.260 3.605 0 40 CHAB CCc1cccc(C)c1NC(=O)N(C)Cc1ccc(O)cc1 48308977 ACYBBPSFJGNXAX-UHFFFAOYSA-N 298.386 3.927 0 40 CHAB O=C(C[C@H]1C=CCC1)Nc1ccnn1C1CCCCC1 48325324 NFJMKANIKSSQSC-ZDUSSCGKSA-N 273.380 3.683 0 40 CHAB CC[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 49945694 HIKVDUPCPPZHRN-KRWDZBQOSA-N 285.362 3.978 0 40 CHAB O=C(CCc1ccccc1Cl)N1CCc2ccccc2C1 50080536 JNBGRLRDHPXSOQ-UHFFFAOYSA-N 299.801 3.858 0 40 CHAB Cc1cccc(C(=O)c2cc(F)c(F)c(F)c2)c1C 53328827 PRUNEPHAVPPAKP-UHFFFAOYSA-N 264.246 3.952 0 40 CHAB CCC(CC)N(C)C(=O)N[C@@H](C)Cc1ccsc1 57855943 QCOJDDKPDALEGB-NSHDSACASA-N 268.426 3.509 0 40 CHAB CCCCN1CCC[C@H]1c1cccnc1NC1CCC1 72213904 ULRGLZRRGOLEMO-INIZCTEOSA-N 273.424 3.983 0 40 CHAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccccc2)C1 72404937 ZJNCYAXHNPXANC-AWEZNQCLSA-N 293.326 3.648 0 40 CHAB CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1cscn1 81179283 LZCMNAXMKRTWKM-JSGCOSHPSA-N 280.437 3.503 0 40 CHAB Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C1CC1 95436509 SMCNDHQCZVTRRE-UHFFFAOYSA-N 290.363 3.691 0 40 CHAB C[C@H](NCc1ccc(Oc2ccccc2)o1)c1cnn(C)c1 96002096 DEVFLHUDEQNHQP-ZDUSSCGKSA-N 297.358 3.656 0 40 CHAB CC(C)(C)S[C@H]1CCN(C(=O)Nc2cccs2)C1 96120050 QGDYECDFBAHOEO-JTQLQIEISA-N 284.450 3.886 0 40 CHAB Clc1ccc(NCc2ccc(Cn3ccnc3)cc2)nc1 96456913 NJPBAZCSZXJAAI-UHFFFAOYSA-N 298.777 3.592 0 40 CHAB CO[C@@H](C)c1nc(Cl)cc(-c2ccc(F)cc2)n1 96529145 VHGGGWKKCGOVGE-QMMMGPOBSA-N 266.703 3.644 0 40 CHAB Cc1cccc(CCCNC(=O)c2ccc(C)cc2C)c1 96726976 NLAKYZGLFAGKBJ-UHFFFAOYSA-N 281.399 3.974 0 40 CHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccon2)o1 121039930 TZYBRCHYEXBKDC-JQWIXIFHSA-N 289.335 3.581 0 40 CHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 219955743 ZXRGDICQNCCALC-AWEZNQCLSA-N 283.371 3.885 0 40 CHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCC2CCCCC2)c1 224296451 RGUANHOWXCJUBQ-HNNXBMFYSA-N 289.419 3.767 0 40 CHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCC1=CCCCC1 224447094 LBKZOZPNHYELCP-INIZCTEOSA-N 291.366 3.600 0 40 CHAB CCc1ccccc1C[C@@H](Oc1ccc(C)c(C)c1)C(=O)O 225040861 FGTQQGJYXLDDEW-GOSISDBHSA-N 298.382 3.941 0 40 CHAB CC(C)c1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1 226323999 OZNHDXQTIYPSHG-UHFFFAOYSA-N 297.402 3.711 0 40 CHAB CN(Cc1csc(C2CCCC2)n1)C[C@@H]1CCCCO1 344055407 LUYGFVBHSGZMSZ-HNNXBMFYSA-N 294.464 3.802 0 40 CHAB O=C(O)C1(c2c(Br)ccc3ccccc23)CC1 575629356 RZULIWGZACRUKP-UHFFFAOYSA-N 291.144 3.719 0 40 CHAB FC(F)(F)c1ccccc1NCn1nnc2ccccc21 47659 RTJUBVJPBMOCQM-UHFFFAOYSA-N 292.264 3.520 0 40 CHAB O=C(CN1CCCCC1)Nc1ccc(C2CCCC2)cc1 347549 QWHAKRCFXCRBBO-UHFFFAOYSA-N 286.419 3.769 0 40 CHAB O=C(COc1ccc2ccccc2c1)N1CCCCCC1 559794 GHDMCAAFLUKBHN-UHFFFAOYSA-N 283.371 3.621 0 40 CHAB COc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 573349 QDKZNLNLCWQQDT-RIYZIHGNSA-N 285.730 3.841 0 40 CHAB COc1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1 817678 OVXJOFFDUNQEBM-GOSISDBHSA-N 291.354 3.840 0 40 CHAB CC(C)CCO[C@@H](CN1CCCC1)c1ccccc1 1842933 ISRODTBNJUAWEJ-KRWDZBQOSA-N 261.409 3.886 0 40 CHAB in-man COc1cccc(CC(=O)Nc2cccc(Cl)c2C)c1 2618022 DSQXHBUTHUOROM-UHFFFAOYSA-N 289.762 3.838 0 40 CHAB CN(C)[C@H](Cc1ccc(Cl)cc1)C(=O)c1ccccc1 3278298 OLECSGBOBNAYIV-MRXNPFEDSA-N 287.790 3.696 0 40 CHAB Cc1ccc2[nH]c(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2c1 4702659 GWZIGNWOPPWTPR-BETUJISGSA-N 270.376 3.594 0 40 CHAB CCN(CC)CCC[C@H](C)N[C@H](C)CCCN(CC)CC 5368441 NYHWSIBMLLCFQE-HDICACEKSA-N 299.547 3.597 0 40 CHAB N=c1oc2cc(O)ccc2cc1-c1nc2ccccc2s1 5380037 XMXFOTVFQVMGGZ-UHFFFAOYSA-N 294.335 3.895 0 40 CHAB CC(=O)c1cccc(NC(=O)c2cc3sccc3n2C)c1 6804679 UYSDQUUAVIINSR-UHFFFAOYSA-N 298.367 3.695 0 40 CHAB CON(C)c1ncnc2scc(-c3ccc(C)cc3)c12 7813903 NHPOZNVSYOWAKU-UHFFFAOYSA-N 285.372 3.664 0 40 CHAB CC(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1 7952945 YFDNKNISTPPLTG-UHFFFAOYSA-N 296.370 3.557 0 40 CHAB Cc1cc(O)cc2c1[C@H]1CC[C@@]3(C)[C@@H](O)CC[C@@H]3[C@@H]1C=C2 8614623 WCHXTGUTQVBYIP-OYNZLANYSA-N 284.399 3.998 0 40 CHAB CCC(CC)C(=O)Nc1ccccc1S[C@@H](C)C(=O)O 8732888 WUCYSKBVXRYJQO-JTQLQIEISA-N 295.404 3.627 0 40 CHAB CN(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1 9949823 WEDSHWFHJSFKAI-UHFFFAOYSA-N 297.383 3.960 0 40 CHAB COc1ccccc1-c1nnc(-c2cccc(C)c2)o1 12137795 ZCSAZKRQFLTFMS-UHFFFAOYSA-N 266.300 3.721 0 40 CHAB CC[C@@H](C)NC(=O)NCc1ccc(Cl)c(Cl)c1 13746299 GYTUOZPOQWLRLH-MRVPVSSYSA-N 275.179 3.591 0 40 CHAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccccc2O)o1 14110841 KYKGYKJCXZAODC-YPMHNXCESA-N 285.343 3.680 0 40 CHAB Cc1ccc(CCC(=O)Nc2nccs2)cc1Cl 14252829 ZTOTWVMXPDPANP-UHFFFAOYSA-N 280.780 3.676 0 40 CHAB Cc1ccccc1N1N[C@@]2(C[C@H](C)CC(C)(C)C2)NC1=O 15867859 QWVCOKXBURSPEK-SJKOYZFVSA-N 287.407 3.572 0 40 CHAB CCCCC/C=C\C(CC)(C(=O)OCC)C(=O)OCC 17162189 HRHBZYAPUYNKKB-SEYXRHQNSA-N 284.396 3.646 0 40 CHAB Cc1ccc2c(C)c(C(=O)N[C@H](C)c3cccnc3)oc2c1 19217990 KJTQUKFSECEDDG-CYBMUJFWSA-N 294.354 3.936 0 40 CHAB CC[C@H](C)N[C@H](C)c1cccc(Br)c1 19882002 HLHHDMMWSRCUBS-VHSXEESVSA-N 256.187 3.898 0 40 CHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1 20108254 DLLZSWGJPHRYII-CABCVRRESA-N 297.398 3.894 0 40 CHAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1F 25379811 FFZUGVXBWPILCC-UHFFFAOYSA-N 273.307 3.703 0 40 CHAB C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1OC(F)F 27989905 LADBSWRFBCOQOB-CMPLNLGQSA-N 283.318 3.597 0 40 CHAB O=C(O)c1csc(-c2ccccc2C(F)(F)F)n1 36893230 YJWAUDFAZRYGQG-UHFFFAOYSA-N 273.235 3.527 0 40 CHAB Brc1ccc(Sc2ccccc2)nc1 42389165 YTXIOQKCKQRXRZ-UHFFFAOYSA-N 266.163 3.995 0 40 CHAB C[C@@H](c1ccccn1)N(C(=O)c1cccs1)C1CC1 47177888 VIOCPSJYVZKPOT-NSHDSACASA-N 272.373 3.509 0 40 CHAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccncc1 56500737 TUXYRZGKVDVAHB-INIZCTEOSA-N 281.359 3.759 0 40 CHAB CC(C)CCC(=O)N1CCCCC[C@H]1c1ccncc1 59254058 HAYILVFHIMKNNI-INIZCTEOSA-N 274.408 3.962 0 40 CHAB S=c1oc(-c2ccccc2)nn1CN1CCCCCC1 59498001 UYRACAJHTAZHBY-UHFFFAOYSA-N 289.404 3.706 0 40 CHAB Cc1ccccc1C(=O)c1ccc(F)c(F)c1F 61838022 YWPLAQNTRJYFNF-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Cc1ccc(NC(=O)c2nccc3ccccc23)cc1O 70332601 ZNIQYBVRVCLVTH-UHFFFAOYSA-N 278.311 3.501 0 40 CHAB COc1ccc([C@H](C)N(C)Cc2csc(C)n2)cc1 76718210 IMKPCYLWMPRWMN-NSHDSACASA-N 276.405 3.653 0 40 CHAB Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)OC[C@@H]1C 95454863 CIEGLPHMFTWIRV-UONOGXRCSA-N 290.407 3.760 0 40 CHAB CC(C)n1ccc2c(C(=O)NCc3cccnc3)cccc21 95478955 BDSBUCLSRNWRKF-UHFFFAOYSA-N 293.370 3.547 0 40 CHAB CSc1cccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 102880381 VEOVSCNUFQNNNJ-MJVIPROJSA-N 259.374 3.559 0 40 CHAB ClC1(Cl)[C@H]2C=C[C@@H]3[C@@H](C[C@@H]21)C3(Cl)Cl 104951840 SRGRKWCJBJKYCR-UMRXKNAASA-N 257.975 3.786 0 40 CHAB CC(C)SC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1 107222143 QPCPOTJGDLSSLI-SQFISAMPSA-N 298.415 3.551 0 40 CHAB O=C(O)c1cc(OCc2ccccc2)cc(C(F)(F)F)c1 114705239 LLENRXQWSHZKQA-UHFFFAOYSA-N 296.244 3.983 0 40 CHAB C[C@@H](Cc1ccoc1)NC(=O)C12CC3CC(CC(C3)C1)C2 206662270 FIGMTPWZZUDIRM-VWZDBFAISA-N 287.403 3.543 0 40 CHAB Cc1ccc(C(=O)NCCCOC2CCCCC2)cc1C 224517899 USLOUXARKQDNBP-UHFFFAOYSA-N 289.419 3.773 0 40 CHAB C[C@H](CNC(=O)CCc1ccc(F)cc1)c1ccccc1 225135819 DXAJZRNYOKFOBN-CQSZACIVSA-N 285.362 3.678 0 40 CHAB Cc1cccc(C(=O)NCCSCc2ccccc2C)c1 408564576 XEUYTQBTUHSYOV-UHFFFAOYSA-N 299.439 3.967 0 40 CHAB C[C@H](C(=O)Nc1cncc2ccccc12)c1ccccc1 543153140 BAOBRAUVMXNVPQ-ZDUSSCGKSA-N 276.339 3.977 0 40 CHAB CCn1c(-c2ccccc2)ccc1[C@@H](O)C(F)(F)F 135485 BNJMAOUJRSSOLL-CYBMUJFWSA-N 269.266 3.771 0 40 CHAB CCc1cccc(NC(=O)c2ccc(OC)cc2)c1 483054 HIOYENDIMNFNAZ-UHFFFAOYSA-N 255.317 3.510 0 40 CHAB CCc1ccc(N[C@H]2OC(=O)c3ccccc32)cc1 796159 VVOVRMSBPPBVBF-HNNXBMFYSA-N 253.301 3.530 0 40 CHAB Cc1ccc2nc([C@@H](C)NC(=O)c3ccccc3F)[nH]c2c1 1385894 UQVBQPPVDIMUCF-LLVKDONJSA-N 297.333 3.501 0 40 CHAB CC1(C)COC(c2ccccc2-c2ccccc2)=N1 1861994 MUFNIUXQTXCXFN-UHFFFAOYSA-N 251.329 3.909 0 40 CHAB CN(c1ncnc2sc3c(c12)CCC3)C1CCCCC1 3296577 AGQWDPBUHJWPAL-UHFFFAOYSA-N 287.432 3.949 0 40 CHAB Cc1ccc(NC(=O)Cc2ccccc2F)c(C)c1 3482555 YCEPJBKLAXRHHF-UHFFFAOYSA-N 257.308 3.624 0 40 CHAB O=C(Cc1ccc(Cl)cc1Cl)NC1CCCCC1 3506547 IBBLSMMSZNLWAN-UHFFFAOYSA-N 286.202 3.985 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@@H]1CCCCC1=O 3852304 SIAFUAYUXXTABY-CTASWTNQSA-N 295.423 3.685 0 40 CHAB CC1(C)Nc2ccccc2O[P@@]1(=O)c1ccccc1 4052060 WYRCAOWKXISOIS-IBGZPJMESA-N 273.272 3.831 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 4175377 CBMYJHIOYJEBSB-FMKNUBLKSA-N 292.463 3.751 0 40 CHAB endogenous,in-man CC(C)c1ccc(/C=C/C(=O)n2nnc3ccccc32)cc1 4322455 CHLPYSBWQNRNQT-FMIVXFBMSA-N 291.354 3.908 0 40 CHAB CN(N=O)c1ccc(Cc2ccc(N(C)N=O)cc2)cc1 4684217 NHPGPMWEXKSCHI-UHFFFAOYSA-N 284.319 3.513 0 40 CHAB C/C(=C\C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCCC1 5287521 ZYYRRZKVIRYJOG-ZHACJKMWSA-N 298.308 3.644 0 40 CHAB O=C(CCC1CCCC1)NCCCc1ccccc1 5682656 FBHZIWSTCOCZOH-UHFFFAOYSA-N 259.393 3.706 0 40 CHAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccncc1 5689322 ZMCGNJJWFICTNN-UHFFFAOYSA-N 295.386 3.714 0 40 CHAB O=C1O/C(=C\NC23CC4CC(CC(C4)C2)C3)c2ccccc21 5948225 PEQRYAJTVWYIFK-BOPFTXTBSA-N 295.382 3.714 0 40 CHAB Cc1ccc(NC(=O)C2(c3ccccc3)CC2)c(C)c1 7610081 FYVZTBMIPICGMD-UHFFFAOYSA-N 265.356 3.974 0 40 CHAB Cc1ccnc(NC(=O)CCSc2ccccc2F)c1 8708262 PUILDTWUOMYDQK-UHFFFAOYSA-N 290.363 3.650 0 40 CHAB Cc1noc(-c2cnc(NC(C)C)nc2-c2ccco2)c1C 12186814 DNGKMPYALDOXJQ-UHFFFAOYSA-N 298.346 3.829 0 40 CHAB CC(=O)Nc1ccc(SCc2nccn2C(F)F)cc1 12506581 KAHMKEUQZAZCSF-UHFFFAOYSA-N 297.330 3.529 0 40 CHAB CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CCc2ccccc21 12764193 GFWNQMWUDZLWEE-LJQANCHMSA-N 291.394 3.935 0 40 CHAB Cc1sc(NC2CC2)nc1-c1ccc(F)cc1F 12797744 YAGQDUUAVPPMHG-UHFFFAOYSA-N 266.316 3.971 0 40 CHAB O=C(O)c1ccc(-c2ccc(F)c(Cl)c2)cc1 13606284 WAWQPHGUJGYFMZ-UHFFFAOYSA-N 250.656 3.844 0 40 CHAB Cc1c(C(=O)NC(C)(C)C)oc2ccc(Cl)cc12 15497300 LLJQGTDUPWQQNV-UHFFFAOYSA-N 265.740 3.923 0 40 CHAB CSc1ccccc1Nc1nc(C)c(C(=O)O)s1 20156577 IQAYOPVMWFNJGV-UHFFFAOYSA-N 280.374 3.615 0 40 CHAB Cc1ccccc1NC(=O)Nc1ccnn1C1CCCC1 28247683 FMEVYTLTCCCVTK-UHFFFAOYSA-N 284.363 3.951 0 40 CHAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C1CCCC1 28574535 BQYRFNHFUVIGJU-UHFFFAOYSA-N 297.402 3.677 0 40 CHAB O=C(CCc1cccc(Cl)c1Cl)NCc1ccco1 31662572 LFOVCMLOXPDXRX-UHFFFAOYSA-N 298.169 3.835 0 40 CHAB CCc1nc(NC(=O)Nc2ccc(C)cc2)sc1C 32610966 IPIQDZHJRMICRB-UHFFFAOYSA-N 275.377 3.966 0 40 CHAB COc1ncccc1CN[C@H](C)c1cc2ccccc2o1 37650414 XHZLNBNFBPSSKJ-GFCCVEGCSA-N 282.343 3.687 0 40 CHAB Nc1ccc(Nc2cccc3ccccc23)c(C(=O)O)c1 37930237 MWPAVFPKBMSAPA-UHFFFAOYSA-N 278.311 3.864 0 40 CHAB Cc1ncsc1C(=O)N[C@H](C)c1ccc(Cl)s1 40529187 GCCIGBBFCXGFDR-ZCFIWIBFSA-N 286.809 3.657 0 40 CHAB Cc1ccc(C(=O)Nc2ncc(Cl)cc2C)cc1C 41107518 XCJXDRYZWXEDMT-UHFFFAOYSA-N 274.751 3.913 0 40 CHAB C[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 42783532 UNIFKJOYZVBQBP-QMMMGPOBSA-N 278.705 3.990 0 40 CHAB Cc1cccc(CNC(=O)c2ccc(C)c(C)c2)c1 48431047 KUWWFFDZIWEOPX-UHFFFAOYSA-N 253.345 3.542 0 40 CHAB Cc1ccc([C@H](NC[C@H]2CCCCO2)C2CC2)cc1 51099995 GBZAHSJSEPBFNM-SJORKVTESA-N 259.393 3.605 0 40 CHAB FC(F)(F)c1ccnc(Oc2ccc3ncccc3c2)n1 65202937 WPTAGHSWXOWUSS-UHFFFAOYSA-N 291.232 3.836 0 40 CHAB c1ccc2cc(OCCCSc3ncn[nH]3)ccc2c1 67735877 JTWYLLHXIDXRJX-UHFFFAOYSA-N 285.372 3.519 0 40 CHAB Cc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72211325 GIAUYXUSPPBABA-QGZVFWFLSA-N 280.371 3.757 0 40 CHAB CC(C)CN1CCC[C@@H]1c1ccc(Br)nc1 72211556 YHHIFXGMOKGGGP-GFCCVEGCSA-N 283.213 3.637 0 40 CHAB CC[C@@H](O)c1cnc(N2CCc3ccccc32)c(C)c1 72222902 RLDIKAYCMVXYME-MRXNPFEDSA-N 268.360 3.528 0 40 CHAB COCc1ccccc1NCc1ncc(C(C)(C)C)o1 89725201 UQCVRCXAHFMBHW-UHFFFAOYSA-N 274.364 3.731 0 40 CHAB CN(C(=O)CCC(F)(F)F)c1cccc2ncccc12 89844973 LBAVNYPOHJYSIA-UHFFFAOYSA-N 282.265 3.540 0 40 CHAB Fc1cc(Br)cc(COCC(F)(F)F)c1 93995231 CQCFZRUWXJLPMD-UHFFFAOYSA-N 287.050 3.667 0 40 CHAB COc1cc(OCc2ccccc2)c2c(c1)C(=O)CCC2 95094171 YGJFEANKDSYVSA-UHFFFAOYSA-N 282.339 3.793 0 40 CHAB Clc1ccc(-c2nnc(SCc3ccno3)o2)s1 96422239 SGWKUDSNEWSPBM-UHFFFAOYSA-N 299.764 3.732 0 40 CHAB CC(C)OC(=O)c1ccc(OC(C)C)cc1Cl 96841279 QBJDHFZZDUXRRR-UHFFFAOYSA-N 256.729 3.692 0 40 CHAB Cc1nc(CN(Cc2cccnc2)Cc2ccco2)cs1 97080441 WURDRALUWAJQSY-UHFFFAOYSA-N 299.399 3.642 0 40 CHAB O=C(O)c1cc2c(Br)ccc(F)c2s1 140646798 DTEWWEXDVQZZSZ-UHFFFAOYSA-N 275.098 3.501 0 40 CHAB CC(C)Cn1cc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)cn1 190961858 ISQFHBMCRJDFAO-MAUKXSAKSA-N 298.434 3.517 0 40 CHAB Cc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)o1 195559082 VWAXCXZXRYERRB-LJQANCHMSA-N 297.807 3.732 0 40 CHAB Cc1ccccc1O[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 224414224 ZYYZAIZGZYJTDE-CVEARBPZSA-N 297.398 3.682 0 40 CHAB Cc1ccc(CN[C@H](CO)c2ccsc2)cc1Cl 225522390 DEHZARYGANUBHL-CQSZACIVSA-N 281.808 3.533 0 40 CHAB Cc1cccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1 409197321 BHDZMKGVTMOGBG-UHFFFAOYSA-N 294.398 3.566 0 40 CHAB CCOC(=O)c1c(-n2c(C)ccc2C)sc2c1CCC2 126631 MNGKJVWJQWMABB-UHFFFAOYSA-N 289.400 3.821 0 40 CHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccccc1Cl 165570 LIHXMJLRZGFYFT-UHFFFAOYSA-N 297.745 3.982 0 40 CHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccccc1F 483445 XTESOSQZUQYBLP-NSHDSACASA-N 287.309 3.946 0 40 CHAB CCONC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 24968557 KJVGPKJBQLZNIE-UHFFFAOYSA-N 299.248 3.647 0 40 CHAB CCc1ccccc1NC(=O)COc1ccc(C)cc1OC 3609820 BJUBYOMTLWNTMQ-UHFFFAOYSA-N 299.370 3.584 0 40 CHAB CCN(CC)C(=O)c1ccc(-c2ccc(F)cc2)o1 57626008 TUURUJXOBVPFQR-UHFFFAOYSA-N 261.296 3.568 0 40 CHAB Cc1nc(=O)[nH]c(CCc2ccccc2)c1-c1ccccc1 8652777 XNBDLOMVHINHBY-UHFFFAOYSA-N 290.366 3.531 0 40 CHAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C)C 22524644 YCNFDLQYQWKXTI-LBPRGKRZSA-N 271.813 3.735 0 40 CHAB O=C(C1CCC1)N1CC=C(c2c[nH]c3ccccc23)CC1 11071718 PASPLKNLMZJJJR-UHFFFAOYSA-N 280.371 3.584 0 40 CHAB O=C(Cc1ccc(F)cc1)N[C@H](c1ccccc1)C1CC1 11204248 FQDKTJMNOBFZSU-GOSISDBHSA-N 283.346 3.636 0 40 CHAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(C(F)(F)F)c1 100977596 HAIIAJAXYIKTDK-NQBHXWOUSA-N 297.320 3.871 0 40 CHAB COc1ccc(OC)c2c1[C@@H]1[C@@H]3C4C5[C@@]16CC=CC[C@]56[C@H]2[C@H]43 104289931 XMXRUOZBHCNPLA-VCJBVACXSA-N 292.378 3.727 0 40 CHAB Cc1nc(Nc2cccc(O)c2)c2c3c(sc2n1)CCC3 3418718 LNGNFNARGCTACK-UHFFFAOYSA-N 297.383 3.938 0 40 CHAB Cc1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1 13691962 ZYTATCITFSXNSY-UHFFFAOYSA-N 292.367 3.828 0 40 CHAB Cc1ccc2[nH]c(SCc3nccn3C(F)F)nc2c1 9218705 KGISFRJTOXICDT-UHFFFAOYSA-N 294.330 3.755 0 40 CHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccnc1 9423200 IWFRFWJXHWPNOH-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB Cc1ncc([C@H](C)NCC(C)(C)CC2CCOCC2)s1 90419562 RTWSSSQPGQDVQC-LBPRGKRZSA-N 296.480 3.945 0 40 CHAB CCn1c(=S)[nH]c2c(-c3ccccc3)csc2c1=O 15829084 UUBQTELRWXCHRN-UHFFFAOYSA-N 288.397 3.807 0 40 CHAB Cc1nc(CN[C@@H](C)c2ccsc2)c(C)s1 90889362 KGMWDOJFTREDEO-QMMMGPOBSA-N 252.408 3.672 0 40 CHAB C[C@@H](C1CC1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 95348941 YZJNPSNWVIDGJT-LBPRGKRZSA-N 296.414 3.917 0 40 CHAB CC(C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 95477688 VTNSCHDGPCBUCY-UHFFFAOYSA-N 270.376 3.575 0 40 CHAB Cc1nc(-c2cccc(NCCc3ccccc3F)c2)n[nH]1 95945458 LLPRCNSXWDZNMJ-UHFFFAOYSA-N 296.349 3.574 0 40 CHAB Cc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccccc3)o2)o1 521393919 GJFWYWKBSMBOHS-CYBMUJFWSA-N 297.358 3.831 0 40 CHAB Clc1ccc(OCc2ccccc2Cl)nc1 36719662 ATVPODJLKOFMLA-UHFFFAOYSA-N 254.116 3.967 0 40 CHAB CCSc1ncccc1[C@H]1CCCCN1CC 72217197 SEWFQQDOTVLJDK-CYBMUJFWSA-N 250.411 3.741 0 40 CHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(F)cc1 212262911 OFNHIOKKOUNWMH-UONOGXRCSA-N 295.398 3.926 0 40 CHAB CCCCN1CCC[C@H]1c1ccc(S)nc1C 72218386 PLIIWULWBBMCPK-ZDUSSCGKSA-N 250.411 3.616 0 40 CHAB CC1(C)CC(=O)[C@@H]2C(c3cccc4ccccc34)=NN[C@@H]2C1 228920055 LKVVFJUYXUZCIV-NVXWUHKLSA-N 292.382 3.521 0 40 CHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CCCC2)c1 47209555 CPUJMOIMAAEGDY-AWEZNQCLSA-N 289.419 3.945 0 40 CHAB CCCOC(C)(C)C(=O)Nc1ccc(OCC(C)C)cc1 225726470 LNWWDMBHKJVMGJ-UHFFFAOYSA-N 293.407 3.865 0 40 CHAB Cc1cccc(C(=O)c2cc(F)c(F)c(F)c2)c1 43391845 VFWUTRLYUBEQTL-UHFFFAOYSA-N 250.219 3.643 0 40 CHAB Cc1ccccc1Nc1ccc(C(=O)N2CCCC2)cc1N 225416876 DEDNZSYYSLMTCN-UHFFFAOYSA-N 295.386 3.557 0 40 CHAB CCOc1ccccc1CNC(=O)c1cc(C)c(C)cc1C 225646173 RQVLDCKRYNTPLU-UHFFFAOYSA-N 297.398 3.941 0 40 CHAB Brc1cccc(N2CCCCCC2)c1 95915507 BKWKISFPPHAPJO-UHFFFAOYSA-N 254.171 3.830 0 40 CHAB C=CC(=O)OCc1cccc(Oc2ccccc2)c1 90734628 BXSPZNVFEYWSLZ-UHFFFAOYSA-N 254.285 3.708 0 40 CHAB O=C1O[C@@H](c2ccc(Br)cc2)c2ccccc21 35327173 NOBDTJIRKOOPJW-ZDUSSCGKSA-N 289.128 3.709 0 40 CHAB Cc1ccc(NC(=O)CC(C)C)c(OC[C@@H]2CCCO2)c1 55652800 JHPKRRWTPSTGMJ-AWEZNQCLSA-N 291.391 3.537 0 40 CHAB CCc1cccc(C)c1NC(=O)OCC(F)(F)F 32628776 JWUFCAIACIVLMB-UHFFFAOYSA-N 261.243 3.668 0 40 CHAB in-vitro CC1(C)C(=O)N(c2ccc(Cl)cc2)C(=O)c2ccccc21 5426273 WVFAPACCMZDWDE-UHFFFAOYSA-N 299.757 3.805 0 40 CHAB CC(=O)c1nc2ccccc2n1[C@H](C)C(=O)c1ccccc1 13216304 OTGBIUVFSAERSI-GFCCVEGCSA-N 292.338 3.683 0 40 CHAB CCCn1c(CC)nnc1SCc1ccc(C)cc1 17007461 WWKJRUQGODHKBK-UHFFFAOYSA-N 275.421 3.851 0 40 CHAB CCC[C@@H]1[C@@H](CC)C1(Br)Br 162170 FYYYLMWEQBJQSW-RNFRBKRXSA-N 270.008 3.929 0 40 CHAB Cc1cccc(NC(=O)Cc2ccc(C)c(C)c2)c1 5558335 WJCKNWTZYCHCKP-UHFFFAOYSA-N 253.345 3.793 0 40 CHAB CC1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 13022301 SLQUIRWQECHCOF-UHFFFAOYSA-N 284.403 3.749 0 40 CHAB Cc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2[nH]1 40286879 MCRNNSFLKQXKCH-UHFFFAOYSA-N 285.734 3.777 0 40 CHAB Fc1cc(F)cc(CCNc2ncnc3sccc23)c1 51600686 KBXORQDHWWTXIQ-UHFFFAOYSA-N 291.326 3.624 0 40 CHAB CC1=C(C)C[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2C1 101500712 XJKWMKHHNXXTKP-HUUCEWRRSA-N 283.371 3.539 0 40 CHAB CC1=NN(c2ccc(C(=O)NC3CCCCCC3)cc2)CC1 32926038 ZCCGRJCIDYLUOV-UHFFFAOYSA-N 299.418 3.725 0 40 CHAB CC[C@H]1NC(=O)c2ccccc2N1c1cccc(Cl)c1 481310 VBYRNLRQVMTJIE-HNNXBMFYSA-N 286.762 3.958 0 40 CHAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 524308 VQQVIIACKGCVLG-AWEZNQCLSA-N 288.734 3.631 0 40 CHAB O=C(C[C@H]1C=CCC1)NCC1(c2ccccc2)CCCC1 22839096 SODVGAAMAQJQRF-INIZCTEOSA-N 283.415 3.971 0 40 CHAB CC(C)CN(CC(C)C)c1ncnc2ccccc12 118548 IDNRPOCRAISHOX-UHFFFAOYSA-N 257.381 3.748 0 40 CHAB CCCc1c(C)c2cc3c4c(c2oc1=O)CCCN4CCC3 526072 KWAZUHOVFSJZTC-UHFFFAOYSA-N 297.398 3.753 0 40 CHAB biogenic CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1 1016952 LUTRNRMYTRCENL-UHFFFAOYSA-N 269.344 3.900 0 40 CHAB O=S(=O)(O)c1cccc(Nc2ccc3ccccc3c2)c1 1669781 MOGCRPRMIFTBAO-UHFFFAOYSA-N 299.351 3.830 0 40 CHAB CC(C)CCN1NC2(CCC(C(C)(C)C)CC2)NC1=S 1902284 VVRGNMMLYUUURX-UHFFFAOYSA-N 297.512 3.660 0 40 CHAB CCCOc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1 1912027 DLBOJDUGXWEODZ-UHFFFAOYSA-N 298.386 3.834 0 40 CHAB C[C@H](NC(=O)c1ccncc1)c1ccc(Cl)cc1Cl 3336635 SQPSRRMJOMLBRF-VIFPVBQESA-N 295.169 3.879 0 40 CHAB Cc1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1C 3494327 TVBYTESOWQBVBR-UHFFFAOYSA-N 295.382 3.810 0 40 CHAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 4525545 NXSOHIGGBSRJBY-BMIGLBTASA-N 298.411 3.727 0 40 CHAB Cc1nc(Cl)c(Cc2ccccc2)c(N2CCCC2)n1 4575289 JKZUNGGSKUFOKH-UHFFFAOYSA-N 287.794 3.629 0 40 CHAB C[C@H]1CC[C@@H](C)N1CCCCN1[C@@H](C)CC[C@H]1C 6488382 KQJBXZGQUIZKMR-GEEKYZPCSA-N 252.446 3.512 0 40 CHAB CCCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 7261714 ZPHNQYIUKSAZLO-CYBMUJFWSA-N 273.376 3.890 0 40 CHAB C[C@@H](c1cccs1)N(C)CC(=O)Nc1cccc(F)c1 9446090 JXSZMWXKHSLKPC-NSHDSACASA-N 292.379 3.519 0 40 CHAB C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccncc1 9979160 HPAZXYVKUXASRZ-SNVBAGLBSA-N 298.371 3.574 0 40 CHAB CC(C)CNC(=S)Nc1ccccc1C(C)(C)C 13794030 SIWYNXHHCKOGLX-UHFFFAOYSA-N 264.438 3.927 0 40 CHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2)o1 16705363 QZHMVMJANOZTRA-XCUOTZKBSA-N 281.355 3.733 0 40 CHAB COc1ccccc1NC(=O)N[C@@H](C)c1ccccc1C 18175247 KDGXHXXWMPVKRZ-ZDUSSCGKSA-N 284.359 3.886 0 40 CHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCCC1 19933271 PPCZAYYPUYLBRB-MRXNPFEDSA-N 283.371 3.620 0 40 CHAB COc1cccc(NC(=O)c2ccccc2OC(C)C)c1 20289668 JRQAWPYJEYNFBO-UHFFFAOYSA-N 285.343 3.735 0 40 CHAB CCCCNc1cccc(I)c1 20359776 BZBZGZFHHWIDAP-UHFFFAOYSA-N 275.133 3.503 0 40 CHAB in-vitro C[C@@H](NC(=O)NC1CCCCC1)c1ccc(F)cc1 20538228 BVPQGFDBWOLTNQ-LLVKDONJSA-N 264.344 3.519 0 40 CHAB CC(C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 20539379 AMVSBKZWPLMVQE-LBPRGKRZSA-N 256.349 3.608 0 40 CHAB CCC1=Nc2ccccc2NC(N)=C1c1ccccc1OC 20635380 IZXPNVOKRLPAHR-UHFFFAOYSA-N 293.370 3.931 0 40 CHAB Cc1cc(C)c2nc(NC(=O)c3ccc(C)nc3)sc2c1 22410524 RRJGRUFMJSKMEP-UHFFFAOYSA-N 297.383 3.869 0 40 CHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)C1CCCCC1 28304991 FXSUPARDZUMAHU-UHFFFAOYSA-N 269.348 3.596 0 40 CHAB Cc1cc2nc(COc3ccc(F)cc3)[nH]c2cc1C 33004127 GZRUCZYDBBJEHT-UHFFFAOYSA-N 270.307 3.898 0 40 CHAB CCOc1cccc(CNc2ncnc3ccsc23)c1 37680093 UJPCZKVJSYGKLD-UHFFFAOYSA-N 285.372 3.702 0 40 CHAB Cc1c(C(=O)OCc2cccnc2)oc2c(F)cccc12 39969556 VDXCVFJMLPUAAR-UHFFFAOYSA-N 285.274 3.632 0 40 CHAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCCC1 40159879 NZFVLRPJLVNDKA-UHFFFAOYSA-N 267.328 3.715 0 40 CHAB Cc1ccc2oc(-c3ccc4nc(NN)sc4c3)nc2c1 40542369 ROIDREHEGFEZCV-UHFFFAOYSA-N 296.355 3.699 0 40 CHAB Cc1c(F)cccc1NC(=O)Nc1ccc(F)cc1 44844721 KJJPYRFWZBXEIV-UHFFFAOYSA-N 262.259 3.917 0 40 CHAB CC(C)=C[C@@H]1[C@H](C(=O)N(C)Cc2ccccc2)C1(C)C 53459055 CZVGRXXWFAQPQU-HZPDHXFCSA-N 271.404 3.883 0 40 CHAB Cn1c(SCCc2ccccc2)nnc1-c1ccccc1 57746046 MKKPEZZDNRMOKE-UHFFFAOYSA-N 295.411 3.817 0 40 CHAB CC(C)(C)NC(=O)COC(c1ccccc1)c1ccccc1 65548443 WCPYZKCLYRORSM-UHFFFAOYSA-N 297.398 3.707 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cc3ccccc3oc2=N)c1 67341942 VZWXTNODMGYRLE-UHFFFAOYSA-N 292.338 3.781 0 40 CHAB Cc1nc(CN2CCSC[C@@H]2c2ccccc2)oc1C 71909047 PJFPJYMXOWYJKB-OAHLLOKOSA-N 288.416 3.582 0 40 CHAB CN1CCCC[C@H]1c1cccnc1N1CCCCCC1 72216717 NFNINGTYYYOWGT-INIZCTEOSA-N 273.424 3.619 0 40 CHAB Cc1nc(C2(NCc3ccccc3)CCCCCC2)no1 78393971 GDQXGBPOHWVDPM-UHFFFAOYSA-N 285.391 3.717 0 40 CHAB CC(C)[C@@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 79070408 NFIQJVPDWVDDDO-ZBFHGGJFSA-N 289.444 3.522 0 40 CHAB C[C@@H](NCCc1cccc2cccnc12)c1ccco1 89910126 LGBGFIZBWHFYBZ-CYBMUJFWSA-N 266.344 3.721 0 40 CHAB CC(C)(C)OC(=O)/C=C/c1ccc(Br)cc1 94755209 FFPDSVNJARXKCJ-RMKNXTFCSA-N 283.165 3.804 0 40 CHAB CC[C@@H](C)CSc1nc(-c2ccccc2F)n[nH]1 95410276 GLHQIDXAPOBWJJ-SECBINFHSA-N 265.357 3.749 0 40 CHAB O=[S@@](Cc1coc(-c2cccs2)n1)c1cccs1 95428113 HHQBUYGQJPUQPA-GOSISDBHSA-N 295.410 3.772 0 40 CHAB CC(C)c1ccc(C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 95634424 XAGDIIWOXPHYBW-HUUCEWRRSA-N 272.344 3.660 0 40 CHAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)n1c2nc2ccccc21 100870584 CUQCMKVZKQHUMW-QLJPJBMISA-N 254.333 3.600 0 40 CHAB CCCCS(=O)(=O)c1ccc(Cl)c(Cl)c1 172883919 BLFGNOGXXZXLQM-UHFFFAOYSA-N 267.177 3.567 0 40 CHAB Cc1ccc2c(c1)cc([Si](C)C)n2C(=O)OC(C)(C)C 196100231 UBFHIFKDTOVEIA-UHFFFAOYSA-N 288.443 3.694 0 40 CHAB O=C1CC[C@@]2(CCc3ccccc32)N1Cc1ccccc1 220211932 JOLIWSMOFLPEMB-LJQANCHMSA-N 277.367 3.651 0 40 CHAB Cc1c(CN)c2cc(OC(C)C)ccc2n1C(C)C 223756327 ZFLIXLWWDIXPOO-UHFFFAOYSA-N 260.381 3.777 0 40 CHAB Cc1cccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)c1 225018482 PTFZNDLBTGJXCE-SFHVURJKSA-N 298.382 3.995 0 40 CHAB CCc1ccccc1C[C@@H](Oc1ccc(C)cc1)C(=O)O 225039454 UTCIRWLLAPZQTF-QGZVFWFLSA-N 284.355 3.632 0 40 CHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)C(C)C 225216623 ZBIKAGZTTCKHOA-WCQYABFASA-N 283.799 3.658 0 40 CHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)cc1 225601098 LQJPBAOAERGEQF-QGZVFWFLSA-N 291.391 3.762 0 40 CHAB CCCCn1c(CO)ccc1Cc1ccc(C)cc1 226029620 VHODAAKNSZJBSA-UHFFFAOYSA-N 257.377 3.680 0 40 CHAB Cc1nc2ccc(C(=O)N(C)c3ccccc3)cc2s1 348077310 HANLSOALKOGIEA-UHFFFAOYSA-N 282.368 3.881 0 40 CHAB CCSc1nnc(Cc2ccccc2)n1CC(C)C 409105226 HRFDQXQRBLZYJQ-UHFFFAOYSA-N 275.421 3.637 0 40 CHAB CCOC(=O)CCCC(=O)c1ccc(F)c2ccccc12 575357427 JHQQUTGKOHORFV-UHFFFAOYSA-N 288.318 3.895 0 40 CHAB Cc1ccc(-c2nc(Cc3ccccc3)no2)cc1 191623 VDBMLDYVEQNBER-UHFFFAOYSA-N 250.301 3.636 0 40 CHAB C[C@H](O)c1ccc(Oc2ccc([C@H](C)O)cc2)cc1 262380 NKDKJEOJMQSDNA-RYUDHWBXSA-N 258.317 3.586 0 40 CHAB Cc1ccc(C(=O)N(C)Cc2ccccc2)c(C)c1 514545 POGDSWZJXGLGCA-UHFFFAOYSA-N 253.345 3.576 0 40 CHAB Cc1ccc([C@H](Cc2ccccc2)NC(C)(C)CO)cc1 6522724 YMUFTSXVUQUZLE-SFHVURJKSA-N 283.415 3.639 0 40 CHAB CC(C)[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 57160062 BLPNDBQKTSBXHZ-MRVPVSSYSA-N 260.164 3.768 0 40 CHAB c1ccc([C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 10087047 HJVJZAHVCAGRHE-AWEZNQCLSA-N 295.342 3.667 0 40 CHAB c1ccc(CNCC[C@H]2CSc3ccccc3O2)cc1 521398114 GKJKQKYHIOBFPD-HNNXBMFYSA-N 285.412 3.720 0 40 CHAB Cc1cc(CSc2ccc3ccccc3n2)on1 36398037 SKNOMBVOKRJBDD-UHFFFAOYSA-N 256.330 3.824 0 40 CHAB C[C@H](NC(=O)C1CCCC1)c1ccc2c(c1)CCC2 53387279 QOGZWZSSPPKHRR-LBPRGKRZSA-N 257.377 3.543 0 40 CHAB O=C(CCc1cccs1)Nc1cccc(-c2ccn[nH]2)c1 29799376 HWNHRAJRSCGBOQ-UHFFFAOYSA-N 297.383 3.710 0 40 CHAB Cc1ccc(/C=C/C(=O)NCCCCc2ccccc2)o1 2748767 GHFNLSHRYGFEDQ-OUKQBFOZSA-N 283.371 3.740 0 40 CHAB Cc1oc(-c2ccccc2)nc1C(=O)NCC1CCCCC1 12733652 HAFDPKGNWHENOT-UHFFFAOYSA-N 298.386 3.960 0 40 CHAB OCc1ccc(OCc2ccc(F)cc2Cl)cc1 20031217 GDFPQVIELDWIAI-UHFFFAOYSA-N 266.699 3.550 0 40 CHAB Cc1ccc(C)c(NC(=O)CSc2nc(C)cs2)c1 3413929 PZXZJSPFAMYHMS-UHFFFAOYSA-N 292.429 3.799 0 40 CHAB Cc1ccoc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 13021944 HZNZSKSQJPWTIV-GFCCVEGCSA-N 291.347 3.694 0 40 CHAB CCOc1ccc(NC(=O)c2cccc3cccnc23)cc1 13000912 IYJARBCNHRMVFY-UHFFFAOYSA-N 292.338 3.886 0 40 CHAB c1ccc(-c2ccccc2OC[C@@H]2CCCNC2)cc1 14631177 NRIFYSHYGKWGQJ-OAHLLOKOSA-N 267.372 3.732 0 40 CHAB COc1ccc2[nH]c(C(=O)NCCC3=CCCCC3)cc2c1 9581762 IQCUAJKZYMLJEG-UHFFFAOYSA-N 298.386 3.797 0 40 CHAB Cc1cccc(CC(=O)Nc2cc(Cl)ccc2O)c1 8382887 ZFBBFNDAFYOAIV-UHFFFAOYSA-N 275.735 3.535 0 40 CHAB C[C@H]1CCCCN1c1ccc(N)cc1C(F)(F)F 8701202 XONMNUVUZOEONL-VIFPVBQESA-N 258.287 3.666 0 40 CHAB COC(=O)c1ccc(NCc2csc(C)n2)cc1Cl 95409883 CZNREIDVVIWQCA-UHFFFAOYSA-N 296.779 3.504 0 40 CHAB Cc1cc(I)ccc1C(F)(F)F 88385157 VVIDIHOUJXGOHT-UHFFFAOYSA-N 286.034 3.618 0 40 CHAB CCc1noc(CC)c1Cc1nc(-c2ccsc2)no1 88335504 CZYCQMUFNPJXOR-UHFFFAOYSA-N 289.360 3.502 0 40 CHAB CC1=CCN(Cc2ccc(Br)s2)CC1 89919771 YEWXXXUDHJBWRP-UHFFFAOYSA-N 272.211 3.663 0 40 CHAB Cc1cc(=O)cc(C)n1-c1ccc(C(C)(C)C)cc1 219779117 WZTFWSHXUFIAPF-UHFFFAOYSA-N 255.361 3.752 0 40 CHAB C[C@H]1CC(C)(C)N(CC(=O)O)c2cc(Cl)ccc21 223828069 QBSOMGBCDHMMAU-VIFPVBQESA-N 267.756 3.517 0 40 CHAB Cc1cc(C)cc(C[C@H](OCc2ccccc2)C(=O)O)c1 225039120 NQRDACWLJCGSND-KRWDZBQOSA-N 284.355 3.516 0 40 CHAB O=C(O)c1sc2ccc3cc[nH]c3c2c1Cl 228936905 KBEWUWPMHMMPMF-UHFFFAOYSA-N 251.694 3.734 0 40 CHAB CC[C@@H](C)Oc1ccc2c(c1)c(CNC)c(C)n2CC 223760459 HXHPAWKJSIMUTK-GFCCVEGCSA-N 274.408 3.866 0 40 CHAB CC[C@@H](C(=O)OC)N1c2ccccc2C(C)=CC1(C)C 223198626 FFYHLQVODZVTPY-AWEZNQCLSA-N 273.376 3.640 0 40 CHAB C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1ccc(-c2ccccc2)cn1 332180348 YQRLXUZCUIGCLE-OGHNNQOOSA-N 296.370 3.501 0 40 CHAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@@]3(C2)[C@@H]1O 257277702 NZBLNTHLVYJSCB-HBPKQKSZSA-N 272.388 3.561 0 40 CHAB C[Si](C)(C)c1ccc2nc(C(F)(F)F)ccc2c1 169808674 OPEFURRNQIXFCK-UHFFFAOYSA-N 269.342 3.799 0 40 CHAB O=C(CCC(F)(F)F)Nc1ccc(Cl)cc1F 173043736 QLCGQXFNCYKXNN-UHFFFAOYSA-N 269.625 3.760 0 40 CHAB Cc1ccc(/C=C/C(=O)N2CCCc3ccccc32)o1 106445 LASQNFCJWSWFMF-ZHACJKMWSA-N 267.328 3.581 0 40 CHAB Cc1cccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)c1 177226 IBBIWPNTXOQWIB-GDNBJRDFSA-N 297.741 3.993 0 40 CHAB CC[C@H]1CCCCN1CC(=O)c1c[nH]c2ccc(C)cc12 5561848 CZZCNCFZJXNAEH-AWEZNQCLSA-N 284.403 3.924 0 40 CHAB CCCN1C[C@H](C)[C@@](OC(C)=O)(c2ccccc2)C[C@@H]1C 13111055 KOICPRXXJBUEBL-RLFYNMQTSA-N 289.419 3.585 0 40 CHAB O=C(NCc1ccsc1)c1cccc2ccccc12 13698142 APSJMAYENZBTQU-UHFFFAOYSA-N 267.353 3.831 0 40 CHAB CCCCCNC(=S)Nc1ccccc1OCC 13818942 VIUIZLJTFALRIH-UHFFFAOYSA-N 266.410 3.562 0 40 CHAB OC1CCC(NC(c2ccccc2)c2ccccc2)CC1 19919026 UCFHNRASWJXBGB-UHFFFAOYSA-N 281.399 3.669 0 40 CHAB Fc1cccc(NCC(F)(F)F)c1Br 1848350244 YUGVTXQERWQRAL-UHFFFAOYSA-N 272.039 3.562 0 40 CHAB Cc1sc2ncnc(-n3cnc4ccccc43)c2c1C 755401 XWVHUTUPGMFKNO-UHFFFAOYSA-N 280.356 3.647 0 40 CHAB CN(CCOc1ccccc1Cl)C(=O)c1ccsc1 12919686 ODTDWPNWIMXNKW-UHFFFAOYSA-N 295.791 3.553 0 40 CHAB Cc1cc(C(C)(C)C)cc(C)c1CSC1=NCCN1 14201556 CFPNHLBURXBVCG-UHFFFAOYSA-N 276.449 3.793 0 40 CHAB Cc1noc([C@@H](C)Sc2ccc(C(F)(F)F)cn2)n1 40051857 LSVZIARQMVSMAZ-ZCFIWIBFSA-N 289.282 3.645 0 40 CHAB Cc1n[nH]c(SCc2ccccc2Oc2cccnc2)n1 50247771 JFUPHKVZHVCMPA-UHFFFAOYSA-N 298.371 3.593 0 40 CHAB CO[C@H]1C2=C(CCCC2)C(=O)N1[C@H](C)CCc1ccccc1 20149866 PPIQTESFORMGPF-KUHUBIRLSA-N 299.414 3.693 0 40 CHAB O=C(Cc1ccc(OC(F)F)cc1)Nc1ccccc1F 20897220 YQDFHIXHEWJWFI-UHFFFAOYSA-N 295.260 3.608 0 40 CHAB CC1CCN(C(=O)Cc2cccc3ccccc23)CC1 358767 LRYAFYREMMNOGS-UHFFFAOYSA-N 267.372 3.641 0 40 CHAB CSc1cccc(NC(=O)c2ccccc2F)c1 362952 YKZUIUXVMLULGI-UHFFFAOYSA-N 261.321 3.800 0 40 CHAB Cc1ccn2c(NC(=O)C(C)C)c(-c3ccccc3)nc2c1 549010 WZRAFQPWTVBKES-UHFFFAOYSA-N 293.370 3.904 0 40 CHAB CSc1ccc2nc(NC[C@H]3CCCO3)cc(C)c2c1 23634757 YCUGPXLRDDQLRM-GFCCVEGCSA-N 288.416 3.856 0 40 CHAB O=C(Nc1cccc(F)c1)c1ccc(Br)cc1 29628 DVMDXMXTDWNERV-UHFFFAOYSA-N 294.123 3.841 0 40 CHAB Cc1ccc(OCC(=O)Oc2c(C)cccc2C)cc1 129508 TUKPRJQXYVLBQZ-UHFFFAOYSA-N 270.328 3.596 0 40 CHAB Cc1ccc2c(c1)nnn2CNc1cccc2ccccc12 349326 KPWAJLIZVSWFLE-UHFFFAOYSA-N 288.354 3.963 0 40 CHAB Cc1nc2ccccc2cc1C(=O)Nc1ccc(F)cc1 353068 LNBCTRWALSRDER-UHFFFAOYSA-N 280.302 3.935 0 40 CHAB COc1ccc2c(c1)C(=O)C[C@@H](c1ccc(C)cc1)O2 489454 MVTYGNSQNJHOGL-KRWDZBQOSA-N 268.312 3.710 0 40 CHAB biogenic Cn1c(-c2ccccc2)cnc1NCc1ccccc1 819073 VUCSBDVPNNHFCV-UHFFFAOYSA-N 263.344 3.699 0 40 CHAB O=C(O)C[C@@H]1c2ccccc2CC[C@H]1c1ccccc1 1599939 QQAZKBDPNZVXTH-DLBZAZTESA-N 266.340 3.975 0 40 CHAB O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21 2012697 NMWKWBPNKPGATC-UHFFFAOYSA-N 271.914 3.971 0 40 CHAB biogenic,in-vivo O=C1O/C(=C\c2c[nH]c3ccccc23)c2ccccc21 2277271 FXDIAIYWNITYLJ-SXGWCWSVSA-N 261.280 3.836 0 40 CHAB Cc1cc(=O)cc(C)n1-c1ccc(Cl)cc1Cl 3184228 ZZVTZHQAOKNWPS-UHFFFAOYSA-N 268.143 3.761 0 40 CHAB Cc1cccc2nc(CSc3ccccc3C(=O)O)cn12 3305942 OBIJAFKZFWAIIE-UHFFFAOYSA-N 298.367 3.633 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N)cc1 4367019 XUEHUKMVOSJLFC-UHOFOFEASA-N 275.392 3.886 0 40 CHAB CCc1cc2ccccc2nc1SCCN1CCCC1 4929974 XLTIXPHSSLZGQZ-UHFFFAOYSA-N 286.444 3.985 0 40 CHAB Cc1ccc(OCC(=O)Nc2c(C)cccc2C)cc1C 5292444 BFWXADJPAWMKIA-UHFFFAOYSA-N 283.371 3.938 0 40 CHAB CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5468565 CACPCHOMMQXGKX-IUCAKERBSA-N 290.190 3.675 0 40 CHAB CCCC[C@@H](CC)C(=O)N1CCc2ccccc2C1 5591034 HMJSVLPHLJKVKH-CQSZACIVSA-N 259.393 3.788 0 40 CHAB CCOc1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 5987600 NXFJTLIIUMNGGM-UHFFFAOYSA-N 299.370 3.720 0 40 CHAB Cc1cc(C)c2c(CC(=O)Nc3cccnc3)coc2c1 6804261 XFMVPOQYZYMAGB-UHFFFAOYSA-N 280.327 3.626 0 40 CHAB Cc1cccc(NC(=O)c2cc(C)n(C)c2C)c1C 8051808 OHAJLYAMABTLHE-UHFFFAOYSA-N 256.349 3.511 0 40 CHAB Cc1cc(C(C)C)ccc1OCC(C)(C)C(=O)O 8730696 HUPWZPHXAXWGJJ-UHFFFAOYSA-N 250.338 3.608 0 40 CHAB CCC[C@@H](NC(=O)c1cccnc1OCC)c1ccccc1 9052615 MDISGAAMONUIQN-MRXNPFEDSA-N 298.386 3.752 0 40 CHAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N(C)C)(C4)C2)C3)cc1 12414275 CNWVHXWWXFHUSC-BANKROOTSA-N 297.442 3.921 0 40 CHAB CCOCCCNC(=O)N[C@H](CC)c1ccc(Cl)cc1 13330237 ZSDYRGPDWIWMOG-CQSZACIVSA-N 298.814 3.517 0 40 CHAB CCOc1ccc(CNC(=S)Nc2ccccc2)cc1 13669990 JVBMUIBDZNQNJP-UHFFFAOYSA-N 286.400 3.572 0 40 CHAB CC1CCN(C(=O)Nc2ccccc2Br)CC1 13746084 CKQUYRNKGRAZCK-UHFFFAOYSA-N 297.196 3.713 0 40 CHAB CCOc1ccccc1C(=O)Oc1ccccc1C(C)=O 14778806 AMROIQJXDRCAAC-UHFFFAOYSA-N 284.311 3.507 0 40 CHAB COc1cc(NC(=O)CCC(C)C)c(OC)cc1Cl 15970396 OVTNCPUDHBMFDU-UHFFFAOYSA-N 285.771 3.732 0 40 CHAB S=C(Nc1ccccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2 16212076 NHQSEXJBUGXWII-CWSCBRNRSA-N 280.824 3.815 0 40 CHAB C[C@H]1C[C@@H](C)CN(Cc2cc(Cl)cc3c2OCOC3)C1 16695545 FWNWUVHKTALMLV-TXEJJXNPSA-N 295.810 3.684 0 40 CHAB CCCCCc1c(C)nc(Nc2ccc(F)cc2)[nH]c1=O 18266670 YSXWSWNIZLJPJW-UHFFFAOYSA-N 289.354 3.694 0 40 CHAB COc1ccc2c(c1)CCN[C@@H]2c1ccc(Cl)cc1 19625708 RICTYUOVIOEWRA-MRXNPFEDSA-N 273.763 3.584 0 40 CHAB C[C@H](NC(=O)NC1CCCCC1)c1ccc(F)cc1 20538229 BVPQGFDBWOLTNQ-NSHDSACASA-N 264.344 3.519 0 40 CHAB CC[C@@H](O)c1nc2ccccc2n1Cc1cccc(C)c1 21170983 NXTVBMAWUUISBY-QGZVFWFLSA-N 280.371 3.836 0 40 CHAB Cc1nn(C)cc1C(=O)Nc1ccc(-c2ccccc2)cc1 28230568 QBWCWPFKYVLLEF-UHFFFAOYSA-N 291.354 3.648 0 40 CHAB C[C@H]1CCCCN1C(=O)c1ccc(Br)s1 32968951 YJYSDSMLQFPZFS-QMMMGPOBSA-N 288.210 3.525 0 40 CHAB COc1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CC2)cc1 41510192 NNZKXSWNYCHVJC-CQSZACIVSA-N 295.382 3.604 0 40 CHAB CCOC(=O)CCCCCCC(=O)c1ccsc1 43210321 ZYYZWDXKWIXVOO-UHFFFAOYSA-N 268.378 3.835 0 40 CHAB CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 49930411 IPZPRIULJGLYDG-UHFFFAOYSA-N 291.753 3.680 0 40 CHAB CC[C@H](C)NC(=O)c1sc(-c2ccc(F)cc2)nc1C 57807835 TZXVFLJWVMPVCL-VIFPVBQESA-N 292.379 3.786 0 40 CHAB Cc1noc(C)c1CNC(=O)c1cc(Cl)cc(Cl)c1 60063990 ABVLJWOQNZYPBW-UHFFFAOYSA-N 299.157 3.528 0 40 CHAB Cc1ccnc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 72211213 CVWXLPAUAYWWOM-AWEZNQCLSA-N 276.380 3.852 0 40 CHAB Cc1cc(S)ncc1[C@H]1CCCCN1C(C)C 72218341 KHBBNNUVICZPPS-CYBMUJFWSA-N 250.411 3.614 0 40 CHAB Cc1nc(CC(C)C)c(NC(=O)NC2CCCC2)s1 79109797 YCUOJZWVUQZTDZ-UHFFFAOYSA-N 281.425 3.714 0 40 CHAB CCCCCCC(=O)Oc1ccc2nccnc2c1 89862642 HGJNOMCBRSIQCF-UHFFFAOYSA-N 258.321 3.506 0 40 CHAB C[C@@H]1CSc2ccccc2[C@H]1NCc1ccco1 95427054 DEMVWLOJCWZKQT-ABAIWWIYSA-N 259.374 3.852 0 40 CHAB CCCCOCc1cc(C(=O)NCCC)ccc1OCC 224723324 CCXDAIVRAYRDSZ-UHFFFAOYSA-N 293.407 3.542 0 40 CHAB CCCOc1ccc(NC(=O)C2(OC)CCCC2)cc1C 225626736 QGSDNVDMXYXGMK-UHFFFAOYSA-N 291.391 3.682 0 40 CHAB CC(C)Oc1cccc(CC(=O)N[C@H]2CC[C@H](C)CC2)c1 519428144 AIGSUUQLNGNWKL-KOMQPUFPSA-N 289.419 3.711 0 40 CHAB O=C(O)c1cc(C2CC2)nc2cc(OC(F)(F)F)ccc12 1857793888 PZOUJXPSYITSOC-UHFFFAOYSA-N 297.232 3.709 0 40 CHAB FC(F)(F)c1ccc(-n2cnc(Cl)c2Cl)nc1 161111 WQGJPMYNOAHQPU-UHFFFAOYSA-N 282.052 3.593 0 40 CHAB C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 3158061 WCPDOFVPTAXHQT-SNVBAGLBSA-N 277.726 3.970 0 40 CHAB Cn1c(SCc2ccccc2)nnc1-c1ccccc1 375430 KIZKPJJGNSIZOD-UHFFFAOYSA-N 281.384 3.774 0 40 CHAB CC[C@@H](C)c1ccc(Nc2cc(C)nc3ncnn23)cc1 1368851 PIKBQUDSWCAPJT-LLVKDONJSA-N 281.363 3.690 0 40 CHAB COc1ccccc1[C@@H](C)S[C@@H](C)c1nnc(C)o1 79010748 NIQYBBAGAAUXSB-ZJUUUORDSA-N 278.377 3.942 0 40 CHAB CCc1nnc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)o1 79103738 PFQZGNVAZMMRLA-MAUKXSAKSA-N 297.402 3.533 0 40 CHAB O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCCCC1 1665778 ZGYPFPPCAPRYKE-OALUTQOASA-N 281.399 3.947 0 40 CHAB CCCCN[C@@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 1667053 OOKFNBJFELGWFO-RBUKOAKNSA-N 299.414 3.860 0 40 CHAB CSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 3248196 ROYQOESJGQAAIJ-UHFFFAOYSA-N 296.395 3.724 0 40 CHAB O=C(Nc1ccc2scnc2c1)C1CCCCC1 8737137 YJZXLRXFMCTRJS-UHFFFAOYSA-N 260.362 3.815 0 40 CHAB CC[C@H](C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 28505375 PGXNEBCSWMOVFJ-ZDUSSCGKSA-N 282.387 3.830 0 40 CHAB CCOc1ccccc1C(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101290874 MQGJHHCSHAIAKK-DSJMHWKBSA-N 287.403 3.640 0 40 CHAB CCOC(=O)c1ccccc1C(=O)C1CCCCC1 2514398 YSGGWYZJNCJPAH-UHFFFAOYSA-N 260.333 3.626 0 40 CHAB O=C(NCC1CCCCC1)[C@@H]1CCCc2ccccc21 12905897 FHSXJCIHXSBTCF-QGZVFWFLSA-N 271.404 3.803 0 40 CHAB C[C@H](Nc1ccccc1Oc1ccccc1)C(=O)NC1CC1 6313715 QCWONKROULENPY-ZDUSSCGKSA-N 296.370 3.558 0 40 CHAB O=C(NC1CCCC1)c1occc1COc1ccccc1 14171834 RMLUHKGLIRDAJP-UHFFFAOYSA-N 285.343 3.531 0 40 CHAB Cc1ccc(C)c(Nc2c(N)oc(=O)c3ccccc23)c1 6667070 NBTCXPKQNGFBKR-UHFFFAOYSA-N 280.327 3.736 0 40 CHAB COc1ccccc1/C=C/C(=O)N(C)Cc1ccc(C)cc1 20450324 XAIGWPUIPZDZOC-OUKQBFOZSA-N 295.382 3.675 0 40 CHAB Fc1cccc(C2=NC3(CCCCCC3)NC2=S)c1 6818737 UXGLYHUENZVFKO-UHFFFAOYSA-N 276.380 3.596 0 40 CHAB Cc1cccc(NC(=O)Cc2cccc(Cl)c2)c1 67786076 FGJMPEWOBBRZDG-UHFFFAOYSA-N 259.736 3.830 0 40 CHAB CCC(CC)NC(=O)Cc1csc(-c2ccccc2)n1 7971560 BZDJJZHSCSOIQZ-UHFFFAOYSA-N 288.416 3.657 0 40 CHAB O=C(Nc1nonc1-c1ccccc1)c1cccc(Cl)c1 8868547 GCAJROKDGMLLRD-UHFFFAOYSA-N 299.717 3.642 0 40 CHAB Cc1nnc(CN2CCCCC[C@H]2/C=C/c2ccccc2)o1 84291505 WAJRVYGAQVJWKO-FLVLSHQESA-N 297.402 3.836 0 40 CHAB C[C@@H](NC(=O)Cc1ccsc1)c1ccccc1Cl 23482319 OWOAJBCOKOQTCU-SNVBAGLBSA-N 279.792 3.821 0 40 CHAB Oc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 22120017 XTEYKFZGNGZOIS-UHFFFAOYSA-N 272.691 3.763 0 40 CHAB CCSc1nsc(NC(=O)c2cccc(Cl)c2)n1 28049354 HBDYQPAZKYQSHM-UHFFFAOYSA-N 299.808 3.556 0 40 CHAB O=C(O)c1cc(OCc2ccc(F)cc2)c2ccccc2n1 67341755 KNSWQTFRRIBUQA-UHFFFAOYSA-N 297.285 3.651 0 40 CHAB CCCOc1ccccc1/C=C1/SC(=O)N(CC)C1=O 408605131 WZUZWLVOIZVFBJ-JLHYYAGUSA-N 291.372 3.532 0 40 CHAB Cc1ccc(-c2nnc(CO[C@@H]3CCC[C@H](C)C3)o2)o1 521393913 DUIRTUCVOALGLO-CMPLNLGQSA-N 276.336 3.733 0 40 CHAB Cc1cc(OCc2csc([C@@H]3CCCO3)n2)cc(C)n1 128175646 CAKNTSNBPGSMLT-AWEZNQCLSA-N 290.388 3.585 0 40 CHAB CCCN1CCC[C@H]1c1cccnc1SCC 72217183 NRNJUOHPUWCFMS-ZDUSSCGKSA-N 250.411 3.741 0 40 CHAB CC[C@H](O)c1ccc(N(C)c2ccccc2)nc1C 72224385 PWCCHHFXKONHNR-HNNXBMFYSA-N 256.349 3.601 0 40 CHAB OCc1ccc2nc(-c3cccc(F)c3)sc2c1 73740291 FWYDPPAPGDNRFB-UHFFFAOYSA-N 259.305 3.595 0 40 CHAB CCC[C@@H](C)NC(=O)COc1cc(C)ccc1C(C)C 222756806 RHPGATSHVCZOAZ-CQSZACIVSA-N 277.408 3.802 0 40 CHAB Cc1ccc(-c2noc(-c3ccccc3N)n2)c(C)c1 89262346 UPIPVEONIZEYND-UHFFFAOYSA-N 265.316 3.603 0 40 CHAB Cc1ccc([C@H](C)NC(=S)Nc2ccncc2)cc1C 225708828 SSIYOKLPDHMDGA-ZDUSSCGKSA-N 285.416 3.746 0 40 CHAB C[Si](C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 195780500 BTTWFQLGBPPYPU-UHFFFAOYSA-N 281.258 3.816 0 40 CHAB Cc1ccccc1CN1CC[C@H](c2nc3ccccc3[nH]2)C1 49169072 MPFBGHNPXABGSM-INIZCTEOSA-N 291.398 3.861 0 40 CHAB biogenic,in-vitro CC(C)(C)c1cc(Cl)ccc1OC1CCNCC1 42775324 LDNMMNNROPYIPQ-UHFFFAOYSA-N 267.800 3.768 0 40 CHAB CC(=O)Nc1ccc(O[C@H]2CCc3ccccc32)cc1 41104975 NIPURDUUHUSSHH-KRWDZBQOSA-N 267.328 3.711 0 40 CHAB Cc1ccc(Br)c(NCc2nc(C)c(C)o2)c1 90083259 QWFPRVFNAAHPSX-UHFFFAOYSA-N 295.180 3.974 0 40 CHAB Cc1cc(NCc2ccc(F)s2)n(CC(C)C)n1 256052812 OUEDNDUEEHCBFF-UHFFFAOYSA-N 267.373 3.660 0 40 CHAB S=C(Nc1ccccc1Cl)N[C@H]1C[C@H]2CC[C@H]1C2 260658799 NHQSEXJBUGXWII-KWBADKCTSA-N 280.824 3.815 0 40 CHAB O=C(C[C@@H]1CCCC1(F)F)Nc1ccc2cnccc2c1 822283754 VNQNKYPMIMYZJX-ZDUSSCGKSA-N 290.313 3.999 0 40 CHAB COCc1ccc(CNc2cnc3ccccc3c2)o1 97115574 FNCZNUMKOJNQQZ-UHFFFAOYSA-N 268.316 3.586 0 40 CHAB Clc1ncc(I)c2ccsc12 238520070 RBEDPBMJXJNUIB-UHFFFAOYSA-N 295.532 3.554 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(OC)c1 13994744 LAWWXRFFQNRORJ-INIZCTEOSA-N 299.370 3.800 0 40 CHAB CCCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 14030963 NRJUYMOTLJHJEW-UHFFFAOYSA-N 297.354 3.930 0 40 CHAB Cc1nn(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 16266487 SJJLZGSCEBLOKR-UHFFFAOYSA-N 294.745 3.931 0 40 CHAB CC(C)(C)c1ccc(NC(=O)c2ccccc2N)cc1 1579742 DDSAKDUYVNQREE-UHFFFAOYSA-N 268.360 3.819 0 40 CHAB CC(=O)N(Cc1cccnc1)c1nc2ccc(C)cc2s1 4273147 ZWMBIQPXOPRHGE-UHFFFAOYSA-N 297.383 3.553 0 40 CHAB CC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 7599148 FIKMWMDTWOLKSJ-UHFFFAOYSA-N 258.302 3.515 0 40 CHAB O=C(/C=C/c1ccccc1)c1ccc2c(c1)CCO2 5515204 SHJNAKZQIZBNDC-SOFGYWHQSA-N 250.297 3.518 0 40 CHAB O=C(CCCSc1ccccc1)Nc1ccccc1O 72615631 RSJUFFZQMPQHRP-UHFFFAOYSA-N 287.384 3.903 0 40 CHAB O=C(Nc1ccccc1)[C@@H]1C[C@@H]1Cc1ccccc1 478213 FBUQLYZARVFVHQ-GOEBONIOSA-N 251.329 3.504 0 40 CHAB O=C(/C=C/c1cccs1)N1CCCc2ccccc21 509681 CNZRFAWOYRSCCI-MDZDMXLPSA-N 269.369 3.741 0 40 CHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 142068 YKQAWQITONYURX-UHFFFAOYSA-N 297.251 3.775 0 40 CHAB Cc1ccc(Oc2ccc3cc[n+](C)cc3c2)cc1 1716205 PMLJNBOKDNPUAK-UHFFFAOYSA-N 250.321 3.765 0 40 CHAB CN(C)c1ccc([C@H](O)Cc2ccc3ccccc3n2)cc1 1763199 GKEOQBCCYRZLGE-LJQANCHMSA-N 292.382 3.577 0 40 CHAB Cc1cn([C@H]2OC(=O)c3ccccc32)c2ccccc12 2047957 DFOBYISMRRWAJN-INIZCTEOSA-N 263.296 3.667 0 40 CHAB CC(=O)c1sc(NC(=O)C(C)C)nc1-c1ccccc1 2699374 ZHGRXQJWFYGDEB-UHFFFAOYSA-N 288.372 3.607 0 40 CHAB Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)o1 3448896 NLDQABCCDAZGDF-QPJJXVBHSA-N 281.233 3.657 0 40 CHAB CC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 3907681 JUHNEVFLWHBYPW-VIFPVBQESA-N 278.739 3.523 0 40 CHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1sc(=O)[nH]c1SC2(C)C 4112631 OQJMAILQCVBBBU-IWSPIJDZSA-N 269.435 3.841 0 40 CHAB c1ccc(CSc2ccc(-c3ccncc3)nn2)cc1 4391868 DULSYOWVMZLJEW-UHFFFAOYSA-N 279.368 3.831 0 40 CHAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O 4521752 VOXZDWNPVJITMN-DZVNLGKHSA-N 272.388 3.609 0 40 CHAB biogenic,in-vitro Cc1ccc(NCc2cc3cc(C)ccc3[nH]c2=O)cc1 5025151 ZDYRPYHRWBYFGA-UHFFFAOYSA-N 278.355 3.757 0 40 CHAB C[C@@H](NC(=O)C(C)(C)C)C12CC3CC(CC(C3)C1)C2 5920596 SLWUBSADFSFVQD-SFCYXTAJSA-N 263.425 3.754 0 40 CHAB CCCc1nnc2sc(-c3ccc4ccccc4c3)nn12 6668899 BNFOKDHTJBOMKP-UHFFFAOYSA-N 294.383 3.959 0 40 CHAB CCOC(=O)c1ccc(COC(=O)c2ccc(C)cc2)cc1 6956266 IPKVWSGDRWLFIN-UHFFFAOYSA-N 298.338 3.529 0 40 CHAB Cc1ccc(COc2ccc(CCC(=O)O)cc2)cc1 8019334 GQFSPJQVMMFCPT-UHFFFAOYSA-N 270.328 3.591 0 40 CHAB Cc1ccc(-c2cc(O)n3c(n2)nc2ccccc23)cc1 8973529 CUBXURIAKHWXSS-UHFFFAOYSA-N 275.311 3.564 0 40 CHAB CCOc1ccc(OCC)c(NC(=O)c2ccc(C)o2)c1 9314537 BNXHYAOZXUCPDV-UHFFFAOYSA-N 289.331 3.638 0 40 CHAB O[C@H](Cc1nc2ccccc2n1C(F)F)c1ccccc1 9338072 MWZYMZVPXZSFHX-CQSZACIVSA-N 288.297 3.708 0 40 CHAB O=C(/C=C/c1ccccc1)Nc1ccc2scnc2c1 10217426 QCWTWFFQVPFYCY-RMKNXTFCSA-N 280.352 3.948 0 40 CHAB COc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 10747407 DJYZMBOKKRJUEM-UHFFFAOYSA-N 289.762 3.920 0 40 CHAB Cc1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1C 12564029 GNWQGSXZLHPAAN-GOSISDBHSA-N 294.398 3.735 0 40 CHAB Cc1cccc(-n2ncc(C(=O)N3CCCCCC3)c2C)c1 13010456 CWKSFCKCWCEXAA-UHFFFAOYSA-N 297.402 3.505 0 40 CHAB O=C(NC1CCCCC1)[C@H]1CCCc2ccccc21 13011972 BRZYFIUIHOQJHL-INIZCTEOSA-N 257.377 3.555 0 40 CHAB Cc1ccc(C)c2nc3c(cc12)CN(CC1CC1)C(=O)O3 13226969 YAYZCDNQWFNTCF-UHFFFAOYSA-N 282.343 3.576 0 40 CHAB Cc1ccc(CC(=O)NC2CCCCCC2)cc1C 13680459 YQBXKAZZBVLPEO-UHFFFAOYSA-N 259.393 3.685 0 40 CHAB Fc1ccc(NC(=S)NC2CCCCCC2)c(F)c1 13818411 ZYISFMUJWSBELW-UHFFFAOYSA-N 284.375 3.974 0 40 CHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCc1ccccc1 14013206 LIQVAKUJNLUOQB-SFHVURJKSA-N 297.398 3.511 0 40 CHAB CCCCc1ccc(C(=O)C[C@@H](C)CC(=O)O)cc1 15441769 JIJAHSARWNVTJE-GFCCVEGCSA-N 262.349 3.713 0 40 CHAB NC(=O)Nc1ccc(/C=C2/C=Cc3ccccc32)cc1 16951237 IHCKIQWKCHGQNB-KAMYIIQDSA-N 262.312 3.745 0 40 CHAB O=C(Nc1cccnc1)c1ccc(-c2ccccc2F)o1 19603671 OBUFMFCJKXNNGG-UHFFFAOYSA-N 282.274 3.733 0 40 CHAB COc1ccc(CNC[C@H](C)Oc2ccccc2C)cc1 19737651 JBOKHAJDYOZODE-HNNXBMFYSA-N 285.387 3.561 0 40 CHAB CC(CNC(=O)C1CCC1)(c1ccccc1)c1ccccc1 21669768 AYGLKDJPHJHDQS-UHFFFAOYSA-N 293.410 3.909 0 40 CHAB CCCN(CCC)C(=O)Cc1c(C)[nH]c2ccc(F)cc12 24536690 XJWUAEUPXHTNCG-UHFFFAOYSA-N 290.382 3.807 0 40 CHAB COc1ccccc1C(=O)N[C@H](C)c1ccc(C)cc1C 30871543 XMTGACVNSKWMLY-CQSZACIVSA-N 283.371 3.803 0 40 CHAB CC[C@H](C)[C@H](C(=O)Nc1nnc(C)s1)c1ccccc1 32992760 CGDCBCPFRCOMTF-GWCFXTLKSA-N 289.404 3.615 0 40 CHAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(Cl)s1 40083170 RUJRZTGRCRGZHX-RXMQYKEDSA-N 289.191 3.600 0 40 CHAB O=C(Nc1ccccc1OCCc1ccccc1)C1CC1 40090790 NTXDYPRKCHJDOR-UHFFFAOYSA-N 281.355 3.657 0 40 CHAB CC[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 40097905 HMRWRAAXUPJFKH-MRVPVSSYSA-N 260.259 3.625 0 40 CHAB Cc1cc(F)ccc1NC(=O)N(CC(C)C)C1CC1 43420719 HLNZKTDWSLUKJX-UHFFFAOYSA-N 264.344 3.786 0 40 CHAB CN(CCC(=O)c1ccc(Cl)cc1)C1CCCC1 53974416 RRFWRJTULIHDQD-UHFFFAOYSA-N 265.784 3.787 0 40 CHAB Cc1nccn1-c1ccc(NC(=O)C[C@H]2C=CCC2)cc1F 56103132 OODVGCPADPHCHJ-ZDUSSCGKSA-N 299.349 3.615 0 40 CHAB O=C(Nc1ccccc1F)[C@@H]1CCCc2ccccc21 57561370 QHRXFZRMZKQSTB-CQSZACIVSA-N 269.319 3.884 0 40 CHAB CCC(CC)(CC)NC(=O)Nc1ccccc1OC 72296060 NITMABAJKZXPSO-UHFFFAOYSA-N 264.369 3.786 0 40 CHAB CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)nc(C)n2C 84735477 ZDPZSLXHDSUFAC-ZFWWWQNUSA-N 299.418 3.580 0 40 CHAB Cc1cc(NC(=O)c2ccc(C)c(Cl)c2)c(C)cn1 89643336 NIZMUAGAYDCNAI-UHFFFAOYSA-N 274.751 3.913 0 40 CHAB CC(C)(C)c1ccc(C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 95634001 FCMRRKGQHMNKGE-GJZGRUSLSA-N 286.371 3.834 0 40 CHAB Cc1nnc([C@H](C)N[C@H](C)c2oc3ccccc3c2C)o1 97111908 JMRABMWVCWFGKU-MNOVXSKESA-N 285.347 3.844 0 40 CHAB O=C(O)CC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100318096 HUDYINFVSMWUNU-JDPPGYRCSA-N 270.372 3.999 0 40 CHAB CCOc1ccc(C(=O)Nc2cccc(COC)c2)cc1C 225186680 KUBYHDGIXWJZCG-UHFFFAOYSA-N 299.370 3.792 0 40 CHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2N 245229301 SXFQJBRXNODJBV-NVTXSZTESA-N 289.463 3.637 0 40 CHAB c1ccc(CSc2ncnc3ccccc23)cc1 24749 QJZTVGMLKDNEMO-UHFFFAOYSA-N 252.342 3.922 0 40 CHAB Cc1cc(C)cc(NC(=O)c2cc3ccccc3c(=O)o2)c1 204894 ZSOTTXPRKDXEJP-UHFFFAOYSA-N 293.322 3.662 0 40 CHAB Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 219613 YMSASJWYMXQHFV-UHFFFAOYSA-N 269.344 3.629 0 40 CHAB CCOc1ccccc1NC(=O)c1ccc(C)c(C)c1 483091 GLTRTADCOMTRTP-UHFFFAOYSA-N 269.344 3.954 0 40 CHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccccc3)[C@@H]1[C@@H]2C 519334 PLYQNNOXZOYWGG-GCDKYVQMSA-N 272.388 3.585 0 40 CHAB biogenic C[C@@H](NC(=O)c1c[nH]c2ccccc12)c1ccccc1 1399483 VIVUWJYJDRCDBQ-GFCCVEGCSA-N 264.328 3.659 0 40 CHAB COc1ccc(C(=O)NC2CCCCCCC2)c(OC)c1 1480308 QTIYHWLCPAZWJM-UHFFFAOYSA-N 291.391 3.547 0 40 CHAB C[C@H](O)CN1c2ccccc2Sc2ccccc21 1636901 OOARYLWNROHOKX-NSHDSACASA-N 257.358 3.670 0 40 CHAB in-vitro COc1cc2ccncc2cc1OCc1ccccc1 1757731 NMMLTNCMJLKZIO-UHFFFAOYSA-N 265.312 3.822 0 40 CHAB CCCCCC(=O)Nc1ccccc1Br 2072509 NPQAEVKITSHHQT-UHFFFAOYSA-N 270.170 3.968 0 40 CHAB CCOc1ccccc1NC(=O)N1CCc2ccccc21 2532762 CYTGYTOESVJZBR-UHFFFAOYSA-N 282.343 3.680 0 40 CHAB CCCC[C@@H](CC)CNC(=O)c1ccc(OC)c(OC)c1 2741686 KUIUXGMVTJBCSQ-CYBMUJFWSA-N 293.407 3.650 0 40 CHAB O=C(Cc1ccccc1F)Nc1ccc(Cl)cc1 3549307 HTCMYCLHIPAXLR-UHFFFAOYSA-N 263.699 3.660 0 40 CHAB C[C@H](Cc1ccccc1)NCCCc1ccccc1 3874851 CYWPIEBWQAZHQX-MRXNPFEDSA-N 253.389 3.840 0 40 CHAB Cc1ccccc1SCc1nc2ccccc2c(C)[n+]1[O-] 4744234 FPWWUQVRNOSGRZ-UHFFFAOYSA-N 296.395 3.777 0 40 CHAB Cc1ccc(C)c(OCCC(=O)Nc2ccccc2)c1 6338518 UWRIJJKUVWRCQT-UHFFFAOYSA-N 269.344 3.711 0 40 CHAB Cc1ccc(NS(=O)(=O)c2cc(C)ccc2C)c(C)c1 6623313 DYSBIHSVNKKNQI-UHFFFAOYSA-N 289.400 3.721 0 40 CHAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 7053937 GOQXDCIJGUTXRH-UHFFFAOYSA-N 289.400 3.785 0 40 CHAB C[C@@H](NC(=S)Nc1ccccc1F)c1ccccc1 7557513 OJURCOSJYFWJBB-LLVKDONJSA-N 274.364 3.873 0 40 CHAB CC(C)NC(=S)N[C@@H](C)c1cccc2ccccc12 7619251 BOQCAYWSTKXAII-LBPRGKRZSA-N 272.417 3.773 0 40 CHAB Cc1ccsc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886090 LXAGWOWYJIKOSL-HNNXBMFYSA-N 284.384 3.785 0 40 CHAB O=C(CCc1ccsc1)Nc1cccc2ncccc12 8073476 WJBLLZHQDXEXJG-UHFFFAOYSA-N 282.368 3.868 0 40 CHAB Cc1ccc(OC(=S)Nc2ccc(F)cc2)cc1 8686028 UKXGFVBMECMNFZ-UHFFFAOYSA-N 261.321 3.910 0 40 CHAB C[C@@H](NC(=O)c1ccoc1)c1ccc(Br)cc1 8939625 OLHVGOSJQBKEIY-SECBINFHSA-N 294.148 3.533 0 40 CHAB O=C(Cc1cccs1)Nc1ccnn1C1CCCCC1 9125401 ARSKFVKLVABAJO-UHFFFAOYSA-N 289.404 3.631 0 40 CHAB C[C@@H](c1ccccc1)N(C)C(=O)NCCc1ccccc1 11760641 DFVXXMHBYVJMBW-HNNXBMFYSA-N 282.387 3.632 0 40 CHAB Cc1occc1-c1nc(NC(C)C)ncc1-c1ccccn1 12222848 AEKKHZTYDVMUJR-UHFFFAOYSA-N 294.358 3.927 0 40 CHAB O=C1CCC[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]12 12959692 RFCMYEBTZKSRRN-FHWLQOOXSA-N 293.366 3.917 0 40 CHAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1C 16504625 JUDAOMMTTMUUHU-UHFFFAOYSA-N 293.370 3.546 0 40 CHAB O=C(NC1CCCCC1)OC/C=C\c1ccccc1 17023945 OIGDQZWKPRNDGP-YFHOEESVSA-N 259.349 3.759 0 40 CHAB O=C(O)c1ccc(Oc2cccc(C(F)(F)F)n2)cc1 20357722 PSSVTMMIPLAXFT-UHFFFAOYSA-N 283.205 3.591 0 40 CHAB CN(C)c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1 21695578 DHCWKSVWANBEOG-UHFFFAOYSA-N 298.361 3.562 0 40 CHAB COc1ccc([C@@H](CN(C)C)C2=CCCCC2)cc1 22055564 OARSYJZOOXFPDU-KRWDZBQOSA-N 259.393 3.841 0 40 CHAB in-vitro Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cn1 22412005 KNXRDWYDPFWBLZ-UHFFFAOYSA-N 268.360 3.940 0 40 CHAB Cc1oc(C)c(C(=O)Nc2ccc(F)cc2F)c1C 24830075 ZFOVCUZPDULRCO-UHFFFAOYSA-N 265.259 3.735 0 40 CHAB ClC(Cl)(Cl)c1nnc(-c2ccccc2)o1 30823112 ZJUAJDHQUFXWLV-UHFFFAOYSA-N 263.511 3.563 0 40 CHAB COc1cccc(OC)c1C(=O)N[C@H](C)c1ccc(C)cc1 30861745 XWLICMMHMDYAGJ-CYBMUJFWSA-N 299.370 3.503 0 40 CHAB COc1ccc(C(C)=O)cc1CN1CCCc2ccccc21 32668098 KVDXWJYXLPBOAA-UHFFFAOYSA-N 295.382 3.851 0 40 CHAB CCC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 38754675 XFFZELDGAVNZIC-HIFRSBDPSA-N 277.408 3.684 0 40 CHAB O=C(NCc1cccs1)Nc1cccc(OC(F)F)c1 40120538 YDBFMYOEQIYOLC-UHFFFAOYSA-N 298.314 3.671 0 40 CHAB O=C(Cc1cccs1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 44231211 AJOTXCWNBYRRJD-NXEZZACHSA-N 291.338 3.528 0 40 CHAB Cc1cc([C@H]2CCCN2Cc2cc(-c3ccco3)on2)on1 44975721 HBIKAODQPPAHIB-CYBMUJFWSA-N 299.330 3.568 0 40 CHAB CCN(CC)C(=O)CSc1ccc2ccccc2c1 45965624 XJSULGPIUOJCGU-UHFFFAOYSA-N 273.401 3.800 0 40 CHAB C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1ccccc1 46635572 CXCONJLWCSGHFX-CQSZACIVSA-N 267.372 3.842 0 40 CHAB Cc1ccc(OCc2nc(-c3ccco3)oc2C)cn1 69816959 ZUKLVEKZQWKZKS-UHFFFAOYSA-N 270.288 3.525 0 40 CHAB Cc1c(Br)cc(Br)c(O)c1C 71255474 MKCNODSSAHAREV-UHFFFAOYSA-N 279.959 3.534 0 40 CHAB Cc1cccnc1[C@H](NC(=O)c1ccccc1F)C(C)C 71908532 CAZJKYXTLRMXLO-OAHLLOKOSA-N 286.350 3.656 0 40 CHAB CCCCN1CCCC[C@@H]1c1ccc(OC)nc1C 72218100 PGEDJJHDWPCGSS-OAHLLOKOSA-N 262.397 3.726 0 40 CHAB CCN1CCCC[C@H]1c1cnc(N2CCCC2)cc1C 72218877 YZSNRHOBRDSALU-INIZCTEOSA-N 273.424 3.537 0 40 CHAB CC(C)C(=O)N(c1ccccc1)C1Cc2ccccc2C1 72307564 JSGLWXGEIYWAPC-UHFFFAOYSA-N 279.383 3.843 0 40 CHAB Cc1sc2c([C@@H]3CCCN(C(C)C)C3)nc(C)n2c1C 72367725 LWUDJBFLPAXBCU-CQSZACIVSA-N 291.464 3.909 0 40 CHAB CC(=O)N(C1CC1)[C@@H](C)c1cccc2ccccc12 73840763 IXHNVIPSJZZXBR-LBPRGKRZSA-N 253.345 3.912 0 40 CHAB Nc1ccc(-c2nc3cc(Cl)cnc3o2)cc1Cl 78406874 PPYHYSPPIGRTHD-UHFFFAOYSA-N 280.114 3.779 0 40 CHAB CSc1cccc(NC(=O)CCC(F)(F)F)c1 79313647 WATPVPYLVVUPSI-UHFFFAOYSA-N 263.284 3.690 0 40 CHAB CC(=O)C[C@H](C)Sc1ccc(Br)cc1 82793895 TXMWVFAESARCQI-VIFPVBQESA-N 273.195 3.909 0 40 CHAB Clc1ccc([C@H]2CCCN2)c(Br)c1 84623586 LMURJLTUTXGEFZ-SNVBAGLBSA-N 260.562 3.527 0 40 CHAB CSCC1(CN2CCC[C@H]2c2ccc[nH]2)CCC1 89493461 WTEUUNIXPKFWPO-AWEZNQCLSA-N 264.438 3.685 0 40 CHAB Cc1noc(C)c1[C@H](C)CN[C@H](C)c1ccsc1 90765017 VBQAEYZCXGLQCS-NXEZZACHSA-N 264.394 3.807 0 40 CHAB Cc1ccc([C@@H](C)NCc2nccn2CC(C)C)s1 95423172 NPNAAOXDDYSGJB-CYBMUJFWSA-N 277.437 3.760 0 40 CHAB Cc1nc(N)sc1-c1ccnc(C2(C(F)(F)F)CC2)c1 95629717 NDKQODPFCYXYRJ-UHFFFAOYSA-N 299.321 3.690 0 40 CHAB Cc1ccc(Oc2oc(-c3ccccc3)nc2C(N)=O)cc1 96346012 FIWFMUQPMPUNEW-UHFFFAOYSA-N 294.310 3.541 0 40 CHAB Cc1sc(-c2cccc(C(F)(F)F)c2)nc1C(=O)O 97173592 KBFBMJOICTZQCV-UHFFFAOYSA-N 287.262 3.836 0 40 CHAB C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cccnc2)C1 98014243 TULAAQGZLPNOMG-LRDDRELGSA-N 299.349 3.836 0 40 CHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCCOC1CCCCC1 105765151 GOAZDPQWBBPBDG-HRCADAONSA-N 293.451 3.668 0 40 CHAB C[C@@H](NC(=O)c1cc2ccccc2[nH]1)[C@H]1C[C@H]2CC[C@H]1C2 105875859 KJAIHCHTYYYKCX-UKTARXLSSA-N 282.387 3.722 0 40 CHAB NN[C@H](c1ccccc1)c1cc(Cl)ccc1Cl 161799761 OURBLJBZPVQDIC-CYBMUJFWSA-N 267.159 3.546 0 40 CHAB Cc1cc(C)c2oc(-c3cc(N)cc(N)c3C)nc2c1 216735746 NSGCTDLOPXLQPS-UHFFFAOYSA-N 267.332 3.584 0 40 CHAB Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C 224050852 BDOPXSCOYPXFEC-BRWVUGGUSA-N 271.404 3.541 0 40 CHAB COc1ccccc1-c1ncc(-c2cccc(N)c2)o1 226102910 GTWAPYQOGHSOII-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB COc1ccc(-c2cc(-c3cccc(N)c3)no2)cc1 226103600 DOXIIHICJADDFY-UHFFFAOYSA-N 266.300 3.599 0 40 CHAB CCCOc1cccc(C(=O)Nc2cccc([C@H](C)O)c2)c1 226274370 ZFGUEDXCBHTYPX-ZDUSSCGKSA-N 299.370 3.781 0 40 CHAB Cc1nccc([C@@H]2CCCN(Cc3ccc(C)s3)C2)n1 257307194 SXPAADJENOAHFO-CQSZACIVSA-N 287.432 3.535 0 40 CHAB COC(=O)CCc1c[nH]c2c(Cl)ccc(Cl)c12 259563703 XBYFEWCXOLKHQJ-UHFFFAOYSA-N 272.131 3.580 0 40 CHAB O=C(c1ccsc1)N1[C@H]2CC[C@H]1c1ccccc12 265721706 MWYMUPFWKRMGDU-KBPBESRZSA-N 255.342 3.780 0 40 CHAB Cc1cccc(CC(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)c1 618257662 ZMJAUBUCAIICEQ-ROUUACIJSA-N 281.399 3.781 0 40 CHAB Cc1cccc(C(=O)N2CCCc3ccccc32)c1 29577 PHLRPARNRZNBQR-UHFFFAOYSA-N 251.329 3.588 0 40 CHAB Cc1[nH]cnc1CSCc1ccc(Cl)cc1 347471 OLNROQBEBPDIFI-UHFFFAOYSA-N 252.770 3.805 0 40 CHAB O=C(Oc1cncc(Cl)c1)c1sccc1Cl 480176 XXVXZFGPKATXGX-UHFFFAOYSA-N 274.128 3.669 0 40 CHAB Cc1ccc2c(Cl)c(C(=O)NC3CC3)sc2c1 483347 DFBSVCLRJJBHCK-UHFFFAOYSA-N 265.765 3.755 0 40 CHAB O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCCCC1 1665777 ZGYPFPPCAPRYKE-RTBURBONSA-N 281.399 3.947 0 40 CHAB CC(=O)NCC[C@@H]1[C@@H](c2c(C)n(C)c3ccccc23)C1(C)C 2109181 BGICSBMBQSLWQY-QAPCUYQASA-N 298.430 3.753 0 40 CHAB biogenic O=C(Nc1nc2c(F)cccc2s1)c1cccs1 2723794 MASADMYAERVUKE-UHFFFAOYSA-N 278.333 3.749 0 40 CHAB CCN(CCC(=O)Nc1ccccc1C)Cc1ccccc1 2786466 FAXAGCRWQCYNDS-UHFFFAOYSA-N 296.414 3.846 0 40 CHAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccnc2)N3)C1 4125403 JSPZKXLFHZSMIN-XPTSAGLGSA-N 299.399 3.697 0 40 CHAB O=c1ccc(Cl)cn1Cc1cccc(C(F)(F)F)c1 5749765 KEFAVUZDEGPTAK-UHFFFAOYSA-N 287.668 3.569 0 40 CHAB CC(C)CCC[C@H](C)NC(=O)c1ccccc1S 6509757 LYVBOMHWUCLRQI-LBPRGKRZSA-N 265.422 3.920 0 40 CHAB Oc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1 6745426 IIUIMMDMCJMHIN-UHFFFAOYSA-N 287.322 3.769 0 40 CHAB CCC[C@@H](C)NC(=O)CSCc1ccccc1C 6945458 XKTIGVJVWOAHNW-CYBMUJFWSA-N 265.422 3.533 0 40 CHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 7593487 JNETWIKAVHEILJ-SVRRBLITSA-N 275.682 3.536 0 40 CHAB Cc1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 12914599 UKZJHWUYPYSJPY-UHFFFAOYSA-N 294.358 3.573 0 40 CHAB C[C@H]1CCCN(C(=O)CCCc2c[nH]c3ccccc23)C1 13015288 IMANNOCBYADGIL-AWEZNQCLSA-N 284.403 3.749 0 40 CHAB Cc1cc(-c2cccc(Br)n2)ccc1C(=O)O 16696614 NATPZGMOBLARQC-UHFFFAOYSA-N 292.132 3.518 0 40 CHAB CC[C@H](NC(=O)COc1ccccc1)c1ccc(C)cc1 17841595 VEMKJMBFQSEVEP-KRWDZBQOSA-N 283.371 3.641 0 40 CHAB CCCCOc1ccc(CNCc2cccnc2)cc1 19737634 DZTYWTCDZGMALS-UHFFFAOYSA-N 270.376 3.550 0 40 CHAB O=C(NCc1ccc(F)cc1)Nc1ccc(Cl)cc1F 20457883 YXLPZKBJBUEJTM-UHFFFAOYSA-N 296.704 3.940 0 40 CHAB O=C(O)/C=C/c1cccc(OCc2cccc(F)c2)c1 20526810 DCNYBNWFVPMPHQ-BQYQJAHWSA-N 272.275 3.503 0 40 CHAB CC(C)[C@H](CCNCCN(C)C)c1ccc(Cl)cc1 20588562 GSIMJBKUNUUXIX-INIZCTEOSA-N 282.859 3.621 0 40 CHAB Cc1cc(C(=O)COc2ccccc2C(F)(F)F)c(C)[nH]1 23497922 MWNJCKNTNADEGH-UHFFFAOYSA-N 297.276 3.912 0 40 CHAB Cc1cc(NC(=O)[C@@H](C)SCc2ccccc2C)no1 24080765 OAXNQYFQURUFRM-GFCCVEGCSA-N 290.388 3.552 0 40 CHAB Oc1ccc(/C=C/CC[C@@H](O)CCc2ccc(O)cc2)cc1 31168439 HLWUXTFOZZSNLD-XKKXFUJGSA-N 298.382 3.885 0 40 CHAB biogenic,in-vitro COc1ccc(F)cc1[C@@H](C)NCc1ccsc1 37089786 WVXMFHCSHXIRQN-SNVBAGLBSA-N 265.353 3.747 0 40 CHAB COCc1ccccc1NC(=O)N(C)C1CCCCC1 40527948 FEPHPRNOJPELTO-UHFFFAOYSA-N 276.380 3.629 0 40 CHAB Cc1ccc(NC(=O)/C=C/c2cccnc2)c(Cl)c1 42648932 BRMJMCAWXAAAAU-FNORWQNLSA-N 272.735 3.695 0 40 CHAB Cc1cc(N)cc(-c2nc3ccc(F)cc3s2)c1O 45920012 PJQJLIPNZLTYIA-UHFFFAOYSA-N 274.320 3.699 0 40 CHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(CN2CCCCC2)c1 48314214 FULGSUWOZWHCCX-MRXNPFEDSA-N 298.430 3.967 0 40 CHAB Cc1cccc(CN(Cc2c(C)noc2C)C2CC2)c1 52047176 OARUKJJHAXDFMD-UHFFFAOYSA-N 270.376 3.764 0 40 CHAB Cc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1 59408971 RTZCTZQHENIPDE-HNNXBMFYSA-N 254.358 3.692 0 40 CHAB COC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 72207228 ZMEHYZAOFLUSPF-QWRGUYRKSA-N 275.373 3.743 0 40 CHAB CCCN1CCCC[C@@H]1c1ccc(N2CCCC2)nc1C 72218938 LCDGNVWIVDILDQ-QGZVFWFLSA-N 287.451 3.927 0 40 CHAB CSc1ccc2nc(NC[C@@H]3CCCO3)sc2c1 75172856 OXWJMTCLKCQGEE-VIFPVBQESA-N 280.418 3.609 0 40 CHAB Cc1csc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 84268432 ISUDVYVHNKJNGF-GFCCVEGCSA-N 299.399 3.977 0 40 CHAB CCCN(CC)C(=O)c1cc2c(c3ccccc3n2C)n1C 96146277 ZHBNIALYOIQDES-UHFFFAOYSA-N 297.402 3.542 0 40 CHAB CCc1nc(C)c([C@@H](C)N(C)CCc2ccccn2)s1 96424498 GWJJNDTZEWSBMC-CYBMUJFWSA-N 289.448 3.644 0 40 CHAB Cc1cc(C(=O)Nc2sc(-c3ccccc3)nc2C)on1 97372064 ODQQBLVZXLZMQX-UHFFFAOYSA-N 299.355 3.667 0 40 CHAB Cc1cc(C(C)(C)C)cc(C)c1COc1cccc[n+]1[O-] 102702715 IPJUYFNIGZYTOH-UHFFFAOYSA-N 285.387 3.813 0 40 CHAB S=C(Nc1cccc2cnccc12)N[C@@H]1C[C@H]2CC[C@H]1C2 105700574 DGFZRCSOVRKKQM-MQIPJXDCSA-N 297.427 3.710 0 40 CHAB Cc1ccc(CC(=O)N2c3ccccc3C[C@@H]2C)c(C)c1 223349095 ANBBGBWHFGAPPB-HNNXBMFYSA-N 279.383 3.824 0 40 CHAB CC1=CC(C)(C)N([C@@H](C)C(=O)O)c2cc(Cl)ccc21 223825307 OAJIMVPWICFAGJ-JTQLQIEISA-N 279.767 3.815 0 40 CHAB CCCOc1ccc(C(=O)NCC2=CCCCC2)cc1 224271292 GYIAIIQVGZINBC-UHFFFAOYSA-N 273.376 3.706 0 40 CHAB Cc1cccnc1NC(=S)N[C@H](C)CCc1ccccc1 225516353 WEDSBHWLKQVITC-CQSZACIVSA-N 299.443 3.698 0 40 CHAB CCCC(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 226098046 FTHHBNRALYAZSW-UHFFFAOYSA-N 287.363 3.522 0 40 CHAB Nc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 226365332 LBBGUIMODOCMPX-UHFFFAOYSA-N 296.301 3.920 0 40 CHAB CCCCOCc1nn([C@@H](C)CC)cc1Br 408715522 BKVUFPSOKNUXSY-JTQLQIEISA-N 289.217 3.933 0 40 CHAB C[C@@H](C1CCCCC1)N(C)C(=O)CCc1cncs1 508412426 PZGSWQMHWSJXBX-LBPRGKRZSA-N 280.437 3.503 0 40 CHAB FC(F)(F)c1ccnc(N2[C@H]3CC[C@H]2CC(=C2CC2)C3)n1 1776009413 JRGPBETZCJVVNF-RYUDHWBXSA-N 295.308 3.717 0 40 CHAB CC[C@@H](C)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 365425 GASKZHVEXCSTMX-CYBMUJFWSA-N 281.355 3.902 0 40 CHAB O=C(Nc1cccnc1)Nc1ccc2ccccc2c1 1107787 WSHWNJVHKYVMMM-UHFFFAOYSA-N 263.300 3.879 0 40 CHAB O=C1CCCCCN1c1ncc(C(F)(F)F)cc1Cl 1406270 KADXRCMJBBBRPT-UHFFFAOYSA-N 292.688 3.661 0 40 CHAB Cc1ccc(N2C(=O)S[C@H](Cc3ccccc3)C2=O)cc1 1453064 FREQJMOEDUGQIE-OAHLLOKOSA-N 297.379 3.806 0 40 CHAB CCCNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 1643125 QQSVVKSJRPBHAI-UHFFFAOYSA-N 292.382 3.835 0 40 CHAB CC(=O)c1cccc(NC(=O)CCCc2ccccc2)c1 2073541 WWTOZDMZXWTYPH-UHFFFAOYSA-N 281.355 3.851 0 40 CHAB CCCCC[C@H]1OC[C@@]2(CO)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 2139476 KWAQTWWTBCDMPK-BPKGMFCQSA-N 266.425 3.793 0 40 CHAB CCCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)NC1CCCCC1 2227720 DDWWBWGWCOFFDU-DZGCQCFKSA-N 297.439 3.743 0 40 CHAB C[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(F)cc1 3367747 RHCPRBRSUXBBQK-ZDUSSCGKSA-N 283.346 3.735 0 40 CHAB CCOc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 3483072 UYQLVDVHUYWJSJ-IZZDOVSWSA-N 285.318 3.876 0 40 CHAB Clc1ccc(Oc2cnns2)c2ncccc12 4053850 LEQWCCKSEKDFIR-UHFFFAOYSA-N 263.709 3.532 0 40 CHAB CC1=NN(c2ccccc2)[C@@H]2c3ccccc3[N+]([O-])=C(C)[C@@H]12 4280450 BWMMOELXELJKRE-QZTJIDSGSA-N 291.354 3.856 0 40 CHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)c1ccccc1 4765183 XEOQHVVLXIUVHB-XLNGHYISSA-N 290.403 3.724 0 40 CHAB O=C(Nc1ccc(F)cc1)Nc1c[nH]c2ccccc12 5299936 MKOGVXMQPSONNP-UHFFFAOYSA-N 269.279 3.951 0 40 CHAB COc1ccc(NC(=O)c2sccc2-n2cccc2)cc1 5744687 PSDMLAGSFMNMIO-UHFFFAOYSA-N 298.367 3.800 0 40 CHAB Cc1cc2nc(NC(=O)Nc3ccccc3F)[nH]c2cc1C 6203383 LVKLZJMMXQDOCC-UHFFFAOYSA-N 298.321 3.963 0 40 CHAB CC(C)(C)NCC(=O)Nc1ccccc1Cc1ccccc1 6559917 WJBCYXKPTXCWKA-UHFFFAOYSA-N 296.414 3.604 0 40 CHAB O=N/C(=C(\c1ccccc1)N1CCOCC1)c1ccccc1 6568009 XCINXTZVGIOBGZ-ISLYRVAYSA-N 294.354 3.611 0 40 CHAB COCc1ccc(C(=O)Nc2ccc(F)cc2C)cc1 7472907 ADCZTZWGMVWEOU-UHFFFAOYSA-N 273.307 3.533 0 40 CHAB Cc1ccc(F)cc1NC(=S)NCCc1ccccc1 8685124 KRCFIRKWDBSBNE-UHFFFAOYSA-N 288.391 3.663 0 40 CHAB O=CN1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 9925788 HCHYRNSAYPDAFQ-INIZCTEOSA-N 284.746 3.648 0 40 CHAB CCCCc1c(C)nn(-c2ccc(Cl)cc2)c1O 9937238 LJTBJNQTNZWJQT-UHFFFAOYSA-N 264.756 3.882 0 40 CHAB CCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 12903806 VLAGLHXTVIPPMW-UHFFFAOYSA-N 257.308 3.569 0 40 CHAB Cc1cccc(C(=O)Nc2ccc(Cl)c3ncccc23)n1 13018626 ZCMXGBORAAVYQL-UHFFFAOYSA-N 297.745 3.844 0 40 CHAB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2)cc1 13132347 GKFVKVSTVJKHMZ-IAGOWNOFSA-N 290.370 3.733 0 40 CHAB CCCCN1C(=O)c2ccccc2[C@@H]1O[C@H](C)CC 13941907 PMKHBDPQULBXHR-WBMJQRKESA-N 261.365 3.756 0 40 CHAB O=C(Nc1ccccc1)c1ccc(F)cc1Br 14182159 QRONRYDURKFGLM-UHFFFAOYSA-N 294.123 3.841 0 40 CHAB c1ccc(COc2ccc(CNC3CC3)cc2)cc1 16480395 YNSUOZJVQSBFBF-UHFFFAOYSA-N 253.345 3.518 0 40 CHAB COc1ccc(/C=C/Cc2cc(C)ccc2O)cc1 17013064 HIGNYHQARNYZJR-ONEGZZNKSA-N 254.329 3.965 0 40 CHAB CCCCSc1nnc(-c2c[nH]c3ccccc23)n1C 18180081 ZIWGBDHHSXSEAX-UHFFFAOYSA-N 286.404 3.856 0 40 CHAB CCC(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 20158408 CLPUKAHRFWOWAJ-UHFFFAOYSA-N 282.299 3.549 0 40 CHAB O=C(Nc1ccc(Cl)cc1)c1noc2c1CCCCC2 20478504 DHHWNAFTRQVFJE-UHFFFAOYSA-N 290.750 3.849 0 40 CHAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1OC(F)F 27989896 LADBSWRFBCOQOB-JQWIXIFHSA-N 283.318 3.597 0 40 CHAB CCc1ccc2ncnc(NCCc3ccc(F)cc3)c2c1 32541122 PREDXAFLTCMTOI-UHFFFAOYSA-N 295.361 3.986 0 40 CHAB CC(C)(C)OC(=O)N1CC(c2ccc(Cl)cc2)=CC1=O 34959831 RVTNSVQBHKTRFB-UHFFFAOYSA-N 293.750 3.501 0 40 CHAB CCC[C@@H](C)NC(=O)Nc1cccc(Br)c1 40023778 RYBOORFYXPNQFA-SECBINFHSA-N 285.185 3.759 0 40 CHAB COc1ccc(Cl)cc1CSc1nncn1C1CC1 40487661 BRYQKSCGNUWTOQ-UHFFFAOYSA-N 295.795 3.567 0 40 CHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(F)c(C)c2)c1 41091246 WPVQODWOAFQUML-UHFFFAOYSA-N 293.363 3.552 0 40 CHAB Cc1cccc(N(C)C(=O)Cc2noc3ccccc23)c1C 55896866 KWEKIFRBOYHMCL-UHFFFAOYSA-N 294.354 3.650 0 40 CHAB Nc1cccc2c1ccn2Cc1ccccc1Cl 71163920 SYLBAUNPYXRRBT-UHFFFAOYSA-N 256.736 3.925 0 40 CHAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)c1 71283758 ULQALIWOEBCLAI-ZDUSSCGKSA-N 285.347 3.596 0 40 CHAB Cc1csc(NC(=O)c2sc(C)nc2C(C)C)n1 74629418 RFLPKHAYDMOIPR-UHFFFAOYSA-N 281.406 3.592 0 40 CHAB CCO[C@H]1C[C@H](NCc2cccc(O)c2)C12CCCCC2 75092251 IIRGZAREOFZPFD-IRXDYDNUSA-N 289.419 3.610 0 40 CHAB CCCn1ccc2cc(NC(=O)c3cscn3)ccc21 78483059 BDOIVFLCDQLBDX-UHFFFAOYSA-N 285.372 3.760 0 40 CHAB CC[C@@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)cc1 84734073 DSHLPNCDNJEMLA-GDBMZVCRSA-N 287.382 3.641 0 40 CHAB Cc1c(Cl)cccc1C(=O)c1ccc(N(C)C)cc1 95916375 CLHQBUFBYWQYRY-UHFFFAOYSA-N 273.763 3.945 0 40 CHAB CCC[C@H](N[C@H](C)Cc1cccs1)C(=O)OC(C)(C)C 95943449 AEHZIUTZCQPDLH-OCCSQVGLSA-N 297.464 3.779 0 40 CHAB CS[C@H]1CC[C@H](N(C)C(=O)Nc2ccccc2F)C1 98019220 ARKFUXISIAKFLU-QWRGUYRKSA-N 282.384 3.574 0 40 CHAB Cc1cc(C)cc([C@H](C)NCc2ccc(CO)cc2)c1 183106087 RLYNKEQUNZVVJA-HNNXBMFYSA-N 269.388 3.647 0 40 CHAB O=C(Nc1ccc2sncc2c1)C1(c2ccccc2)CC1 188225120 SQAMDSGZERBSKE-UHFFFAOYSA-N 294.379 3.967 0 40 CHAB CC1=CCC[C@H](C)[C@H]1CNc1ccc2oc(=O)[nH]c2c1 191950982 CARNDBIGMPSEKG-AAEUAGOBSA-N 272.348 3.525 0 40 CHAB O=C(c1ccco1)N1CCS[C@@H](c2ccccc2)CC1 211142970 PQVUPZKHYCEOJF-OAHLLOKOSA-N 287.384 3.600 0 40 CHAB O=C(O)c1cc(Cl)c2[nH]c(-c3ccccc3)nc2c1 216920576 HSZRTZLTJIPYPT-UHFFFAOYSA-N 272.691 3.582 0 40 CHAB O=C(O)Cc1cnc2ccccc2c1-c1ccccc1 217608519 ZQQLWHCGDQFHET-UHFFFAOYSA-N 263.296 3.529 0 40 CHAB Cc1ccc(CC(=O)NCc2ccccc2Cl)c(C)c1 224687003 VGTMCATZKAVWFN-UHFFFAOYSA-N 287.790 3.816 0 40 CHAB CCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1C 226352277 DNWYPJHZFBAANW-UHFFFAOYSA-N 287.315 3.692 0 40 CHAB CCOC(=N)c1ccc(OC(F)(F)F)c(Cl)c1 228955074 GMDXHYQDJDPNDT-UHFFFAOYSA-N 267.634 3.600 0 40 CHAB Fc1cccc(-c2cncc(Br)c2)c1F 380140443 YMOQPOKBSSPSHK-UHFFFAOYSA-N 270.076 3.789 0 40 CHAB CC[C@@]1(CNCc2ccccc2)OCCc2ccccc21 521394250 ZDTMCLQRGBNEFQ-IBGZPJMESA-N 281.399 3.654 0 40 CHAB CN(C)CCOc1cccc(F)c1Oc1ccccc1 585265011 CCRKDVOBXACOIX-UHFFFAOYSA-N 275.323 3.558 0 40 CHAB CCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C 338080 IBZDZQPHYQLIDH-UHFFFAOYSA-N 282.343 3.596 0 40 CHAB CCc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 352735 IHJPNIPCCNPMJQ-MOPGFXCFSA-N 299.414 3.973 0 40 CHAB O=C1c2cccc(Cl)c2C(=O)N1c1cccc(Cl)c1 356165 YNYFXDNUGFVVJO-UHFFFAOYSA-N 292.121 3.794 0 40 CHAB O=C1CCCC[C@@H]1[C@H](O)c1c(Cl)cccc1Cl 1567504 FZYIXDFVZCYBSS-SDBXPKJASA-N 273.159 3.786 0 40 CHAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 1589782 NQBTWEFKQQCACE-CNKMAHKYSA-N 264.324 3.614 0 40 CHAB CCC1=C(c2ccc(OC)cc2)CC[C@@]2(CCNC2=O)[C@H]1C 1871576 HLOROWSFWSHOTM-ORAYPTAESA-N 299.414 3.795 0 40 CHAB CCCCC(=O)Nc1nc2ccc(OCC)cc2s1 2192862 BFQBFLPIKVTEBV-UHFFFAOYSA-N 278.377 3.824 0 40 CHAB Cc1csc(NC(=O)C2(c3ccccc3)CCCC2)n1 2512741 DCRNZJJNEITOIW-UHFFFAOYSA-N 286.400 3.902 0 40 CHAB COc1cccc(COC(=O)c2ccc3ncsc3c2)c1 2626874 CRYWFWHJTGHVJN-UHFFFAOYSA-N 299.351 3.662 0 40 CHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1F 3608503 MUPFPGNDJWQETC-MRXNPFEDSA-N 269.319 3.633 0 40 CHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 3869419 QGXBDMJGAMFCBF-SPHXVARUSA-N 290.447 3.959 0 40 CHAB biogenic Cc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 4646528 VRSWNXIEMWQXOU-IHWZXDPASA-N 287.403 3.923 0 40 CHAB CCn1c(CNC(=O)c2ccccc2F)cc2ccccc21 4973469 LNYSRCSNFSKZNG-UHFFFAOYSA-N 296.345 3.730 0 40 CHAB Cc1ccc(NC(=O)COc2ccccc2F)cc1Cl 5104834 JDWQWDPFWJDQST-UHFFFAOYSA-N 293.725 3.805 0 40 CHAB COCc1cccc(C(=O)Nc2cccc(Cl)c2)c1 5278343 KSKPNXBDBZNXMO-UHFFFAOYSA-N 275.735 3.739 0 40 CHAB Fc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 5859334 LSFRSIXXDUFESI-UHFFFAOYSA-N 291.395 3.555 0 40 CHAB CCCCNC1=NN=C(c2cc3ccccc3o2)CS1 5861422 QVSJWAFZJVEFLS-UHFFFAOYSA-N 287.388 3.629 0 40 CHAB C[C@@H](CC(=O)NCc1ccccc1F)c1ccccc1 6260512 VHCCTXJWCPLAEU-ZDUSSCGKSA-N 271.335 3.636 0 40 CHAB CC(C)CCNC(=O)CSCc1ccc(Cl)cc1 6306695 ICRJVPMJMQJNBH-UHFFFAOYSA-N 285.840 3.736 0 40 CHAB CCC[C@@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 7520990 QCLQLNKQZJCJPD-MRVPVSSYSA-N 274.792 3.954 0 40 CHAB O=C(CCc1nc2ccccc2o1)NC1CCCCCC1 8304172 YUIJLFLMSYFKNE-UHFFFAOYSA-N 286.375 3.599 0 40 CHAB O=C(Nc1ccccn1)c1ccc2c3c(cccc13)CC2 8729035 QJLAYMWRJSQCSH-UHFFFAOYSA-N 274.323 3.586 0 40 CHAB CC(C)C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 9141106 XODBQAQGDWBANS-UHFFFAOYSA-N 294.354 3.767 0 40 CHAB COc1ccccc1C(=O)N[C@H](c1ccccc1)C1CC1 11201785 BGZKUENAEWSSIO-QGZVFWFLSA-N 281.355 3.576 0 40 CHAB Cc1nc[nH]c1CN(Cc1cccc(F)c1)Cc1ccco1 12147059 PXBBMBMINVLKGA-UHFFFAOYSA-N 299.349 3.653 0 40 CHAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1 12562534 NPHQEVHHLRQGEH-GFCCVEGCSA-N 298.361 3.754 0 40 CHAB FC(F)(F)c1cnc2c(-c3ccccc3)n[nH]c2c1 13598791 RMLYBOFNPFVGSA-UHFFFAOYSA-N 263.222 3.644 0 40 CHAB Cc1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1C 13668662 NPGHQYXJACEIFD-HNNXBMFYSA-N 295.382 3.660 0 40 CHAB CCc1ccccc1NC(=O)N1CCc2ccccc2C1 15899652 ZXGPWOZBZZJGFF-UHFFFAOYSA-N 280.371 3.839 0 40 CHAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3ccccc3O)c2c1 24662044 WLURQXZONZVKEU-UHFFFAOYSA-N 294.354 3.672 0 40 CHAB Cc1cc(=O)cc(C)n1-c1cc(Cl)ccc1Cl 26770961 AYCKISNBTGLMHW-UHFFFAOYSA-N 268.143 3.761 0 40 CHAB Cc1ccn(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 28219730 QLFKXHZXXHYURL-UHFFFAOYSA-N 292.342 3.825 0 40 CHAB Cc1ccc(C(=O)Nc2ccccc2-n2cccn2)c(C)c1 32912891 JTWUODQWQIQWKH-UHFFFAOYSA-N 291.354 3.741 0 40 CHAB Cc1noc([C@@H](C)Nc2ccc(Br)c(C)c2)n1 40059761 JFUNOYZBDVSHNA-MRVPVSSYSA-N 296.168 3.622 0 40 CHAB COCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 40133928 IGICFLCCFXIRHZ-UHFFFAOYSA-N 295.382 3.816 0 40 CHAB CC(C)c1cc(Cl)ccc1OC[C@@H]1CCCNC1 42775178 ZZCCJPIMFDWYIW-GFCCVEGCSA-N 267.800 3.842 0 40 CHAB CC[C@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 44595797 LCCSQMXWROEXPI-VIFPVBQESA-N 274.191 3.841 0 40 CHAB CC[C@H](Oc1ccccc1C)C(=O)N1CCCC(C)(C)C1 44845792 XBRPTWFCTPMQIT-HNNXBMFYSA-N 289.419 3.801 0 40 CHAB CCNC(=O)c1sc(-c2ccccc2)cc1OCC 45584963 VJBYOXNKIQOWOL-UHFFFAOYSA-N 275.373 3.564 0 40 CHAB Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 46438674 LAOUEGFZRXQPHC-UHFFFAOYSA-N 276.748 3.613 0 40 CHAB Nc1cc(Nc2ccccc2)nc(-c2ccccc2F)n1 49467800 RHQNZYBTSBVLPZ-UHFFFAOYSA-N 280.306 3.609 0 40 CHAB Cc1ccc([C@H](NC[C@@H]2CCCCO2)C2CC2)cc1 51099991 GBZAHSJSEPBFNM-IRXDYDNUSA-N 259.393 3.605 0 40 CHAB Cc1cc(N2CCCCCCC2)nc(-c2ccncc2)n1 57825121 DSWWBOUZTNTQAR-UHFFFAOYSA-N 282.391 3.618 0 40 CHAB CCC[C@@H]1CCCN(C(=O)c2c[nH]c3ncccc23)CC1 61586024 PDFRLKHCNIYXJX-CYBMUJFWSA-N 285.391 3.605 0 40 CHAB CCc1ccccc1N1N=C(C(=O)O)C[C@@H]1c1ccccc1 71979030 FZCOGEFLVNAZDL-QGZVFWFLSA-N 294.354 3.641 0 40 CHAB CC(C)n1cc(-c2cccc(Br)c2)cn1 72209972 MJMRKZPYQPJOHE-UHFFFAOYSA-N 265.154 3.894 0 40 CHAB CC(=O)N1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 72214251 PAAVPOLJNPMLBP-QGZVFWFLSA-N 295.386 3.533 0 40 CHAB CCCCc1ccc(-n2nc3ccc(N)c(C)c3n2)cc1 73740128 LZMZEDOFSZRKHJ-UHFFFAOYSA-N 280.375 3.654 0 40 CHAB C[C@H]1C[C@H](n2cc(C(=O)C(F)(F)F)cn2)CC[C@H]1C 85037010 XIXBRAQXQGCRHW-WCABBAIRSA-N 274.286 3.625 0 40 CHAB CCOP(=O)(OCC)C(F)(F)[C@@H](F)C(F)(F)F 142604344 OJOPDPFTMNISAP-YFKPBYRVSA-N 288.124 3.746 0 40 CHAB C[C@H](NC[C@H]1CCCO1)c1ccccc1OC1CCCC1 225162320 RDERECKJMXNEPY-GOEBONIOSA-N 289.419 3.838 0 40 CHAB Cc1ccc(CN[C@@H](C)c2c(C)nn(C)c2C)c(C)c1 253422848 CVQDQMKBXYWZOO-ZDUSSCGKSA-N 271.408 3.505 0 40 CHAB CC(=O)c1c(C)nc2cc(-c3ccc(C)cc3)nn2c1C 408545308 XPGQKBHAAUCAKR-UHFFFAOYSA-N 279.343 3.524 0 40 CHAB Cc1nc(CNc2cc(C)c(C)cc2Cl)co1 566478443 GQBUHGIOJRHADQ-UHFFFAOYSA-N 250.729 3.865 0 40 CHAB CCc1c(C2CC2)[nH]c2ccc(C(F)(F)F)cc2c1=O 685938409 LUFYZVLOOOXIRT-UHFFFAOYSA-N 281.277 3.987 0 40 CHAB FC(F)(F)Oc1ccc2ncc(Br)cc2c1 1504072220 JUNJKVZKGKPEGV-UHFFFAOYSA-N 292.054 3.896 0 40 CHAB Cc1cc(CCC(=O)N2[C@H]3CC[C@H]2CC(F)C3)ccc1F 1775986044 QOKBSMDTGSUPDR-GJZGRUSLSA-N 293.357 3.558 0 40 CHAB Oc1nc(SCC2CCCCC2)nc2c1CCCC2 1888913574 LBGCIMLIGZJZHT-UHFFFAOYSA-N 278.421 3.733 0 40 CHAB CC(=O)N(CCCc1ccccc1)OCc1ccccc1 996 NUTAQRYCLMZJIK-UHFFFAOYSA-N 283.371 3.600 0 40 CHAB in-man O=C(Nc1cnc2ccccc2c1)c1cccs1 100839 JDRUHELATNKNIQ-UHFFFAOYSA-N 254.314 3.549 0 40 CHAB C[C@H](NC(=O)c1cc2ccccc2o1)c1cccs1 267390 UJLIPVGYHFCRKK-JTQLQIEISA-N 271.341 3.985 0 40 CHAB Cc1cc(C)nc(NC(=O)c2c(Cl)cccc2Cl)n1 892759 JWPWDKKAYRBJAZ-UHFFFAOYSA-N 296.157 3.653 0 40 CHAB O=C1CCCc2ccccc2N1Cc1cccc(F)c1 1386973 BPTOSZIRDKQCPX-UHFFFAOYSA-N 269.319 3.695 0 40 CHAB Cc1c(N(C)c2ccccc2)c(=S)n(C)c(=S)n1C 1582598 WQRWZQZTIBCSDB-UHFFFAOYSA-N 291.445 3.899 0 40 CHAB Cc1cc(C)c2c(c1)CC(C)(C)C[C@]2(O)[C@@H]1CCCCN1 1668789 GLZCSJATWRPEOC-LPHOPBHVSA-N 287.447 3.606 0 40 CHAB Cc1ccc2[nH]cc(CCNC(=O)c3ccccc3C)c2c1 2441751 CWNFPSAHCRTAKO-UHFFFAOYSA-N 292.382 3.757 0 40 CHAB O=C(Nc1ccccc1F)c1ccc(OC(F)(F)F)cc1 2628409 YSMDMNKULDMTJV-UHFFFAOYSA-N 299.223 3.977 0 40 CHAB Cc1ccccc1C(=O)Nc1nsc(-c2ccccc2)n1 2889440 VAVUVAMIEXMICP-UHFFFAOYSA-N 295.367 3.766 0 40 CHAB O=C(CCc1nc2ccccc2s1)Nc1ccccc1 3260128 UIGHKPSNBLFKQW-UHFFFAOYSA-N 282.368 3.868 0 40 CHAB O=C(CSc1ccccc1)N[C@@H]1CCCc2ccccc21 3604002 NKLGKIKLWSKFER-QGZVFWFLSA-N 297.423 3.973 0 40 CHAB NC1(c2ccccc2)c2ccccc2-c2ccccc21 4777892 BAFVNIPRLVNQKZ-UHFFFAOYSA-N 257.336 3.918 0 40 CHAB Cc1ccc(-c2oc(-c3ccccc3O)[n+]([O-])c2C)cc1 5546385 FNZVXJWBRQVBIZ-UHFFFAOYSA-N 281.311 3.569 0 40 CHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1C[C@H](C)C[C@@H](C)C1 5557332 BMYNOEXNAKSRKS-MCIONIFRSA-N 284.403 3.717 0 40 CHAB O=C(COc1cc(Cl)ccc1Cl)c1ccc[nH]1 6835002 YDZIKNLLQUIHIL-UHFFFAOYSA-N 270.115 3.583 0 40 CHAB O=C1NC(=O)/C(=C\c2ccc(-c3ccccc3)cc2)S1 7154764 RHRLYVRWKISPMD-GXDHUFHOSA-N 281.336 3.678 0 40 CHAB CC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 7399729 IPCDVSCDYFZKET-UHFFFAOYSA-N 293.366 3.559 0 40 CHAB COc1ccc(CNC(=O)/C=C/Sc2ccccc2)cc1 7949987 UNFKYDVYQJHWQW-VAWYXSNFSA-N 299.395 3.617 0 40 CHAB O=C(Nc1cccc(Cl)c1F)C1CCCCC1 8015011 UJTYCZBRCJSJHM-UHFFFAOYSA-N 255.720 3.998 0 40 CHAB Cc1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 8208309 ZIVFZXYRVLTLHG-UHFFFAOYSA-N 260.362 3.713 0 40 CHAB COc1cccc(CSc2nnc(NC(C)C)s2)c1 9921748 JVTLCAOTJHJZJX-UHFFFAOYSA-N 295.433 3.659 0 40 CHAB c1ccc(CNCCc2csc3c2CCCC3)cc1 12376482 XEUXLXKBEYCJHW-UHFFFAOYSA-N 271.429 3.959 0 40 CHAB Fc1ccccc1-c1cc([C@H]2CCCCCN2)on1 13566801 KBRWJJFDVOZCAC-CYBMUJFWSA-N 260.312 3.685 0 40 CHAB OC12C[C@H]3C[C@@H](C1)CC(NCc1ccccc1Cl)(C3)C2 13728971 CYZNIZROQNXYQL-ZPVISIIKSA-N 291.822 3.513 0 40 CHAB Cc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1O 19838316 XFUYHLCCMZNJCI-UHFFFAOYSA-N 281.355 3.832 0 40 CHAB CC(C)n1c(=N)n(CCOc2ccccc2)c2ccccc21 19900367 SGTXLCGRAAXWAS-UHFFFAOYSA-N 295.386 3.582 0 40 CHAB FC(F)Oc1ccccc1CNCc1ccsc1 20131594 DCCHVCCUYWYVLB-UHFFFAOYSA-N 269.316 3.639 0 40 CHAB C[C@H]1CC=CC[C@@H]1COCc1cccc(C(=O)O)c1 20519070 XXFBBSJHZMRSHZ-SWLSCSKDSA-N 260.333 3.504 0 40 CHAB in-vitro CN(Cc1ccc2ccccc2c1)Cc1nc(C2CC2)no1 29426095 KCWYWIFNFVIGNW-UHFFFAOYSA-N 293.370 3.732 0 40 CHAB Cc1cccc(NC(=O)N(C)Cc2nc3ccccc3[nH]2)c1 30529150 UIGVWRRWLZLTGN-UHFFFAOYSA-N 294.358 3.535 0 40 CHAB Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@@H](C)C1 32772241 GNIROSBDNVMHDW-SNVBAGLBSA-N 290.388 3.584 0 40 CHAB CC(C)(CNC(=O)CCc1cccc(F)c1)c1ccccc1 32817288 YKXSERRTRKXYQB-UHFFFAOYSA-N 299.389 3.852 0 40 CHAB O=C(O)[C@H]1CCCN1Cc1cccc(Oc2ccccc2)c1 33429202 BXXBAUSDIQDPBH-QGZVFWFLSA-N 297.354 3.528 0 40 CHAB COc1ccc(Br)c(C(C)C)c1OC 34268366 YZOHSCYWLIGWAR-UHFFFAOYSA-N 259.143 3.590 0 40 CHAB Cc1ccc(C)c(C(=O)NC[C@@H](C)N(C)c2ccccc2)c1 36390693 DJTQUNQIMAJPIL-MRXNPFEDSA-N 296.414 3.558 0 40 CHAB Cc1n[nH]cc1CN[C@H](C)c1ccccc1C(F)(F)F 38011115 PHOWRRKAQZYGHH-SNVBAGLBSA-N 283.297 3.588 0 40 CHAB COc1ccc(-c2nn3c(Cl)cc(C)nc3c2C)cc1 40216822 PJJJYSGWJHPDCP-UHFFFAOYSA-N 287.750 3.675 0 40 CHAB Cc1ccc([C@@H](O)c2ccc(Cl)c(Cl)c2)o1 40260312 FVOQKQKNSCRJBZ-LBPRGKRZSA-N 257.116 3.977 0 40 CHAB O=C(O)c1ccc(-c2ccc(OCC3CC3)cc2)s1 40449451 HJBMBXQWLLEQEV-UHFFFAOYSA-N 274.341 3.902 0 40 CHAB CCc1ccc(OCCC2CCNCC2)c(Cl)c1 42770878 PSJCTRTUGRRDFI-UHFFFAOYSA-N 267.800 3.671 0 40 CHAB CCCc1ccc(OCC[C@H]2CCCCN2)c(OC)c1 42773769 PUIGAPSCHUEHLX-OAHLLOKOSA-N 277.408 3.559 0 40 CHAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccccc1 44900523 ZEXQBHKFZIJDPK-OAHLLOKOSA-N 297.398 3.894 0 40 CHAB COc1ccc(-c2nc3ccc(C)cc3s2)cc1N 45923381 ZVQGEMFRNAQOPY-UHFFFAOYSA-N 270.357 3.863 0 40 CHAB Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)nc1 48696945 ZBMWYRQZONOBFE-QWRGUYRKSA-N 286.297 3.697 0 40 CHAB Cc1ccc(NC(=O)c2cccc3ncccc23)c(O)c1 60206083 OSHCBEVPOPIISH-UHFFFAOYSA-N 278.311 3.501 0 40 CHAB CC(C)(C)c1nc2ccc(NC(=O)c3ccncc3)cc2[nH]1 71281985 HBKRXZWWUQRYPY-UHFFFAOYSA-N 294.358 3.508 0 40 CHAB O=c1ccn(Cc2ccc(Cl)s2)c2ccsc12 71922097 DFFQCVDYXBITFA-UHFFFAOYSA-N 281.789 3.826 0 40 CHAB CCOC(=O)c1cn[nH]c1-c1ccc(Cl)cc1Cl 71980827 SMVGIUZLAZMPRP-UHFFFAOYSA-N 285.130 3.560 0 40 CHAB O=C(Nc1nc(S)oc1-c1ccccc1)c1ccccc1 72238672 UUPOLPDCQMXRQV-UHFFFAOYSA-N 296.351 3.883 0 40 CHAB CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc2ccccc2c1 78480262 HHXRFUMFLVTJMJ-SFHVURJKSA-N 298.430 3.546 0 40 CHAB Cc1cncc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 79321925 CTSRQNBMUPWTOX-LBPRGKRZSA-N 280.327 3.627 0 40 CHAB CCN(CC)Cc1ccc(C)c(Br)c1 90413895 GLUUWOBXGFSOMS-UHFFFAOYSA-N 256.187 3.599 0 40 CHAB CC[C@@H]1CC[C@H](C)N1c1cc(C)nc(-c2ccccn2)n1 95458737 UDUOVCPNBQBLPJ-UONOGXRCSA-N 282.391 3.614 0 40 CHAB O[C@@H](c1ccc(F)cc1Br)C1CCCC1 95731368 VXUSTIYBIMHXFR-GFCCVEGCSA-N 273.145 3.812 0 40 CHAB O=C(c1cc(F)cc(Cl)c1)c1ccccc1F 95916193 WTMAMMLWLKOAQI-UHFFFAOYSA-N 252.647 3.849 0 40 CHAB CCc1ccc([C@H](C)NCc2cc(C(C)C)no2)o1 97228381 YGKIHSFTLUJUBW-NSHDSACASA-N 262.353 3.804 0 40 CHAB COC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1 165810982 OSMUYMOZFWEMFG-SOFGYWHQSA-N 262.692 3.786 0 40 CHAB CC(C)c1nc(CO[C@@H]2CCCc3c[nH]nc32)cs1 188923113 GYEKVRLILDGFBO-GFCCVEGCSA-N 277.393 3.584 0 40 CHAB Cc1ccc(COc2cc(O)c(C(=O)O)cc2Cl)cc1 216933758 XZSBRMSIXUQQIH-UHFFFAOYSA-N 292.718 3.631 0 40 CHAB CC(C)Oc1ccccc1C(=O)N(C)Cc1ccccc1 219730515 HLDPNPOTMOCCNZ-UHFFFAOYSA-N 283.371 3.746 0 40 CHAB COC(=O)C(C)(C)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223206693 TVMHMTRGGFMRFY-NSHDSACASA-N 293.382 3.870 0 40 CHAB Cc1nc(NC(=S)NC(C)(C)C)c(Cl)cc1Cl 223880438 NGSRVZLHNJAYOW-UHFFFAOYSA-N 292.235 3.782 0 40 CHAB CN(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1F 224891913 FIYOEBWDWHCNDG-UHFFFAOYSA-N 291.753 3.680 0 40 CHAB CCc1ccc(N(CC)S(=O)(=O)c2cccs2)cc1 225128861 JBJMNHYRJAIMQW-UHFFFAOYSA-N 295.429 3.526 0 40 CHAB CCCCCNC(=S)Nc1cccc(OCC)c1 225378483 MBOGJTDLSMQBPB-UHFFFAOYSA-N 266.410 3.562 0 40 CHAB Fc1cc(CN2CCC[C@@H]2c2cnccn2)ccc1Cl 257259071 KWSUKRYUFPZBPK-OAHLLOKOSA-N 291.757 3.606 0 40 CHAB Cc1cccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)c1 257277014 NWCMTFAXGQVXPN-SRQBIAJPSA-N 274.404 3.868 0 40 CHAB CC[C@H](Cl)C(=O)c1c(F)cc(Br)cc1F 379987803 WBPFSOQRPJQBLV-LURJTMIESA-N 297.526 3.927 0 40 CHAB Cc1cc(N(C(C)C)C(C)C)nc2c(O)cccc12 685938210 LRXXOOGJVNLWBH-UHFFFAOYSA-N 258.365 3.872 0 40 CHAB