smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 165316 KDVKTINBVJXADZ-UHFFFAOYSA-N 318.380 4.394 0 30 DIAC Cc1cc(C)cc(N=Cc2c(C(F)(F)F)nn(C)c2Cl)c1 254843330 MEIBZRJZTGAQTP-UHFFFAOYSA-N 315.726 4.460 0 30 DIAC CNCCSC1=Cc2ccccc2Oc2ccc(F)cc21 4216304 LEBFQNREPOQDII-UHFFFAOYSA-N 301.386 4.382 0 30 DIAC in-man Cc1nc(-c2ccccn2)nc(N(C)c2ccccc2)c1Cl 108777 ZLNNCFBWKFOHGP-UHFFFAOYSA-N 310.788 4.268 0 30 DIAC COc1ccc2c(c1)C=C([N+](=O)[O-])[C@@H](c1ccccc1Cl)O2 2001761 VPJVBBAMWDOBIZ-MRXNPFEDSA-N 317.728 4.100 0 30 DIAC CC1(C)CCc2cc(-c3coc4cc(O)ccc4c3=O)ccc2O1 102455700 XYQGRDVFZGPOQG-UHFFFAOYSA-N 322.360 4.269 0 30 DIAC biogenic CC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@@]21C 17322960 GUBNWXDDDXQJOQ-PHBLJLLGSA-N 306.490 4.141 0 30 DIAC CC(C)(C)n1c(-c2ccccc2)csc1=NCc1ccncc1 254590066 HVYSXVMZOFOGLT-UHFFFAOYSA-N 323.465 4.468 0 30 DIAC CCCCCC[C@H](C)O[S@](=O)(=S)c1ccc(C)cc1 90434240 WCVKHTFTNOORGH-LIRRHRJNSA-N 300.489 4.391 0 30 DIAC CCc1ccccc1[C@@](CC)(OP(=O)(O)O)c1ccccc1 83407011 HTRGPNLTINRHAR-KRWDZBQOSA-N 320.325 4.012 0 30 DIAC in-vitro CC(C)(C)OC(=O)n1cc(Br)c2cc(F)ccc21 147095389 KNJAOVKFMVMDDF-UHFFFAOYSA-N 314.154 4.326 0 30 DIAC O=C(Nc1ccc(F)cc1F)c1cc(Cl)cc(Cl)c1O 139849 FPEMTYJQLMEJHY-UHFFFAOYSA-N 318.106 4.230 0 30 DIAC CC(C)(C)c1cc(/C=C2\SCNC2=O)cc(C(C)(C)C)c1O 3980 BUDGLLLMROWLOB-ZROIWOOFSA-N 319.470 4.149 0 30 DIAC CC(C)CCCCCCCCCCOCCCNCCCN 5758151 YZGGABQGIYPLRM-UHFFFAOYSA-N 314.558 4.498 0 30 DIAC O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(F)ccc1O 6525217 SLPPGNPYKYJOHD-UHFFFAOYSA-N 300.116 4.090 0 30 DIAC Cc1ccccc1NC(=O)NCc1ccccc1C(F)(F)F 171048 NNPHXJAFSZRQFP-UHFFFAOYSA-N 308.303 4.336 0 30 DIAC C[C@H](N)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 44712431 BQUZWOTWZGCUID-RXRZZTMXSA-N 313.485 4.258 0 30 DIAC O=C(Nc1nnc(C2CC2)s1)Nc1cccc2ccccc12 155070 OQLCCTQKZSZKPT-UHFFFAOYSA-N 310.382 4.213 0 30 DIAC C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 253530753 WRWBCPJQPDHXTJ-JIWXIQHESA-N 304.474 4.061 0 30 DIAC biogenic O=C(Nc1cccc(C(=O)O)c1)Nc1cccc2ccccc12 147802 IDHDWBYBMVVKKE-UHFFFAOYSA-N 306.321 4.182 0 30 DIAC O=C(Nc1ccc(C2SCCS2)cc1)c1ccccc1 165994 COMQGLYKWLBFQB-UHFFFAOYSA-N 301.436 4.418 0 30 DIAC CCN(CC)CCC(=O)N1c2ccccc2CCc2ccccc21 3632643 RWWJDQTVNWRYOA-UHFFFAOYSA-N 322.452 4.182 0 30 DIAC Fc1ccc(-c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 105585 ODXUAOFJOWLDPH-UHFFFAOYSA-N 313.353 4.387 0 30 DIAC Nc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)cs1 132671 JYHCNAYAXGAKQT-UHFFFAOYSA-N 300.358 4.110 0 30 DIAC Oc1cc(Br)ccc1-c1nc2ccccc2s1 44491384 NCUJNZPUOAJMOR-UHFFFAOYSA-N 306.184 4.431 0 30 DIAC Oc1cc(C(F)(F)F)nc(Cc2c(Cl)cccc2Cl)n1 13469335 MAYFOHZKAGMXKW-UHFFFAOYSA-N 323.101 4.099 0 30 DIAC CN1CC[C@@H]2[C@H](C1)c1cc(Cl)ccc1N2Cc1ccccc1 536555935 CSLZACPQIWUACW-IEBWSBKVSA-N 312.844 4.148 0 30 DIAC Cc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 121570 OWVDJTIMJFVECX-UHFFFAOYSA-N 311.328 4.384 0 30 DIAC CCCN(CCc1ccsc1)[C@H]1CCc2c(O)cccc2C1 5833419 RHRKSVACMIQFDY-KRWDZBQOSA-N 315.482 4.266 0 30 DIAC CSc1ccc(C(=O)[C@@H](O)c2ccc(SC)cc2)cc1 34079704 XWGRBLIDRXJFON-HNNXBMFYSA-N 304.436 4.047 0 30 DIAC CC(C)(C)c1ccc(NC(=O)NC2Cc3ccccc3C2)cc1 171380 GQVVYMCUNFBQIW-UHFFFAOYSA-N 308.425 4.273 0 30 DIAC CN(CCc1ccccn1)C(=O)Nc1cc(Cl)cc(Cl)c1 155723 LQLCFCNFQUQQGZ-UHFFFAOYSA-N 324.211 4.095 0 30 DIAC CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 105103814 QMCLGDBCODWMRX-ADXOPFBHSA-N 316.441 4.060 0 30 DIAC C[Si](C)(C)c1c(F)ccc(C(F)(F)F)c1Br 536948680 FFHHKFOQQMJKIL-UHFFFAOYSA-N 315.180 4.152 0 30 DIAC O=C(C[C@H]1CCCC[C@@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 83328497 XQKZBVGBIMPIMD-YPMHNXCESA-N 314.303 4.169 0 30 DIAC CON(Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1 4290500 QEOSHHCSBSGYHP-UHFFFAOYSA-N 308.740 4.075 0 30 DIAC CN(C)C=Cc1onc(-c2c(Cl)cccc2Cl)c1C#N 83311193 LYUBWJKIVKVSPB-UHFFFAOYSA-N 308.168 4.052 0 30 DIAC CCOc1coc2c(Br)cnc(C(F)(F)F)c12 888084778 QVKAGLQEMIEAFA-UHFFFAOYSA-N 310.069 4.008 0 30 DIAC Cc1ccc(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 137397 FZBWCXWLNAVJFA-UHFFFAOYSA-N 302.439 4.370 0 30 DIAC Cc1csc2nc(-c3cc(Cl)ccc3Cl)c(C=O)n12 40439285 JHCVFWUTRINFOW-UHFFFAOYSA-N 311.193 4.491 0 30 DIAC COc1ccc2cc(O)c(C(=O)Nc3ccccc3C)cc2c1 5782924 ISYIACJPZHHKAB-UHFFFAOYSA-N 307.349 4.115 0 30 DIAC CC[C@@]1(COCc2c(Cl)cccc2Cl)COC(C)(C)O1 5954919 QWSVVDWRIYGYPD-OAHLLOKOSA-N 319.228 4.442 0 30 DIAC Cc1ccc([S@@](C)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1 100218614 CGPUFKAXOCVLLX-OAQYLSRUSA-N 322.817 4.337 0 30 DIAC CCCCCC[C@H](O)C[C@H]1O[C@H]1CCCCCCCC(=O)O 33986118 YKVUWOJSBYPADP-YESZJQIVSA-N 314.466 4.291 0 30 DIAC CCCCOC(=O)C(Cl)(Cl)C(Cl)=C(Cl)Cl 5821363 JZJILZTVTMMGAR-UHFFFAOYSA-N 314.423 4.389 0 30 DIAC FC(F)(F)c1cc(-c2cccs2)nc2cc(C3CC3)nn12 165706 MJPGTECZAKLNQG-UHFFFAOYSA-N 309.316 4.354 0 30 DIAC Cc1ccc(NC(=O)C=Cc2ccccc2)c2c1CC(C)(C)O2 2265279640 LHEZLVXDDXVIET-UHFFFAOYSA-N 307.393 4.360 0 30 DIAC c1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1 66559 CBJBZIZSNJVHIQ-UHFFFAOYSA-N 318.405 4.365 0 30 DIAC O=C(c1ccccc1)C(F)(F)C(F)(F)N(F)c1ccccc1 223480028 TYLLUZWWDOIMDT-UHFFFAOYSA-N 315.241 4.489 0 30 DIAC Clc1ccc(OCc2noc(-c3ccoc3)n2)c(Cl)c1 3149281 KRAOOYCKLRUXRZ-UHFFFAOYSA-N 311.124 4.215 0 30 DIAC Fc1ccc(-c2n[nH]cc2C=NNc2ccc(Cl)cc2)cc1 254849283 OCLOICWKRLPGNF-UHFFFAOYSA-N 314.751 4.315 0 30 DIAC S=C(NCc1ccco1)Nc1cccc(Cl)c1Cl 71658 FFJZJGQTTHKUOO-UHFFFAOYSA-N 301.198 4.073 0 30 DIAC COc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2Cl)c1 2032671 UVMONHIAFZUDFT-UHFFFAOYSA-N 311.164 4.296 0 30 DIAC Cc1noc(C)c1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 112222 IDVOXDWAVBIHTP-UHFFFAOYSA-N 309.247 4.027 0 30 DIAC CC(=O)c1ccccc1OC(=O)c1cc(Cl)cc(Cl)c1 140721 ZTCALBNFIGBNBI-UHFFFAOYSA-N 309.148 4.415 0 30 DIAC Cc1ccc(C2(c3ccc(C)cc3)OC(=O)N[C@H]2C(C)C)cc1 96330667 CPFFOFLRPBYLSN-SFHVURJKSA-N 309.409 4.311 0 30 DIAC COc1ccc(Nn2c(-c3ccccc3)c(C)[nH]c2=S)cc1 34540849 QWNBNQRJCWTKPF-UHFFFAOYSA-N 311.410 4.405 0 30 DIAC C[C@@H](Oc1ccccc1-c1ccccc1)c1n[nH]c(=S)n1C 163585 RGVMTGIPWBIZHT-GFCCVEGCSA-N 311.410 4.285 0 30 DIAC O[C@@H](c1ccc(Br)cc1)C1(c2ccccc2)CC1 61618415 AOZQKHGORLDUNY-HNNXBMFYSA-N 303.199 4.214 0 30 DIAC Clc1ccc2c(Br)ccnc2c1Br 236046790 QPNLGHCSLJAYMS-UHFFFAOYSA-N 321.399 4.413 0 30 DIAC CCCc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1 82122 IDZCUCNCGJTPLO-UHFFFAOYSA-N 323.371 4.216 0 30 DIAC Cc1noc(C)c1-c1nc(CSc2ccc(Cl)cc2)no1 106287 QVYMHIWFLMOMDP-UHFFFAOYSA-N 321.789 4.287 0 30 DIAC CCCCCC[C@H](C)NCC(C)(C)OC(=O)c1ccc(N)cc1 1710536 XLLDVDLJZBMTND-HNNXBMFYSA-N 320.477 4.153 0 30 DIAC CCC1(OC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 2265357462 WDKWRJUAIFFOII-QGPUZLIDSA-N 300.442 4.347 0 30 DIAC CN1[C@H]2CC[C@@H]1C[C@H](O[C@H](c1ccccc1)c1ccccc1N)C2 100834169 KZFDKINRISJFCO-OEMYIYORSA-N 322.452 4.000 0 30 DIAC COc1ccc2[nH]cc(C=C3C(=O)Nc4cccc(Cl)c43)c2c1 83294395 XVUXXBUDHZACRU-UHFFFAOYSA-N 324.767 4.323 0 30 DIAC C/C=C(\C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 68196 QCIDTJYPRLKAJP-KGVSQERTSA-N 313.784 4.476 0 30 DIAC CCC(=O)c1cc(C)c(OCCCC(C)(C)C(=O)O)cc1C 642881605 OIBREGQJSDDOCP-UHFFFAOYSA-N 306.402 4.166 0 30 DIAC O=C1Nc2ccccc2SC1=CNc1ccccc1Cl 2265279176 AJMWBLORADWGCJ-UHFFFAOYSA-N 302.786 4.338 0 30 DIAC C[C@H](Sc1c(-c2ccccc2)[nH]c2ccccc12)c1nn[nH]n1 5735480 BQCWYQWISABPQK-NSHDSACASA-N 321.409 4.201 0 30 DIAC O=C(Oc1cccc(OCc2ccccc2)c1)c1ccccc1 38304503 YUDYCOFGRDGKDZ-UHFFFAOYSA-N 304.345 4.485 0 30 DIAC O=C1C[C@@H](c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 68986 ZQXURZCNHXOOIY-AWEZNQCLSA-N 320.175 4.041 0 30 DIAC O=C(c1ccccc1)C(F)(F)C(F)(F)C(=O)c1ccccc1 43464427 JMFCEKRSCNGTRY-UHFFFAOYSA-N 310.246 4.023 0 30 DIAC O=C(Nc1ccc(F)cc1)Nc1ccccc1N1CCCCC1 84459826 QPSXIEBPZQMHPJ-UHFFFAOYSA-N 313.376 4.460 0 30 DIAC O=C(Oc1ccc(Cl)cc1)c1snnc1-c1ccccc1 139046 ZYGKKGNWAQPNGC-UHFFFAOYSA-N 316.769 4.078 0 30 DIAC CN1CCC(=C2c3ccccc3C(=O)Cc3sccc32)CC1 77312124 VKHZVYSAANYDBM-UHFFFAOYSA-N 309.434 4.014 0 30 DIAC in-vitro O=C(NC=Cc1ccccc1Cl)NCc1ccc(Cl)cc1 1388891 MEXNBNHGPGJNGI-UHFFFAOYSA-N 321.207 4.464 0 30 DIAC CCCCCC[C@@H](C)O[S@](=O)(=S)c1ccc(C)cc1 90434239 WCVKHTFTNOORGH-KUHUBIRLSA-N 300.489 4.391 0 30 DIAC CCCCN(CCCC)CCCSC(=O)c1ccc(N)cc1 223583328 IRYSTEATAZHOHW-UHFFFAOYSA-N 322.518 4.435 0 30 DIAC C[C@@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13759926 FLEBIYNUTZNISZ-NFJVIFTASA-N 317.517 4.274 0 30 DIAC biogenic C[C@H](N)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34598186 FLEBIYNUTZNISZ-LIGMFPKHSA-N 317.517 4.274 0 30 DIAC Cc1cc(C(C)(C)C)ccc1NC(=O)CC(C)(C)CC(=O)O 146060 GJSLORRMXWNNDG-UHFFFAOYSA-N 305.418 4.122 0 30 DIAC CCC(CC)C(=O)N(CCCN(C)C)c1c(C)cccc1C 2035335 PYKPLWGKLSNAKE-UHFFFAOYSA-N 304.478 4.024 0 30 DIAC CCOC(=O)Cn1c(C=Cc2ccc(C)cc2)nc2ccccc21 2265276859 AWOLVKCBGKERNC-UHFFFAOYSA-N 320.392 4.078 0 30 DIAC O=C(NCCSCc1ccc(Cl)cc1)c1cccs1 4390594 FEILJKJZVYRZQM-UHFFFAOYSA-N 311.859 4.065 0 30 DIAC Clc1ccc(C=NNc2ncnc3ccccc23)c(Cl)c1 254757380 MQHPTIUCLZYUKA-UHFFFAOYSA-N 317.179 4.383 0 30 DIAC COc1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1 40964282 BPVRFORNLCQBQW-UHFFFAOYSA-N 310.378 4.233 0 30 DIAC Cc1ccc(Br)c2nc(Br)sc12 238534886 VWUZTWXIWFBQMT-UHFFFAOYSA-N 307.010 4.130 0 30 DIAC CC(C)(C)OC(=O)n1ccc2c(F)cc(Br)cc21 238730486 CDCJDJBLCWPCDC-UHFFFAOYSA-N 314.154 4.326 0 30 DIAC COc1ccc(-c2csc(-c3ccc4c(c3)OCO4)n2)cc1 147047 XUGKLIGSWFZVFH-UHFFFAOYSA-N 311.362 4.214 0 30 DIAC COC(=O)c1ccc(Oc2ccc(C3SCCS3)cc2)o1 158510 KVXOHQUWJXYQEV-UHFFFAOYSA-N 322.407 4.337 0 30 DIAC Cc1nc(-c2cccnc2)nc(NCc2ccccc2)c1Cl 74769 IMCQHMXFPWWXDL-UHFFFAOYSA-N 310.788 4.113 0 30 DIAC O=C(Nc1cc2ccccc2s1)NC1Cc2ccccc2C1 147579 IMEGKJGAVZMBHS-UHFFFAOYSA-N 308.406 4.190 0 30 DIAC CCN(CC)[C@@H](C(=O)Oc1c(C)cccc1C)c1ccccc1 95787569 FYAILJKBSWZMNQ-GOSISDBHSA-N 311.425 4.292 0 30 DIAC Cc1c(O)c(C)c2sc(NC(=O)C3CCCCC3)nc2c1C 96346725 UGTLFRRPQFSORT-UHFFFAOYSA-N 318.442 4.446 0 30 DIAC CCn1c(-c2cccc3ccccc23)nc(Cl)c1C(=O)O 202400099 BCHBMNPGNWLIEU-UHFFFAOYSA-N 300.745 4.075 0 30 DIAC CC(C)(C)OC(=O)NCc1cccc(Br)c1Cl 238176920 LMFTZIRFDUPXDR-UHFFFAOYSA-N 320.614 4.127 0 30 DIAC CCOC(=O)C=C1C=CC=CN1Cc1ccc(C(F)(F)F)cc1 8655642 NLOMSVHBVJLOCR-UHFFFAOYSA-N 323.314 4.038 0 30 DIAC O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](Cn2cccc2)C1 141423 ZSZUDTSYRLMGNJ-AWEZNQCLSA-N 317.820 4.086 0 30 DIAC FC(F)(F)c1cc(Br)c(Br)s1 950757583 XGRFPAMLMDTGJK-UHFFFAOYSA-N 309.932 4.292 0 30 DIAC CN(C(=O)c1ccc(Br)c(Cl)c1)c1ccccc1 121712761 QHDDGQXDXSAUDY-UHFFFAOYSA-N 324.605 4.379 0 30 DIAC O=C(Nc1c(F)cc(F)cc1Br)c1cccs1 166571 IKMVVIAGRRCPBV-UHFFFAOYSA-N 318.142 4.041 0 30 DIAC Cc1ccc([S@](C)(=O)=NC(=O)c2cc3ccccc3o2)cc1 13466292 IYVWMODENCCLSY-QFIPXVFZSA-N 313.378 4.038 0 30 DIAC S=C(Nc1cccc(Cl)c1)N1CCCc2ccccc21 67428 PUWRKEPBNZQYFG-UHFFFAOYSA-N 302.830 4.490 0 30 DIAC CCN(C(=O)c1cnccc1C(F)(F)F)c1cccc(C)c1C 77766 YUYDNGGGHUGBTQ-UHFFFAOYSA-N 322.330 4.384 0 30 DIAC CC(=O)c1c(C)nc(-c2ccc(Cl)cc2Cl)nc1S 124191 WIQRWEIKKKQGBG-UHFFFAOYSA-N 313.209 4.250 0 30 DIAC O=C(O[C@@H]1CCCCc2cccnc21)c1ccc(Cl)cc1 172555 CEUKOSAGSSSYKZ-OAHLLOKOSA-N 301.773 4.360 0 30 DIAC CC[C@H](O)c1cc(C)c(OCCCC(C)(C)C(=O)O)cc1C 642881699 ZKJRQVLXMARPAM-HNNXBMFYSA-N 308.418 4.017 0 30 DIAC O=c1oc(-c2ccc(Cl)cc2Cl)nc2cccc(F)c12 35606082 XJCJDSLNPPTAGG-UHFFFAOYSA-N 310.111 4.301 0 30 DIAC CC(=NOC(=O)CC(C)C)c1cc(-c2ccc(Cl)cc2)no1 254818097 CNTLQORAUXGBKE-UHFFFAOYSA-N 320.776 4.308 0 30 DIAC CC(C)Cc1ccc(C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 103875 UKEYLPPMLGZPLC-LJQANCHMSA-N 308.377 4.370 0 30 DIAC Cc1nc(C(F)(F)F)ccc1C(=O)Sc1ccc(F)cc1 66400 AHSNBTVWIHTZJG-UHFFFAOYSA-N 315.291 4.480 0 30 DIAC CCN(C(=O)c1ccc2c(c1)CCO2)c1cccc2ccccc12 155635 OFRGABZZIUHIAG-UHFFFAOYSA-N 317.388 4.441 0 30 DIAC COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(C)=O)cc1 88692 CHWZWLLLOJMRNQ-FQEVSTJZSA-N 322.408 4.010 0 30 DIAC c1cncc(-c2ccc(-c3ccc(-c4cccnc4)nc3)cn2)c1 15446271 GAJSOGAOUHYYQT-UHFFFAOYSA-N 310.360 4.268 0 30 DIAC CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 96304797 LXFPPOVFYFUAIY-UHFFFAOYSA-N 323.820 4.170 0 30 DIAC C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C(=O)O)CC[C@H]12 15429 YQACAXHKQZCEOI-FPMBYBGASA-N 316.441 4.219 0 30 DIAC c1ccc(C2N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1 21983346 VJWNWMOGJOGCRF-WOJBJXKFSA-N 300.405 4.361 0 30 DIAC Cc1ccc(Br)cc1N(C)C(=O)OC(C)(C)C 222214384 SAMYLOMTXFDYHB-UHFFFAOYSA-N 300.196 4.129 0 30 DIAC CC(=O)OCC(COC(C)=O)=C1CC[C@@]2(C)CCCC(C)=C2C1 15206413 RGGYMCUNYFNGLD-LJQANCHMSA-N 320.429 4.100 0 30 DIAC biogenic Cc1cccc(Cl)c1NC(=O)CCN1CCC[C@H]2CCC[C@@H]21 2034 ICLIXBRUSBYXEV-ZBFHGGJFSA-N 320.864 4.242 0 30 DIAC in-man O=C(OCCCCCOc1ccc(Cl)cc1)c1ccco1 3045703 MTEOYHGZCVTMQC-UHFFFAOYSA-N 308.761 4.339 0 30 DIAC O=C(O)c1ccc(Cl)cc1-c1cc(Cl)ccc1C(=O)O 96327986 YSILFGANTSUQDT-UHFFFAOYSA-N 311.120 4.057 0 30 DIAC CN(C)C(=O)Nc1ccc(SC(F)(F)Cl)c(Cl)c1 2010192 YFEUKKUPOVGUIW-UHFFFAOYSA-N 315.172 4.315 0 30 DIAC Clc1ccc(CSc2nnc(-n3cccc3)s2)cc1 129129 RMKQQTAJWQGMAD-UHFFFAOYSA-N 307.831 4.275 0 30 DIAC CN(C)c1cc(-c2ccc(Cl)cc2Cl)oc(=O)c1Cl 142404 QYYYBVBBCSVOOM-UHFFFAOYSA-N 318.587 4.333 0 30 DIAC COc1cc(Br)cc(C=Nc2cccc(C)c2)c1O 254749554 UDLMJPYQRBKCKA-UHFFFAOYSA-N 320.186 4.222 0 30 DIAC Clc1ncc(Br)c2cc(Br)ccc12 96854356 JCOMHSSFYXTEAR-UHFFFAOYSA-N 321.399 4.413 0 30 DIAC O=C1CS[C@H](c2cc3ccccc3o2)N1c1ccc(F)cc1 102563 CRTOVTIUNCRWLE-QGZVFWFLSA-N 313.353 4.351 0 30 DIAC O=C(Nc1cccnc1Sc1ccc(Cl)cc1)C1CC1 84132 PAPMDQFHWAVKDW-UHFFFAOYSA-N 304.802 4.235 0 30 DIAC Cc1onc(-c2ccccc2)c1-c1csc(-c2ccno2)n1 4390759 RVFNUFXPDHIGFI-UHFFFAOYSA-N 309.350 4.429 0 30 DIAC CC(C)(C)OC(=O)n1ccc(-c2cccc(Br)c2)n1 605705333 NIVVXKSJIBLATA-UHFFFAOYSA-N 323.190 4.096 0 30 DIAC COP(OC[C@H]1C[C@H]2C=C[C@H]1C2)OC[C@H]1C[C@H]2C=C[C@H]1C2 256257370 GRHMZHVDKFWUNS-NQLMQOPMSA-N 308.358 4.317 0 30 DIAC O=C(c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 33609612 XUMDUKMAADXRGL-UHFFFAOYSA-N 300.663 4.470 0 30 DIAC Fc1cccc(F)c1[C@@H](NCc1ccccc1)C(F)(F)F 95347661 FKPQJKKMTPXEIG-CQSZACIVSA-N 301.258 4.358 0 30 DIAC CC(=O)N[C@@H]1C[C@@H](C2CCCCC2)O[C@@H](C2CCCCC2)C1 255998806 RDROZMXLWOJMJZ-REPLKXPHSA-N 307.478 4.199 0 30 DIAC O=C1OC(=CNc2ccc(C(F)(F)F)cc2)c2ccccc21 2265279468 LGZNJXYBMVJCGL-UHFFFAOYSA-N 305.255 4.286 0 30 DIAC CCC[C@@]1(c2cccc(O)c2)CCN(CCc2ccccc2)C1 3634745 IAUGXDGCSZMJIE-OAQYLSRUSA-N 309.453 4.379 0 30 DIAC O=C(O)CSc1c2ccccc2nc2ccc(Cl)cc12 5422174 KAMIHUYLAJEIII-UHFFFAOYSA-N 303.770 4.218 0 30 DIAC CCCCN[C@H](C)C(=O)N(CCCC)c1c(C)cccc1C 33875165 FRTNLSMKXBYECR-QGZVFWFLSA-N 304.478 4.215 0 30 DIAC O=C1CC(c2ccccc2)CC(=O)N1c1cccc2c1CCCC2 4371537 XLJQSZMRSBDMIK-UHFFFAOYSA-N 319.404 4.003 0 30 DIAC Clc1ccc(-c2nnc3c4ccccc4c(Cl)nn23)cc1 72232942 FNNYRUZJLQKSQZ-UHFFFAOYSA-N 315.163 4.251 0 30 DIAC CCOC(=O)c1sc(-c2cccc(-n3cccc3)c2)nc1C 118686 HWAFDFKIQTZYBE-UHFFFAOYSA-N 312.394 4.086 0 30 DIAC O=C1Nc2ccccc2C1=Cc1sccc1Br 2265239477 ZGCKMTQNGWQKEN-UHFFFAOYSA-N 306.184 4.003 0 30 DIAC Cn1c(SCc2ccccc2)nc2cc(C(F)(F)F)cnc21 123213 DPVFVFJTYYWIDJ-UHFFFAOYSA-N 323.343 4.279 0 30 DIAC COc1ccc(C(=O)c2sc(Nc3ccccc3)nc2C)cc1 156388 IBSNKTURANLZTA-UHFFFAOYSA-N 324.405 4.435 0 30 DIAC O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](Cn2cccc2)C1 141420 ZSZUDTSYRLMGNJ-CQSZACIVSA-N 317.820 4.086 0 30 DIAC CC1(C)CC(=O)c2ccc(OCc3cccc(F)c3)cc2O1 84876 IORJBHOWDNYUEG-UHFFFAOYSA-N 300.329 4.149 0 30 DIAC Brc1ccc(-c2csc(-c3cnccn3)n2)cc1 112755 FIWIWZVYYWFTHG-UHFFFAOYSA-N 318.199 4.030 0 30 DIAC Clc1ccc(CSC2=NCCN2Cc2ccccc2)cc1 144317 AHGFVHMLFPXBDQ-UHFFFAOYSA-N 316.857 4.445 0 30 DIAC c1ccc2c(-c3nnc(-c4ccc5c(c4)OCO5)o3)cccc2c1 156652 ADVRHFNTKDFTSY-UHFFFAOYSA-N 316.316 4.286 0 30 DIAC CCCC[C@@]1(Cc2ccccc2)C(=O)Nc2ccccc2C1=O 3958065 IBWJDUSJMNJWNJ-FQEVSTJZSA-N 307.393 4.241 0 30 DIAC O=C(c1ccccc1)C(Nc1ccccc1)Nc1ccccc1 32224476 OZNZKCKECBFJRG-UHFFFAOYSA-N 302.377 4.420 0 30 DIAC Cc1ccc([S@@](C)(=O)=NC(=O)c2cc3ccccc3o2)cc1 100217144 IYVWMODENCCLSY-JOCHJYFZSA-N 313.378 4.038 0 30 DIAC O[C@@H](C=C(C(F)(F)F)C(F)(F)F)c1ccccc1Cl 1673687 IYTUIQQSBAZIIU-QMMMGPOBSA-N 304.617 4.424 0 30 DIAC Clc1ccc(-c2noc([C@H]3CCc4ccccc4O3)n2)cc1 82358 NLNRWCMVHOVJIE-OAHLLOKOSA-N 312.756 4.456 0 30 DIAC CC[C@H](C(=O)c1ccccc1)c1ccc(OCCN(C)C)cc1 1070005947 PQSYMGVUIBWLCV-IBGZPJMESA-N 311.425 4.004 0 30 DIAC Cc1nccc(-c2cccc(NC(=O)Nc3ccccc3)c2)n1 96466 QVFGIZUTWFOJQJ-UHFFFAOYSA-N 304.353 4.096 0 30 DIAC C[C@H](NCc1ccc(F)cc1)c1ccccc1Br 19943712 ANQDFBWVERZZIF-NSHDSACASA-N 308.194 4.439 0 30 DIAC CCCCCC[C@H](O)C[C@H]1O[C@@H]1CCCCCCCC(=O)O 146758053 YKVUWOJSBYPADP-GVDBMIGSSA-N 314.466 4.291 0 30 DIAC O=C1Nc2ccccc2C1=Cc1cc(Br)cs1 2265239475 ONXUHKXDKGXHFK-UHFFFAOYSA-N 306.184 4.003 0 30 DIAC O=C(Nc1ccccc1)O[C@@H](Cc1ccccc1)C(F)(F)F 109409 PXVKTDIVWPZIKC-AWEZNQCLSA-N 309.287 4.409 0 30 DIAC CC(C)C(=O)OCC(C)(C)[C@H](OC(=O)c1ccccc1)C(C)C 5761327 FFSJSGNXYKUSCQ-MRXNPFEDSA-N 320.429 4.093 0 30 DIAC COC(=O)CCc1[nH]c2ccc(OC)cc2c1SC(C)(C)C 263584634 XVNTUJVMOALEIY-UHFFFAOYSA-N 321.442 4.173 0 30 DIAC O=C(OCCCN1CCCC[C@@H]1c1ccccc1)c1ccccc1 33875332 BCBOPENIQICMQD-HXUWFJFHSA-N 323.436 4.461 0 30 DIAC O=C1CSc2ccc(C(F)(F)F)cc2N1Cc1ccccc1 170068 PGJBIUICTBVNPZ-UHFFFAOYSA-N 323.339 4.344 0 30 DIAC Cc1ccc(C=CC2=NN(Cc3ccccc3)C(=O)CC2)cc1 2265233881 WYUXWTLPWIMMLN-UHFFFAOYSA-N 304.393 4.187 0 30 DIAC COc1ccc(OCc2cc(F)ccc2Br)cc1 60801765 UGTZJBKBVCFJKD-UHFFFAOYSA-N 311.150 4.176 0 30 DIAC COc1ccc(Cn2nc(C(C)C)c3c(Cl)ccnc32)cc1 1554770649 VISTZDXBBLZRHA-UHFFFAOYSA-N 315.804 4.265 0 30 DIAC O=C(Nc1csc(Cc2ccsc2)n1)Oc1ccccc1 172353 HKGPOTCSRKAEPH-UHFFFAOYSA-N 316.407 4.406 0 30 DIAC Clc1nccc2c(Br)cc(Br)cc12 125291571 FIMHWWJRIFHIFF-UHFFFAOYSA-N 321.399 4.413 0 30 DIAC Cc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)cc1C 78855 LILGWFMBDPAOAC-UHFFFAOYSA-N 316.364 4.200 0 30 DIAC OCc1cccc2c(O)c(Oc3cccc4cccnc34)ccc12 6095036 WBDTXCLZEVWWFL-UHFFFAOYSA-N 317.344 4.378 0 30 DIAC CC(C)(C)OC(=O)NCc1cc(Cl)cc(Br)c1 306822436 NJDLMKSDZIIJFT-UHFFFAOYSA-N 320.614 4.127 0 30 DIAC CN1CC[C@@H]2[C@@H](C1)c1cc(Cl)ccc1N2Cc1ccccc1 536555938 CSLZACPQIWUACW-PKOBYXMFSA-N 312.844 4.148 0 30 DIAC O=c1ccoc(C=Cc2ccccc2)c1OCc1ccccc1 2265324115 GRNZXGRTBJGQGT-UHFFFAOYSA-N 304.345 4.389 0 30 DIAC COCCCn1c(C)csc1=Nc1c(C)cc(C)cc1C 334157463 NIYQVPHEQHDRNF-UHFFFAOYSA-N 304.459 4.052 0 30 DIAC COc1ccc(COc2ccccc2-c2ccccc2CO)cc1 2265356084 NMMDGICKLRPNRV-UHFFFAOYSA-N 320.388 4.434 0 30 DIAC Cc1ccc([C@H](C)OC(=O)[C@]2(C)CC[C@H](C(=O)O)C2(C)C)cc1 5781683 KRWZVKRKTWCYPR-OHNRDTAOSA-N 318.413 4.126 0 30 DIAC in-man COc1ccc(CSc2nc(Cl)cc(Cl)n2)cc1 39643915 ICXWJSQZOOPTJH-UHFFFAOYSA-N 301.198 4.084 0 30 DIAC Clc1ccc(-n2nnc(/C=C/C=C/c3ccccc3)n2)cc1 4370258 NQWRDROMEIVPGD-KBXRYBNXSA-N 308.772 4.042 0 30 DIAC COc1ccc([C@H]2C[C@H]2C(C)=NOC(=O)c2ccccc2)cc1 4013463 NFWHVKISQOCDPM-ZWKOTPCHSA-N 309.365 4.032 0 30 DIAC CCc1cccc(CC)c1NC(=O)c1cnccc1C(F)(F)F 4382951 KPBWHWCWCVEBCR-UHFFFAOYSA-N 322.330 4.478 0 30 DIAC C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27432710 QAAQQTDJEXMIMF-SKKJJBPISA-N 318.501 4.307 0 30 DIAC in-vitro O=C1CCC(C=Cc2ccccc2)=NN1Cc1ccc(F)cc1 2265276257 CTPQIFPCIQSZFH-UHFFFAOYSA-N 308.356 4.018 0 30 DIAC O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccnc1 146745 HUTGEFJXICYPKZ-UHFFFAOYSA-N 319.364 4.305 0 30 DIAC C[C@@H](N)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 44712432 BQUZWOTWZGCUID-SJOKZOANSA-N 313.485 4.258 0 30 DIAC CSc1cc(Br)cc(OC(F)F)c1Cl 575676641 OXGMAQFCWCOQOO-UHFFFAOYSA-N 303.555 4.426 0 30 DIAC O=C(Nc1ccc(Cl)cc1)c1ccc(-c2csnn2)cc1 107102 RYAYMHYAGRENID-UHFFFAOYSA-N 315.785 4.111 0 30 DIAC CC(C)(C)OC(=O)N[C@@H]1CC=C(c2c[nH]c3ncccc23)CC1 144242811 MHKDXNXKIOMDMX-CYBMUJFWSA-N 313.401 4.024 0 30 DIAC CCOC(=O)c1sc2sc(-c3cc[nH]n3)c(C)c2c1C 4555694 SVBMVPPCBMQTCL-UHFFFAOYSA-N 306.412 4.146 0 30 DIAC CSc1cccc(NC(=O)Nc2ccc3nsnc3c2)c1 12340908 FWGIBCSTYSGTOD-UHFFFAOYSA-N 316.411 4.057 0 30 DIAC Cc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)c(Cl)c1 33637448 BHCYFWQGBSVKLP-UHFFFAOYSA-N 303.793 4.358 0 30 DIAC O=C(NCc1sccc1Cl)Nc1cccc(Cl)c1 82299 IUYIXTDLVWARDA-UHFFFAOYSA-N 301.198 4.377 0 30 DIAC CCCC[Sn](CCCC)(OCC)OCC 196024981 ZNZBASDDVBURLC-UHFFFAOYSA-N 323.065 4.102 0 30 DIAC C[C@@H]1CC(C)(C)C[C@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 74345 YWSVJDGUFNFHIX-KZULUSFZSA-N 319.832 4.436 0 30 DIAC O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccccc1 143980 OPQVCJQLTWTOEL-UHFFFAOYSA-N 316.335 4.192 0 30 DIAC Cc1ccc(C)c(Cn2cnc3ccc(Br)cc32)c1 218615543 HVUDMWMXQNOPQP-UHFFFAOYSA-N 315.214 4.464 0 30 DIAC O=C(C[C@H]1CCCC[C@@H]1C(=O)O)c1cccc(C(F)(F)F)c1 83328478 ZPIWCRNJAWHXTF-MFKMUULPSA-N 314.303 4.169 0 30 DIAC CCN(c1cccs1)[C@H](C(=O)OC)c1ccccc1Cl 115361788 MBGVMSAXWAGGIJ-AWEZNQCLSA-N 309.818 4.142 0 30 DIAC C=C[C@](C)(O)CC[C@]1(C)C2=CCC[C@H](C(=O)OC)[C@H]2CC[C@H]1C 263589683 PFITUPZAWFVJGH-ZGMAETJZSA-N 320.473 4.265 0 30 DIAC CC(C)(c1ccccc1)[C@@H](O)c1ccc(Br)cc1 40243332 WFSJBKPYYXFBGO-HNNXBMFYSA-N 305.215 4.460 0 30 DIAC C[C@@H](c1cccc2ccccc12)N1C(=O)CC[C@@]12CCCC2=O 140344190 UKLLBFJHPRAKSW-VBKZILBWSA-N 307.393 4.015 0 30 DIAC Cc1csc2c(NCCc3ccc(Cl)cc3)ncnc12 82195 VINMKUTWUONKDT-UHFFFAOYSA-N 303.818 4.308 0 30 DIAC FC(F)(F)c1cccnc1Oc1ccc(C2=NCCS2)cc1 122002 RBXFQDXHFYENKQ-UHFFFAOYSA-N 324.327 4.386 0 30 DIAC CON=Cc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 254440760 HVPWVGLNBKFDOP-UHFFFAOYSA-N 314.694 4.401 0 30 DIAC Nc1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)s1 108891 ZBMJBURQTCJOGJ-UHFFFAOYSA-N 312.238 4.430 0 30 DIAC CC(C)(C)OC(=O)N1CC(c2cc(Cl)nc3ccccc23)C1 95929846 VLLXUQFGFJLKOL-UHFFFAOYSA-N 318.804 4.223 0 30 DIAC C=C1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 13467299 HRVOUMJOOZFBIQ-WGLMPOJLSA-N 314.469 4.435 0 30 DIAC O=C(Cc1cccc(-c2ccccc2)c1)NCc1cccc(F)c1 19616052 DISIXYFCQOTASJ-UHFFFAOYSA-N 319.379 4.352 0 30 DIAC N[C@H](c1ccccc1)[C@@H]1C[C@H]1c1ccc(Br)cc1 1536222102 ZDJWZQRQRKAGMB-ARFHVFGLSA-N 302.215 4.253 0 30 DIAC COc1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 108344 ZKQKCOLMXVVENL-UHFFFAOYSA-N 320.270 4.431 0 30 DIAC Cc1cc(C(=O)Nc2ccccc2)c(C)n1Cc1cccs1 113697 MICKUPVNNWGVFH-UHFFFAOYSA-N 310.422 4.467 0 30 DIAC Clc1ccc(NN=C2C=NN=C2c2ccc(Cl)cc2)cc1 254617861 AATUPCGDUDXKLB-UHFFFAOYSA-N 317.179 4.250 0 30 DIAC C[C@@H](NCc1ccc(F)cc1)c1cccc(Br)c1 19943551 IKZDZDUNMICGAH-LLVKDONJSA-N 308.194 4.439 0 30 DIAC CCN(CC)[C@H](C(=O)Oc1c(C)cccc1C)c1ccccc1 95787568 FYAILJKBSWZMNQ-SFHVURJKSA-N 311.425 4.292 0 30 DIAC Cc1csc2ncnc(NCCc3ccc(Cl)cc3)c12 7546 LEGUQDCVQXJFKS-UHFFFAOYSA-N 303.818 4.308 0 30 DIAC COc1ccc(-c2c(C(F)(F)F)nn3c(C)cc(C)nc23)cc1 147260 DNUBXXCCCLHWJR-UHFFFAOYSA-N 321.302 4.041 0 30 DIAC O[C@H](C=C(C(F)(F)F)C(F)(F)F)c1ccccc1Cl 2020712 IYTUIQQSBAZIIU-MRVPVSSYSA-N 304.617 4.424 0 30 DIAC S=C(Nc1ccccc1Cl)N1CCCc2ccccc21 67415 SSRZJLVZXJJLLB-UHFFFAOYSA-N 302.830 4.490 0 30 DIAC Fc1ccc(NC(=S)Nc2ccc(F)cc2F)c(F)c1 88803 DXJFCSZZVRTKEK-UHFFFAOYSA-N 300.280 4.052 0 30 DIAC O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1ccco1 109255 HDOJZBAFRYGRNA-UHFFFAOYSA-N 305.639 4.084 0 30 DIAC Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(C(C)(C)C)n1 165174 FUQZBAHGAZTFFD-UHFFFAOYSA-N 306.797 4.244 0 30 DIAC FC(F)(F)c1ccccc1-n1nnnc1-c1ccc(Cl)cc1 77806 AQWKFOQKQDTBHZ-UHFFFAOYSA-N 324.693 4.002 0 30 DIAC CC(C)(C)OC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 198787232 PVLZKBLEVAUWTJ-UHFFFAOYSA-N 308.378 4.381 0 30 DIAC CON=Cc1c(Sc2ccc(Cl)cc2)nc2sccn12 254452585 SSCPUUMECGJAJH-UHFFFAOYSA-N 323.830 4.181 0 30 DIAC Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)C 115048 BIUVUXWPDPSGCZ-UHFFFAOYSA-N 314.172 4.050 0 30 DIAC CCc1ccccc1[C@](CC)(OP(=O)(O)O)c1ccccc1 83407009 HTRGPNLTINRHAR-QGZVFWFLSA-N 320.325 4.012 0 30 DIAC in-vitro CCOC(COc1ccc(SC(F)(F)F)cc1)OCC 15042792 BKGQVFZOJVGLSV-UHFFFAOYSA-N 310.337 4.076 0 30 DIAC CN(C)C1=Cc2cccc3c2[C@@]12C=CC1=CCCC(=C12)OPO3 2265364147 JLGFCGMPIJVQNT-IBGZPJMESA-N 323.332 4.302 0 30 DIAC CCCCCCCCCCCC[C@@H](O)CSCC(=O)O 111897040 QVLFKHLAOKXTEM-OAHLLOKOSA-N 304.496 4.476 0 30 DIAC COc1cc(Br)cc(C=Nc2ccc(C)cc2)c1O 254499492 MQBZAJXPCGJYSZ-UHFFFAOYSA-N 320.186 4.222 0 30 DIAC CC(C)c1ccc(NC(=O)c2cc(F)cc3c2OCOC3)cc1 130136 ZVFLDDHEHHMYBL-UHFFFAOYSA-N 315.344 4.068 0 30 DIAC CN(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](N)[C@@]4(C)CC[C@@H]32)C1 2265352107 QODUFPZHGDTSMY-QKSWPAOXSA-N 318.549 4.287 0 30 DIAC CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(Cl)cc1 159468 UMVHOYWQCVOYQO-PKOBYXMFSA-N 324.811 4.210 0 30 DIAC biogenic C=CCN1C(=O)C(=Nc2ccc(C)c(Cl)c2)c2ccccc21 254765973 SXSCIRJLXDNIRM-UHFFFAOYSA-N 310.784 4.302 0 30 DIAC CCOC(=O)c1cc(C)ccc1NC(=O)c1ccc(Cl)cc1 67340 DIMQTTKNDUVWQT-UHFFFAOYSA-N 317.772 4.077 0 30 DIAC Cc1noc(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 111951 TYBCXZKEOYILHY-UHFFFAOYSA-N 318.682 4.216 0 30 DIAC Cc1ccc([C@H](C)OC(=O)[C@@]2(C)CC[C@@H](C(=O)O)C2(C)C)cc1 11616427 KRWZVKRKTWCYPR-ZUEVXXBESA-N 318.413 4.126 0 30 DIAC in-man C=C[C@](C)(O)CC[C@]1(C)C2=CCC[C@H](C(=O)OC)[C@H]2CC[C@@H]1C 263589680 PFITUPZAWFVJGH-MHZKCTCGSA-N 320.473 4.265 0 30 DIAC CCCCOC(=O)/C(Cl)=C(\Cl)C(Cl)(Cl)Cl 5513960 XZSVYPVMTCFPMI-AATRIKPKSA-N 314.423 4.389 0 30 DIAC CC(C)(C)c1ccc(NC(=O)Cc2cc(F)cc(F)c2)cc1 112817 QTZAERHXMOBSFL-UHFFFAOYSA-N 303.352 4.444 0 30 DIAC CCN(CC)CCC(=O)OC1c2ccccc2-c2ccccc21 2037843 KDMXJWAQUFIBIR-UHFFFAOYSA-N 309.409 4.032 0 30 DIAC Clc1ccc(CSC2=NN[C@@H](c3ccccn3)S2)cc1 4365817 WYHSUJVXWKALFN-CYBMUJFWSA-N 321.858 4.274 0 30 DIAC CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(C(=O)O)cc2)n1 112933 CKLOAMOCQBBAHV-UHFFFAOYSA-N 300.402 4.166 0 30 DIAC Clc1cccc(-n2c(SCC3CC3)nnc2C2CC2)c1 90417 XCDBNUUNFVQCIA-UHFFFAOYSA-N 305.834 4.300 0 30 DIAC CCC[C@]1(c2cccc(O)c2)CCN(CCc2ccccc2)C1 3634747 IAUGXDGCSZMJIE-NRFANRHFSA-N 309.453 4.379 0 30 DIAC CSc1sc(C(=O)OC(C)C)c2c1C(=O)CC(C)(C)C2 4349886 NZGARRAKJJDGBH-UHFFFAOYSA-N 312.456 4.190 0 30 DIAC O=C(OCCCN1CCCC[C@H]1c1ccccc1)c1ccccc1 33875330 BCBOPENIQICMQD-FQEVSTJZSA-N 323.436 4.461 0 30 DIAC CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@@]21C 17322962 GUBNWXDDDXQJOQ-XYQAPHKRSA-N 306.490 4.141 0 30 DIAC CCCCn1c(CCN)nc2ccc(-c3ccccc3OC)cc21 2265385103 ZLPWDHBCQNFTOG-UHFFFAOYSA-N 323.440 4.013 0 30 DIAC CCO[C@@]12C(=O)[C@H]3c4ccccc4[C@H]1[C@H]1c4ccccc4[C@H]3C[C@@H]12 223544347 PCNFRKQJTWZNIL-AGMHDLFCSA-N 316.400 4.126 0 30 DIAC Fc1ccccc1-c1nnc(-c2ccc(OC(F)(F)F)cc2)o1 122510 STPOVJWIXTUTGD-UHFFFAOYSA-N 324.233 4.441 0 30 DIAC C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccccc1 100122234 RPMPAQXGZYLEST-ONGXBYRLSA-N 307.437 4.117 0 30 DIAC CN(C)CCO[C@@]1(Cc2ccccc2)C[C@@H]2CC[C@]1(C)C2(C)C 100371567 XAZVHBVUJRRLHH-TYPHKJRUSA-N 315.501 4.392 0 30 DIAC in-man Cc1c(O)c(C)c2sc(Nc3ccccc3O)nc2c1C 45820308 FVQZDEPFSPCHKW-UHFFFAOYSA-N 300.383 4.376 0 30 DIAC CCCCCCCCc1ccc(OCCOCC(=O)O)cc1 205322928 XZNGROLKAUBWMB-UHFFFAOYSA-N 308.418 4.070 0 30 DIAC CN(C)c1cc(-c2ccc(Cl)c(Cl)c2)oc(=O)c1Cl 142358 LSVGTJAZWPRASB-UHFFFAOYSA-N 318.587 4.333 0 30 DIAC C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1 100640202 RPMPAQXGZYLEST-RVHYNSKXSA-N 307.437 4.117 0 30 DIAC O=C(CSc1ccccn1)Nc1cccc(Cl)c1Cl 75127 FNGWGSSRUHFFPD-UHFFFAOYSA-N 313.209 4.119 0 30 DIAC CCCC[P@](=O)(OCC)OP(=O)(OCC)OCC 2037113 IMAZMHCGEUDCNH-KRWDZBQOSA-N 302.244 4.214 0 30 DIAC O=C(Nc1cccc(C(F)(F)F)c1)c1c(F)cccc1F 68009 LXCOBLUEGBIGJX-UHFFFAOYSA-N 301.214 4.236 0 30 DIAC O=C(c1ccccc1)c1cccc(Nc2ccccc2C(=O)O)c1 2016343 HUEYEAPOFINHSA-UHFFFAOYSA-N 317.344 4.359 0 30 DIAC C[C@@H](N)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34598187 FLEBIYNUTZNISZ-GAZWTWTNSA-N 317.517 4.274 0 30 DIAC Cc1ccccc1CN1N=C(C=Cc2ccccc2)CCC1=O 2265276289 NLQGEDUOIDHOII-UHFFFAOYSA-N 304.393 4.187 0 30 DIAC Cc1ccc2[nH]c(=S)n(-c3cc(Cl)ccc3C)c(=O)c2c1 103062 BBNBOBNLGFJJDD-UHFFFAOYSA-N 316.813 4.319 0 30 DIAC O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccccc1Cl 70732 RVCUFEXNUUADQA-NTEUORMPSA-N 318.159 4.338 0 30 DIAC COc1ccc2[nH]c(C(=O)N(C)c3ccccc3Cl)cc2c1 114534 ORBNDAXLNPPOQY-UHFFFAOYSA-N 314.772 4.107 0 30 DIAC CC(C)(C)c1ccc(NC(=O)CSc2ccccn2)cc1 129105 WHZCPSAIUKZWBH-UHFFFAOYSA-N 300.427 4.110 0 30 DIAC COc1cc(CC[C@@H](O)CCCCc2ccccc2)ccc1O 15112775 DHUCMVAZNHOIPY-SFHVURJKSA-N 314.425 4.107 0 30 DIAC biogenic CNc1ccc(Cl)cc1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 144231 RGOKGZCGPOFYFI-YPMHNXCESA-N 308.853 4.326 0 30 DIAC O=C1Cc2ccc(F)cc2C[C@H]1C1=Cc2ccc(F)cc2CC1 4321905 BYJRDEVKOGEWIX-IBGZPJMESA-N 310.343 4.279 0 30 DIAC C[C@@H](C[C@@]12C[C@@H]3C[C@@H](C[C@@](C[C@@H](C)N(C)C)(C3)C1)C2)N(C)C 2265381389 MAUPEEOLISTDHT-YUNYCSSDSA-N 306.538 4.253 0 30 DIAC O=C(O)Cc1sc(-c2cccs2)nc1-c1ccccc1 8719477 BOFQVNNXEDLSGY-UHFFFAOYSA-N 301.392 4.166 0 30 DIAC Cc1cccc(NC(=O)c2cc3ccccc3s2)c1C(=O)O 152171 HXFCECDZNFINKE-UHFFFAOYSA-N 311.362 4.160 0 30 DIAC CC(C)Cc1cc2ccccc2c(S(=O)(=O)O)c1CC(C)C 33506120 KBLAMUYRMZPYLS-UHFFFAOYSA-N 320.454 4.484 0 30 DIAC COc1ccc(NC(=S)Nc2ccc(SC)cc2)cc1 93899 LGQDCWBABSOHLG-UHFFFAOYSA-N 304.440 4.226 0 30 DIAC CCOc1ccc(C=CC(=O)NCc2ccc(Cl)cc2)cc1 2265259437 WPGDZLWDMYTMLX-UHFFFAOYSA-N 315.800 4.068 0 30 DIAC CCOc1ccc(C=CC(=O)Nc2ccc(F)cc2F)cc1 2265279681 SJMKSLAGLVDNHZ-UHFFFAOYSA-N 303.308 4.015 0 30 DIAC COc1ccc2c(c1)C=C([N+](=O)[O-])[C@H](c1ccc(Cl)cc1)O2 2001756 KXUIEPMQAMYTMI-INIZCTEOSA-N 317.728 4.100 0 30 DIAC CC(C)(C)OC(=O)Nc1cc(Br)c2cc[nH]c2c1 306821235 KAUPUFJYWCJOTQ-UHFFFAOYSA-N 311.179 4.277 0 30 DIAC O=C(Nc1cccs1)Nc1ccccc1N1CCCCC1 155448 JDYVNBPPDAQWND-UHFFFAOYSA-N 301.415 4.382 0 30 DIAC N[C@H](c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1Br 1536221782 CGOHIGWGKPRKKI-IIAWOOMASA-N 302.215 4.253 0 30 DIAC Cc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1 1031909 YNVFGGBUNCDGEX-UHFFFAOYSA-N 305.259 4.126 0 30 DIAC CC(C)(C)C(=O)n1cc2c(n1)-c1cc(Cl)ccc1SC2 107788 BWVFASDTIXKCDO-UHFFFAOYSA-N 306.818 4.496 0 30 DIAC CC(=NOC(=O)c1cccs1)[C@H]1C[C@@H]1c1ccc(F)cc1 4091538 INXOPCBIJBXJMF-ZIAGYGMSSA-N 303.358 4.224 0 30 DIAC COc1cc2cc(OCc3cccc(C)c3)nc(C)c2cc1OC 4336112 AHRPTOUTPKAPCQ-UHFFFAOYSA-N 323.392 4.448 0 30 DIAC CCN1CCC[C@H]1CCOc1cc(Cl)cc(Cl)c1OC 34113212 DBARMDUSHJFUOJ-LBPRGKRZSA-N 318.244 4.255 0 30 DIAC O=c1cc(CSc2ccc(Cl)cc2)c2ccc(O)cc2o1 127665 HTNDNPPKRSTWPY-UHFFFAOYSA-N 318.781 4.444 0 30 DIAC CC(=O)c1cnn(-c2ccc(Cl)c(Cl)c2Cl)c1C 142244 SWWALZHTMPIOOC-UHFFFAOYSA-N 303.576 4.344 0 30 DIAC O=C(NC=Cc1ccco1)OCc1c(Cl)cccc1Cl 2265278918 XKFSVPKTDZYRAJ-UHFFFAOYSA-N 312.152 4.484 0 30 DIAC COP(OC[C@H]1C[C@H]2C=C[C@H]1C2)OC[C@@H]1C[C@H]2C=C[C@H]1C2 111420978 GRHMZHVDKFWUNS-JKCTWFHMSA-N 308.358 4.317 0 30 DIAC CN1CC[C@H]2[C@@H](C1)c1cc(Cl)ccc1N2Cc1ccccc1 536555932 CSLZACPQIWUACW-HKUYNNGSSA-N 312.844 4.148 0 30 DIAC O=C1Nc2ccccc2SC1=CNCc1ccc(Cl)cc1 2265279181 APTOESKUKOJLTL-UHFFFAOYSA-N 316.813 4.015 0 30 DIAC O=c1cc(-c2ccccc2)nc2scc(-c3ccccc3)n12 73131 LOVYXLDJUKYOIS-UHFFFAOYSA-N 304.374 4.090 0 30 DIAC COc1cccc(-n2cc(-c3ccc(F)cc3)[nH]c2=S)c1 160533 GHIXZXRURQJMSC-UHFFFAOYSA-N 300.358 4.350 0 30 DIAC CCCCN1[C@H](C)CCC[C@@H]1C(=O)N(C)c1ccccc1C 56958785 AMUZIOYYLICJKU-SJLPKXTDSA-N 302.462 4.001 0 30 DIAC O=C(O)c1cc(-c2cnc(-c3ccccc3)s2)n2ccccc12 953109713 GZHVQYUHOPQCPY-UHFFFAOYSA-N 320.373 4.428 0 30 DIAC CCOc1ccccc1OC(=O)Oc1ccccc1OCC 2556720 LTAICIIOZBYBTN-UHFFFAOYSA-N 302.326 4.062 0 30 DIAC CCOC(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 96331698 FTRWJHVGKYNKFC-UHFFFAOYSA-N 314.225 4.220 0 30 DIAC O=C(NCc1ccc(F)cc1F)c1ccc(Cl)cc1Cl 142092 RXNMOQRUXLMERE-UHFFFAOYSA-N 316.134 4.202 0 30 DIAC Cc1c(Cc2c(F)cccc2Cl)c(=O)oc2cc(O)ccc12 88706 XGGJPQTVADCHDQ-UHFFFAOYSA-N 318.731 4.190 0 30 DIAC COc1ccccc1CNc1cnccc1Oc1ccccc1 44138734 YWVGMYNAOSNGEP-UHFFFAOYSA-N 306.365 4.495 0 30 DIAC C[C@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 5439454 FLEBIYNUTZNISZ-YZXCLFAISA-N 317.517 4.274 0 30 DIAC biogenic O=C1Nc2ccccc2SC1=CNc1ccc(Cl)cc1 2265279205 HOZKSJKGMLQVHQ-UHFFFAOYSA-N 302.786 4.338 0 30 DIAC O=C(Oc1ccc(C2=NCCS2)cc1)c1ccc(Cl)cc1 119940 GZDJUPJALJDHSB-UHFFFAOYSA-N 317.797 4.053 0 30 DIAC CCCN(CCc1ccsc1)[C@@H]1CCc2c(O)cccc2C1 5833412 RHRKSVACMIQFDY-QGZVFWFLSA-N 315.482 4.266 0 30 DIAC CC(C)Oc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1 77336 BTPOBVFCIPPVDG-UHFFFAOYSA-N 324.302 4.140 0 30 DIAC CN(C)CCCN1c2cc(Cl)ccc2CNc2ccccc21 1999707 WFPKGPHTXIOMFI-UHFFFAOYSA-N 315.848 4.355 0 30 DIAC CCCC[C@H](C(=O)Nc1c(C)cccc1Cl)N1CCCC1 33875430 JSFKACIDDOTYLB-OAHLLOKOSA-N 308.853 4.242 0 30 DIAC C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 4216361 VIQFMADXQMGZER-CGVINKDUSA-N 319.533 4.353 0 30 DIAC CC(=NOCc1ccc(Cl)cc1)c1ccc(CC#N)s1 254296907 WYRQLDLSSRSTGL-UHFFFAOYSA-N 304.802 4.408 0 30 DIAC COc1ccc(NC(=O)Nc2c(C)noc2-c2ccccc2)cc1 129686 AFNXZYUAUXOODL-UHFFFAOYSA-N 323.352 4.303 0 30 DIAC Cc1nc(CNCc2ccc(-c3ccccc3)s2)cs1 40443864 BYGCEAPXAMINOX-UHFFFAOYSA-N 300.452 4.470 0 30 DIAC C[C@@H](Oc1ccc2c(c1)OC(C)(C)C=C2)C(=O)Nc1ccccc1 161161 IHRRDKMAVLUOIE-CQSZACIVSA-N 323.392 4.277 0 30 DIAC O=C(O)c1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1 143510028 CUDCHQFYSLHTTB-UHFFFAOYSA-N 317.344 4.363 0 30 DIAC CCOC(=O)Cc1c(Cl)cc(C(F)(F)F)cc1Cl 1249882144 NYNHDJWLXNDNRQ-UHFFFAOYSA-N 301.091 4.118 0 30 DIAC O=c1c(C(F)(F)F)cccn1Cc1cc(Cl)cc(Cl)c1 126953 FFMULUQALKXOTO-UHFFFAOYSA-N 322.113 4.222 0 30 DIAC C[C@H]1N(CC(=O)c2ccccc2)CCC[C@@]1(C)c1cccc(O)c1 5736133 XMSWGYQEWPUOKA-IIBYNOLFSA-N 323.436 4.017 0 30 DIAC in-man COc1ccc(-c2cn3c(n2)sc2cccc(OC)c23)cc1 40964676 PAAPXKIPRUAHKG-UHFFFAOYSA-N 310.378 4.233 0 30 DIAC Fc1cc(Br)cc(Br)c1C(F)(F)F 238730460 JJTVQJORRJUPPU-UHFFFAOYSA-N 321.893 4.370 0 30 DIAC C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2265352087 QAAQQTDJEXMIMF-XGLSGWNZSA-N 318.501 4.307 0 30 DIAC C[C@]1(c2ccccc2)Cc2cc(O)c(Cl)c(Cl)c2C1=O 6032156 FNKRIDAPUUDBPN-MRXNPFEDSA-N 307.176 4.396 0 30 DIAC CC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]21C 96030478 GUBNWXDDDXQJOQ-QVNJDCLOSA-N 306.490 4.141 0 30 DIAC CC(=O)C1=NN(c2ccccc2)[C@H]2c3cccc4cccc(c34)[C@H]12 159278 OPLUJDQPTDLYSU-CTNGQTDRSA-N 312.372 4.443 0 30 DIAC CC(C)c1nc2c(-c3c[nH]nc3-c3ccc(F)cc3)ccnc2[nH]1 953063794 RMWZGLGRHIYEFE-UHFFFAOYSA-N 321.359 4.278 0 30 DIAC Clc1ccc(C=NNc2ncnc3ccccc23)cc1Cl 13142239 QBSKJAJKLCDFAG-UHFFFAOYSA-N 317.179 4.383 0 30 DIAC CSC1=NC(C=Cc2ccc(F)cc2Cl)=CC(C)(C)N1 2265276400 JXZAKXRFKDMKAG-UHFFFAOYSA-N 310.825 4.477 0 30 DIAC O=C(NCCSCc1ccccc1Cl)c1cccs1 4390631 JUQZCQAVQYFGQH-UHFFFAOYSA-N 311.859 4.065 0 30 DIAC COc1ccc2cc([C@@H](C)CN3CCSCC3)ccc2c1 33866580 XJFSOYAMJALDBY-AWEZNQCLSA-N 301.455 4.001 0 30 DIAC CC(C)(C)c1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)cc1 2265240977 DKNGDCKQSSMMDP-UHFFFAOYSA-N 323.392 4.365 0 30 DIAC C[C@@H](N)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2265351328 DMANVUPVHRRYIP-LUZKKCDOSA-N 319.533 4.353 0 30 DIAC C[C@H]1CN(c2nc3c(Cl)cc(Cl)cc3s2)C[C@H](C)O1 105872 FFVLNQJCQNJHDD-YUMQZZPRSA-N 317.241 4.217 0 30 DIAC C[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 100218616 IHOCMMNKJAUECF-FQEVSTJZSA-N 308.790 4.029 0 30 DIAC CCCCCC[C@H](C)O[S@@](=O)(=S)c1ccc(C)cc1 100293463 WCVKHTFTNOORGH-IFXJQAMLSA-N 300.489 4.391 0 30 DIAC O=C(O)c1cccc2cccc(Sc3ccccc3CO)c12 133937 HXMFSIRALZHCDC-UHFFFAOYSA-N 310.374 4.182 0 30 DIAC CN(C)c1cc(-c2cc(Cl)sc2Cl)oc(=O)c1Cl 142412 BQHVKLDZRBYUTC-UHFFFAOYSA-N 324.616 4.395 0 30 DIAC CCOC(=O)c1sc2nc(-c3ccc(C)c(C)c3)cn2c1C 40437678 OGDCZYINNIUVAD-UHFFFAOYSA-N 314.410 4.165 0 30 DIAC O=c1cc(Nc2ccc(OC(F)(F)F)cc2)c2ccccc2o1 102938 QQZGOJGMBNGRTI-UHFFFAOYSA-N 321.254 4.435 0 30 DIAC Cc1nc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cs1 121413 IWRLZEPNWRBPJT-UHFFFAOYSA-N 311.288 4.187 0 30 DIAC CN(C)C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 164567 PESACDUUBYVSJA-UHFFFAOYSA-N 300.141 4.081 0 30 DIAC CCCCc1ccc(NC(=O)NC2Cc3ccccc3C2)cc1 4364873 HZJVWIBDOSOYQC-UHFFFAOYSA-N 308.425 4.318 0 30 DIAC ON=Cc1ccccc1Oc1ccc(Br)cc1F 254310292 ACEWLXJZGVFVRT-UHFFFAOYSA-N 310.122 4.189 0 30 DIAC CC(C)(C)OC(=O)Nc1ccc(Cl)c(Br)c1 87153534 CFQOESHBRDOJIP-UHFFFAOYSA-N 306.587 4.450 0 30 DIAC CN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1 77340 NWICQYGXOZWLGT-UHFFFAOYSA-N 314.694 4.030 0 30 DIAC CSc1cccc(OC(F)(F)F)c1NC(=O)C(C)(C)C 109240 UMTWUHYKPSDIDO-UHFFFAOYSA-N 307.337 4.292 0 30 DIAC O=C(Cc1cccc(-c2ccccc2)c1)NCc1ccccc1 40435138 UDYNMQJNZQEZFC-UHFFFAOYSA-N 301.389 4.213 0 30 DIAC O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1Cc1ccccc1 4336078 SRYDKGCVEBIMLP-UHFFFAOYSA-N 321.763 4.289 0 30 DIAC C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/O)CC[C@H]12 37229861 CWINRPKWTQFSKW-AAYVTSSQSA-N 305.462 4.220 0 30 DIAC COC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl 167682 XYMCGQGALVRHLK-UHFFFAOYSA-N 324.163 4.032 0 30 DIAC O=C(c1cccc(C(F)(F)F)c1)c1nccc2ccccc12 174087 QLIPZBRKYPXXDT-UHFFFAOYSA-N 301.267 4.485 0 30 DIAC C[C@H](N)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 38482551 DMANVUPVHRRYIP-ZVPCKFNKSA-N 319.533 4.353 0 30 DIAC O=C(Oc1cccc2[nH]ccc12)c1ccc(C(F)(F)F)cc1 93239 OGKOSFYICJBBOI-UHFFFAOYSA-N 305.255 4.406 0 30 DIAC COc1ccc([C@@H]2Nc3cc(OC)ccc3-n3cccc32)cc1 155154 LBJJKESXWWPXKL-IBGZPJMESA-N 306.365 4.009 0 30 DIAC CC(C)C(=O)OCC(C)(C)[C@@H](OC(=O)c1ccccc1)C(C)C 5761082 FFSJSGNXYKUSCQ-INIZCTEOSA-N 320.429 4.093 0 30 DIAC CC(=O)NC1C[C@H](C2CCCCC2)O[C@@H](C2CCCCC2)C1 44137381 RDROZMXLWOJMJZ-RTBURBONSA-N 307.478 4.199 0 30 DIAC FC(F)(F)C(=Nc1ccc(Br)cn1)C(F)(F)F 238790149 AAVRBBQBHSTCNC-UHFFFAOYSA-N 321.018 4.041 0 30 DIAC Cc1ccc(Cn2nnc(-c3cc(Cl)cc(Cl)c3)n2)cc1 90006 ICPVHHPQBYZOHR-UHFFFAOYSA-N 319.195 4.004 0 30 DIAC CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1O 4217221 FCKLFGKATYPJPG-SSTBVEFVSA-N 302.458 4.125 0 30 DIAC in-man Cc1cc2nccc(Br)c2c(C)c1Br 232048262 CDUDEVAGTCMXBE-UHFFFAOYSA-N 315.008 4.377 0 30 DIAC CCN(CC)CC[C@H](OC(=O)c1ccccc1)c1ccccc1 1999316 VPRGXNLHFBBDFS-IBGZPJMESA-N 311.425 4.317 0 30 DIAC in-man C[C@H]1CC(C)(C)C[C@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 74341 YWSVJDGUFNFHIX-KPZWWZAWSA-N 319.832 4.436 0 30 DIAC OCCSCCCCCCCCCCCCSCCO 33985976 XPFPXZRKIRAJDU-UHFFFAOYSA-N 322.580 4.338 0 30 DIAC COC(=O)c1ccc(/C=C/c2ccc(OC)cc2Cl)cc1 204014928 OHWVZBMIRNRLPD-ZZXKWVIFSA-N 302.757 4.306 0 30 DIAC O=C(Nc1ccc(Cl)cc1)N1CCC(n2cccc2)CC1 170474 FDHJTHWIVWQUBR-UHFFFAOYSA-N 303.793 4.011 0 30 DIAC O=C(CSc1nccc(-c2cccs2)n1)c1ccccc1 4324970 RQHBSNMLAGLHHN-UHFFFAOYSA-N 312.419 4.180 0 30 DIAC Fc1cccc(Cl)c1CSc1nccn1-c1cccnc1 66297 LSBAKJIYITVJNY-UHFFFAOYSA-N 319.792 4.352 0 30 DIAC O=S(=O)(c1ccc(Cl)cc1)c1ccccc1C(F)(F)F 150204 AGYGLZYJRAAXQE-UHFFFAOYSA-N 320.719 4.192 0 30 DIAC Clc1ccc(-c2noc(CSc3ccccn3)n2)cc1 137827 FUNCOGHNCJVYKM-UHFFFAOYSA-N 303.774 4.077 0 30 DIAC CCN(CC)CC[C@@H](OC(=O)c1ccccc1)c1ccccc1 1999317 VPRGXNLHFBBDFS-LJQANCHMSA-N 311.425 4.317 0 30 DIAC in-man Cc1cc(Br)cc(Nc2nccc(C(F)F)n2)c1 117793799 UBVHBYRYYQOCPQ-UHFFFAOYSA-N 314.133 4.229 0 30 DIAC Cn1nc(C(C)(C)C)c(NC(=O)c2cccs2)c1C(C)(C)C 147233 MNMCBHZCZCHXCZ-UHFFFAOYSA-N 319.474 4.329 0 30 DIAC CC(C)(C)OC(=O)C1CCC(c2ccnc3cc[nH]c23)CC1 514268754 QGSHRMBAAGWXDH-UHFFFAOYSA-N 300.402 4.178 0 30 DIAC CC[C@@H](C)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 33638741 IFRYPSDRUFLKRK-ZJUUUORDSA-N 305.201 4.350 0 30 DIAC CC(C)(C)OC(=O)n1ccc2cc(F)c(Br)cc21 66338998 JBHGJHBCTKCSTH-UHFFFAOYSA-N 314.154 4.326 0 30 DIAC CC(C)(C)c1ccc(NC(=O)Nc2nnc(C3CC3)s2)cc1 155079 UBDLMVUSVKTYHW-UHFFFAOYSA-N 316.430 4.357 0 30 DIAC C[C@H]1CN(CCCc2ccco2)CC[C@@]1(C)c1cccc(O)c1 13833008 MDNFUQZTHRJSGF-OXJNMPFZSA-N 313.441 4.218 0 30 DIAC O=c1oc(COc2ccc(Cl)cc2Cl)nc2ccccc12 145125 COFPOOKHLZWCDH-UHFFFAOYSA-N 322.147 4.074 0 30 DIAC CC/C=C1\C(=O)Nc2cccc(CCN(CCC)CCC)c21 65748524 DTZIGOZEMIOOFP-PXNMLYILSA-N 300.446 4.097 0 30 DIAC in-vitro CC(C)(C)n1c(-c2ccccc2)csc1=NCc1cccnc1 254410975 JDVYNFFOODINAB-UHFFFAOYSA-N 323.465 4.468 0 30 DIAC O=C1C[C@H](c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 100208277 ZQXURZCNHXOOIY-CQSZACIVSA-N 320.175 4.041 0 30 DIAC Cc1ccc(-c2cc(-c3ccccc3)c3c(N)ncnc3n2)cc1 1036692 TYHSPMPGRFODKV-UHFFFAOYSA-N 312.376 4.249 0 30 DIAC COc1ccc2cc([C@H](C)CN3CCSCC3)ccc2c1 33866581 XJFSOYAMJALDBY-CQSZACIVSA-N 301.455 4.001 0 30 DIAC C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O 33968173 YQACAXHKQZCEOI-SCNSOLTMSA-N 316.441 4.219 0 30 DIAC Cc1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)cc1Cl 2265240992 QBDDBZFWPGKFMY-UHFFFAOYSA-N 315.756 4.029 0 30 DIAC CCCCOC(=O)c1c(C)ccc(C(C)C)c1OCCN(C)C 2004668 FXZFKDKFRLPXDC-UHFFFAOYSA-N 321.461 4.016 0 30 DIAC N=c1nc(C(=Cc2ccccc2)Oc2ccc(Cl)cc2)cc[nH]1 2265279492 WQJGMXWYAIGQFY-UHFFFAOYSA-N 323.783 4.120 0 30 DIAC CCN(c1cccc2ccccc12)S(=O)(=O)c1ccccc1 157664 WYZWBJIPTSCACL-UHFFFAOYSA-N 311.406 4.055 0 30 DIAC CC1(C)CC(=O)c2ccc(OCc3ccccc3F)cc2O1 3126304 FZKRDIRPJCIHQH-UHFFFAOYSA-N 300.329 4.149 0 30 DIAC CC[C@H](C)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 33638740 IFRYPSDRUFLKRK-VHSXEESVSA-N 305.201 4.350 0 30 DIAC O=C(CC(=O)C(F)(F)F)c1cc(Cl)c(Cl)c(Cl)c1 2265385020 PYQQMQYWAQOCTM-UHFFFAOYSA-N 319.493 4.351 0 30 DIAC O=C(NCc1csc(-c2cccs2)n1)C1CCCCC1 131562 DDPYWFUJHDDYKU-UHFFFAOYSA-N 306.456 4.068 0 30 DIAC CC(=O)O[C@@H]1CC[C@H]2C3=CCc4cc(O)ccc4[C@H]3CC[C@@]21C 36462434 CCPTXKVXEUQMCP-MDNKFWRPSA-N 312.409 4.100 0 30 DIAC C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 4731273 WRWBCPJQPDHXTJ-SLOHPKBISA-N 304.474 4.061 0 30 DIAC biogenic CN1CCC[C@@H](CN2c3ccccc3Sc3cccnc32)C1 28821637 RMNGITPGXJLUBV-CQSZACIVSA-N 311.454 4.026 0 30 DIAC O=C(N[C@H](CCN1CCCCC1)c1ccccc1)c1ccccc1 2000216 LFWBLDXRNPQFIF-HXUWFJFHSA-N 322.452 4.034 0 30 DIAC Cc1ccc(-c2nc(NC(=O)C3CC3)sc2C)cc1Cl 119257 QBXUKKNBJDCOJW-UHFFFAOYSA-N 306.818 4.429 0 30 DIAC CC(=O)c1csc(COc2cc(Cl)cc(Cl)c2)n1 122771 GVMHIGWJDPGKRS-UHFFFAOYSA-N 302.182 4.232 0 30 DIAC O=C(O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O 63796290 KGXDBNBXAPVUIM-UHFFFAOYSA-N 321.254 4.263 0 30 DIAC CN(C)CCO[C@]1(Cc2ccccc2)C[C@@H]2CC[C@]1(C)C2(C)C 100371563 XAZVHBVUJRRLHH-CEWLAPEOSA-N 315.501 4.392 0 30 DIAC in-man CSc1ccc(NC(=O)Nc2ccc3nsnc3c2)cc1 12340883 YHMSDTCVTKENRV-UHFFFAOYSA-N 316.411 4.057 0 30 DIAC CCOC(=O)Nc1ccc2cc(-c3ccccc3)c(=O)oc2c1 220743492 JNOSGBIRYACEDQ-UHFFFAOYSA-N 309.321 4.028 0 30 DIAC CCOC(=O)c1sc(-c2ccc(-c3ccno3)s2)nc1C 12340693 JEOXADBVZIBZOE-UHFFFAOYSA-N 320.395 4.012 0 30 DIAC Cc1nc(-c2nnc(SCc3ccc(Cl)cc3)o2)cs1 121016 UJYMXPJFYRYYBB-UHFFFAOYSA-N 323.830 4.447 0 30 DIAC Cc1ccc([S@](C)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1 13466075 CGPUFKAXOCVLLX-NRFANRHFSA-N 322.817 4.337 0 30 DIAC O[C@@]1(/C=C/c2ccccc2)CCCC[C@@H]1NCc1ccccc1 536558964 VFPKDQGHEBGGKH-ODOOKIQISA-N 307.437 4.163 0 30 DIAC O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCc2ccccc2O1 82339 DEMWANOKGOTRRL-HNNXBMFYSA-N 322.191 4.326 0 30 DIAC CC(C)(C)C(=O)OCc1nc(-c2ccc(F)c(F)c2)cs1 114036 YDYAUSDWIRKVNS-UHFFFAOYSA-N 311.353 4.178 0 30 DIAC CCC(C(=O)N1CCC[C@@H]1C)(c1ccccc1)c1ccccc1 3608602 DWIZRPDYYVIEIV-KRWDZBQOSA-N 307.437 4.394 0 30 DIAC C[C@H](C[C@]12C[C@H]3C[C@H](C[C@](C[C@@H](C)N(C)C)(C3)C1)C2)N(C)C 2265381387 MAUPEEOLISTDHT-CPPNMTBBSA-N 306.538 4.253 0 30 DIAC CC(C)CC[C@@H](OC(=O)CCC(=O)O)c1ccc(Cl)cc1 95876244 IJVMXOZKWHUACE-CQSZACIVSA-N 312.793 4.225 0 30 DIAC CON=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 254791704 QGWFCZRXTCFCQN-UHFFFAOYSA-N 322.773 4.380 0 30 DIAC Cc1nn(-c2ccc(F)cc2F)c(Oc2ccccc2)c1C=O 536555951 OBGUBOATQNSLEC-UHFFFAOYSA-N 314.291 4.064 0 30 DIAC CCCCc1c(O)c2cccc3c4c(n(c1=O)c23)CC[C@H](C)C4 100294478 BAMOSLXACRGYPO-LBPRGKRZSA-N 309.409 4.064 0 30 DIAC CCOC(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1Cl 76118 DUNCNFWTVDBHEO-UHFFFAOYSA-N 314.838 4.080 0 30 DIAC Clc1ccc(OCc2ccc(-c3csnn3)cc2)cc1 106200 OZDIHBKYNBXUPK-UHFFFAOYSA-N 302.786 4.438 0 30 DIAC O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc2ccccc2c1 99155 DZPNNNDCGULPOA-LJQANCHMSA-N 302.329 4.324 0 30 DIAC CC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1C 141298 BYUALARVKBHBRF-UHFFFAOYSA-N 303.576 4.344 0 30 DIAC Cc1c(O)c2ccccc2c2nc(NCc3cccnc3)sc12 26829188 VTNPGTRINXGCBA-UHFFFAOYSA-N 321.405 4.471 0 30 DIAC CCCCOC(=O)c1ccc(C(=O)OCc2ccccc2)cc1 33506047 IEICWPCBTOBBDK-UHFFFAOYSA-N 312.365 4.001 0 30 DIAC Cc1noc(C)c1-c1nc(-c2cccc(C(F)(F)F)c2)no1 112229 VHIOJYFCGKBGBI-UHFFFAOYSA-N 309.247 4.027 0 30 DIAC CC(=O)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(Cl)cc1 4335038 UMVHOYWQCVOYQO-IEBWSBKVSA-N 324.811 4.210 0 30 DIAC biogenic Cc1cc(C)cc(NC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 155825 SJUNNHVPJQBBDR-AWEZNQCLSA-N 323.396 4.073 0 30 DIAC CCCC[P@@](=O)(OCC)OP(=O)(OCC)OCC 1621052 IMAZMHCGEUDCNH-QGZVFWFLSA-N 302.244 4.214 0 30 DIAC N=c1scc(-c2ccc(Cl)cc2)n1-c1ccccc1F 4306909 SZTWXAFPFTWJHZ-UHFFFAOYSA-N 304.777 4.478 0 30 DIAC O=C(SC1=NCCc2ccccc21)c1ccc(Cl)cc1 172361 LYRZVNJQKQEBIQ-UHFFFAOYSA-N 301.798 4.216 0 30 DIAC NC(=O)c1cccc(CSCc2csc3ccccc23)c1 154305 UMAAKGFHGYPLIK-UHFFFAOYSA-N 313.447 4.434 0 30 DIAC Oc1ccc2c(Br)ccc(Br)c2c1 198662648 JOROLQUXAFQXJN-UHFFFAOYSA-N 301.965 4.070 0 30 DIAC Cc1ccc(N2C(=O)CC(c3ccccc3)CC2=O)cc1Cl 4371531 PPWXQQTYDMOQPT-UHFFFAOYSA-N 313.784 4.086 0 30 DIAC COc1ccc([C@H]2C[C@@H]2C(C)=NOC(=O)c2ccccc2)cc1 4013465 NFWHVKISQOCDPM-QZTJIDSGSA-N 309.365 4.032 0 30 DIAC CC(C)c1c(C(=O)O)c2cc(O)ccc2n1Cc1ccccc1 91306130 QKOWAZGOGSVYQB-UHFFFAOYSA-N 309.365 4.217 0 30 DIAC Cc1ccccc1NC(=O)Nc1cc(-c2ccccc2)nn1C 157697 XGFIHROKDPLSQY-UHFFFAOYSA-N 306.369 4.040 0 30 DIAC CSc1ccc(C(=O)[C@H]2CC[C@](C)(C(=O)O)C2(C)C)cc1 33605108 XWTSRBQUGSDXQQ-CXAGYDPISA-N 306.427 4.118 0 30 DIAC Cc1ccc(-c2csc(CS(=O)(=O)C(C)(C)C)n2)c(C)c1 113926 KXWCYDZLWBQDFB-UHFFFAOYSA-N 323.483 4.140 0 30 DIAC Cc1c(Cl)cccc1NC(=O)NCCSCc1ccco1 4364708 PCMICGDEMBPSBF-UHFFFAOYSA-N 324.833 4.296 0 30 DIAC O=C1OC(c2ccccc2)=N/C1=C/c1cc(Cl)cc(Cl)c1 111606 FVTCBXIOCLAOFH-RIYZIHGNSA-N 318.159 4.338 0 30 DIAC COC(=O)c1sccc1OC(=O)c1ccc(C(C)(C)C)cc1 82369 GMUHSRQOGSCOFC-UHFFFAOYSA-N 318.394 4.051 0 30 DIAC COc1cc(CC[C@H](O)CCCCc2ccccc2)ccc1O 15112777 DHUCMVAZNHOIPY-GOSISDBHSA-N 314.425 4.107 0 30 DIAC biogenic,in-vitro O=C(O)Cc1ccc2sc(-c3ccc(Cl)cc3)nc2c1 2008342 FJGLVTYWNCZPBL-UHFFFAOYSA-N 303.770 4.244 0 30 DIAC COC(=O)c1sc(-c2cc(Cl)cc(Cl)c2)cc1N 34975222 VGQDEFVTYMTIJR-UHFFFAOYSA-N 302.182 4.091 0 30 DIAC in-vitro Cc1onc(-c2ccccc2)c1/C=C1\C(=O)Nc2ccccc21 1034488 SDKXUNMTVUXBRG-WJDWOHSUSA-N 302.333 4.143 0 30 DIAC Cc1cccc(Cl)c1NC(=O)OC1CCN(C(C)C)CC1 2010138 ZXEPICRUPDEDET-UHFFFAOYSA-N 310.825 4.070 0 30 DIAC CC(=O)c1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1 140790 ZORFSVANUYMEBA-UHFFFAOYSA-N 309.148 4.415 0 30 DIAC O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccccc2O1 82336 GZJYYTDPEQCUOZ-OAHLLOKOSA-N 321.298 4.038 0 30 DIAC O=C1Nc2ccccc2SC1=CNCc1ccccc1Cl 2265279238 RTNGACOPHJCECB-UHFFFAOYSA-N 316.813 4.015 0 30 DIAC Fc1ccc2ncc(-c3ccc(Br)s3)nc2c1 83264 AZAOQJQBSOWFJM-UHFFFAOYSA-N 309.163 4.260 0 30 DIAC COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(C)=O)cc1 88688 CHWZWLLLOJMRNQ-HXUWFJFHSA-N 322.408 4.010 0 30 DIAC Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 110721 ZASCHQPPNGSAKO-UHFFFAOYSA-N 321.420 4.039 0 30 DIAC CN(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](N)CC[C@H]32)C1 2265352108 QODUFPZHGDTSMY-UPYGWULESA-N 318.549 4.287 0 30 DIAC Cn1nc(C(F)(F)F)c(N=Nc2ccc(Cl)cc2)c1O 254790553 AFGKTNZAETYYCH-UHFFFAOYSA-N 304.659 4.213 0 30 DIAC Cn1c(Cl)c(C=NOC(=O)c2cccs2)c2ccccc21 254752452 MGFPQQIYLXUNCG-UHFFFAOYSA-N 318.785 4.084 0 30 DIAC Cc1cn2cc(-c3ccc(C(F)(F)F)cc3)cc(C(=O)O)c2n1 607717069 ZUOWTRYQPFPRFO-UHFFFAOYSA-N 320.270 4.027 0 30 DIAC CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 222102477 QMCLGDBCODWMRX-KCMORZRYSA-N 316.441 4.060 0 30 DIAC Cc1nc(C)c(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)o1 107688 MGXYCPAXRGAWSF-UHFFFAOYSA-N 319.286 4.434 0 30 DIAC Clc1nccc2nc(-c3ccc(Br)cc3)[nH]c12 6093411 NOFAYXAPSXNFKZ-UHFFFAOYSA-N 308.566 4.041 0 30 DIAC CCSc1nccc(-c2ccc3c(c2)CCC(C)(C)O3)n1 149813 BHIMZCLMQGWJTN-UHFFFAOYSA-N 300.427 4.359 0 30 DIAC O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cccc(F)c1 83050 NBISDUQAJBBDMR-UHFFFAOYSA-N 310.353 4.106 0 30 DIAC CC1(C)Cc2cccc(C(=O)Nc3ccc(Cl)cc3)c2O1 129952 FVTWMXVJTAFAHK-UHFFFAOYSA-N 301.773 4.306 0 30 DIAC CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C 2563108 OAYVNTJIQBDDEZ-GEZWIXNASA-N 314.469 4.435 0 30 DIAC O=C1CC2(CCCC2)CC(=O)N1c1cc(Cl)cc(Cl)c1 3139105 SBEPNODYKMADGM-UHFFFAOYSA-N 312.196 4.207 0 30 DIAC C[C@@H](NCc1ccc(F)cc1)c1ccc(Br)cc1 19943542 WLLFGJFBRCHJOF-LLVKDONJSA-N 308.194 4.439 0 30 DIAC CC(C)c1ccc(NC[C@@H](O)CSc2ccccc2)cc1 74214 BIEAYQPEGOMCSZ-QGZVFWFLSA-N 301.455 4.375 0 30 DIAC O=C(Nc1cccc2[nH]ccc12)c1cccc(C(F)(F)F)c1 162335 SQDHMBNCPFNXSY-UHFFFAOYSA-N 304.271 4.439 0 30 DIAC CC(C)OC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5760792 HVUJPGRBJNSQCB-SSDOTTSWSA-N 311.592 4.366 0 30 DIAC CN(C)CCCOC12CCC(c3ccccc31)c1ccccc12 96332005 QBSVQVPJOWMADN-UHFFFAOYSA-N 307.437 4.138 0 30 DIAC C[C@]1(O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 4370124 BRQAXEKVGOTNJM-FGSPNWDHSA-N 300.442 4.045 0 30 DIAC C[C@H]1N(CC(=O)c2ccccc2)CCC[C@]1(C)c1cccc(O)c1 522 XMSWGYQEWPUOKA-IERDGZPVSA-N 323.436 4.017 0 30 DIAC in-man Cc1nc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cs1 121362 CAWLWNQPCBZQGV-UHFFFAOYSA-N 311.288 4.187 0 30 DIAC CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 96030437 IOLODVBMNDJVOP-CVUKVCBQSA-N 304.474 4.349 0 30 DIAC in-vitro c1ccc([C@@H]2N[C@@H](c3ccccc3)N[C@@H]2c2ccccc2)cc1 245224350 VJWNWMOGJOGCRF-AERCQKQUSA-N 300.405 4.361 0 30 DIAC CC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccco1 117153 FBLGILLOEDSYHG-UHFFFAOYSA-N 311.362 4.463 0 30 DIAC COc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 124212 YGMNPZZRWZOONH-UHFFFAOYSA-N 317.694 4.341 0 30 DIAC C=C[C@](C)(O)CC[C@]1(C)C2=CCC[C@H](C(=O)OC)[C@@H]2CC[C@H]1C 263589681 PFITUPZAWFVJGH-MWTROVGWSA-N 320.473 4.265 0 30 DIAC O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)[nH]1)C(F)(F)F 725712231 JHTIFFNTDJIYHQ-UHFFFAOYSA-N 307.193 4.446 0 30 DIAC CCc1nc2cc(NC(=S)Nc3ccc(C)cc3)ccc2[nH]1 51011897 PHCXWAZTDWZKSZ-UHFFFAOYSA-N 310.426 4.243 0 30 DIAC COc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)c(OC)c1 160534 PRXYEBPSTONXNU-UHFFFAOYSA-N 312.394 4.219 0 30 DIAC CCCCOP(=O)(OCCCC)OCCN1CCCCC1 5553064 VIBDOPJSVIALMP-UHFFFAOYSA-N 321.398 4.230 0 30 DIAC Cc1ccc(SC(=O)c2c(C)noc2-c2cc(C)on2)cc1 122280 KYDUJTWWFCHEAT-UHFFFAOYSA-N 314.366 4.187 0 30 DIAC Cc1cc(Br)ccc1[C@H](C)NC(=O)OC(C)(C)C 1529596233 ANJGLIPDEKZXIW-JTQLQIEISA-N 314.223 4.343 0 30 DIAC Nc1ccccc1NC(=S)Nc1c(Cl)cccc1Cl 72523 XCHDDZJCGSIINK-UHFFFAOYSA-N 312.225 4.385 0 30 DIAC N#Cc1ccc(NN=Cc2ncc(C(F)(F)F)cc2Cl)cc1 254297349 PBUKUYKVEYJVAK-UHFFFAOYSA-N 324.693 4.071 0 30 DIAC O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccccc1 145383094 KEOYVANAKHOAIR-UHFFFAOYSA-N 324.767 4.151 0 30 DIAC in-vitro CCC1(CC)C=CN(c2cccc(C(F)(F)F)c2)C(=S)N1 110199 RYTUCRQQFWQDIR-UHFFFAOYSA-N 314.376 4.472 0 30 DIAC CC(=NOCCOc1ccccc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 4091548 HPJNVMVOTIKLBE-RBUKOAKNSA-N 313.372 4.401 0 30 DIAC O=C(ON=C1CCCc2c1[nH]c1ccccc21)C1CCCCC1 254506254 RUSOMAPXZXCCGO-UHFFFAOYSA-N 310.397 4.332 0 30 DIAC CCCc1cc(=O)n2c(-c3ccc(Cl)cc3)csc2n1 93737 OITJSZVCARNQLX-UHFFFAOYSA-N 304.802 4.029 0 30 DIAC CC(=NOCCOc1ccccc1)[C@H]1C[C@H]1c1ccc(F)cc1 4091557 HPJNVMVOTIKLBE-MOPGFXCFSA-N 313.372 4.401 0 30 DIAC Cc1ccc(I)cc1Cc1cccs1 168974138 HRHGHJMMMKWHEJ-UHFFFAOYSA-N 314.191 4.252 0 30 DIAC O=C(C1CC1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 106720 RJGSCKOJCQHSQB-MRXNPFEDSA-N 317.841 4.286 0 30 DIAC Cc1ccc(Sc2ncccc2NC(=O)c2ccco2)cc1 84091 IPLXYRWSVZDXIW-UHFFFAOYSA-N 310.378 4.387 0 30 DIAC Cc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1 124075 LNTRXVQPDZRSAH-UHFFFAOYSA-N 306.152 4.414 0 30 DIAC CC(=O)Nc1ccc(CNC[C@@H](C)c2cccc(Cl)c2)cc1 187635304 JRQMRVVDJCQDSB-CYBMUJFWSA-N 316.832 4.192 0 30 DIAC C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265352085 QAAQQTDJEXMIMF-HCAKDQDKSA-N 318.501 4.307 0 30 DIAC C[C@H](N)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2265351327 DMANVUPVHRRYIP-JLCOGKTCSA-N 319.533 4.353 0 30 DIAC CC(C)(C)C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 12366681 JRIMIJWKAMILOY-UHFFFAOYSA-N 310.441 4.376 0 30 DIAC [C-]#[N+]c1ccc(Br)cc1C(=O)c1ccccc1F 95698008 VGYQEWHCBYCJQV-UHFFFAOYSA-N 304.118 4.370 0 30 DIAC Fc1ccccc1-c1nnc(-c2ccccc2OC(F)(F)F)o1 122524 AYNSAGISZQCAGA-UHFFFAOYSA-N 324.233 4.441 0 30 DIAC O=C(C[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 2579653 XQKZBVGBIMPIMD-AAEUAGOBSA-N 314.303 4.169 0 30 DIAC Brc1cccc(Br)c1-n1cccc1 81200935 DFSHJVXKRFBSOG-UHFFFAOYSA-N 300.981 4.002 0 30 DIAC CC[C@@H](C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl 1850269 KOCPUBZALOBLTB-SSDOTTSWSA-N 311.592 4.367 0 30 DIAC CC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 96030438 IOLODVBMNDJVOP-WMVVBCLPSA-N 304.474 4.349 0 30 DIAC in-vitro O=C1OC2(c3ccccc3Oc3ccccc32)c2ccccc21 5887320 FWQHNLCNFPYBCA-UHFFFAOYSA-N 300.313 4.255 0 30 DIAC in-vitro Cc1noc(C)c1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 112175 INHRXOGVWFTTMA-UHFFFAOYSA-N 309.247 4.027 0 30 DIAC O=C1CS[C@@H](c2cc3ccccc3o2)N1c1ccc(F)cc1 102559 CRTOVTIUNCRWLE-KRWDZBQOSA-N 313.353 4.351 0 30 DIAC Brc1ccc2c(c1)CCC21SCCCS1 15042561 VHVMUPUNPLSEFQ-UHFFFAOYSA-N 301.274 4.418 0 30 DIAC O=c1c(-c2ccccc2)c(O)c2cccc3c4c(n1c23)CCCC4 78768 DYPFPPGNJPPASW-UHFFFAOYSA-N 315.372 4.142 0 30 DIAC Nc1c(Cl)cc(-c2noc(-c3cccs3)n2)cc1Cl 109459 ALWGSUVHWRMHHW-UHFFFAOYSA-N 312.181 4.354 0 30 DIAC CC(=NOC(=O)c1cccs1)[C@H]1C[C@H]1c1ccc(F)cc1 4091544 INXOPCBIJBXJMF-KGLIPLIRSA-N 303.358 4.224 0 30 DIAC Cc1ccc(N2NC(c3ccccc3)=NN2c2ccccc2)cc1 60003851 IXNKNVCYDIVHSA-UHFFFAOYSA-N 314.392 4.103 0 30 DIAC Cc1onc(-c2ccccc2)c1NC(=O)N(C)C1CCCCC1 155777 NIKCZCISJOOLKO-UHFFFAOYSA-N 313.401 4.446 0 30 DIAC Cc1cc(C)c2cc(C(=O)N(C)c3ccc(F)cc3F)[nH]c2c1 171595 HYJKFUNZXZGIRE-UHFFFAOYSA-N 314.335 4.340 0 30 DIAC Cc1c(/C=C/C(=O)Nc2nccs2)sc2ccccc12 172449 GIGLZPLSVGYSRJ-VOTSOKGWSA-N 300.408 4.318 0 30 DIAC CCCC[C@H](CC)CNC(C)(C)COC(=O)c1ccc(N)cc1 1995948 SJLHLXQNKNOACS-HNNXBMFYSA-N 320.477 4.010 0 30 DIAC COc1ccc(NC(=O)c2cc3ccccc3cc2O)c(C)c1 2510343 BPLTYDPIHLNUAR-UHFFFAOYSA-N 307.349 4.115 0 30 DIAC Clc1ccc(C=NNc2nc(Cl)nc3ccccc23)cc1 13136499 JMOVBXPAWPPNLK-UHFFFAOYSA-N 317.179 4.383 0 30 DIAC aggregator CN1C(=O)SC(=Cc2cccc(Oc3ccccc3)c2)C1=O 2265279747 JCOFCSJCDGGJMA-UHFFFAOYSA-N 311.362 4.145 0 30 DIAC CC(=O)Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl 2013725 JCHPXNSTFVJJLN-UHFFFAOYSA-N 309.196 4.125 0 30 DIAC CCCCCC[C@H](O)C[C@@H]1O[C@@H]1CCCCCCCC(=O)O 146757699 YKVUWOJSBYPADP-BBWFWOEESA-N 314.466 4.291 0 30 DIAC O=C(Sc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1 4324205 ZCUUXEHONKWJQR-UHFFFAOYSA-N 318.707 4.081 0 30 DIAC C[C@]1(O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13467456 BRQAXEKVGOTNJM-XUFBONQXSA-N 300.442 4.045 0 30 DIAC biogenic Cn1nc(C(C)(C)C)cc1C(=O)Sc1ccc(Cl)cc1 127843 BSZNENUGXRFHAE-UHFFFAOYSA-N 308.834 4.304 0 30 DIAC O=C(Nc1nnc(C2CC2)s1)c1cc(Cl)sc1Cl 147177 KIOOKFDTDZDCCY-UHFFFAOYSA-N 320.226 4.036 0 30 DIAC Cc1noc(C)c1-c1nc(-c2c(Cl)cccc2Cl)no1 114284 YFSFBDGMWMQJOF-UHFFFAOYSA-N 310.140 4.315 0 30 DIAC O=C(C[C@H]1OC(=O)c2ccccc21)c1cc(Cl)ccc1Cl 98444 LFCDQZLQKOFSPV-OAHLLOKOSA-N 321.159 4.478 0 30 DIAC C[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 13466073 IHOCMMNKJAUECF-HXUWFJFHSA-N 308.790 4.029 0 30 DIAC Cc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c(C)c1 91581 LNGPFUXZZUNYMX-UHFFFAOYSA-N 319.195 4.253 0 30 DIAC CCCCN1CCC[C@@H](OC(=O)Nc2c(C)cccc2Cl)C1 2010698 SUGBVZMJIRBHEZ-CQSZACIVSA-N 324.852 4.461 0 30 DIAC O=C(COC(=O)c1c(Cl)cccc1Cl)c1ccccc1 72744 XFRYTQIGUNCTDE-UHFFFAOYSA-N 309.148 4.033 0 30 DIAC CCCN(CCC)C(=O)c1cccc2c1-c1ccccc1C2=O 133588 JVRPUWLOQZFNOG-UHFFFAOYSA-N 307.393 4.160 0 30 DIAC OC[C@@H](Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1 206012721 BAPLXNYCJNONLN-JOCHJYFZSA-N 317.432 4.047 0 30 DIAC CC(C)[C@H](N)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 59428677 ONAIHTVWYKLCMF-HNNXBMFYSA-N 305.462 4.153 0 30 DIAC O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCc2ccccc2O1 82341 DEMWANOKGOTRRL-OAHLLOKOSA-N 322.191 4.326 0 30 DIAC CC1(C)C=Cc2cc(-c3cc(=O)c4ccccc4[nH]3)ccc2O1 953107683 KMPMTUAIRUTAJB-UHFFFAOYSA-N 303.361 4.379 0 30 DIAC COc1cccc2cc([C@@](C)(O)c3ccc(Cl)cc3)oc12 2021880 WBPICCPEFYYUAY-KRWDZBQOSA-N 302.757 4.351 0 30 DIAC O=C(c1cccn1Cc1cccs1)C(Cl)(Cl)Cl 98095604 QLXQRQZIVQRFEE-UHFFFAOYSA-N 308.617 4.151 0 30 DIAC Cc1nc(-c2ccccn2)nc(N(C)Cc2ccccc2)c1Cl 108766 OLXMMONMZJCVPR-UHFFFAOYSA-N 324.815 4.137 0 30 DIAC CCc1cccc(C)c1NC(=O)c1cnccc1C(F)(F)F 77758 WMTAATOFNATSQC-UHFFFAOYSA-N 308.303 4.224 0 30 DIAC Cc1ccc(OC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 109983 HWVVEWNZEAKFSL-UHFFFAOYSA-N 306.365 4.017 0 30 DIAC O[C@](CCc1ccccc1)(CCN1CCCCC1)c1ccccc1 4141805 GQPXHWUIIKRGPJ-JOCHJYFZSA-N 323.480 4.383 0 30 DIAC Cc1noc(-c2ccccc2)c1NC(=O)NCc1cccs1 129763 ODIGUVAPXYQPMO-UHFFFAOYSA-N 313.382 4.033 0 30 DIAC CCCCC[C@@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)O 12496461 CQSLTKIXAJTQGA-RIDHJDLKSA-N 314.466 4.050 0 30 DIAC endogenous,in-man CCCCc1c(O)c2cccc3c4c(n(c1=O)c23)CC[C@@H](C)C4 100294475 BAMOSLXACRGYPO-GFCCVEGCSA-N 309.409 4.064 0 30 DIAC Clc1ccc(-c2noc([C@@H]3CCc4ccccc4O3)n2)cc1 82356 NLNRWCMVHOVJIE-HNNXBMFYSA-N 312.756 4.456 0 30 DIAC O=C(C[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccc1C(F)(F)F 91676153 LDUOFKAZKGAMHJ-QWRGUYRKSA-N 314.303 4.169 0 30 DIAC Cc1ccc(CSc2nnc(Cc3ccsc3)n2C)cc1 4394459 PNUUHXCYDOKBBW-UHFFFAOYSA-N 315.467 4.068 0 30 DIAC O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC=CCC1 145406 PMPFBYUSMCNLJL-UHFFFAOYSA-N 323.236 4.126 0 30 DIAC CN1C(=O)[C@](Cc2ccccc2)(c2ccccc2)c2ccccc21 1041027 RVQJSHAQTZXWAJ-JOCHJYFZSA-N 313.400 4.192 0 30 DIAC CC(C)n1cc(CCNC(=O)c2ccccc2F)c2ccccc21 888104010 UGKCGOSOHXPDDE-UHFFFAOYSA-N 324.399 4.334 0 30 DIAC O=S(=O)(Cc1c(F)cccc1Cl)c1ccc(Cl)cc1 138965 LGOPGKVAXUKDJR-UHFFFAOYSA-N 319.184 4.106 0 30 DIAC O=C(Nc1ccccc1F)Nc1ccccc1N1CCCCC1 155431 RPPKURVOLUUZJI-UHFFFAOYSA-N 313.376 4.460 0 30 DIAC O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(Cl)cc1 106343 SPPWFOQHHCMIFO-UHFFFAOYSA-N 315.785 4.111 0 30 DIAC COc1ccc(CCc2cc(OC)c3ccccc3n2)cc1OC 13209471 XYXVQWAPEQXRET-UHFFFAOYSA-N 323.392 4.046 0 30 DIAC biogenic O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc2ccccc2c1 99154 DZPNNNDCGULPOA-IBGZPJMESA-N 302.329 4.324 0 30 DIAC CCCCCC[C@@H](C)O[S@@](=O)(=S)c1ccc(C)cc1 100293461 WCVKHTFTNOORGH-AUUYWEPGSA-N 300.489 4.391 0 30 DIAC CCCCCCCCCCCC[C@H](O)CSCC(=O)O 111897038 QVLFKHLAOKXTEM-HNNXBMFYSA-N 304.496 4.476 0 30 DIAC CC[C@H](C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl 1850271 KOCPUBZALOBLTB-ZETCQYMHSA-N 311.592 4.367 0 30 DIAC OC(COc1ccc(F)cc1)(c1ccccc1)c1ccccc1 84946 QDPAPVHMMIFCLF-UHFFFAOYSA-N 308.352 4.141 0 30 DIAC COc1ccc2[nH]c(C(=O)Nc3ccccc3Cl)cc2c1 114530 DGKUOENXHCVUGQ-UHFFFAOYSA-N 300.745 4.082 0 30 DIAC CCCCCC(=O)Nc1nc2c(s1)CCc1ccccc1-2 4336132 QEKXZPWIMPMBNO-UHFFFAOYSA-N 300.427 4.428 0 30 DIAC O=S(=O)(Cc1c(Cl)cccc1Cl)c1cccs1 125148 IVESRAPFPUAKEL-UHFFFAOYSA-N 307.223 4.029 0 30 DIAC O=C(Nc1cc(Cl)cc(Cl)c1)NC1Cc2ccccc2C1 171395 GKXIIRWKBJUGGA-UHFFFAOYSA-N 321.207 4.282 0 30 DIAC COC(=O)c1ccsc1NC(=O)c1ccc(C(C)(C)C)cc1 115876 CEBKNZKCDFHNFI-UHFFFAOYSA-N 317.410 4.085 0 30 DIAC Clc1ccc(CSC2=NN[C@H](c3ccccn3)S2)cc1 4365823 WYHSUJVXWKALFN-ZDUSSCGKSA-N 321.858 4.274 0 30 DIAC CC(C)OC(=O)CCCCCCCCCC(=O)OC(C)C 33610189 GCRTUVFYDATJEY-UHFFFAOYSA-N 300.439 4.401 0 30 DIAC CSc1ccccc1NC(=O)Nc1ccc2nsnc2c1 12340898 NSPMOFQAWDCIHU-UHFFFAOYSA-N 316.411 4.057 0 30 DIAC CC1(C)Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2O1 129919 MSCKNKNRZZJQDU-UHFFFAOYSA-N 319.763 4.445 0 30 DIAC Nc1ccc(C(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 135981 MAIADPFQYQKTLE-UHFFFAOYSA-N 305.333 4.280 0 30 DIAC Cc1nc(C(F)(F)F)c(C(=O)Sc2ccccc2)s1 127641 CNTPRWOKFOVCCZ-UHFFFAOYSA-N 303.330 4.403 0 30 DIAC O=C(c1ccc(C(F)(F)F)cc1)n1ccc(-c2cccs2)n1 156411 ZPDMKGBIRJXIOU-UHFFFAOYSA-N 322.311 4.319 0 30 DIAC CCN(CC)CCCN1C(=O)c2ccccc2Nc2ccccc21 2037994 OJTXPGCWXBTARX-UHFFFAOYSA-N 323.440 4.122 0 30 DIAC CC(C)(C)OC(=O)c1nsc2cc(Br)ccc12 40434568 ULLIEAKUNMXLAM-UHFFFAOYSA-N 314.204 4.014 0 30 DIAC O=C(C[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1C(F)(F)F 2579651 LDUOFKAZKGAMHJ-MNOVXSKESA-N 314.303 4.169 0 30 DIAC Clc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 141039 AOAQSUXMHOBCDJ-UHFFFAOYSA-N 322.755 4.447 0 30 DIAC CCCCCC[C@H](O)C[C@@H]1O[C@H]1CCCCCCCC(=O)O 33986120 YKVUWOJSBYPADP-ULQDDVLXSA-N 314.466 4.291 0 30 DIAC CCCSc1nnc(C)c(C=CNc2ccc(Cl)cc2)n1 2265276862 BUZOJPYSFJFREV-UHFFFAOYSA-N 320.849 4.418 0 30 DIAC Nc1cc(C2CC2)nn1-c1c(Cl)cc(Cl)cc1Cl 166063 HYYZFKRYBHGBSO-UHFFFAOYSA-N 302.592 4.292 0 30 DIAC COc1ccc(C(C=C(SC)SC)=C(C#N)C#N)cc1 2170016 WVABQQMDNXREEH-UHFFFAOYSA-N 302.424 4.063 0 30 DIAC N[C@H](c1ccccc1)[C@H]1C[C@@H]1c1ccccc1Br 1536221785 CGOHIGWGKPRKKI-IJEWVQPXSA-N 302.215 4.253 0 30 DIAC O=C(O[C@H]1CCCCc2cccnc21)c1ccc(Cl)cc1 172553 CEUKOSAGSSSYKZ-HNNXBMFYSA-N 301.773 4.360 0 30 DIAC Cc1c(O)c(C)c2sc(Nc3ccc(O)cc3)nc2c1C 39127718 ODORHDHYWDTZTF-UHFFFAOYSA-N 300.383 4.376 0 30 DIAC Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2[nH]ccc2c1 155230 TZDXPFCHLMYIIN-UHFFFAOYSA-N 317.348 4.384 0 30 DIAC FC(F)(F)c1ccnc(Oc2ccc(C3=NCCS3)cc2)c1 122008 JRPIYUDMHQNLSC-UHFFFAOYSA-N 324.327 4.386 0 30 DIAC O=C(O)c1oc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O 607717003 QINOJGVGYUNQIT-UHFFFAOYSA-N 308.289 4.010 0 30 DIAC Cc1ccc(C2(c3ccc(C)cc3)OC(=O)N[C@@H]2C(C)C)cc1 96330668 CPFFOFLRPBYLSN-GOSISDBHSA-N 309.409 4.311 0 30 DIAC CCC(C(=O)N1CCC[C@H]1C)(c1ccccc1)c1ccccc1 3608599 DWIZRPDYYVIEIV-QGZVFWFLSA-N 307.437 4.394 0 30 DIAC CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O1 84880 SFCWHFUCGPFTBB-UHFFFAOYSA-N 300.329 4.149 0 30 DIAC C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253647161 QAAQQTDJEXMIMF-SSEXRTCUSA-N 318.501 4.307 0 30 DIAC COC(=O)C[C@H]1CC[C@H](c2ccc(-c3ccc(N)cn3)cc2)CC1 1774020958 RNGXSJZCLPHBGH-SHTZXODSSA-N 324.424 4.168 0 30 DIAC CC(=O)c1sc(C(=O)O)c(-c2ccco2)c1-c1ccco1 108412 BURWBYBJXHFOQS-UHFFFAOYSA-N 302.307 4.169 0 30 DIAC COc1ccc(SCCc2nnc(-c3ccccc3)o2)cc1 153079 KMLLHYSYPRQBKG-UHFFFAOYSA-N 312.394 4.080 0 30 DIAC COc1ccc(CNC(=O)Nc2cc(SC)ccc2C)cc1 171304 HEXLJCDTEHEREL-UHFFFAOYSA-N 316.426 4.047 0 30 DIAC CCCCOP(=O)(O[C@H](C#N)CCC)O[C@H](C#N)CCC 33867900 FEFCSDMBHZAGJM-KBPBESRZSA-N 316.338 4.329 0 30 DIAC CCc1cccc(CC)c1C(=O)Nc1cccc2c1CCN(C)C2 31597565 YBAXILSHGYLEHM-UHFFFAOYSA-N 322.452 4.052 0 30 DIAC Cc1noc(C)c1C(=O)Sc1cccc(C(F)(F)F)c1 126742 PJPKLBMSZBCHAU-UHFFFAOYSA-N 301.289 4.243 0 30 DIAC CCOC(=O)c1c(C)noc1-c1ccc(Cl)cc1Cl 39119913 BKOLUNDFCQVRBV-UHFFFAOYSA-N 300.141 4.134 0 30 DIAC CNc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 144230 RGOKGZCGPOFYFI-AAEUAGOBSA-N 308.853 4.326 0 30 DIAC S=c1[nH]nc(-c2cccc3ccccc23)n1Cc1ccco1 158405 DZJWQPXUCPWEBC-UHFFFAOYSA-N 307.378 4.402 0 30 DIAC O=C(c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 6095762 YTURLADWFKSLFZ-UHFFFAOYSA-N 304.393 4.188 0 30 DIAC CC(C)(C)C1=NN(c2nc3ccc(Cl)cc3s2)C(=O)C1 107052 PZAXHXFHBHHFNG-UHFFFAOYSA-N 307.806 4.089 0 30 DIAC CCCCOP(=O)(O[C@@H](C#N)CCC)O[C@@H](C#N)CCC 33867902 FEFCSDMBHZAGJM-ZIAGYGMSSA-N 316.338 4.329 0 30 DIAC CC[C@@H](C)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 33638738 IFRYPSDRUFLKRK-NXEZZACHSA-N 305.201 4.350 0 30 DIAC Clc1ccc2c(c1)C=Cc1cccnc1C2=C1CCNCC1 34743575 DSDQPELJDBELOW-UHFFFAOYSA-N 308.812 4.404 0 30 DIAC in-vitro COc1ccccc1C1CCN(C(=O)c2ccccc2C)CC1 83415 GBLKVSLOHWFDOE-UHFFFAOYSA-N 309.409 4.023 0 30 DIAC CCCCn1c(CCN)nc2cc(-c3ccccc3OC)ccc21 2265384927 HUOYASSXGIMAQS-UHFFFAOYSA-N 323.440 4.013 0 30 DIAC C[C@@H]1CC(C)(C)C[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 74350 YWSVJDGUFNFHIX-XIKOKIGWSA-N 319.832 4.436 0 30 DIAC Sc1nnc(-c2ccccc2)nc1Cc1ccc(Cl)cc1 96347118 XZLBLIPXTSMLDP-UHFFFAOYSA-N 313.813 4.072 0 30 DIAC Cc1nc(-c2ccccn2)nc(NCCc2ccccc2)c1Cl 108774 HIUOABSWQSUEGK-UHFFFAOYSA-N 324.815 4.155 0 30 DIAC in-vivo CN(CCN(C)c1cccc(Br)c1)c1ccccc1 32143263 XTHCWAIBXLNWBI-UHFFFAOYSA-N 319.246 4.022 0 30 DIAC Cc1ccc2[nH]c(=S)n(-c3ccccc3C(C)C)c(=O)c2c1 98749 YYENCKONFYEPJN-UHFFFAOYSA-N 310.422 4.480 0 30 DIAC O=c1c(-c2ccccc2)c(O)[nH]c2cc(Cl)c(Cl)cc12 87771 PXBMGCGBUZNOQN-UHFFFAOYSA-N 306.148 4.208 0 30 DIAC CC(C)c1cnn2c(NCc3ccccc3)cc(Cl)nc12 115991311 DPLYAMCNFUJBLH-UHFFFAOYSA-N 300.793 4.118 0 30 DIAC COc1ccc2c(c1)C=C([N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)O2 2001755 KXUIEPMQAMYTMI-MRXNPFEDSA-N 317.728 4.100 0 30 DIAC O=C(c1ccc(-c2cc(F)c(Cl)c(F)c2)[nH]1)C(F)(F)F 254286846 HAIGWRPFNIKKQB-UHFFFAOYSA-N 309.621 4.358 0 30 DIAC Cc1cc(NC(=O)/C(=C/c2cccs2)c2ccsc2)no1 108077 MNOSJKOEISMCKJ-MDWZMJQESA-N 316.407 4.285 0 30 DIAC CCCCCC[C@@H](C)NCC(C)(C)OC(=O)c1ccc(N)cc1 1855299 XLLDVDLJZBMTND-OAHLLOKOSA-N 320.477 4.153 0 30 DIAC C[C@@]1(c2ccccc2)Cc2cc(O)c(Cl)c(Cl)c2C1=O 6067379 FNKRIDAPUUDBPN-INIZCTEOSA-N 307.176 4.396 0 30 DIAC CC(=NOc1nc(C)cc(C)n1)c1ccc(Cl)cc1Cl 254431874 DCDBZQCFKRGKQV-UHFFFAOYSA-N 310.184 4.203 0 30 DIAC CCNc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 12339480 KBSWTSKZNGKXDE-UHFFFAOYSA-N 316.360 4.072 0 30 DIAC O=C(O)c1ccccc1CSc1ccc(C(F)(F)F)cn1 69914 PLQKQLSZPHOUBM-UHFFFAOYSA-N 313.300 4.091 0 30 DIAC O=C(Oc1ccc(C2=NCCS2)cc1)c1ccccc1Cl 119944 GLKXOLCLAVVCEC-UHFFFAOYSA-N 317.797 4.053 0 30 DIAC Cc1cc2nc(-c3ccc4c(c3)CCC4)cc(C(F)(F)F)n2n1 171439 MQDAOKMOAPNHJY-UHFFFAOYSA-N 317.314 4.212 0 30 DIAC O=C1CC2(CCCC2)CC(=O)N1Cc1csc2ccccc12 4371452 QFNGLBLAYCJCMF-UHFFFAOYSA-N 313.422 4.111 0 30 DIAC CC(C)(C)OC(=O)N[C@H]1CC=C(c2c[nH]c3ncccc23)CC1 144242604 MHKDXNXKIOMDMX-ZDUSSCGKSA-N 313.401 4.024 0 30 DIAC NC(=S)Nc1csc(C(F)(F)F)c1-c1ccccc1 108969 SNSIQNMHLBKVOD-UHFFFAOYSA-N 302.346 4.089 0 30 DIAC CC(C)(C)OC(=O)N1CCCc2cc(C(F)(F)F)ccc21 96032710 CGUMFDBCNFUJQA-UHFFFAOYSA-N 301.308 4.393 0 30 DIAC CCN(CC)CCN(C)CC1c2ccccc2Oc2ccccc21 20413572 BZGFBMZTCFGEOL-UHFFFAOYSA-N 324.468 4.198 0 30 DIAC CSc1ccc(C(=O)[C@@H]2CC[C@@](C)(C(=O)O)C2(C)C)cc1 33605106 XWTSRBQUGSDXQQ-GUYCJALGSA-N 306.427 4.118 0 30 DIAC CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H](c1ccccc1)c1ccccc1N)C2 103270198 KZFDKINRISJFCO-OOSNJVJTSA-N 322.452 4.000 0 30 DIAC FC(F)(F)c1ccccc1-n1nnnc1-c1ccccc1Cl 77818 GPAMNNOEWUKZDF-UHFFFAOYSA-N 324.693 4.002 0 30 DIAC COC(=S)SCc1ccc(CSC(=S)OC)cc1 1995824 CAIJEQKSVNIRBG-UHFFFAOYSA-N 318.510 4.016 0 30 DIAC CCCCN1CCC[C@H](OC(=O)Nc2c(C)cccc2Cl)C1 2010677 SUGBVZMJIRBHEZ-AWEZNQCLSA-N 324.852 4.461 0 30 DIAC COc1ccc(-c2n[nH]c3c(C(F)(F)F)cccc23)c(OC)c1 90528278 XUKSJOBSGNPSNL-UHFFFAOYSA-N 322.286 4.266 0 30 DIAC C[C@@H](N)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 38482552 DMANVUPVHRRYIP-XFHAOOBSSA-N 319.533 4.353 0 30 DIAC CNc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 144229 RGOKGZCGPOFYFI-DGCLKSJQSA-N 308.853 4.326 0 30 DIAC O=C(O)/C(=C\C1CCCCC1)c1ccc(Br)cc1 90677796 XRRNSLGIOAJLKB-UVTDQMKNSA-N 309.203 4.497 0 30 DIAC O=C(Nc1ccc(Cl)c(Cl)c1)n1ccc(C(F)(F)F)n1 117281 RSOLXNSIMCKZFI-UHFFFAOYSA-N 324.089 4.289 0 30 DIAC COC(=O)c1c(C(C)C)nc2[nH]ccc2c1-c1ccc(F)cc1 34424191 BLBRGOAYSNAIDU-UHFFFAOYSA-N 312.344 4.279 0 30 DIAC N=C(N)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 34958718 ISKNANIZAHMDKO-UHFFFAOYSA-N 309.196 4.051 0 30 DIAC C=C[C@](C)(O)CC[C@]1(C)C2=CCC[C@H](C(=O)OC)[C@@H]2CC[C@@H]1C 263589682 PFITUPZAWFVJGH-UKSSEWCLSA-N 320.473 4.265 0 30 DIAC O=C(NCc1ccco1)Nc1ccc(OCc2ccccc2)cc1 146736 JCUZXKVXTXUHCS-UHFFFAOYSA-N 322.364 4.180 0 30 DIAC CCCCC1=CC(C)(C)N(C(=O)CN(CC)CC)C(C)(C)C1 5820067 PHQBGRRDAYJMCR-UHFFFAOYSA-N 308.510 4.234 0 30 DIAC Cc1cc(NCCO)ccc1/N=N/c1cc(Cl)ccc1C#N 111492685 IXOXJFDILDBSDX-QZQOTICOSA-N 314.776 4.340 0 30 DIAC Nc1ccccc1SCc1nc(-c2ccc(Cl)cc2)no1 138008 WMESLCACTLPGTE-UHFFFAOYSA-N 317.801 4.265 0 30 DIAC CCOC(=O)c1nc(C)nc(Sc2ccc(Cl)cc2)c1C 127551 UGCFORACENSOLK-UHFFFAOYSA-N 322.817 4.075 0 30 DIAC CCOc1ccccc1NC(=O)Oc1ccc(F)cc1Cl 166829 HZTNZEKYXDTMEZ-UHFFFAOYSA-N 309.724 4.489 0 30 DIAC CC(C)(C)c1ccc(C(=O)OCc2ccc3c(c2)OCO3)s1 171690 YKOREFRXTRJRGO-UHFFFAOYSA-N 318.394 4.131 0 30 DIAC FC(F)(F)c1nnc2scc(-c3ccc(Cl)cc3)n12 120429 YWHVGVICIGFOCQ-UHFFFAOYSA-N 303.696 4.130 0 30 DIAC CC(=O)c1sc(-c2ccccc2)cc1NC(=O)C(F)(F)F 81856 FHEZRORXGJFAIV-UHFFFAOYSA-N 313.300 4.119 0 30 DIAC COc1cc2ncnc(Sc3ccc(C)cc3)c2cc1OC 116419 QWSGISSWTYGSSD-UHFFFAOYSA-N 312.394 4.107 0 30 DIAC Cc1ccc(C=CNC(=O)NCc2cccc(Cl)c2)cc1 2265270060 HNULIOCQOZNLQO-UHFFFAOYSA-N 300.789 4.119 0 30 DIAC N[C@H](c1ccccc1)[C@H]1C[C@H]1c1ccccc1Br 1536221788 CGOHIGWGKPRKKI-OFQRWUPVSA-N 302.215 4.253 0 30 DIAC ON=Cc1c(SCc2cccc(Cl)c2)nc2sccn12 263628294 CVYKMOAWMRJRJB-UHFFFAOYSA-N 323.830 4.150 0 30 DIAC CCCOC(=Nc1ccc(Cl)cc1Cl)c1cncn1C 254737026 WGDVMPRBKHEJGA-UHFFFAOYSA-N 312.200 4.232 0 30 DIAC Cc1cccc(CSc2ccccc2C2=NCCCN2)c1F 139287 FACHYGKITVNQLZ-UHFFFAOYSA-N 314.429 4.166 0 30 DIAC C[C@H]1CN(c2nc3c(Cl)cc(Cl)cc3s2)C[C@@H](C)O1 13468885 FFVLNQJCQNJHDD-OCAPTIKFSA-N 317.241 4.217 0 30 DIAC O=C(NC=Cc1ccco1)OCc1ccc(Cl)cc1Cl 2265278913 WVASQPZPESGBRO-UHFFFAOYSA-N 312.152 4.484 0 30 DIAC CSc1nccc(-c2c(-c3ccc(Cl)cc3)noc2C)n1 1031872 IRKRSNUUKXKIOD-UHFFFAOYSA-N 317.801 4.482 0 30 DIAC Fc1cccc(C2=N[C@H]2c2ncc(C(F)(F)F)cc2Cl)c1 1082838136 SCPPEDQTIXIMNC-CYBMUJFWSA-N 314.669 4.437 0 30 DIAC O=C(c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 174089 NEKLIGPSTUGKOR-UHFFFAOYSA-N 301.267 4.485 0 30 DIAC C[C@@H]1N(CC(=O)c2ccccc2)CCC[C@]1(C)c1cccc(O)c1 5752294 XMSWGYQEWPUOKA-KKSFZXQISA-N 323.436 4.017 0 30 DIAC in-man CC[C@H](C)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 33638742 IFRYPSDRUFLKRK-UWVGGRQHSA-N 305.201 4.350 0 30 DIAC COc1cc(Br)cc(C=Nc2ccc(F)cc2)c1O 254423274 LNJWIBREDXCBRL-UHFFFAOYSA-N 324.149 4.053 0 30 DIAC CN1CCC[C@H](CN2c3ccccc3Sc3cccnc32)C1 28821638 RMNGITPGXJLUBV-AWEZNQCLSA-N 311.454 4.026 0 30 DIAC CCCCCCOC(=O)CCCC(=O)OCCCCCC 5511794 GXFXLHQQYQDXKC-UHFFFAOYSA-N 300.439 4.404 0 30 DIAC CCCCN1[C@H](C(=O)N(C)c2ccccc2C)CCC[C@H]1C 55167517 AMUZIOYYLICJKU-AEFFLSMTSA-N 302.462 4.001 0 30 DIAC O=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1cccs1 96475 CXUXMJHFOIJHQX-UHFFFAOYSA-N 307.223 4.029 0 30 DIAC CC(=NOC(=O)c1cccs1)[C@@H]1C[C@@H]1c1ccc(F)cc1 4091536 INXOPCBIJBXJMF-UONOGXRCSA-N 303.358 4.224 0 30 DIAC CC(C)OC(=O)c1cc(NC(=O)c2ccccc2)ccc1Cl 5963060 XXZDYDXEASTJNF-UHFFFAOYSA-N 317.772 4.158 0 30 DIAC CCCCCc1nc(Br)sc1Br 39121836 YKEIZCOFVYYZFB-UHFFFAOYSA-N 313.058 4.401 0 30 DIAC Cc1c(Cl)cccc1NC(=O)Nc1cc(C(C)(C)C)nn1C 148172 ZHNSKANEAYHFKN-UHFFFAOYSA-N 320.824 4.323 0 30 DIAC CC(C)(C)NC(=O)c1ncccc1CCc1cccc(Cl)c1 6262560 DYZFUWRIGTVCKS-UHFFFAOYSA-N 316.832 4.049 0 30 DIAC C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\O 14442855 WNJVMVZIGIACNN-WUQXVNGPSA-N 303.446 4.140 0 30 DIAC CC(=O)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(Cl)cc1 4335039 UMVHOYWQCVOYQO-MJGOQNOKSA-N 324.811 4.210 0 30 DIAC biogenic Cc1nc(-c2cccs2)sc1-c1ccnn1C(=O)C1CC1 121312 BAWIGCXWPJMBRV-UHFFFAOYSA-N 315.423 4.094 0 30 DIAC Cc1csc(NC(=O)c2ccco2)c1C(=O)c1ccccc1 116263 FTTBSUQKIDOZLL-UHFFFAOYSA-N 311.362 4.133 0 30 DIAC CCN(CC)CCNCc1cccc2c1sc1ccccc12 22042164 ZLFAXBARULTLLA-UHFFFAOYSA-N 312.482 4.486 0 30 DIAC Clc1ccc(Oc2ncc(Br)cn2)c(Cl)c1 67119727 OGSGGHXIEGDQEL-UHFFFAOYSA-N 319.973 4.338 0 30 DIAC Cc1ccsc1CNC(=O)Nc1ccc(C(F)(F)F)cc1 147819 OXWOTQLDNCXCNU-UHFFFAOYSA-N 314.332 4.397 0 30 DIAC O=C(NC=Cc1ccco1)OCc1ccc(C(F)(F)F)cc1 2265278833 AIMVQUHGKXAMLK-UHFFFAOYSA-N 311.259 4.196 0 30 DIAC CCC1(OC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 2265357463 WDKWRJUAIFFOII-XALSAKKGSA-N 300.442 4.347 0 30 DIAC CCN(c1cccs1)[C@@H](C(=O)OC)c1ccccc1Cl 115362091 MBGVMSAXWAGGIJ-CQSZACIVSA-N 309.818 4.142 0 30 DIAC COc1cccc(NC(=S)Nc2ccccc2-n2cccc2)c1 117722 BXMRTICBZSXSBG-UHFFFAOYSA-N 323.421 4.295 0 30 DIAC CCOC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 5854740 UHYJTDLWNOQAFE-GFCCVEGCSA-N 317.212 4.068 0 30 DIAC in-vitro C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(C)O 96030730 WRWBCPJQPDHXTJ-GAYLIBHVSA-N 304.474 4.061 0 30 DIAC in-vitro C=CCCCCCCC[C@@H]1C(=O)O[C@H]1CCc1cccnc1 215937401 WBHVHPLFRGISDD-ROUUACIJSA-N 301.430 4.473 0 30 DIAC c1ccc(-c2nsc(-n3ccc(-c4cccs4)n3)n2)cc1 66439 UZKFGROFGOQFOF-UHFFFAOYSA-N 310.407 4.119 0 30 DIAC Nc1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1 71551 QZNCGZCNYYJKNZ-UHFFFAOYSA-N 311.332 4.097 0 30 DIAC Cc1cc(C)c(C(=O)CC(=O)c2ccccc2Cl)c(O)c1 78615 PLDZLVPRRLTYPO-UHFFFAOYSA-N 302.757 4.118 0 30 DIAC C[C@H](Oc1ccccc1-c1ccccc1)c1n[nH]c(=S)n1C 163583 RGVMTGIPWBIZHT-LBPRGKRZSA-N 311.410 4.285 0 30 DIAC CN1C(=O)[C@@](Cc2ccccc2)(c2ccccc2)c2ccccc21 1041026 RVQJSHAQTZXWAJ-QFIPXVFZSA-N 313.400 4.192 0 30 DIAC Nc1ccccc1SC/C=C/CSc1ccccc1N 3169974 UCNFATXJXCQPNN-AATRIKPKSA-N 302.468 4.292 0 30 DIAC FC(F)(F)c1cccc(Nc2ncc(Br)cn2)c1 111751603 KHZQJYJQTMDKCS-UHFFFAOYSA-N 318.096 4.002 0 30 DIAC CC(C)c1ccc(I)cc1C(F)(F)F 201751115 ABELFQKEDOHTBZ-UHFFFAOYSA-N 314.088 4.433 0 30 DIAC Cc1c(O)c(C)c2sc(NC(=O)c3ccccc3)nc2c1C 39127829 OUCUOBHNOBRJKZ-UHFFFAOYSA-N 312.394 4.179 0 30 DIAC CCCCc1ccccc1-c1n[nH]c(-c2cccc(OC)c2)n1 5832411 XBYGUXKVAJQXEO-UHFFFAOYSA-N 307.397 4.490 0 30 DIAC CCOC(=O)c1csc(Cc2c(Cl)cccc2Cl)n1 120660 YUOXEPMWIAGKQT-UHFFFAOYSA-N 316.209 4.217 0 30 DIAC CC(C)(C)c1ccc(NC(=O)Nc2cccc(C(=O)O)c2)cc1 151368 SLTINGZNTJSCOW-UHFFFAOYSA-N 312.369 4.326 0 30 DIAC O=C(Oc1ccc(C2SCCS2)cc1)c1ccccc1 115626 YTROEXRMPOAKOU-UHFFFAOYSA-N 302.420 4.384 0 30 DIAC CCCCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 33607683 XDIRDPYCRAUOCD-JTQLQIEISA-N 305.201 4.494 0 30 DIAC O=C1S[C@@H](C=NOCc2ccc(Cl)cc2)c2ccccc21 254343359 XKRXGSYISDZXLY-HNNXBMFYSA-N 317.797 4.471 0 30 DIAC S=C(Nc1cccc(Cl)c1)N1CCc2ccccc2C1 67421 SWCKZURWKLLINA-UHFFFAOYSA-N 302.830 4.095 0 30 DIAC c1ccc(CSc2nccc(-c3ccc4c(c3)CCO4)n2)cc1 150013 KFWKDEZSMZJJJD-UHFFFAOYSA-N 320.417 4.371 0 30 DIAC COc1ccc(-c2ccnc(SCc3ccccc3)n2)cc1 171539 GRQYFNGWZWOMPD-UHFFFAOYSA-N 308.406 4.445 0 30 DIAC Cc1cc(C)n2c1C=C1C=CC(/C=C/c3ccccc3)=[N+]1[B-]2(F)F 199149816 HCSMCBDAQPKMBB-CMDGGOBGSA-N 322.167 4.419 0 30 DIAC CN1CC[C@H]2[C@H](C1)c1cc(Cl)ccc1N2Cc1ccccc1 536555936 CSLZACPQIWUACW-MJGOQNOKSA-N 312.844 4.148 0 30 DIAC Cc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 133400 FJXDTDJMXJBRFA-UHFFFAOYSA-N 308.402 4.495 0 30 DIAC CC(C)(C)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 166923 LSVLCUPHQXVXAO-UHFFFAOYSA-N 310.422 4.346 0 30 DIAC CCCC(=O)c1ccc(OC(=O)/C=C/c2ccc(OC)cc2)cc1 2265351710 IKRHKDCTLJKEIZ-VGOFMYFVSA-N 324.376 4.297 0 30 DIAC C[C@H]1CC[C@@](O)([C@H](C(=O)O)c2ccccc2-c2ccccc2)CC1 604936617 VLYKDRUBMSVPHF-ZRCAFCQKSA-N 324.420 4.463 0 30 DIAC O=C(Oc1ccc(C2SCCS2)cc1)c1cccs1 115630 OTRWVJGGAANGSB-UHFFFAOYSA-N 308.449 4.446 0 30 DIAC CCCCN1[C@@H](C)CCC[C@@H]1C(=O)N(C)c1ccccc1C 56958786 AMUZIOYYLICJKU-FUHWJXTLSA-N 302.462 4.001 0 30 DIAC N[C@H](c1ccccc1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 1536222103 ZDJWZQRQRKAGMB-BZUAXINKSA-N 302.215 4.253 0 30 DIAC O=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cccc12 616571268 QDTYMGUXMWZKMJ-UHFFFAOYSA-N 301.292 4.130 0 30 DIAC C[C@H](NCc1ccc(F)cc1)c1cccc(Br)c1 19943554 IKZDZDUNMICGAH-NSHDSACASA-N 308.194 4.439 0 30 DIAC CCCCOC(=O)c1ccc(OC(=O)C=Cc2ccccc2)cc1 2265241351 VVTIKXPLPUIJRJ-UHFFFAOYSA-N 324.376 4.262 0 30 DIAC CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1 139432 XMCNRUCIPMYQLI-UHFFFAOYSA-N 317.454 4.482 0 30 DIAC COc1cccc2cc([C@](C)(O)c3ccc(Cl)cc3)oc12 2021879 WBPICCPEFYYUAY-QGZVFWFLSA-N 302.757 4.351 0 30 DIAC CC[C@]1(COCc2c(Cl)cccc2Cl)COC(C)(C)O1 5924013 QWSVVDWRIYGYPD-HNNXBMFYSA-N 319.228 4.442 0 30 DIAC COc1ccc(CNC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1 2265241350 MNLPOHULLRZGRC-UHFFFAOYSA-N 323.436 4.322 0 30 DIAC CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccnc2)cc1 99476 QFTXYQMEDDHYRK-QGZVFWFLSA-N 312.438 4.158 0 30 DIAC Cc1cc(C)cc(NC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 155821 SJUNNHVPJQBBDR-CQSZACIVSA-N 323.396 4.073 0 30 DIAC CC(=O)c1c(Br)[nH]c2cc(Cl)c(Cl)cc12 90756318 SDZTVVBTDGWSKB-UHFFFAOYSA-N 306.974 4.440 0 30 DIAC Cc1cc(NC(=O)Nc2ccc(F)cc2)c(C(F)(F)F)o1 148066 IBRNOOFETVLQDR-UHFFFAOYSA-N 302.227 4.390 0 30 DIAC CC(C)(C)c1ccc(N2C(=O)C[C@H](c3ccccc3)C2=O)cc1 100208279 KFKFNVZAQIXXDZ-QGZVFWFLSA-N 307.393 4.031 0 30 DIAC CNc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 144228 RGOKGZCGPOFYFI-WCQYABFASA-N 308.853 4.326 0 30 DIAC Cc1ccc(COc2ccc(I)cc2)cc1 164908 DYFYQNMYJFAIBE-UHFFFAOYSA-N 324.161 4.179 0 30 DIAC Cc1oc(-c2ccccc2)nc1CCOc1ccc(C=O)cc1 65743414 IPWZPTYWJHXUHD-UHFFFAOYSA-N 307.349 4.084 0 30 DIAC in-vitro Cc1c(Cl)cc(C(=O)c2ccccc2C(=O)O)cc1Cl 33637612 CICYUDLNBKQJQA-UHFFFAOYSA-N 309.148 4.231 0 30 DIAC COc1ccc(NC(=S)Nc2ccccc2Cl)cc1OC 66977 AFUIDZVOPPKONT-UHFFFAOYSA-N 322.817 4.166 0 30 DIAC CSc1ccc(C(=O)[C@@H]2CC[C@](C)(C(=O)O)C2(C)C)cc1 33605107 XWTSRBQUGSDXQQ-SUMWQHHRSA-N 306.427 4.118 0 30 DIAC O=C(NCc1ccccc1F)Nc1ccccc1C(F)(F)F 171084 RZUJTCFHIBNZDA-UHFFFAOYSA-N 312.266 4.166 0 30 DIAC CCCCOC(=O)CCCOc1ccc(Cl)cc1Cl 1849822 IXXKVXJYFVAQBI-UHFFFAOYSA-N 305.201 4.496 0 30 DIAC COC(=O)Cc1cc(O)cc(C/C=C(\C)CCC=C(C)C)c1O 59586402 FJFOYRHXOZSRFV-RIYZIHGNSA-N 318.413 4.049 0 30 DIAC biogenic,in-vitro O=C1Nc2ccccc2SC1=CNc1cccc(Cl)c1 2265279207 JUATYUIPUIQTHK-UHFFFAOYSA-N 302.786 4.338 0 30 DIAC C[C@H]1CC[C@@](O)([C@@H](C(=O)O)c2ccccc2-c2ccccc2)CC1 604936616 VLYKDRUBMSVPHF-QFIXIFRTSA-N 324.420 4.463 0 30 DIAC COc1ccc([C@H]2Nc3cc(OC)ccc3-n3cccc32)cc1 155158 LBJJKESXWWPXKL-LJQANCHMSA-N 306.365 4.009 0 30 DIAC CC(C)(C)C(=O)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 76032 FERNCHDKWLTCSD-UHFFFAOYSA-N 322.714 4.053 0 30 DIAC O=C1S/C(=C/c2cccs2)C(=O)N1c1cccc(F)c1 4709294 DLGCZZODTXUUGL-XYOKQWHBSA-N 305.355 4.128 0 30 DIAC CC(C)n1cc(CCNC(=O)c2cccs2)c2ccccc21 888090792 VANIZZKURDKJJF-UHFFFAOYSA-N 312.438 4.256 0 30 DIAC CC[C@@H](O)c1cc(C)c(OCCCC(C)(C)C(=O)O)cc1C 642881700 ZKJRQVLXMARPAM-OAHLLOKOSA-N 308.418 4.017 0 30 DIAC O=C(Nc1ccc(Cl)cc1)c1cnccc1C(F)(F)F 77338 OMUDPGRKMROHMK-UHFFFAOYSA-N 300.667 4.006 0 30 DIAC CCCCC1=CC(C)(C)N(C(=O)CN2CCCCC2)C(C)(C)C1 5820069 LCUQUQYVCIRRJK-UHFFFAOYSA-N 320.521 4.378 0 30 DIAC COC(=O)c1ccc(O)c(CSc2ccc(Cl)cc2)c1 123579 UBOASHTZQJQLSD-UHFFFAOYSA-N 308.786 4.125 0 30 DIAC COc1ccc([C@@H]2C[C@H]2C(C)=NOC(=O)c2ccccc2)cc1 4013469 NFWHVKISQOCDPM-ROUUACIJSA-N 309.365 4.032 0 30 DIAC CC[C@@H](C(=O)c1ccccc1)c1ccc(OCCN(C)C)cc1 1070006001 PQSYMGVUIBWLCV-LJQANCHMSA-N 311.425 4.004 0 30 DIAC Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1 165878 FWIJKWMXNHRSRO-UHFFFAOYSA-N 306.797 4.015 0 30 DIAC in-vivo Cc1ccc(Cl)c2c(CCNC(=O)OC(C)(C)C)c[nH]c12 95616853 BRZZFGQWOVORJG-UHFFFAOYSA-N 308.809 4.197 0 30 DIAC COc1ccc2cc(CNC[C@@H]3Cc4ccccc43)ccc2c1 195651162 RDSIAVNRTGENIQ-IBGZPJMESA-N 303.405 4.278 0 30 DIAC CC(C)OC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5760799 HVUJPGRBJNSQCB-ZETCQYMHSA-N 311.592 4.366 0 30 DIAC Cc1cc(C)c2c(N)c(C(=O)c3ccccc3Cl)sc2n1 75082 BNCROEXYLVDLHZ-UHFFFAOYSA-N 316.813 4.380 0 30 DIAC CCN1CCC[C@@H]1CCOc1cc(Cl)cc(Cl)c1OC 34113211 DBARMDUSHJFUOJ-GFCCVEGCSA-N 318.244 4.255 0 30 DIAC O=C(c1ccc(F)cc1)c1c[nH]c2ccc(Br)cc12 37364181 DKCITUPWHQVXSI-UHFFFAOYSA-N 318.145 4.301 0 30 DIAC O=C(O)c1cccnc1-c1ccc(OCc2ccccc2)cc1 65349151 IXXAMZXLLKXIFZ-UHFFFAOYSA-N 305.333 4.026 0 30 DIAC Clc1ccccc1OC1CCN(Cc2ccccc2)CC1 35323133 YPYBNRKJHBOAQK-UHFFFAOYSA-N 301.817 4.383 0 30 DIAC CC(C)C[C@@H](C)OC(=O)COc1ccc(Cl)cc1Cl 33611235 ZBLQQEZPADHJIF-SNVBAGLBSA-N 305.201 4.350 0 30 DIAC Clc1cccc(C=NNc2nc(Cl)nc3ccccc23)c1 13143138 VXASNVTZUAQKMT-UHFFFAOYSA-N 317.179 4.383 0 30 DIAC aggregator CN(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2N)C1 2265352106 QODUFPZHGDTSMY-LWYCANNGSA-N 318.549 4.287 0 30 DIAC COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12 39633042 WHPKTPOZSKRBHT-UHFFFAOYSA-N 312.756 4.418 0 30 DIAC Cc1cc(C)cc(N2CCC[C@@]2(CO)c2cc(C)cc(C)c2)c1 2265362135 PDWAFURTFDLKET-OAQYLSRUSA-N 309.453 4.408 0 30 DIAC O=C1Nc2ccccc2C1=Cc1cscc1Br 2265239476 XSBZWHMATWICJZ-UHFFFAOYSA-N 306.184 4.003 0 30 DIAC CCCCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 33607682 XDIRDPYCRAUOCD-SNVBAGLBSA-N 305.201 4.494 0 30 DIAC O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F 155333 WFKFRMPJGUSURB-UHFFFAOYSA-N 316.351 4.207 0 30 DIAC CC(=NOCCOc1ccccc1)[C@H]1C[C@@H]1c1ccc(F)cc1 4091551 HPJNVMVOTIKLBE-RTBURBONSA-N 313.372 4.401 0 30 DIAC CSc1ccc(C(=O)[C@H](O)c2ccc(SC)cc2)cc1 34079705 XWGRBLIDRXJFON-OAHLLOKOSA-N 304.436 4.047 0 30 DIAC CCOC(=O)c1c(-c2ccccc2-c2ccccc2)noc1C 39119859 KIWVUACTQXOYRX-UHFFFAOYSA-N 307.349 4.494 0 30 DIAC O=C1OC(=CNc2cccc(C(F)(F)F)c2)c2ccccc21 2265276254 CLJULSVEKMNLNY-UHFFFAOYSA-N 305.255 4.286 0 30 DIAC C[C@H](O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13540520 QAAQQTDJEXMIMF-CLWPLKITSA-N 318.501 4.307 0 30 DIAC O=c1oc(-c2cccc(C(F)(F)F)c2)nc2cccc(F)c12 166433 SIMHBJVDEZVRLT-UHFFFAOYSA-N 309.218 4.013 0 30 DIAC CSc1ccc(C(=O)[C@H]2CC[C@@](C)(C(=O)O)C2(C)C)cc1 5765498 XWTSRBQUGSDXQQ-DYVFJYSZSA-N 306.427 4.118 0 30 DIAC C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)O 245224553 YQACAXHKQZCEOI-VFCLNGDNSA-N 316.441 4.219 0 30 DIAC C[C@H]1CC(C)(C)C[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 74347 YWSVJDGUFNFHIX-SGTLLEGYSA-N 319.832 4.436 0 30 DIAC c1ccc2oc(Nc3ccc(OCCN4CCCC4)cc3)nc2c1 2007749 SCRZNJPRCAVOIK-UHFFFAOYSA-N 323.396 4.046 0 30 DIAC O=C(ON=CC1=C(Cl)c2ccccc2CC1)c1cccs1 254383777 LBXNFPPAQLUPJF-UHFFFAOYSA-N 317.797 4.487 0 30 DIAC CN(C)C1=Cc2cccc3c2[C@]12C=CC1=CCCC(=C12)OPO3 2265364148 JLGFCGMPIJVQNT-LJQANCHMSA-N 323.332 4.302 0 30 DIAC O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1C(=O)O 69365 ZVVBUIBKBHVHHL-UHFFFAOYSA-N 324.258 4.048 0 30 DIAC CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(Cl)cc1 159463 UMVHOYWQCVOYQO-HKUYNNGSSA-N 324.811 4.210 0 30 DIAC biogenic CC(=O)Nc1ccc(CNC[C@H](C)c2cccc(Cl)c2)cc1 187635286 JRQMRVVDJCQDSB-ZDUSSCGKSA-N 316.832 4.192 0 30 DIAC CSc1nc2nccc(C=Cc3ccc(C(C)C)cc3)n2n1 4042338 PPJSEBFLROVBIK-UHFFFAOYSA-N 310.426 4.140 0 30 DIAC C[C@H](Oc1ccc2c(c1)OC(C)(C)C=C2)C(=O)Nc1ccccc1 161159 IHRRDKMAVLUOIE-AWEZNQCLSA-N 323.392 4.277 0 30 DIAC CC(=O)C1=NN(c2ccccc2)[C@@H]2c3cccc4cccc(c34)[C@H]12 4334982 OPLUJDQPTDLYSU-TZIWHRDSSA-N 312.372 4.443 0 30 DIAC CCn1nc(C)cc1C(=O)Sc1ccc(Cl)cc1Cl 121194 QWZBKNHKTYQYRK-UHFFFAOYSA-N 315.225 4.451 0 30 DIAC O=C(NCc1ccc(-c2ccc(F)cc2F)o1)c1ccccc1 142095 KFUXLEGDLVQEIU-UHFFFAOYSA-N 313.303 4.155 0 30 DIAC O=C1S[C@H](C=NOCc2ccc(Cl)cc2)c2ccccc21 254343363 XKRXGSYISDZXLY-OAHLLOKOSA-N 317.797 4.471 0 30 DIAC CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 2265352102 QMCLGDBCODWMRX-VOSWSFSHSA-N 316.441 4.060 0 30 DIAC Nc1ccccc1SCc1cc(Cl)cc2c1OCOC2 138106 AZADNLUYPRNATB-UHFFFAOYSA-N 307.802 4.081 0 30 DIAC N[C@@H](c1ccccc1Br)[C@@H]1C[C@@H]1c1ccccc1 225949835 GWYQSCNWPFVNLT-FMKPAKJESA-N 302.215 4.253 0 30 DIAC CC(C)c1cc(I)ccc1C(F)(F)F 694984144 FJRAPRAUJUAWQT-UHFFFAOYSA-N 314.088 4.433 0 30 DIAC N[C@H](c1ccccc1)[C@H]1C[C@@H]1c1ccc(Br)cc1 1536222105 ZDJWZQRQRKAGMB-OWCLPIDISA-N 302.215 4.253 0 30 DIAC CCCCC(=O)C=C1c2ccccc2C(=O)N1c1ccccc1 12338522 IXRNREDFUULSFD-UHFFFAOYSA-N 305.377 4.447 0 30 DIAC CC(CC(=O)c1nc2ccccc2s1)=NNc1ccccc1 257351555 FUZKQTUYCHZESE-UHFFFAOYSA-N 309.394 4.357 0 30 DIAC COc1ccc2c(c1)C(/C=C/C(C)=C/C(=O)O)=CC(C)(C)CO2 13917028 FVGXANXBVWECQE-BYWGDBCOSA-N 314.381 4.084 0 30 DIAC in-man CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C 38611780 SEQJJASTRQIGNI-QGVNFLHTSA-N 314.469 4.291 0 30 DIAC CC(C)(C)c1ccc(C(=O)NC(=O)Nc2ccccc2)s1 171701 DEIQLKOLVXROEF-UHFFFAOYSA-N 302.399 4.008 0 30 DIAC C[C@H](NCc1ccc(F)cc1)c1ccc(Br)cc1 19943546 WLLFGJFBRCHJOF-NSHDSACASA-N 308.194 4.439 0 30 DIAC O=C(C1CC1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 106717 RJGSCKOJCQHSQB-INIZCTEOSA-N 317.841 4.286 0 30 DIAC S=c1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2[nH]1 159016 BTURGGLGWAFZJF-UHFFFAOYSA-N 319.393 4.222 0 30 DIAC CC(C)Cc1cc2ccccc2c(CC(C)C)c1S(=O)(=O)O 33637545 UTDRFZYLWMKWGN-UHFFFAOYSA-N 320.454 4.484 0 30 DIAC Fc1cc(Br)c(-n2cccc2)c(Br)c1 167276 UJSSQQHLMWAPNU-UHFFFAOYSA-N 318.971 4.141 0 30 DIAC FC(F)(F)c1cc(-c2ccco2)nc2cc(-c3ccco3)nn12 171327 HJXYGCWNWSYIEU-UHFFFAOYSA-N 319.242 4.268 0 30 DIAC C[C@H](CO)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C 26522816 YDGDTMZQDFVDCD-RDGCENLJSA-N 316.441 4.057 0 30 DIAC COc1ccc2cc(CNC[C@H]3Cc4ccccc43)ccc2c1 195651164 RDSIAVNRTGENIQ-LJQANCHMSA-N 303.405 4.278 0 30 DIAC CC(=NOCCOc1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1 4091553 HPJNVMVOTIKLBE-OALUTQOASA-N 313.372 4.401 0 30 DIAC Cc1nc(-c2ccccn2)nc(NCc2ccccc2)c1Cl 35606207 ZIMZZASIQVXNOR-UHFFFAOYSA-N 310.788 4.113 0 30 DIAC O=C(Nc1ccc(F)cc1)c1cccnc1Oc1ccccc1 1036324 AWFHFGVGTBHVPI-UHFFFAOYSA-N 308.312 4.265 0 30 DIAC CCCCN[C@@H](C)C(=O)N(CCCC)c1c(C)cccc1C 33875163 FRTNLSMKXBYECR-KRWDZBQOSA-N 304.478 4.215 0 30 DIAC CSc1ccncc1C(=O)Nc1cc(Cl)cc(Cl)c1 78563 CIJKNJKAZJJHNG-UHFFFAOYSA-N 313.209 4.363 0 30 DIAC CC(C)(C)OC(=O)C(C)(C)Sc1ccc(C(F)(F)F)cn1 132094 HCAJTXBFKXVZTI-UHFFFAOYSA-N 321.364 4.313 0 30 DIAC Cc1nc(C)c(-c2ccnc(C34CC5CC(CC(C5)C3)C4)n2)o1 4389663 BIRYFGPAKWWFBU-UHFFFAOYSA-N 309.413 4.216 0 30 DIAC CCCC[C@@H](C(=O)Nc1c(C)cccc1Cl)N1CCCC1 33875428 JSFKACIDDOTYLB-HNNXBMFYSA-N 308.853 4.242 0 30 DIAC C/C=C(/c1c[nH]c2ccc(Br)cc12)[C@H]1CCCN1C 214474258 YUKWMQJHZUWJDM-WAVALHSVSA-N 319.246 4.428 0 30 DIAC CSc1sc(Br)c2c1C(=O)CC(C)(C)C2 4350045 CDEAGQCULNYHDQ-UHFFFAOYSA-N 305.262 4.388 0 30 DIAC CC(C)(C)c1cc(C(C)(C)C)n(-c2cnc3ccccc3n2)n1 112984 UAWZGSSZEJHWJY-UHFFFAOYSA-N 308.429 4.411 0 30 DIAC CC(C)c1nc(CN(C)Cc2csc(C(C)C)n2)cs1 1138887516 BUEKOLHNTUVYDE-UHFFFAOYSA-N 309.504 4.478 0 30 DIAC CC(C)c1ccc(NC[C@H](O)CSc2ccccc2)cc1 74206 BIEAYQPEGOMCSZ-KRWDZBQOSA-N 301.455 4.375 0 30 DIAC CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 3872507 KDPQTPZDVJHMET-SOAMZJECSA-N 312.409 4.037 0 30 DIAC biogenic,in-vitro O[C@@]1(CCc2ccccc2)CCCC[C@@H]1NCc1ccccc1 217363868 SIRCJSKNUSLOCR-LEWJYISDSA-N 309.453 4.083 0 30 DIAC O=C(CSc1cccs1)Nc1ccc(F)c(Cl)c1 124993 LEQHXJSUCMLXAJ-UHFFFAOYSA-N 301.795 4.271 0 30 DIAC CCCCCC[n+]1ccccc1C=Cc1ccc2c(c1)OCO2 2265279715 ZENXWCHEIUILPV-UHFFFAOYSA-N 310.417 4.454 0 30 DIAC CC(=O)NC1C[C@@H](C2CCCCC2)O[C@H](C2CCCCC2)C1 44137378 RDROZMXLWOJMJZ-OALUTQOASA-N 307.478 4.199 0 30 DIAC O=C(Nc1ccc2sccc2c1)c1cccc2nsnc12 12340969 KHCACIPWIITSJI-UHFFFAOYSA-N 311.391 4.158 0 30 DIAC c1ccc(C2N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 19321003 VJWNWMOGJOGCRF-PMACEKPBSA-N 300.405 4.361 0 30 DIAC Cc1cc(C(F)(F)F)nc2cc(-c3ccc(Cl)cc3)nn12 124720 IBUWEERARHZDIY-UHFFFAOYSA-N 311.694 4.377 0 30 DIAC FC(F)(F)Oc1ccc(Br)c(C(F)(F)F)c1 307985002 RVQQZBLDIMREHY-UHFFFAOYSA-N 309.003 4.367 0 30 DIAC O=C1Nc2cc(Cl)ccc2C1=Cc1cc(C(F)(F)F)ccn1 2265279511 CNARNKKZZVBQFU-UHFFFAOYSA-N 324.689 4.247 0 30 DIAC O=C1c2ccccc2SCc2cccc(Br)c21 225382719 WHCMJMGCAWGAAN-UHFFFAOYSA-N 305.196 4.286 0 30 DIAC CC(=O)Nc1cc(-c2sc3ccc(Cl)cc3c2C)n[nH]1 172402 MQZNXXUGSIEUAS-UHFFFAOYSA-N 305.790 4.212 0 30 DIAC Cc1ccc(-n2c(C)nc3cc(Cl)ccc3c2=O)cc1Cl 67146 YLAIRXKUIFGJDS-UHFFFAOYSA-N 319.191 4.309 0 30 DIAC CSc1cccc(NC(=S)NCc2ccc(F)cc2)c1 69384 MSUOGUDXBBJXGF-UHFFFAOYSA-N 306.431 4.034 0 30 DIAC CCCC[C@@H](CC)CNC(C)(C)COC(=O)c1ccc(N)cc1 1995947 SJLHLXQNKNOACS-OAHLLOKOSA-N 320.477 4.010 0 30 DIAC Cc1c(F)c(Br)cc(C2OCC(C)(C)CO2)c1F 95933587 OFIWSIDRKXLXAD-UHFFFAOYSA-N 321.161 4.107 0 30 DIAC O=C1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1 618017281 LRLUBDWIOHGFNT-UHFFFAOYSA-N 308.356 4.143 0 30 DIAC C[C@]12CC[C@@H]3c4c(Cl)cc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 5764415 CKBZCMHPOSSDAN-PEEYHIECSA-N 306.833 4.263 0 30 DIAC COP(OC[C@@H]1C[C@H]2C=C[C@H]1C2)OC[C@@H]1C[C@H]2C=C[C@H]1C2 111420975 GRHMZHVDKFWUNS-UYLCUJDWSA-N 308.358 4.317 0 30 DIAC O=C(CCCCCCCCCCN1CCCC1)N1CCCC1 33611178 OSBBKIWWPCSOKN-UHFFFAOYSA-N 308.510 4.216 0 30 DIAC N=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 138506 IBGXLNPDTUGYNQ-UHFFFAOYSA-N 324.236 4.305 0 30 DIAC N#Cc1c2ccccc2cn1-c1cc(C(F)(F)F)ccc1N 223757183 LWHWASSAAAFDBJ-UHFFFAOYSA-N 301.271 4.103 0 30 DIAC CCOC(=O)c1c(C)csc1NC(=O)c1ccccc1Cl 80443 YJYGIRFJHIMFHK-UHFFFAOYSA-N 323.801 4.139 0 30 DIAC Clc1cc2nccc(Cl)c2cc1I 199772629 PYNGKLKHYXFYRP-UHFFFAOYSA-N 323.948 4.146 0 30 DIAC Cc1ccc(Sc2ncccc2-c2nnc(C3CC3)o2)cc1 119289 CAYFQZOKEBVOJC-UHFFFAOYSA-N 309.394 4.469 0 30 DIAC Nc1cc(C(F)(F)F)ccc1N1CCC(C(F)(F)F)CC1 126897 QTBDURJFYHOORY-UHFFFAOYSA-N 312.257 4.066 0 30 DIAC COc1ccc(NC(=O)c2cccs2)cc1OC1CCCC1 119557 ODDYKEAPRZEHJO-UHFFFAOYSA-N 317.410 4.330 0 30 DIAC C[C@@H](Sc1c(-c2ccccc2)[nH]c2ccccc12)c1nn[nH]n1 5751756 BQCWYQWISABPQK-LLVKDONJSA-N 321.409 4.201 0 30 DIAC CCCSC(=S)c1c(C)nn(-c2ccc(C)cc2)c1O 100384233 SWDGNIJLNOIDAU-UHFFFAOYSA-N 306.456 4.013 0 30 DIAC Cc1ccc(NC(=O)c2cccnc2Cl)cc1C(F)(F)F 49956736 BKHJEEZCGXYBRW-UHFFFAOYSA-N 314.694 4.315 0 30 DIAC CCc1ccccc1OCOCOCOc1ccccc1CC 38648243 VTBHDXAWHDYYGW-UHFFFAOYSA-N 316.397 4.175 0 30 DIAC CC(C)(C)c1ccc(C=CC(=O)NCc2ccc(F)cc2)cc1 2265239626 GDTZBONKVKGENM-UHFFFAOYSA-N 311.400 4.453 0 30 DIAC CCC1(C)CC(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C1 3119546 MVXHRJGWECQYND-UHFFFAOYSA-N 300.185 4.063 0 30 DIAC C[C@@H](C[C@]12C[C@H]3C[C@H](C[C@](C[C@H](C)N(C)C)(C3)C1)C2)N(C)C 2265381388 MAUPEEOLISTDHT-YDRVBMSGSA-N 306.538 4.253 0 30 DIAC O[C@@](CCc1ccccc1)(CCN1CCCCC1)c1ccccc1 4141806 GQPXHWUIIKRGPJ-QFIPXVFZSA-N 323.480 4.383 0 30 DIAC O=C1/C(=C/c2cc3c4c(c2)CCCN4CCC3)Cc2ccccc21 38633346 YVWGLGCGEKNNSV-CPNJWEJPSA-N 315.416 4.208 0 30 DIAC COC(=O)CCCCCCCC(=O)Nc1ccc(Cl)cc1 3138733 IMELATCSRIKJEV-UHFFFAOYSA-N 311.809 4.182 0 30 DIAC CN(C)C(=S)SN(C1CCCCC1)C1CCCCC1 5957372 NOMIJAKZQLPTDV-UHFFFAOYSA-N 300.537 4.449 0 30 DIAC COC(=O)CCc1ccccc1CC1=Cc2ccccc2CC1 32157657 PXOUPDJSKGWHPE-UHFFFAOYSA-N 306.405 4.365 0 30 DIAC O=C(Nc1cccc2ccccc12)NC1Cc2ccccc2C1 171417 DJJQLLJWAWMXSP-UHFFFAOYSA-N 302.377 4.129 0 30 DIAC O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc2O1 82332 GZJYYTDPEQCUOZ-HNNXBMFYSA-N 321.298 4.038 0 30 DIAC O=C1Cc2ccc(F)cc2C[C@@H]1C1=Cc2ccc(F)cc2CC1 100243321 BYJRDEVKOGEWIX-LJQANCHMSA-N 310.343 4.279 0 30 DIAC CC(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(Cl)cc1 12369644 TVAKMUSYDBTMEJ-UHFFFAOYSA-N 307.802 4.208 0 30 DIAC c1csc(-c2nc(-c3ccc(-c4ccno4)s3)no2)c1 12368979 PLRWRIRVZHLCER-UHFFFAOYSA-N 301.352 4.182 0 30 DIAC COc1ccc2c(c1)C=C([N+](=O)[O-])[C@H](c1ccccc1Cl)O2 2001762 VPJVBBAMWDOBIZ-INIZCTEOSA-N 317.728 4.100 0 30 DIAC O=C(Nc1ccccc1)O[C@H](Cc1ccccc1)C(F)(F)F 109414 PXVKTDIVWPZIKC-CQSZACIVSA-N 309.287 4.409 0 30 DIAC O=C(C[C@@H]1OC(=O)c2ccccc21)c1cc(Cl)ccc1Cl 98449 LFCDQZLQKOFSPV-HNNXBMFYSA-N 321.159 4.478 0 30 DIAC O=C1Nc2ccccc2/C1=C/c1ccc(Oc2ccccc2)nc1 13469154 ZIACMHDMPIRIEN-ATVHPVEESA-N 314.344 4.367 0 30 DIAC Cc1nc(-c2nnc(SCc3ccccc3Cl)o2)cs1 121021 MNBXAFIKSNEOFK-UHFFFAOYSA-N 323.830 4.447 0 30 DIAC O=C(Nc1ccccc1Cl)c1cnccc1C(F)(F)F 4382990 ATXIYRPQJUANGG-UHFFFAOYSA-N 300.667 4.006 0 30 DIAC COc1cc(Cc2ccc(CCc3ccccc3)o2)ccc1O 31169593 FQYPVFASDPWNIJ-UHFFFAOYSA-N 308.377 4.370 0 30 DIAC biogenic,in-vitro O=C(C=Cc1cccc2ccccc12)NCc1ccc(F)cc1 2265235827 ZMAYDKVLSYWYEM-UHFFFAOYSA-N 305.352 4.309 0 30 DIAC CC(CC(=O)c1ccccc1F)CC(=O)c1ccccc1F 584880266 SUFYTBNABDLABW-UHFFFAOYSA-N 302.320 4.447 0 30 DIAC Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1 67154 REMSCYSCVLMSET-UHFFFAOYSA-N 305.164 4.001 0 30 DIAC CC1(C)CCc2c(cc(O)c3c2O[C@@H](c2ccccc2)CC3=O)O1 301054810 KYNSYTYYFQFDCV-MRXNPFEDSA-N 324.376 4.202 0 30 DIAC biogenic CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2cccnc2)cc1 99482 QFTXYQMEDDHYRK-KRWDZBQOSA-N 312.438 4.158 0 30 DIAC O=C(Nc1c(Cl)ncc2ccccc12)c1cccnc1Cl 39176173 HJCPFBIJZZKHCK-UHFFFAOYSA-N 318.163 4.189 0 30 DIAC CC(=O)C1=NN(c2ccccc2)[C@H]2c3cccc4cccc(c34)[C@@H]12 4334983 OPLUJDQPTDLYSU-FPOVZHCZSA-N 312.372 4.443 0 30 DIAC COc1cc(O)c2c(c1)CCc1c-2ccc(O)c1CC=C(C)C 13480629 RXGNSLYFKVUHDD-UHFFFAOYSA-N 310.393 4.381 0 30 DIAC biogenic CC(C)C[C@H](C)OC(=O)COc1ccc(Cl)cc1Cl 33611236 ZBLQQEZPADHJIF-JTQLQIEISA-N 305.201 4.350 0 30 DIAC CC(C)c1nc([C@@H]2CCCCCN2C(=O)OC(C)(C)C)no1 95348280 PRVHOQRNAFZMQL-LBPRGKRZSA-N 309.410 4.045 0 30 DIAC in-vitro N[C@H](c1ccccc1)[C@H]1C[C@H]1c1ccc(Br)cc1 1536222104 ZDJWZQRQRKAGMB-HRCADAONSA-N 302.215 4.253 0 30 DIAC C[C@H](O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265352086 QAAQQTDJEXMIMF-LWYMYGHISA-N 318.501 4.307 0 30 DIAC N#CNC(=O)CCCCCCCCCCCCCCC(=O)O 141639896 ABNIGPNEZSHYJY-UHFFFAOYSA-N 310.438 4.130 0 30 DIAC COc1ccc2[nH]c(C(=O)Nc3nc4ccccc4s3)cc2c1 114547 QAEMTMUJMKNASA-UHFFFAOYSA-N 323.377 4.039 0 30 DIAC COc1cc(-c2cc(OC)c(C)cc2OC)c(OC)cc1C 163123 SIOPNRTXPDDOHV-UHFFFAOYSA-N 302.370 4.005 0 30 DIAC CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2122288 YLFRRPUBVUAHSR-OYDVVICCSA-N 314.469 4.435 0 30 DIAC biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 105103806 QMCLGDBCODWMRX-OWNFYUOCSA-N 316.441 4.060 0 30 DIAC O=C(CC(=O)c1cc(Cl)ccc1O)c1ccc(Cl)cc1 100353072 YJZNGKAQSOSJCA-UHFFFAOYSA-N 309.148 4.155 0 30 DIAC O=c1ccc2ccc(/C=C/c3ccc4ccc(=O)oc4c3)cc2o1 141975793 YYGLUBNQTUJNTP-OWOJBTEDSA-N 316.312 4.070 0 30 DIAC I[C@@]12CCC[C@@](c3ccccc3)(CC1)C2 1044001 IHRONXYXLVUSPE-KGLIPLIRSA-N 312.194 4.466 0 30 DIAC Fc1cccc(F)c1-c1nc(-c2cccc(-n3cccc3)c2)no1 150582 WYKLRHCTYDASCC-UHFFFAOYSA-N 323.302 4.473 0 30 DIAC CC(C)CC[C@H](OC(=O)CCC(=O)O)c1ccc(Cl)cc1 95876243 IJVMXOZKWHUACE-AWEZNQCLSA-N 312.793 4.225 0 30 DIAC Nc1ccc(C(c2ccc(N)cc2)C(Cl)(Cl)Cl)cc1 1733628 TYYIOZHLPIBQCJ-UHFFFAOYSA-N 315.631 4.353 0 30 DIAC Clc1ccc2nc(-c3ccc(Cl)s3)c(Cl)n2n1 21299411 BKFQPHFPGRTGPB-UHFFFAOYSA-N 304.589 4.418 0 30 DIAC O=C(Cc1cccc(-c2ccccc2)c1)NCCc1ccccc1 40435140 UXWSQDFAFHKXLG-UHFFFAOYSA-N 315.416 4.255 0 30 DIAC COc1ccc(-c2cc3nnc(-c4ccccc4)nc3s2)cc1 134132 NCPMGOXPOHLXNY-UHFFFAOYSA-N 319.389 4.429 0 30 DIAC O=c1ccc(C=Cc2ccccc2)nn1Cc1ccccc1Cl 2265276543 WNRYAVFIIOQNJU-UHFFFAOYSA-N 322.795 4.115 0 30 DIAC CC(C)(C)Cc1nc(Br)sc1Br 2265385268 YYRPHUVJOJMLNY-UHFFFAOYSA-N 313.058 4.257 0 30 DIAC O=C(NC=Cc1ccccc1Cl)NCc1cccc(Cl)c1 1388889 RHGVEMVAIYDCFM-UHFFFAOYSA-N 321.207 4.464 0 30 DIAC C[C@H](CO)[C@H]1CC[C@@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@@]21C 26522812 YDGDTMZQDFVDCD-ILCCUAOLSA-N 316.441 4.057 0 30 DIAC Cc1c(C)c(C)c(CN2C(=O)c3ccccc3C2=O)c(C)c1C 136758 NBQDUYHXANYCAX-UHFFFAOYSA-N 307.393 4.025 0 30 DIAC COc1cc(OC)cc(C(C)(C)OC(=O)Oc2ccccc2)c1 2511776 SWALYNJQIGGEAW-UHFFFAOYSA-N 316.353 4.155 0 30 DIAC O=C1OC(=CNc2ccc(OC(F)(F)F)cc2)c2ccccc21 2265279365 HWZVAGRGLOKRIB-UHFFFAOYSA-N 321.254 4.166 0 30 DIAC Cc1ccc2c(c1)c1c(n2CCN(C)C)-c2ccccc2OCC1 2007986 GMCMXQVOFGRICB-UHFFFAOYSA-N 320.436 4.113 0 30 DIAC CCc1ccc2[nH]c(C(=O)N(C)c3ccc(F)cc3F)cc2c1 171601 FEFWPRDPBYSKLH-UHFFFAOYSA-N 314.335 4.285 0 30 DIAC C[C@@H]1N(CC(=O)c2ccccc2)CCC[C@@]1(C)c1cccc(O)c1 1999515 XMSWGYQEWPUOKA-HRAATJIYSA-N 323.436 4.017 0 30 DIAC in-man O=C(ON=C1CCCc2occc21)c1cccc(Cl)c1Cl 254668096 MLQMSLGDVHFYOH-UHFFFAOYSA-N 324.163 4.484 0 30 DIAC N[C@H](c1ccccc1)[C@@H]1C[C@H]1c1ccccc1Br 1536221791 CGOHIGWGKPRKKI-SQWLQELKSA-N 302.215 4.253 0 30 DIAC Cc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccccc2)no1 110016 DVVFUZHKPZNPGU-UHFFFAOYSA-N 316.364 4.206 0 30 DIAC CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCCCC1 155276 SFXPNCFNCAIWAV-UHFFFAOYSA-N 316.323 4.382 0 30 DIAC O=C(N[C@@H](CCN1CCCCC1)c1ccccc1)c1ccccc1 2000217 LFWBLDXRNPQFIF-FQEVSTJZSA-N 322.452 4.034 0 30 DIAC Cc1ccc([C@H](C)OC(=O)[C@]2(C)CC[C@@H](C(=O)O)C2(C)C)cc1 11616429 KRWZVKRKTWCYPR-RFUYNDQBSA-N 318.413 4.126 0 30 DIAC in-man S=C(Nc1ccc(C2CCCCC2)cc1)N1CCSCC1 172814 BBKSTEBVWZWJEH-UHFFFAOYSA-N 320.527 4.480 0 30 DIAC Cc1ccc(C2=Nc3ccccc3C(=O)C2(Cl)Cl)cc1 39124042 SEJBWULUMBDXHW-UHFFFAOYSA-N 304.176 4.486 0 30 DIAC COc1cc(Br)c(CNc2ccccc2)cc1OC 173947 FBBNDRPFZQXFPE-UHFFFAOYSA-N 322.202 4.078 0 30 DIAC CCCCN1[C@@H](C)CCC[C@H]1C(=O)N(C)c1ccccc1C 55167514 AMUZIOYYLICJKU-WMZOPIPTSA-N 302.462 4.001 0 30 DIAC O[C@H](c1ccc(Br)cc1)C1(c2ccccc2)CC1 61618414 AOZQKHGORLDUNY-OAHLLOKOSA-N 303.199 4.214 0 30 DIAC CCCCC[C@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)O 12496465 CQSLTKIXAJTQGA-BEBBCNLGSA-N 314.466 4.050 0 30 DIAC endogenous,in-man CC1(C)CCC2=C1C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@@]21C 4217171 ALFAUJVLIRDQGD-MMTROXRISA-N 300.442 4.189 0 30 DIAC in-man CCOC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 5854731 UHYJTDLWNOQAFE-LBPRGKRZSA-N 317.212 4.068 0 30 DIAC in-vitro Cc1c(OCc2ccccc2F)ccc2c1OC(C)(C)CC2=O 83268 MVWYITLUVDREOM-UHFFFAOYSA-N 314.356 4.457 0 30 DIAC FC(F)(F)c1cccc(-c2nnc(S)n2-c2ccccc2)c1 2523435 AKDGCFQCHKGAJF-UHFFFAOYSA-N 321.327 4.242 0 30 DIAC CCCCCCOC(=O)COc1ccc(Cl)cc1Cl 34120179 OXMFKAXXVZLYAE-UHFFFAOYSA-N 305.201 4.496 0 30 DIAC O=C(C[C@@H]1CCCC[C@@H]1C(=O)O)c1cccc(C(F)(F)F)c1 2579652 ZPIWCRNJAWHXTF-GWCFXTLKSA-N 314.303 4.169 0 30 DIAC Cc1cc(C)c2nc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1 172958 HZVWHOOFLSTABH-UHFFFAOYSA-N 319.282 4.491 0 30 DIAC Nc1ccc(C(=O)OCc2ccccc2)cc1Oc1ccccc1 142442209 NWQJRGVNDOSLHC-UHFFFAOYSA-N 319.360 4.418 0 30 DIAC C[C@H](C(=O)O)C1CCC(c2ccnc3ccc(F)cc23)CC1 1083814971 XDZXXZVCXUTECU-HIFPTAJRSA-N 301.361 4.368 0 30 DIAC CNc1nccc(C(F)(F)F)c1C(=O)Nc1c(C)cccc1C 20458669 WBOBWHHPOPVLDK-UHFFFAOYSA-N 323.318 4.011 0 30 DIAC C[C@@H](NCc1ccc(F)cc1)c1ccccc1Br 19943708 ANQDFBWVERZZIF-LLVKDONJSA-N 308.194 4.439 0 30 DIAC O=C(c1ccc(Cl)cc1)c1c(Cl)cc(CO)cc1Cl 162538 MHYSTUJBOQTTDW-UHFFFAOYSA-N 315.583 4.370 0 30 DIAC Cc1ccc2c(=O)c3cccc(Br)c3oc2c1C 148799622 VHNBEPKDBMMDES-UHFFFAOYSA-N 303.155 4.326 0 30 DIAC CCCCOc1ccc(C(=O)CCN2CCCCCC2)cc1 3068310 FEMKAXDOHJXFEF-UHFFFAOYSA-N 303.446 4.314 0 30 DIAC Cc1ccc([C@H](C)OC(=O)[C@@]2(C)CC[C@H](C(=O)O)C2(C)C)cc1 5781685 KRWZVKRKTWCYPR-ZBQZNYHESA-N 318.413 4.126 0 30 DIAC in-man C[C@H](O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2265352084 QAAQQTDJEXMIMF-GCNHBNHWSA-N 318.501 4.307 0 30 DIAC C[C@@H]1CN(c2nc3c(Cl)cc(Cl)cc3s2)C[C@@H](C)O1 105868 FFVLNQJCQNJHDD-HTQZYQBOSA-N 317.241 4.217 0 30 DIAC Clc1cccc(Cl)c1-c1noc(CN2CCCCC2)n1 115077 NPLVBOXATNWWCU-UHFFFAOYSA-N 312.200 4.029 0 30 DIAC Cc1cnc2c(Br)ccc(Br)c2c1 2265385198 OZHINLZSBQPABD-UHFFFAOYSA-N 300.981 4.068 0 30 DIAC Cc1noc(C)c1-c1nnc(-c2cccc(C(F)(F)F)c2)o1 112310 WORFONPZVINQGX-UHFFFAOYSA-N 309.247 4.027 0 30 DIAC Cc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2o1 172218 DGBNPVGFUMBWKN-UHFFFAOYSA-N 320.270 4.407 0 30 DIAC CC(=O)c1ccccc1OC(=O)c1c(Cl)cccc1Cl 139917 QXFLPCXOINADSH-UHFFFAOYSA-N 309.148 4.415 0 30 DIAC C[C@H](O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27432719 QAAQQTDJEXMIMF-FNUNUKEPSA-N 318.501 4.307 0 30 DIAC in-vitro COc1ccc(C)cc1NC(=O)c1cc(C(C)(C)C)oc1C 114573 IBIBQWJAOPVHFL-UHFFFAOYSA-N 301.386 4.455 0 30 DIAC FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3)s2)c1 136739 JNTIXRRETDBVPT-UHFFFAOYSA-N 322.315 4.363 0 30 DIAC Brc1cccc(-c2cnn(Cc3ccccc3)c2)c1 94575944 LXGPMMYRBZFNEG-UHFFFAOYSA-N 313.198 4.361 0 30 DIAC N#Cc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl 205556034 PKFUGULRTUHNGC-UHFFFAOYSA-N 306.074 4.070 0 30 DIAC CC(C)(C)c1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 68983 KFKFNVZAQIXXDZ-KRWDZBQOSA-N 307.393 4.031 0 30 DIAC CC(C)Cc1ccc(C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 103872 UKEYLPPMLGZPLC-IBGZPJMESA-N 308.377 4.370 0 30 DIAC CCCCCCC#CCC#CCC#CCC#CCCCC(=O)O 100073185 UEJNSDDZSLEWPA-UHFFFAOYSA-N 310.437 4.396 0 30 DIAC COc1ccc(C(C)=O)cc1COc1ccc(Cl)c(C)c1 137768 JYCIAPZPVCQSNP-UHFFFAOYSA-N 304.773 4.439 0 30 DIAC CC[C@@]12CCN(CC3CCC3)[C@@H](Cc3ccc(O)cc31)C2(C)C 1481760 IUUBFDSJJHOTDI-PZJWPPBQSA-N 313.485 4.497 0 30 DIAC in-man CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 15204621 KDPQTPZDVJHMET-FTEYMNFISA-N 312.409 4.037 0 30 DIAC biogenic O=C(O)CCc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 38614532 DMSFJOJDCOKKTR-UHFFFAOYSA-N 301.729 4.165 0 30 DIAC Clc1cc(Cl)cc(-c2nnc(Br)s2)c1 71051180 MOVIEUVVVKRZHC-UHFFFAOYSA-N 310.003 4.274 0 30 DIAC in-vitro O=C(NCc1csc2ccccc12)c1ccc(Cl)cc1 69452 XWAPDMUXBBJCLF-UHFFFAOYSA-N 301.798 4.485 0 30 DIAC FC(F)(F)c1cnc(NN=Cc2cccs2)c(Cl)c1 254567514 WQMLFEXRQCTTFX-UHFFFAOYSA-N 305.712 4.261 0 30 DIAC CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 256454736 QTVNPWWLYMFLEI-PTDVTHDLSA-N 314.469 4.435 0 30 DIAC CCCC[C@]1(Cc2ccccc2)C(=O)Nc2ccccc2C1=O 3958066 IBWJDUSJMNJWNJ-HXUWFJFHSA-N 307.393 4.241 0 30 DIAC Nc1ccccc1NC(=S)Nc1ccccc1C(F)(F)F 71590 RIOWPMBWAKHKFP-UHFFFAOYSA-N 311.332 4.097 0 30 DIAC Cc1noc(C)c1NC(=O)NC(c1ccccc1)c1ccccc1 1034921 UJDUXGBDTJJWAI-UHFFFAOYSA-N 321.380 4.203 0 30 DIAC c1csc(-c2csc(-c3ccc4c(c3)OCCO4)n2)c1 105596 KFBFNYGGPCRFRI-UHFFFAOYSA-N 301.392 4.310 0 30 DIAC CC(C)c1nc([C@H]2CCCCCN2C(=O)OC(C)(C)C)no1 95348281 PRVHOQRNAFZMQL-GFCCVEGCSA-N 309.410 4.045 0 30 DIAC in-vitro Cn1nc(C2CC2)cc1NC(=O)Nc1csc2ccccc12 154197 IYLAYFSWQOFNKA-UHFFFAOYSA-N 312.398 4.156 0 30 DIAC CC(C)[C@@H](N)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 59428678 ONAIHTVWYKLCMF-OAHLLOKOSA-N 305.462 4.153 0 30 DIAC O=C(CC(=O)c1cc(Cl)cc(Cl)c1O)c1ccccc1 2574016 BXDHAIRAJOLANA-UHFFFAOYSA-N 309.148 4.155 0 30 DIAC CCN(CC)CCOC(=O)C1(c2ccc(C)c(C)c2)CCCC1 4216881 PZXHGLCYRMTHNF-UHFFFAOYSA-N 317.473 4.000 0 30 DIAC in-man CC(=O)O[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 34051899 VXLFALUFNAMMNJ-ZCFIWIBFSA-N 300.198 4.348 0 30 DIAC Cc1csc2sc(C(=O)CC(=O)C(F)(F)F)c(C)c12 100378246 PSBOUGLMMMITRO-UHFFFAOYSA-N 306.330 4.284 0 30 DIAC CN(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](N)CC[C@H]32)C1 2265352105 QODUFPZHGDTSMY-LWWSSTOXSA-N 318.549 4.287 0 30 DIAC Cc1ccc(F)cc1NC(=O)CCn1cc(C)c2ccccc21 119607 MRLQIVOLPQZEQM-UHFFFAOYSA-N 310.372 4.426 0 30 DIAC CC(C)(C)OC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 170463 LUCOOIKUESBPIP-UHFFFAOYSA-N 312.369 4.286 0 30 DIAC C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 5723088 YWYQTGBBEZQBGO-OQOYYRQQSA-N 320.517 4.387 0 30 DIAC in-vitro Fc1cccc(F)c1[C@H](NCc1ccccc1)C(F)(F)F 95347660 FKPQJKKMTPXEIG-AWEZNQCLSA-N 301.258 4.358 0 30 DIAC Brc1cc2c3c(n[nH]c3c1)Nc1ccccc1O2 150178307 RCVSNQLXPLWOSF-UHFFFAOYSA-N 302.131 4.175 0 30 DIAC CC(C)(c1ccccc1)[C@H](O)c1ccc(Br)cc1 40243331 WFSJBKPYYXFBGO-OAHLLOKOSA-N 305.215 4.460 0 30 DIAC CC(=O)C1=NN(c2ccccc2)[C@@H]2c3cccc4cccc(c34)[C@@H]12 4334984 OPLUJDQPTDLYSU-PZJWPPBQSA-N 312.372 4.443 0 30 DIAC Cc1cc(NC(=O)NCc2sccc2C)c(C(F)(F)F)o1 148060 IXHXRVIEVRWEIU-UHFFFAOYSA-N 318.320 4.298 0 30 DIAC COc1ccc(OC(=O)c2cccnc2Oc2ccccc2)cc1 150735 SSSPUHLGQAJJHL-UHFFFAOYSA-N 321.332 4.102 0 30 DIAC CCOC(=O)/C=C/CCc1ccc(OCc2ccccc2)cc1 72267276 MXBNLBXZJLQZDR-YRNVUSSQSA-N 310.393 4.318 0 30 DIAC